smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000128502989 806767160 /nfs/dbraw/zinc/76/71/60/806767160.db2.gz JNUDQWADLJXPOJ-RKDXNWHRSA-N -1 0 252.270 2.424 20 5 CEBDRM O=C([O-])[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000693029134 802553420 /nfs/dbraw/zinc/55/34/20/802553420.db2.gz ZRJGVEWWUHXJLW-LJGSYFOKSA-N -1 0 254.217 2.009 20 5 CEBDRM Cc1cccc(N[C@H]2CC=C(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000694984500 803602050 /nfs/dbraw/zinc/60/20/50/803602050.db2.gz HZQQCMGHAMDGHN-JTQLQIEISA-N -1 0 262.265 2.489 20 5 CEBDRM O=C([O-])C1CC(Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000703458852 809650912 /nfs/dbraw/zinc/65/09/12/809650912.db2.gz QEUHZZXQJNNPHV-UHFFFAOYSA-N -1 0 254.217 2.009 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000119364760 810771055 /nfs/dbraw/zinc/77/10/55/810771055.db2.gz HLDIBULGBFPPBC-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=c1cc(CNc2cc([N+](=O)[O-])cc3cc[nH]c32)o[n-]1 ZINC001169485753 811538521 /nfs/dbraw/zinc/53/85/21/811538521.db2.gz YXDMLUGZRUBJIB-UHFFFAOYSA-N -1 0 274.236 2.382 20 5 CEBDRM Nc1ccc(O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174507967 816031306 /nfs/dbraw/zinc/03/13/06/816031306.db2.gz SRLIXXMKPMKJBS-UHFFFAOYSA-N -1 0 289.247 2.324 20 5 CEBDRM CCn1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176672635 816452371 /nfs/dbraw/zinc/45/23/71/816452371.db2.gz PJZBZHYLJOSBKJ-UHFFFAOYSA-N -1 0 276.252 2.253 20 5 CEBDRM O=C([O-])c1cc(Nc2ccnn2CCF)cc([N+](=O)[O-])c1 ZINC001176678227 816454157 /nfs/dbraw/zinc/45/41/57/816454157.db2.gz MQNXRQPXEXCCNV-UHFFFAOYSA-N -1 0 294.242 2.203 20 5 CEBDRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141909576 816597170 /nfs/dbraw/zinc/59/71/70/816597170.db2.gz KIHJTQMXBJBYRA-TZMCWYRMSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001178183557 816694897 /nfs/dbraw/zinc/69/48/97/816694897.db2.gz ZYNCSDJGPBWKOZ-CZULRBLNSA-N -1 0 276.292 2.075 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CSCC2 ZINC000601938676 346933599 /nfs/dbraw/zinc/93/35/99/346933599.db2.gz HWXGCVIKTLWDOC-VIFPVBQESA-N -1 0 291.332 2.359 20 5 CEBDRM COCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000601940169 346934287 /nfs/dbraw/zinc/93/42/87/346934287.db2.gz PMLVLHQJYLOBTG-UHFFFAOYSA-N -1 0 277.280 2.032 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000601941538 346935386 /nfs/dbraw/zinc/93/53/86/346935386.db2.gz CUPFQSFLMTZVHG-QMMMGPOBSA-N -1 0 263.228 2.237 20 5 CEBDRM C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000038000092 343433149 /nfs/dbraw/zinc/43/31/49/343433149.db2.gz QSSVROSQTWQGQC-QMMMGPOBSA-N -1 0 250.254 2.282 20 5 CEBDRM CCCN(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000044422049 343471580 /nfs/dbraw/zinc/47/15/80/343471580.db2.gz HQCRYHCOGTUNQD-UHFFFAOYSA-N -1 0 299.258 2.062 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000567948365 299100640 /nfs/dbraw/zinc/10/06/40/299100640.db2.gz BWORYLNISFLYBM-RKDXNWHRSA-N -1 0 282.271 2.311 20 5 CEBDRM C[C@H](F)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567984710 299105350 /nfs/dbraw/zinc/10/53/50/299105350.db2.gz ZITGOBFIYRLKNZ-QMMMGPOBSA-N -1 0 270.260 2.382 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000048567688 362286083 /nfs/dbraw/zinc/28/60/83/362286083.db2.gz WFKGQEBMGOZCAA-MRVPVSSYSA-N -1 0 250.254 2.139 20 5 CEBDRM CCOC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000091676336 344170171 /nfs/dbraw/zinc/17/01/71/344170171.db2.gz PXERQDMNZYHPEF-UHFFFAOYSA-N -1 0 280.324 2.301 20 5 CEBDRM C[C@]1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCS1 ZINC000162460895 344467556 /nfs/dbraw/zinc/46/75/56/344467556.db2.gz GIEDUTQHMQHUPX-GFCCVEGCSA-N -1 0 297.336 2.386 20 5 CEBDRM C[C@@H]1CCC[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162422742 344467560 /nfs/dbraw/zinc/46/75/60/344467560.db2.gz GBSXTJAEZAYBHI-APPZFPTMSA-N -1 0 265.269 2.289 20 5 CEBDRM Cc1ccnc(NCC2(C(=O)[O-])CCCC2)c1[N+](=O)[O-] ZINC000165375083 344474450 /nfs/dbraw/zinc/47/44/50/344474450.db2.gz SBMJSDHZJMILBK-UHFFFAOYSA-N -1 0 279.296 2.355 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CCOCC1 ZINC000165972361 344475498 /nfs/dbraw/zinc/47/54/98/344475498.db2.gz LOYHOESGOSHXOQ-UHFFFAOYSA-N -1 0 294.307 2.197 20 5 CEBDRM O=C([O-])C1(CNc2ncc([N+](=O)[O-])s2)CCCC1 ZINC000226764507 344551583 /nfs/dbraw/zinc/55/15/83/344551583.db2.gz MVXTXJBYQVZIHB-UHFFFAOYSA-N -1 0 271.298 2.108 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164007495 530007801 /nfs/dbraw/zinc/00/78/01/530007801.db2.gz ITASFGKHSNPRHR-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000313262859 344741763 /nfs/dbraw/zinc/74/17/63/344741763.db2.gz ZCURUFMIUILBOD-QMMMGPOBSA-N -1 0 286.234 2.218 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000323907810 344753627 /nfs/dbraw/zinc/75/36/27/344753627.db2.gz RCPYHFYQMLIQEZ-CYBMUJFWSA-N -1 0 278.308 2.465 20 5 CEBDRM CC[C@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000592420537 345351441 /nfs/dbraw/zinc/35/14/41/345351441.db2.gz IDWPITCURIKAFP-VIFPVBQESA-N -1 0 266.253 2.073 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccncc2)c([N+](=O)[O-])c1 ZINC000105565116 232194276 /nfs/dbraw/zinc/19/42/76/232194276.db2.gz UHEOLQCTBHFCFK-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000593326490 345467045 /nfs/dbraw/zinc/46/70/45/345467045.db2.gz FMOFXVVLMHHQHG-GFCCVEGCSA-N -1 0 289.291 2.442 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC12CCCC2 ZINC000593761103 345533956 /nfs/dbraw/zinc/53/39/56/345533956.db2.gz XOFCSRHOKBPPOR-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000594545017 345645271 /nfs/dbraw/zinc/64/52/71/345645271.db2.gz FXPGMHJNOIMKNX-LURJTMIESA-N -1 0 290.222 2.329 20 5 CEBDRM CC(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C(=O)[O-] ZINC000594540664 345645415 /nfs/dbraw/zinc/64/54/15/345645415.db2.gz HMUYIKBBIOQKGJ-JTQLQIEISA-N -1 0 293.323 2.332 20 5 CEBDRM C[C@@H]1CCC[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000594737172 345681710 /nfs/dbraw/zinc/68/17/10/345681710.db2.gz XZFJGJBDKFOMJL-SCZZXKLOSA-N -1 0 295.295 2.058 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000598231981 346311400 /nfs/dbraw/zinc/31/14/00/346311400.db2.gz CJEUDYANORHDDQ-SNVBAGLBSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598387980 346344188 /nfs/dbraw/zinc/34/41/88/346344188.db2.gz WBMRIMWCJVERIM-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000601064394 346742427 /nfs/dbraw/zinc/74/24/27/346742427.db2.gz NASPMUWLPGNDJM-XCBNKYQSSA-N -1 0 292.270 2.274 20 5 CEBDRM CCOC(=O)CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000601095176 346751457 /nfs/dbraw/zinc/75/14/57/346751457.db2.gz HDGUOQNWHZWWRE-UHFFFAOYSA-N -1 0 285.321 2.487 20 5 CEBDRM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000611272366 347761865 /nfs/dbraw/zinc/76/18/65/347761865.db2.gz BLXYLQITFVZJFA-UHFFFAOYSA-N -1 0 280.324 2.301 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCSC1 ZINC000362963705 303998848 /nfs/dbraw/zinc/99/88/48/303998848.db2.gz ORTDFRYCFTYOOE-QMMMGPOBSA-N -1 0 282.321 2.382 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCC2(O)CCC2)c1 ZINC000568767332 299152055 /nfs/dbraw/zinc/15/20/55/299152055.db2.gz OYJAJNXOMLUAKT-UHFFFAOYSA-N -1 0 294.307 2.400 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1OC/C=C(/C)C(=O)[O-] ZINC000088629620 179644515 /nfs/dbraw/zinc/64/45/15/179644515.db2.gz WVNYIBCHOCOVEG-YVMONPNESA-N -1 0 267.237 2.013 20 5 CEBDRM COCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000569124913 299183267 /nfs/dbraw/zinc/18/32/67/299183267.db2.gz YTIGBGLEMPYDOP-UHFFFAOYSA-N -1 0 268.269 2.050 20 5 CEBDRM CC[C@H](C)CON=c1[n-]cc(C(=O)OC)cc1[N+](=O)[O-] ZINC000292009132 198134081 /nfs/dbraw/zinc/13/40/81/198134081.db2.gz ZFGCRSJHTLTRMC-QMMMGPOBSA-N -1 0 283.284 2.166 20 5 CEBDRM CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000271565736 191215672 /nfs/dbraw/zinc/21/56/72/191215672.db2.gz QSNJDJWWVFGRHK-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CCCN(CC(=O)[O-])c1cccc(OCC)c1[N+](=O)[O-] ZINC000134883370 366367195 /nfs/dbraw/zinc/36/71/95/366367195.db2.gz HVFCJANEOOPVBZ-UHFFFAOYSA-N -1 0 282.296 2.295 20 5 CEBDRM CSCCCN(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570931665 299286847 /nfs/dbraw/zinc/28/68/47/299286847.db2.gz ZDSBITCNCVWGQC-UHFFFAOYSA-N -1 0 299.352 2.186 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(C2CCC2)C1 ZINC000341395336 215952349 /nfs/dbraw/zinc/95/23/49/215952349.db2.gz ZDNIBTJQPVPYFK-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C([O-])CCCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148378306 366581252 /nfs/dbraw/zinc/58/12/52/366581252.db2.gz RTWWKOJDMGXERG-UHFFFAOYSA-N -1 0 273.676 2.310 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000571330294 299304458 /nfs/dbraw/zinc/30/44/58/299304458.db2.gz HMAZDKXDTXILFD-VHSXEESVSA-N -1 0 279.296 2.272 20 5 CEBDRM CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000180105576 189237376 /nfs/dbraw/zinc/23/73/76/189237376.db2.gz MYPJFMZMASQIRN-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000180784050 189275114 /nfs/dbraw/zinc/27/51/14/189275114.db2.gz PCIGNDMAAFPCDO-UHFFFAOYSA-N -1 0 256.645 2.302 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633477 304114614 /nfs/dbraw/zinc/11/46/14/304114614.db2.gz ZFZZLCXNSIRUJW-NSHDSACASA-N -1 0 284.699 2.297 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356607123 370771987 /nfs/dbraw/zinc/77/19/87/370771987.db2.gz ZNNHGKXNXVZELD-VIFPVBQESA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000156471584 366834170 /nfs/dbraw/zinc/83/41/70/366834170.db2.gz DRZPOKFHTLFVTB-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM COc1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000097066078 364437618 /nfs/dbraw/zinc/43/76/18/364437618.db2.gz MZGPDHYMKIRLAA-BDAKNGLRSA-N -1 0 280.280 2.269 20 5 CEBDRM O=C([O-])[C@H]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000097065564 364438121 /nfs/dbraw/zinc/43/81/21/364438121.db2.gz IZROVTUCLZWKPT-DTWKUNHWSA-N -1 0 250.254 2.260 20 5 CEBDRM CC[C@@H](Sc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000097824114 364521153 /nfs/dbraw/zinc/52/11/53/364521153.db2.gz XUODOTPXAZPNMU-SNVBAGLBSA-N -1 0 293.304 2.493 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000062133022 304122799 /nfs/dbraw/zinc/12/27/99/304122799.db2.gz JRTGBRIRZUQAIO-SNVBAGLBSA-N -1 0 287.275 2.054 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160117810 366974616 /nfs/dbraw/zinc/97/46/16/366974616.db2.gz AGMRATALJZNYAH-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM COC(C)(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000174185127 367995292 /nfs/dbraw/zinc/99/52/92/367995292.db2.gz VSRONGQQTOFYKB-VIFPVBQESA-N -1 0 296.323 2.234 20 5 CEBDRM CO[C@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000343878017 368055008 /nfs/dbraw/zinc/05/50/08/368055008.db2.gz OPUIBYQUWJGIAX-ONGXEEELSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(Cc1cccc(O)c1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182090470 368523874 /nfs/dbraw/zinc/52/38/74/368523874.db2.gz FMGOGDLMQNWGCT-UHFFFAOYSA-N -1 0 288.259 2.187 20 5 CEBDRM CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000346333903 368640054 /nfs/dbraw/zinc/64/00/54/368640054.db2.gz WFUOCSDZTWKQCW-MWLCHTKSSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cscn1 ZINC000183912652 368657933 /nfs/dbraw/zinc/65/79/33/368657933.db2.gz ADZFDVHNGJBYQB-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2nccn2c1 ZINC000186024242 368907490 /nfs/dbraw/zinc/90/74/90/368907490.db2.gz ARZNFBLQECODPU-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000187477891 369166659 /nfs/dbraw/zinc/16/66/59/369166659.db2.gz IXEMZFOBZIIKKY-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])co1 ZINC000188923457 369428753 /nfs/dbraw/zinc/42/87/53/369428753.db2.gz JUJOESDNZXPDBH-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM COCCCCc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350647218 369562090 /nfs/dbraw/zinc/56/20/90/369562090.db2.gz RDXBCINOINXXNA-UHFFFAOYSA-N -1 0 293.279 2.320 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCOC2)c1 ZINC000211893764 370164357 /nfs/dbraw/zinc/16/43/57/370164357.db2.gz IGIZNPHRUMPKCA-SECBINFHSA-N -1 0 280.280 2.132 20 5 CEBDRM Cn1cnc2cc(Nc3ncc([N+](=O)[O-])cn3)ccc21 ZINC000354583437 370421150 /nfs/dbraw/zinc/42/11/50/370421150.db2.gz WAOAPKGOKLGTFX-UHFFFAOYSA-N -1 0 270.252 2.015 20 5 CEBDRM CCN(CC1CC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233452032 370519534 /nfs/dbraw/zinc/51/95/34/370519534.db2.gz LJIBXAJRQRLRDW-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@H]1[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1(F)F ZINC000361662644 372014058 /nfs/dbraw/zinc/01/40/58/372014058.db2.gz QYYABQYLIBTBPB-SSDLBLMSSA-N -1 0 272.207 2.140 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269286811 372408363 /nfs/dbraw/zinc/40/83/63/372408363.db2.gz NVSFAHDSRAOTJJ-PELKAZGASA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OC ZINC000362977115 372601464 /nfs/dbraw/zinc/60/14/64/372601464.db2.gz OSNIMSYPBUROJY-ZANVPECISA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000270902851 373008460 /nfs/dbraw/zinc/00/84/60/373008460.db2.gz SPRUWONITPJUFO-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274702779 374017589 /nfs/dbraw/zinc/01/75/89/374017589.db2.gz QMSBSXNEMDHKLJ-SECBINFHSA-N -1 0 266.297 2.417 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(C1)CCCC2 ZINC000372364073 374106873 /nfs/dbraw/zinc/10/68/73/374106873.db2.gz DYQPGLKTLFLXLD-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C([O-])[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444683 304187746 /nfs/dbraw/zinc/18/77/46/304187746.db2.gz WSKQIHVBDHHPGI-SNVBAGLBSA-N -1 0 284.699 2.297 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000380715149 375165555 /nfs/dbraw/zinc/16/55/55/375165555.db2.gz XXFVFRBQCCADES-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CC(F)(F)C2)n1 ZINC000383257350 375200117 /nfs/dbraw/zinc/20/01/17/375200117.db2.gz LFWWDYSIHCABNW-UHFFFAOYSA-N -1 0 287.222 2.145 20 5 CEBDRM COC1(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCC1 ZINC000387074310 375270854 /nfs/dbraw/zinc/27/08/54/375270854.db2.gz RHJNAKKFSUYAMS-UHFFFAOYSA-N -1 0 295.295 2.059 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000062132957 304192455 /nfs/dbraw/zinc/19/24/55/304192455.db2.gz LDAJPGHYCYPODX-ZETCQYMHSA-N -1 0 270.672 2.159 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@H]1C ZINC000416319520 376037934 /nfs/dbraw/zinc/03/79/34/376037934.db2.gz HXRIZXAPPMIALE-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C(=O)[O-])C(C)C)n1 ZINC000416398486 376058965 /nfs/dbraw/zinc/05/89/65/376058965.db2.gz MQVKTPAWIGUMME-VIFPVBQESA-N -1 0 267.285 2.128 20 5 CEBDRM O=C([O-])c1c(-c2cccc([N+](=O)[O-])c2)nc2n1CCCC2 ZINC000565238116 377622093 /nfs/dbraw/zinc/62/20/93/377622093.db2.gz MXNBINOCOFGKCO-UHFFFAOYSA-N -1 0 287.275 2.493 20 5 CEBDRM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000281677109 195332696 /nfs/dbraw/zinc/33/26/96/195332696.db2.gz UGBDJECVSAUAKH-RKDXNWHRSA-N -1 0 292.291 2.244 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)[C@H]1C ZINC000416325502 395055362 /nfs/dbraw/zinc/05/53/62/395055362.db2.gz YOXUPGLAYURNNO-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM CCN(CC)C(=O)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436473807 395120060 /nfs/dbraw/zinc/12/00/60/395120060.db2.gz IIVLWJHNKXGGLJ-UHFFFAOYSA-N -1 0 298.364 2.402 20 5 CEBDRM Cc1noc(C)c1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433932277 395260315 /nfs/dbraw/zinc/26/03/15/395260315.db2.gz QNDBIXGIUONRFU-UHFFFAOYSA-N -1 0 293.283 2.298 20 5 CEBDRM CCC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000192224024 395377100 /nfs/dbraw/zinc/37/71/00/395377100.db2.gz ZEFBVKGJQQKWMF-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000194739433 395447423 /nfs/dbraw/zinc/44/74/23/395447423.db2.gz VOLHBLRSUVVYPR-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(=O)c1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000446423829 395492507 /nfs/dbraw/zinc/49/25/07/395492507.db2.gz AHQPOAHRSOFQSK-UHFFFAOYSA-N -1 0 290.231 2.348 20 5 CEBDRM CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000263246422 154042628 /nfs/dbraw/zinc/04/26/28/154042628.db2.gz SGJPFMYNWKPFNM-AWEZNQCLSA-N -1 0 294.307 2.195 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCCCC(=O)[O-] ZINC000263423575 154083970 /nfs/dbraw/zinc/08/39/70/154083970.db2.gz QHXJZGAMSKODTG-UHFFFAOYSA-N -1 0 268.269 2.018 20 5 CEBDRM CC(C)[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000263492302 154105040 /nfs/dbraw/zinc/10/50/40/154105040.db2.gz IUVWHBJANXEPFG-QMMMGPOBSA-N -1 0 296.308 2.121 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(CCC2(F)F)C1 ZINC000359523806 155042450 /nfs/dbraw/zinc/04/24/50/155042450.db2.gz CHSMFIPECWBUOR-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM CSCCCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000281215753 414848779 /nfs/dbraw/zinc/84/87/79/414848779.db2.gz DXLHUEZODKBZAV-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000044747684 175242983 /nfs/dbraw/zinc/24/29/83/175242983.db2.gz HTWOXRCPGWOMDF-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1cccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000221014588 260143708 /nfs/dbraw/zinc/14/37/08/260143708.db2.gz WLVJHZBWJXEGSQ-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=c1[n-]c(Sc2ccc3ncccc3c2[N+](=O)[O-])n[nH]1 ZINC000192750519 270280055 /nfs/dbraw/zinc/28/00/55/270280055.db2.gz CJCHXZHCGKYRFF-UHFFFAOYSA-N -1 0 289.276 2.118 20 5 CEBDRM CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])s1)C(=O)[O-] ZINC000226763920 278990132 /nfs/dbraw/zinc/99/01/32/278990132.db2.gz NREDVTZMGIUWMR-ZETCQYMHSA-N -1 0 273.314 2.210 20 5 CEBDRM CCc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000153791109 289122990 /nfs/dbraw/zinc/12/29/90/289122990.db2.gz SCMLMUJYDXOSOE-UHFFFAOYSA-N -1 0 290.279 2.147 20 5 CEBDRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458151695 289885378 /nfs/dbraw/zinc/88/53/78/289885378.db2.gz XUCKGOSIPQEITH-OCCSQVGLSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000408409734 304526086 /nfs/dbraw/zinc/52/60/86/304526086.db2.gz CELHIOVLBHCUDJ-GXSJLCMTSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1cc(CN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)no1 ZINC000554530164 298511059 /nfs/dbraw/zinc/51/10/59/298511059.db2.gz WUQSHMLWMOYFTO-UHFFFAOYSA-N -1 0 291.263 2.226 20 5 CEBDRM C[C@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000565718539 298918943 /nfs/dbraw/zinc/91/89/43/298918943.db2.gz NUSAUHVVNGIGEZ-CQSZACIVSA-N -1 0 294.307 2.060 20 5 CEBDRM CC[C@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000567391150 299060209 /nfs/dbraw/zinc/06/02/09/299060209.db2.gz UMPYYABOZARKAZ-ZJUUUORDSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(N2CCC[C@@H]2C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000311827184 301335900 /nfs/dbraw/zinc/33/59/00/301335900.db2.gz KUEGOUCIRNFTEC-SECBINFHSA-N -1 0 268.244 2.096 20 5 CEBDRM CC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000514863795 313059686 /nfs/dbraw/zinc/05/96/86/313059686.db2.gz VIGBUMBVTSASSO-LURJTMIESA-N -1 0 272.688 2.482 20 5 CEBDRM Cc1cc(N(C)[C@@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000564658691 313772868 /nfs/dbraw/zinc/77/28/68/313772868.db2.gz KDHGFXVHMUYGRP-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM COC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000570634835 314050169 /nfs/dbraw/zinc/05/01/69/314050169.db2.gz LAHFDRJTUSBJSV-JTQLQIEISA-N -1 0 297.311 2.079 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000571981312 314114349 /nfs/dbraw/zinc/11/43/49/314114349.db2.gz UGZBJCRLZCWDKY-DLRQAJBASA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(CC(=O)[O-])CC2)n1 ZINC000579129324 314552924 /nfs/dbraw/zinc/55/29/24/314552924.db2.gz TWSNGYICJMUETA-UHFFFAOYSA-N -1 0 293.323 2.298 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000580567549 322327354 /nfs/dbraw/zinc/32/73/54/322327354.db2.gz CWOIPJLKQFPEDE-VHSXEESVSA-N -1 0 282.271 2.311 20 5 CEBDRM CC[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000582847129 322507365 /nfs/dbraw/zinc/50/73/65/322507365.db2.gz AWXXRHSJIALAIE-KOLCDFICSA-N -1 0 294.307 2.297 20 5 CEBDRM COc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000583934424 326801083 /nfs/dbraw/zinc/80/10/83/326801083.db2.gz FQSKFBFFBDVBGY-GXSJLCMTSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCO1 ZINC000211939577 326866589 /nfs/dbraw/zinc/86/65/89/326866589.db2.gz WFCCTWIAWJKRQM-ZDUSSCGKSA-N -1 0 280.280 2.274 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000020006430 329074421 /nfs/dbraw/zinc/07/44/21/329074421.db2.gz GDBKGTBXFYJYQX-KWQFWETISA-N -1 0 295.295 2.216 20 5 CEBDRM Cc1nc(N[C@H](CCC(C)(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000416436734 534498138 /nfs/dbraw/zinc/49/81/38/534498138.db2.gz DXINZVGGCCHJKV-SECBINFHSA-N -1 0 296.327 2.385 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000740090618 574440971 /nfs/dbraw/zinc/44/09/71/574440971.db2.gz FORZCFFBUYYEFV-NSHDSACASA-N -1 0 279.296 2.458 20 5 CEBDRM C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000737704919 574452679 /nfs/dbraw/zinc/45/26/79/574452679.db2.gz OFEOWCKDYPCHDZ-HTQZYQBOSA-N -1 0 299.304 2.092 20 5 CEBDRM O=C(OC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000727634935 574453849 /nfs/dbraw/zinc/45/38/49/574453849.db2.gz RQKDTWZZEIYNNR-SECBINFHSA-N -1 0 250.254 2.436 20 5 CEBDRM CC(C)(CC(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000738737703 574875834 /nfs/dbraw/zinc/87/58/34/574875834.db2.gz UIBSQWULUWCKOJ-UHFFFAOYSA-N -1 0 296.279 2.074 20 5 CEBDRM C[C@@H](NC(=O)[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000739017704 574889449 /nfs/dbraw/zinc/88/94/49/574889449.db2.gz RBZGEHCPLBYNLS-SNVBAGLBSA-N -1 0 293.323 2.467 20 5 CEBDRM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)N1C(=O)[O-] ZINC000739190560 574898705 /nfs/dbraw/zinc/89/87/05/574898705.db2.gz ODNOISIFUZOCGI-GHMZBOCLSA-N -1 0 293.323 2.167 20 5 CEBDRM C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739190483 574898801 /nfs/dbraw/zinc/89/88/01/574898801.db2.gz NLJIMXVXSNUTLI-QWRGUYRKSA-N -1 0 293.323 2.167 20 5 CEBDRM O=C([O-])c1cc(NC(=O)CC2CC2)cc([N+](=O)[O-])c1 ZINC000739219900 574900443 /nfs/dbraw/zinc/90/04/43/574900443.db2.gz XJXRRUNIGFYVLQ-UHFFFAOYSA-N -1 0 264.237 2.032 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCC1CCN(C(=O)[O-])CC1 ZINC000740095562 574941981 /nfs/dbraw/zinc/94/19/81/574941981.db2.gz COYLOXWLXCFBMB-UHFFFAOYSA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])c1cc(OCc2cccnc2)ccc1[N+](=O)[O-] ZINC000236479719 600440091 /nfs/dbraw/zinc/44/00/91/600440091.db2.gz LLUNEKXOCPMGED-UHFFFAOYSA-N -1 0 274.232 2.267 20 5 CEBDRM Cc1ccnc(S[C@@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000090098767 600624950 /nfs/dbraw/zinc/62/49/50/600624950.db2.gz IOHOLTDDJIYMPM-ZETCQYMHSA-N -1 0 256.283 2.254 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000828634636 601133626 /nfs/dbraw/zinc/13/36/26/601133626.db2.gz VBGLWTHHWGQXSG-ZDUSSCGKSA-N -1 0 298.270 2.107 20 5 CEBDRM CCOc1cc(N2C[C@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000223793348 601562780 /nfs/dbraw/zinc/56/27/80/601562780.db2.gz OHKIMPRKJDTJTO-ONGXEEELSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000825280789 604055373 /nfs/dbraw/zinc/05/53/73/604055373.db2.gz LJWLDLJKBWXHOS-QWRGUYRKSA-N -1 0 293.323 2.467 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000830434028 604057110 /nfs/dbraw/zinc/05/71/10/604057110.db2.gz YPSQTDJJDPGLIM-SECBINFHSA-N -1 0 295.295 2.088 20 5 CEBDRM Cc1cc(N2CCC[C@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830086230 605342697 /nfs/dbraw/zinc/34/26/97/605342697.db2.gz ZGVRAZWXSZHVNM-NSHDSACASA-N -1 0 279.296 2.140 20 5 CEBDRM O=C([O-])N1CC[C@@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000831888882 605480890 /nfs/dbraw/zinc/48/08/90/605480890.db2.gz LYOYEFUFBJKARA-MRVPVSSYSA-N -1 0 283.309 2.082 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])s1 ZINC000825846007 605482555 /nfs/dbraw/zinc/48/25/55/605482555.db2.gz RUCZZICYCNMASH-SFYZADRCSA-N -1 0 285.325 2.281 20 5 CEBDRM O=C([O-])N[C@@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000834150483 605921969 /nfs/dbraw/zinc/92/19/69/605921969.db2.gz NMXBHRSZXKXUJF-JTQLQIEISA-N -1 0 265.269 2.053 20 5 CEBDRM O=C([O-])N[C@@H](CNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000834151327 605923639 /nfs/dbraw/zinc/92/36/39/605923639.db2.gz SXIJKCIWBUJUMY-QMMMGPOBSA-N -1 0 271.298 2.114 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000834110649 605991522 /nfs/dbraw/zinc/99/15/22/605991522.db2.gz ZVJATCSMMCCRPQ-ZETCQYMHSA-N -1 0 271.298 2.211 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000834101783 605993554 /nfs/dbraw/zinc/99/35/54/605993554.db2.gz ADLXYMCVDRGXFF-ZETCQYMHSA-N -1 0 271.298 2.211 20 5 CEBDRM CS[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075178484 625286641 /nfs/dbraw/zinc/28/66/41/625286641.db2.gz WKZZFJBDGQRHRA-VHSXEESVSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000312385881 628249873 /nfs/dbraw/zinc/24/98/73/628249873.db2.gz NBBMJPNUZIRIDQ-QMMMGPOBSA-N -1 0 286.234 2.443 20 5 CEBDRM CC1(C)CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[n-]2)O1 ZINC000792028131 629472544 /nfs/dbraw/zinc/47/25/44/629472544.db2.gz AZIGSLDZJUOSMS-QMMMGPOBSA-N -1 0 268.269 2.037 20 5 CEBDRM O=C(O[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000802223360 631404486 /nfs/dbraw/zinc/40/44/86/631404486.db2.gz RCOGRWIAOYWSNB-SNVBAGLBSA-N -1 0 273.248 2.162 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(CC2CC2)cc1=O ZINC000899350067 632799846 /nfs/dbraw/zinc/79/98/46/632799846.db2.gz SKCPTCPUGNYTMY-UHFFFAOYSA-N -1 0 289.291 2.496 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000900401739 633703347 /nfs/dbraw/zinc/70/33/47/633703347.db2.gz XJSOUCUYVBECLF-VHSXEESVSA-N -1 0 294.282 2.281 20 5 CEBDRM Cc1cc(N(C)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910346312 638010333 /nfs/dbraw/zinc/01/03/33/638010333.db2.gz QUCDILXYHGNGPY-UHFFFAOYSA-N -1 0 250.254 2.200 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000911733060 638397228 /nfs/dbraw/zinc/39/72/28/638397228.db2.gz OFLSRCQOXKRUOK-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM C[C@@]1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCOC1 ZINC000837621333 639312296 /nfs/dbraw/zinc/31/22/96/639312296.db2.gz HLHFOSWXLGUFCQ-CQSZACIVSA-N -1 0 295.291 2.160 20 5 CEBDRM CC(F)(F)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837667859 639334170 /nfs/dbraw/zinc/33/41/70/639334170.db2.gz JZBLDDQFEIGRIK-UHFFFAOYSA-N -1 0 275.207 2.389 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])cc1F ZINC000044619493 639348035 /nfs/dbraw/zinc/34/80/35/639348035.db2.gz SJKHOWJUDHCQAP-SECBINFHSA-N -1 0 256.233 2.033 20 5 CEBDRM CCON(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000844077375 640595213 /nfs/dbraw/zinc/59/52/13/640595213.db2.gz HZVWXHFXLBEYHF-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM CCCO[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000844079700 640596634 /nfs/dbraw/zinc/59/66/34/640596634.db2.gz IAYYFSPMYHZDGU-UHFFFAOYSA-N -1 0 270.310 2.145 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](C)CC(=O)[O-] ZINC000844217937 640634743 /nfs/dbraw/zinc/63/47/43/640634743.db2.gz HLBSPEUAWZXKMO-MRVPVSSYSA-N -1 0 280.280 2.320 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000844220069 640634761 /nfs/dbraw/zinc/63/47/61/640634761.db2.gz ZYEUWSBVGIEDFB-CABZTGNLSA-N -1 0 294.307 2.041 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CCC1 ZINC000852913380 643597087 /nfs/dbraw/zinc/59/70/87/643597087.db2.gz RXPJKLUPECBKTH-UHFFFAOYSA-N -1 0 292.291 2.464 20 5 CEBDRM CC(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000755109104 644471721 /nfs/dbraw/zinc/47/17/21/644471721.db2.gz FPCXYUVGRGKEQI-UHFFFAOYSA-N -1 0 288.259 2.483 20 5 CEBDRM O=C(Cc1ccccc1[N+](=O)[O-])[N-]Oc1ccccc1 ZINC000773464461 646742990 /nfs/dbraw/zinc/74/29/90/646742990.db2.gz HMWNYBNTJHFEDB-UHFFFAOYSA-N -1 0 272.260 2.248 20 5 CEBDRM O=C(NOC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779321079 647311213 /nfs/dbraw/zinc/31/12/13/647311213.db2.gz VBKAHMGIEHHTAQ-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM O=C(Nn1cnc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000130332764 652242484 /nfs/dbraw/zinc/24/24/84/652242484.db2.gz RSKLJTVWWDUHTN-UHFFFAOYSA-N -1 0 298.258 2.034 20 5 CEBDRM Cc1ccc(N[C@@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000133437122 806898789 /nfs/dbraw/zinc/89/87/89/806898789.db2.gz ZDMLYRDNLRQTEV-IUCAKERBSA-N -1 0 252.270 2.424 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000693429768 802908622 /nfs/dbraw/zinc/90/86/22/802908622.db2.gz JVTACEGSLCLEAX-PSASIEDQSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC000694986579 803602731 /nfs/dbraw/zinc/60/27/31/803602731.db2.gz QFBAXEIWWBCKJU-JTQLQIEISA-N -1 0 262.265 2.489 20 5 CEBDRM Cc1cccc(NC2CC(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000703427135 809651476 /nfs/dbraw/zinc/65/14/76/809651476.db2.gz VUOKBYWDOQNCFT-UHFFFAOYSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])c1ccc(NCCc2cncs2)cc1[N+](=O)[O-] ZINC001169868528 811697409 /nfs/dbraw/zinc/69/74/09/811697409.db2.gz QIELFLQKMRFBIP-UHFFFAOYSA-N -1 0 293.304 2.404 20 5 CEBDRM Cc1ncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1C ZINC001176675480 816454216 /nfs/dbraw/zinc/45/42/16/816454216.db2.gz ZNPQPRNBTAWGSP-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM Cc1ccnnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673285 816454275 /nfs/dbraw/zinc/45/42/75/816454275.db2.gz VUDOQACFBRNLFL-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM Nc1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1[N+](=O)[O-] ZINC001141767746 816585671 /nfs/dbraw/zinc/58/56/71/816585671.db2.gz QITKDGGYQCYKEC-UHFFFAOYSA-N -1 0 291.238 2.274 20 5 CEBDRM CCCC[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000035095557 361809667 /nfs/dbraw/zinc/80/96/67/361809667.db2.gz NEYXWJYFRGGDSQ-LLVKDONJSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C([O-])C1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000037563239 361905128 /nfs/dbraw/zinc/90/51/28/361905128.db2.gz UGHIZSLDLPTSON-UHFFFAOYSA-N -1 0 298.320 2.030 20 5 CEBDRM O=C([O-])CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000037754762 361930077 /nfs/dbraw/zinc/93/00/77/361930077.db2.gz IOKKTUGTGSZGDK-UHFFFAOYSA-N -1 0 264.159 2.110 20 5 CEBDRM CSC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000601691509 346879904 /nfs/dbraw/zinc/87/99/04/346879904.db2.gz KUZHLNOOJCGHOJ-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@@H](C1CC1)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601936216 346932202 /nfs/dbraw/zinc/93/22/02/346932202.db2.gz BBJYUAIQUXGJGI-VIFPVBQESA-N -1 0 273.292 2.330 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1C(=O)[O-] ZINC000044749826 343477240 /nfs/dbraw/zinc/47/72/40/343477240.db2.gz HYZISFFPSNYAJZ-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM CC[C@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)OC ZINC000567977958 299103507 /nfs/dbraw/zinc/10/35/07/299103507.db2.gz RWGRSZGCOCMPTK-SNVBAGLBSA-N -1 0 282.296 2.438 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000567978833 299103922 /nfs/dbraw/zinc/10/39/22/299103922.db2.gz UECBRRLLGSSYRC-AOOOYVTPSA-N -1 0 291.307 2.089 20 5 CEBDRM CCC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000093508457 344225939 /nfs/dbraw/zinc/22/59/39/344225939.db2.gz CPTVNPQSWOSSBO-ZDUSSCGKSA-N -1 0 280.324 2.301 20 5 CEBDRM Cc1cc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000092254073 344181928 /nfs/dbraw/zinc/18/19/28/344181928.db2.gz VGBWTZUVAVUHLI-UHFFFAOYSA-N -1 0 277.280 2.229 20 5 CEBDRM CCCN1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546173 344194494 /nfs/dbraw/zinc/19/44/94/344194494.db2.gz PHLZZUPQLVQKJK-LBPRGKRZSA-N -1 0 293.323 2.113 20 5 CEBDRM CCOc1cc(N2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044829 344270284 /nfs/dbraw/zinc/27/02/84/344270284.db2.gz YFTZYSCKJDXLJJ-SNVBAGLBSA-N -1 0 294.307 2.437 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3)no2)cc1[O-] ZINC000116134025 344285536 /nfs/dbraw/zinc/28/55/36/344285536.db2.gz VAWYCWJBAASKJX-UHFFFAOYSA-N -1 0 284.231 2.412 20 5 CEBDRM CC(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000127173131 344328517 /nfs/dbraw/zinc/32/85/17/344328517.db2.gz QYXOWZAIHJCVEI-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000133723951 344370294 /nfs/dbraw/zinc/37/02/94/344370294.db2.gz ISBXZUHOCIKHIU-SNVBAGLBSA-N -1 0 294.307 2.295 20 5 CEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000134981627 344379367 /nfs/dbraw/zinc/37/93/67/344379367.db2.gz JBAOGUAUJWBTIM-JTQLQIEISA-N -1 0 293.323 2.317 20 5 CEBDRM Cc1ccc(NC(=O)NC2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000165024795 344473327 /nfs/dbraw/zinc/47/33/27/344473327.db2.gz HAOKBFBIQZEROF-UHFFFAOYSA-N -1 0 293.279 2.032 20 5 CEBDRM CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000229369861 344567109 /nfs/dbraw/zinc/56/71/09/344567109.db2.gz CQNOOAFFYPZEDG-SSDOTTSWSA-N -1 0 270.310 2.456 20 5 CEBDRM CCC1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000232985732 344580658 /nfs/dbraw/zinc/58/06/58/344580658.db2.gz OQMAOMXXVLTCLL-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM CC(C)[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000323907812 344753747 /nfs/dbraw/zinc/75/37/47/344753747.db2.gz RCPYHFYQMLIQEZ-ZDUSSCGKSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000097065325 185520099 /nfs/dbraw/zinc/52/00/99/185520099.db2.gz OVKNQACYPPDFHP-SFYZADRCSA-N -1 0 295.251 2.168 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000592419525 345351101 /nfs/dbraw/zinc/35/11/01/345351101.db2.gz LFCSRKULGDQNHF-UHFFFAOYSA-N -1 0 270.310 2.347 20 5 CEBDRM Cc1cc(N2CC=CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969223 345417051 /nfs/dbraw/zinc/41/70/51/345417051.db2.gz IGJGEIVEIHXSGF-UHFFFAOYSA-N -1 0 262.265 2.368 20 5 CEBDRM Cc1cc(N[C@@H]2CCC[C@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969269 345417304 /nfs/dbraw/zinc/41/73/04/345417304.db2.gz PAQQXOFROUEGLN-KOLCDFICSA-N -1 0 294.307 2.317 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000592980707 345418464 /nfs/dbraw/zinc/41/84/64/345418464.db2.gz XFTHOXOSPNDYFY-MWLCHTKSSA-N -1 0 293.323 2.154 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000593834364 345543849 /nfs/dbraw/zinc/54/38/49/345543849.db2.gz ILUKYLUEDSUPDS-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C([O-])c1cnc(N2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000594734745 345681119 /nfs/dbraw/zinc/68/11/19/345681119.db2.gz DMCRAFTYLSVQAV-SECBINFHSA-N -1 0 297.286 2.264 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](CC(=O)[O-])C1CC1 ZINC000594736600 345682093 /nfs/dbraw/zinc/68/20/93/345682093.db2.gz SVCFUIYWTQAZDE-JTQLQIEISA-N -1 0 296.327 2.032 20 5 CEBDRM O=C(Nc1ccc2[nH]cnc2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351642150 219161312 /nfs/dbraw/zinc/16/13/12/219161312.db2.gz TYLYUJLVHQTUCE-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000595975214 345919510 /nfs/dbraw/zinc/91/95/10/345919510.db2.gz NLHAWTSIPSVDRR-VIFPVBQESA-N -1 0 297.286 2.210 20 5 CEBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000597445212 346186877 /nfs/dbraw/zinc/18/68/77/346186877.db2.gz SMOQHLXEFJIOOL-RNCFNFMXSA-N -1 0 294.307 2.444 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000061834888 362691717 /nfs/dbraw/zinc/69/17/17/362691717.db2.gz BGXZQUJPWDEEGQ-QMMMGPOBSA-N -1 0 280.280 2.343 20 5 CEBDRM CC1CC(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000598777772 346417857 /nfs/dbraw/zinc/41/78/57/346417857.db2.gz ADJPCXMPSQCHJC-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM CC1CC(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000598778467 346418430 /nfs/dbraw/zinc/41/84/30/346418430.db2.gz QZELPDZELNOUPG-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000062874351 362728227 /nfs/dbraw/zinc/72/82/27/362728227.db2.gz YHCFAJUSUAALLB-CYBMUJFWSA-N -1 0 264.281 2.286 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000598910542 346433354 /nfs/dbraw/zinc/43/33/54/346433354.db2.gz UTYATCDHICEYAF-SSDOTTSWSA-N -1 0 286.234 2.076 20 5 CEBDRM CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)OCC ZINC000600175614 346615224 /nfs/dbraw/zinc/61/52/24/346615224.db2.gz RZSCTLSEJKWJQV-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(C1CC1)C1CC1 ZINC000600358045 346635462 /nfs/dbraw/zinc/63/54/62/346635462.db2.gz DPGFQKWYLBDLLI-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1CN=c1[n-]nc([C@H]2C[C@H]2C)o1 ZINC000601064880 346742375 /nfs/dbraw/zinc/74/23/75/346742375.db2.gz SFYKXIFQCDFFQO-SKDRFNHKSA-N -1 0 288.307 2.444 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1C1CC1 ZINC000611555929 347793925 /nfs/dbraw/zinc/79/39/25/347793925.db2.gz NAPACKLSEWEDCN-CYBMUJFWSA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000339350830 215113722 /nfs/dbraw/zinc/11/37/22/215113722.db2.gz GFJAORUVRXFTKC-VIFPVBQESA-N -1 0 287.275 2.438 20 5 CEBDRM COCCN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130387846 365951457 /nfs/dbraw/zinc/95/14/57/365951457.db2.gz UPAFLXQKFMAMSB-UHFFFAOYSA-N -1 0 296.323 2.045 20 5 CEBDRM Cc1cnc(NC[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000090691786 180024491 /nfs/dbraw/zinc/02/44/91/180024491.db2.gz HOJRBYOYCOOJBJ-VIFPVBQESA-N -1 0 267.285 2.067 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000339790440 215339665 /nfs/dbraw/zinc/33/96/65/215339665.db2.gz CEDBBLODNHTJLO-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000069971819 363016706 /nfs/dbraw/zinc/01/67/06/363016706.db2.gz WBSDHABDDSHOHR-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@H]1CCCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000575752879 366356734 /nfs/dbraw/zinc/35/67/34/366356734.db2.gz RSWZNABVYQWLBH-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1nccs1 ZINC000079243128 363585655 /nfs/dbraw/zinc/58/56/55/363585655.db2.gz JOMVGHPVCKAKPM-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274702782 192731667 /nfs/dbraw/zinc/73/16/67/192731667.db2.gz QMSBSXNEMDHKLJ-VIFPVBQESA-N -1 0 266.297 2.417 20 5 CEBDRM C[C@H](CC(C)(C)O)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000571526643 299313957 /nfs/dbraw/zinc/31/39/57/299313957.db2.gz WVVIBZXBOHQXCL-SECBINFHSA-N -1 0 296.323 2.183 20 5 CEBDRM CC(C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017172709 361505338 /nfs/dbraw/zinc/50/53/38/361505338.db2.gz BVTVKYBUJZMRBO-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(C)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000020018505 361574894 /nfs/dbraw/zinc/57/48/94/361574894.db2.gz UDEOKUAUWYKOCQ-NSHDSACASA-N -1 0 295.295 2.216 20 5 CEBDRM CC[C@@H](SC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546675 364080540 /nfs/dbraw/zinc/08/05/40/364080540.db2.gz OWQRWFNQVWBDOW-SNVBAGLBSA-N -1 0 270.310 2.381 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000094659054 364287765 /nfs/dbraw/zinc/28/77/65/364287765.db2.gz NPWOANIWACJXKE-VIFPVBQESA-N -1 0 252.270 2.203 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H]2C)n1 ZINC000572124353 299347973 /nfs/dbraw/zinc/34/79/73/299347973.db2.gz RZGAMYONTOBFCH-CBAPKCEASA-N -1 0 279.296 2.231 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCc2cc(F)ccc21 ZINC000335764320 364948406 /nfs/dbraw/zinc/94/84/06/364948406.db2.gz FJKRVJMREPAYSG-UHFFFAOYSA-N -1 0 275.239 2.265 20 5 CEBDRM C[C@H]1C[C@H](C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162344399 367153287 /nfs/dbraw/zinc/15/32/87/367153287.db2.gz RYUFSCUOCCDFTH-IUCAKERBSA-N -1 0 279.296 2.170 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000164695723 367294106 /nfs/dbraw/zinc/29/41/06/367294106.db2.gz PMSOXNRCMNLMGM-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM CCc1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000343885773 368059168 /nfs/dbraw/zinc/05/91/68/368059168.db2.gz YPWWHSLJACQMCU-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM O=C(C[C@@H]1CCCC[C@@H]1O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343817896 368021499 /nfs/dbraw/zinc/02/14/99/368021499.db2.gz YTSPSTZYYKSVSG-CABZTGNLSA-N -1 0 294.307 2.180 20 5 CEBDRM Cc1ccnc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)n1 ZINC000350568902 369549330 /nfs/dbraw/zinc/54/93/30/369549330.db2.gz SNISKHQMUDHVHU-UHFFFAOYSA-N -1 0 299.246 2.116 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1ncc([N+](=O)[O-])s1 ZINC000226761502 370352055 /nfs/dbraw/zinc/35/20/55/370352055.db2.gz NQZKMWSWIHRORV-UHFFFAOYSA-N -1 0 259.287 2.107 20 5 CEBDRM CCc1c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccn1C ZINC000355578651 370606448 /nfs/dbraw/zinc/60/64/48/370606448.db2.gz RBHSVKUWNXOGLP-UHFFFAOYSA-N -1 0 289.291 2.454 20 5 CEBDRM O=C(NC1Cc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000358459200 371074334 /nfs/dbraw/zinc/07/43/34/371074334.db2.gz CUOGITURXZEDHZ-UHFFFAOYSA-N -1 0 298.298 2.198 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccccn3)no2)cc1[O-] ZINC000358688515 371176153 /nfs/dbraw/zinc/17/61/53/371176153.db2.gz JKBVPTPTZOMFND-UHFFFAOYSA-N -1 0 298.258 2.336 20 5 CEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CC1(C)C ZINC000331910506 204284741 /nfs/dbraw/zinc/28/47/41/204284741.db2.gz CXEZLGVVTOUZHF-JTQLQIEISA-N -1 0 264.281 2.171 20 5 CEBDRM CCCN(CC(=O)[O-])c1c(F)cccc1[N+](=O)[O-] ZINC000261555907 371645978 /nfs/dbraw/zinc/64/59/78/371645978.db2.gz BSGXKJOROCFFLC-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000262727452 371902649 /nfs/dbraw/zinc/90/26/49/371902649.db2.gz TVELPPXOKXGDBQ-MGCOHNPYSA-N -1 0 292.291 2.424 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1=O ZINC000361660553 372011015 /nfs/dbraw/zinc/01/10/15/372011015.db2.gz KZPMHZKAJDPXKN-RKDXNWHRSA-N -1 0 292.291 2.244 20 5 CEBDRM CC1(C)CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000279975270 375050998 /nfs/dbraw/zinc/05/09/98/375050998.db2.gz URZGZEJIKAPSOV-LLVKDONJSA-N -1 0 280.280 2.197 20 5 CEBDRM O=C([O-])c1ccnc(NCCC2=CCCC2)c1[N+](=O)[O-] ZINC000380636976 375165974 /nfs/dbraw/zinc/16/59/74/375165974.db2.gz VJQMCQJMNKUSOA-UHFFFAOYSA-N -1 0 277.280 2.022 20 5 CEBDRM CC1=C(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000280318082 375166930 /nfs/dbraw/zinc/16/69/30/375166930.db2.gz XXEZLCIWSUAYKY-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000385654907 375239308 /nfs/dbraw/zinc/23/93/08/375239308.db2.gz KEPAJESWTOFMFI-GHMZBOCLSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(F)F ZINC000389565104 375306099 /nfs/dbraw/zinc/30/60/99/375306099.db2.gz RWLPCKRMWGFTOY-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOCC2(CCC2)C1 ZINC000407993830 375392502 /nfs/dbraw/zinc/39/25/02/375392502.db2.gz UXCNBHVSXMVJTL-UHFFFAOYSA-N -1 0 292.335 2.303 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000399554610 375366764 /nfs/dbraw/zinc/36/67/64/375366764.db2.gz BZTQNASDGCILTD-HRDYMLBCSA-N -1 0 279.296 2.169 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc([O-])c1[N+](=O)[O-] ZINC000413973607 375794187 /nfs/dbraw/zinc/79/41/87/375794187.db2.gz DXCWAFQPURAUEB-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM CCSCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000311425511 376668433 /nfs/dbraw/zinc/66/84/33/376668433.db2.gz OAOJJAHTOIZAFP-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM CC[C@]1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330463428 377147294 /nfs/dbraw/zinc/14/72/94/377147294.db2.gz ZLBIBJSYJUEKOF-CQSZACIVSA-N -1 0 280.324 2.301 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000565036008 377538718 /nfs/dbraw/zinc/53/87/18/377538718.db2.gz OORFQASHQOUJLD-SKDRFNHKSA-N -1 0 294.307 2.256 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1Cc2ccccc2C1 ZINC000181986613 249332348 /nfs/dbraw/zinc/33/23/48/249332348.db2.gz RTMWEMXLYBCGEX-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000293640038 377671812 /nfs/dbraw/zinc/67/18/12/377671812.db2.gz KRNBKMOFYLPDKR-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]c2cccnc12 ZINC000346845343 218034476 /nfs/dbraw/zinc/03/44/76/218034476.db2.gz MZEMWUSYSJPCGR-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM Cc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000543711902 380336722 /nfs/dbraw/zinc/33/67/22/380336722.db2.gz CSSMJRWOVVFJBZ-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM CN(Cc1ccccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000350447911 219022322 /nfs/dbraw/zinc/02/23/22/219022322.db2.gz CCCONFJFRJJVAP-UHFFFAOYSA-N -1 0 273.292 2.327 20 5 CEBDRM CC(C)C1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000281319315 195195039 /nfs/dbraw/zinc/19/50/39/195195039.db2.gz SQHBAHQUUCIUMB-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000094239686 184768183 /nfs/dbraw/zinc/76/81/83/184768183.db2.gz YNFUBTNNQPSJIJ-UHFFFAOYSA-N -1 0 286.309 2.030 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000094659202 184836686 /nfs/dbraw/zinc/83/66/86/184836686.db2.gz JREUQIWBUVFFME-UWVGGRQHSA-N -1 0 264.281 2.203 20 5 CEBDRM CC(C)(O)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000281529064 195276987 /nfs/dbraw/zinc/27/69/87/195276987.db2.gz JPVPSLSIRCDIQF-UHFFFAOYSA-N -1 0 288.687 2.053 20 5 CEBDRM CSCCCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000281579380 195294809 /nfs/dbraw/zinc/29/48/09/195294809.db2.gz LZBYWBHSLCQQFM-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM CO[C@H](C)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000356831089 394625011 /nfs/dbraw/zinc/62/50/11/394625011.db2.gz QLFKWQFEOABOJY-SNVBAGLBSA-N -1 0 296.323 2.186 20 5 CEBDRM Cc1cccc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263221195 394628007 /nfs/dbraw/zinc/62/80/07/394628007.db2.gz PDEANEPEFQTDFJ-KOLCDFICSA-N -1 0 278.308 2.450 20 5 CEBDRM CC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000421922849 394639364 /nfs/dbraw/zinc/63/93/64/394639364.db2.gz URZURIUCHFXZCY-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N(C)CCCC(=O)[O-] ZINC000158615267 395049939 /nfs/dbraw/zinc/04/99/39/395049939.db2.gz YDLRVNXPSVQAQX-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM CO[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(C)C ZINC000416262084 395041195 /nfs/dbraw/zinc/04/11/95/395041195.db2.gz NVWXQVNADGPGKS-ZDUSSCGKSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436775765 395153548 /nfs/dbraw/zinc/15/35/48/395153548.db2.gz RFWWIUAHQMTRPI-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436795515 395155060 /nfs/dbraw/zinc/15/50/60/395155060.db2.gz ZAWJIHBITXIPDU-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000436956561 395166800 /nfs/dbraw/zinc/16/68/00/395166800.db2.gz NIFSQYFGRSQKGD-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000399534446 395246054 /nfs/dbraw/zinc/24/60/54/395246054.db2.gz HVGUFQKCTXAMEB-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cccn[n-]1 ZINC000439170454 395249730 /nfs/dbraw/zinc/24/97/30/395249730.db2.gz UBJPTXJWBMBCTE-UHFFFAOYSA-N -1 0 292.682 2.021 20 5 CEBDRM C/C=C\C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568094406 395548023 /nfs/dbraw/zinc/54/80/23/395548023.db2.gz FFNFQHDQTQXYSZ-MXQLGCADSA-N -1 0 280.280 2.032 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000574277026 395627165 /nfs/dbraw/zinc/62/71/65/395627165.db2.gz LVCIBGRFWAZHIM-KOLCDFICSA-N -1 0 294.307 2.150 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000574277028 395627179 /nfs/dbraw/zinc/62/71/79/395627179.db2.gz LVCIBGRFWAZHIM-ONGXEEELSA-N -1 0 294.307 2.150 20 5 CEBDRM CCCc1nc(=NCCc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000360069234 155210169 /nfs/dbraw/zinc/21/01/69/155210169.db2.gz CVBVPKCTBNUSBC-UHFFFAOYSA-N -1 0 292.364 2.475 20 5 CEBDRM COc1cc(CNc2ncccc2F)cc([N+](=O)[O-])c1[O-] ZINC000195311531 153281358 /nfs/dbraw/zinc/28/13/58/153281358.db2.gz ZOJAERHYVBRSFC-UHFFFAOYSA-N -1 0 293.254 2.455 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316001 153298914 /nfs/dbraw/zinc/29/89/14/153298914.db2.gz HXBZUCRELKACOA-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(=O)c1cc(N2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000262143777 153916439 /nfs/dbraw/zinc/91/64/39/153916439.db2.gz QEFXSVLYOLKEJH-SNVBAGLBSA-N -1 0 292.291 2.098 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263235229 154042717 /nfs/dbraw/zinc/04/27/17/154042717.db2.gz CSBCLXWAGJNATJ-AAOUONPWSA-N -1 0 292.291 2.052 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331966623 154216247 /nfs/dbraw/zinc/21/62/47/154216247.db2.gz MNFYNBMSMIFWSK-LBPRGKRZSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1cc(=O)[nH]c(C=Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000352025072 154320150 /nfs/dbraw/zinc/32/01/50/154320150.db2.gz CJXOHHIPBFVXNA-DJWKRKHSSA-N -1 0 273.248 2.275 20 5 CEBDRM O=C([O-])[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000164685505 162338353 /nfs/dbraw/zinc/33/83/53/162338353.db2.gz IIQULBAZKJLGGL-SECBINFHSA-N -1 0 282.271 2.031 20 5 CEBDRM O=C([O-])CCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035407372 172178472 /nfs/dbraw/zinc/17/84/72/172178472.db2.gz QIXPUNJFVRGUJQ-UHFFFAOYSA-N -1 0 295.295 2.361 20 5 CEBDRM O=C([O-])CCCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000037406751 173182510 /nfs/dbraw/zinc/18/25/10/173182510.db2.gz SSCPFFFMBLRIRJ-UHFFFAOYSA-N -1 0 286.309 2.031 20 5 CEBDRM CCC[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000517750862 260115686 /nfs/dbraw/zinc/11/56/86/260115686.db2.gz TVZPIBICRLIZFQ-GFCCVEGCSA-N -1 0 266.297 2.280 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000424887745 264337345 /nfs/dbraw/zinc/33/73/45/264337345.db2.gz AXXOKWDITGTTGP-FZMZJTMJSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@H]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000230428929 270314047 /nfs/dbraw/zinc/31/40/47/270314047.db2.gz LCFBSKMPTLUHDV-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235617091 270315362 /nfs/dbraw/zinc/31/53/62/270315362.db2.gz GEUZQFWNVBBZSK-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@@H]1CC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000398119300 270357157 /nfs/dbraw/zinc/35/71/57/270357157.db2.gz AHVXUWJXORHPCC-SCZZXKLOSA-N -1 0 280.280 2.272 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000421909358 270683456 /nfs/dbraw/zinc/68/34/56/270683456.db2.gz GSKUKJKEPCPGQU-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM CO[C@H](C)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000436969124 271697401 /nfs/dbraw/zinc/69/74/01/271697401.db2.gz XJPAPFOVELHRGI-SNVBAGLBSA-N -1 0 296.323 2.186 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408160625 278005626 /nfs/dbraw/zinc/00/56/26/278005626.db2.gz WMEDYGUDVGOTDJ-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(NC1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130274153 279932746 /nfs/dbraw/zinc/93/27/46/279932746.db2.gz XMGVAFYBDAKGIW-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM CC(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000130447695 279936307 /nfs/dbraw/zinc/93/63/07/279936307.db2.gz LGGXLHYDCSWXOP-UHFFFAOYSA-N -1 0 290.279 2.399 20 5 CEBDRM CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000424376455 281153263 /nfs/dbraw/zinc/15/32/63/281153263.db2.gz PGKSBSSZHVRRSZ-MRVPVSSYSA-N -1 0 285.275 2.288 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@H](C)O1 ZINC000339112774 297030037 /nfs/dbraw/zinc/03/00/37/297030037.db2.gz TVDRYMZGWOLAQF-VWYCJHECSA-N -1 0 280.324 2.298 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@@H](C)O1 ZINC000339112773 297030266 /nfs/dbraw/zinc/03/02/66/297030266.db2.gz TVDRYMZGWOLAQF-OUAUKWLOSA-N -1 0 280.324 2.298 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000375238842 304524681 /nfs/dbraw/zinc/52/46/81/304524681.db2.gz DLGLZDYBBFWSOH-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CSCCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166862176 297465932 /nfs/dbraw/zinc/46/59/32/297465932.db2.gz KBFBWQUPGGEJFO-UHFFFAOYSA-N -1 0 285.325 2.243 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2CCO)c1 ZINC000566292325 298963690 /nfs/dbraw/zinc/96/36/90/298963690.db2.gz SJUFWPJKVNHNFY-MWLCHTKSSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1cc(S[C@@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514733265 313054549 /nfs/dbraw/zinc/05/45/49/313054549.db2.gz RKXAPILSKRLMSY-MRVPVSSYSA-N -1 0 283.305 2.482 20 5 CEBDRM CC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567503990 313900744 /nfs/dbraw/zinc/90/07/44/313900744.db2.gz ZVZAWVNNQAEYKP-UHFFFAOYSA-N -1 0 272.688 2.482 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000577137634 314345285 /nfs/dbraw/zinc/34/52/85/314345285.db2.gz KMOLIJODTVFOKU-BYCRGOAPSA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(NCCC[C@@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581372760 322391238 /nfs/dbraw/zinc/39/12/38/322391238.db2.gz WWDMIMJCGQREIK-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM Cc1cc(NCCC2CC(O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582609627 322488555 /nfs/dbraw/zinc/48/85/55/322488555.db2.gz NJQKIZXFVISDPD-UHFFFAOYSA-N -1 0 294.307 2.174 20 5 CEBDRM CC[C@H](CCO)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211931438 326866682 /nfs/dbraw/zinc/86/66/82/326866682.db2.gz WQXWKXVGPXPDFH-SECBINFHSA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000179392941 533749870 /nfs/dbraw/zinc/74/98/70/533749870.db2.gz CIADZLXFBPOEBP-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM C[C@H](CN(C)c1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000042703959 534031055 /nfs/dbraw/zinc/03/10/55/534031055.db2.gz RIZZKANHMTXZDR-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM O=C(NCCc1ccsc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178485864 534496032 /nfs/dbraw/zinc/49/60/32/534496032.db2.gz MFAKGGLAHBLBFX-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM O=C(NCc1ccsc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000176294006 534696154 /nfs/dbraw/zinc/69/61/54/534696154.db2.gz UNACHAYVOMLTON-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179467872 529340182 /nfs/dbraw/zinc/34/01/82/529340182.db2.gz GFSGLCWAKOKAKD-MRVPVSSYSA-N -1 0 252.270 2.171 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000738580219 574481427 /nfs/dbraw/zinc/48/14/27/574481427.db2.gz JMOCKPFXCURMHE-UHFFFAOYSA-N -1 0 292.247 2.098 20 5 CEBDRM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736425352 574787432 /nfs/dbraw/zinc/78/74/32/574787432.db2.gz LLIVZVCKOFYVQA-LLVKDONJSA-N -1 0 295.295 2.216 20 5 CEBDRM Cc1noc([C@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000738942242 574886444 /nfs/dbraw/zinc/88/64/44/574886444.db2.gz YSMSMOIHSQQCHR-LURJTMIESA-N -1 0 293.235 2.124 20 5 CEBDRM C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739196967 574899076 /nfs/dbraw/zinc/89/90/76/574899076.db2.gz XAYISLAMQVAPIG-WPRPVWTQSA-N -1 0 297.286 2.216 20 5 CEBDRM CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739299426 574907485 /nfs/dbraw/zinc/90/74/85/574907485.db2.gz WQPFCUHIBGFBJT-ZDUSSCGKSA-N -1 0 295.295 2.360 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NCc2cocn2)c([N+](=O)[O-])c1 ZINC000739625782 574929005 /nfs/dbraw/zinc/92/90/05/574929005.db2.gz RGOSXHZXVPALHP-RQOWECAXSA-N -1 0 289.247 2.293 20 5 CEBDRM Cc1nc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1C ZINC000744255495 575117399 /nfs/dbraw/zinc/11/73/99/575117399.db2.gz PZDGFOIIVBPXRZ-UHFFFAOYSA-N -1 0 281.293 2.353 20 5 CEBDRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000739558531 600209454 /nfs/dbraw/zinc/20/94/54/600209454.db2.gz MDOFFNIPALPMNL-DTWKUNHWSA-N -1 0 299.666 2.012 20 5 CEBDRM C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000054334371 600433181 /nfs/dbraw/zinc/43/31/81/600433181.db2.gz SLUMYWSXVCHCRO-QMMMGPOBSA-N -1 0 275.264 2.276 20 5 CEBDRM Cc1cc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)no1 ZINC000235837075 600439903 /nfs/dbraw/zinc/43/99/03/600439903.db2.gz FBWOEFXXRHODKQ-UHFFFAOYSA-N -1 0 278.220 2.168 20 5 CEBDRM C[C@H](CCO)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417324 600826609 /nfs/dbraw/zinc/82/66/09/600826609.db2.gz DRZRFOCAQPERKT-RXNUUUNCSA-N -1 0 294.307 2.123 20 5 CEBDRM CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000094701881 600922331 /nfs/dbraw/zinc/92/23/31/600922331.db2.gz GEKWTDIADDSENI-NSHDSACASA-N -1 0 294.307 2.072 20 5 CEBDRM Cc1cc(NCC2(C)COC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897320 602318192 /nfs/dbraw/zinc/31/81/92/602318192.db2.gz VPEZTQZXSSVKCJ-UHFFFAOYSA-N -1 0 280.280 2.050 20 5 CEBDRM O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000833158248 602397296 /nfs/dbraw/zinc/39/72/96/602397296.db2.gz RVWOIJHIPPPLEM-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM C[C@H](CCNc1ncc([N+](=O)[O-])cc1Cl)NC(=O)[O-] ZINC000738911094 603243935 /nfs/dbraw/zinc/24/39/35/603243935.db2.gz YKPUVKWZQUQJTO-ZCFIWIBFSA-N -1 0 288.691 2.101 20 5 CEBDRM O=C([O-])NCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000832662521 603443609 /nfs/dbraw/zinc/44/36/09/603443609.db2.gz MHQVXDYAPBTBSW-UHFFFAOYSA-N -1 0 293.201 2.293 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C(=O)[O-])C1 ZINC000830138194 603445213 /nfs/dbraw/zinc/44/52/13/603445213.db2.gz NKLJSLLZJMPNKQ-VIFPVBQESA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1ccc(N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000830342476 603445239 /nfs/dbraw/zinc/44/52/39/603445239.db2.gz ZBPOSMGDEGMKGF-MNOVXSKESA-N -1 0 293.323 2.386 20 5 CEBDRM CC(C)(CNc1ccsc1[N+](=O)[O-])NC(=O)[O-] ZINC000824011066 603519318 /nfs/dbraw/zinc/51/93/18/603519318.db2.gz BMMGTUNCACOXGB-UHFFFAOYSA-N -1 0 259.287 2.114 20 5 CEBDRM Cc1cc(NC[C@H]2CCCCN2C(=O)[O-])ncc1[N+](=O)[O-] ZINC000830123064 603890568 /nfs/dbraw/zinc/89/05/68/603890568.db2.gz RCEWLPCSPBJAQX-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])NC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000832580087 603906894 /nfs/dbraw/zinc/90/68/94/603906894.db2.gz ZNLTVNPAHPYHIW-SECBINFHSA-N -1 0 299.714 2.485 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(S[C@@H](C)CC(=O)[O-])n1 ZINC000162580626 604266508 /nfs/dbraw/zinc/26/65/08/604266508.db2.gz DMKODDKZZHIXSB-ZETCQYMHSA-N -1 0 256.283 2.254 20 5 CEBDRM Cc1nc(NC2CCC(NC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000830775127 604442760 /nfs/dbraw/zinc/44/27/60/604442760.db2.gz MQWNTINRMCVQDD-UHFFFAOYSA-N -1 0 294.311 2.289 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(SCCC(=O)[O-])c1 ZINC000833728407 604822882 /nfs/dbraw/zinc/82/28/82/604822882.db2.gz CXEPXIAAWSYNCK-UHFFFAOYSA-N -1 0 275.257 2.309 20 5 CEBDRM C[C@@H](Sc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000235311689 604949554 /nfs/dbraw/zinc/94/95/54/604949554.db2.gz XYHYTRIEZOKHCX-SCSAIBSYSA-N -1 0 263.221 2.438 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc([N+](=O)[O-])cc2C)O1 ZINC000833580154 605238410 /nfs/dbraw/zinc/23/84/10/605238410.db2.gz PTZLZTJETMOYCH-LLVKDONJSA-N -1 0 293.275 2.430 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccccc1[N+](=O)[O-] ZINC000825844582 605484602 /nfs/dbraw/zinc/48/46/02/605484602.db2.gz KIJAXPWVIYFOHV-UWVGGRQHSA-N -1 0 279.296 2.220 20 5 CEBDRM C[C@H](CCNc1c(F)cc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000833805913 605762585 /nfs/dbraw/zinc/76/25/85/605762585.db2.gz UHDGQEHQEJLEEC-ZCFIWIBFSA-N -1 0 289.238 2.331 20 5 CEBDRM O=c1[n-]c(Sc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000804661918 622660800 /nfs/dbraw/zinc/66/08/00/622660800.db2.gz HRBMCZLKLLOPHQ-UHFFFAOYSA-N -1 0 272.673 2.223 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263245159 624353330 /nfs/dbraw/zinc/35/33/30/624353330.db2.gz SDVSDZKWLXJKMI-WDEREUQCSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000311461138 627666568 /nfs/dbraw/zinc/66/65/68/627666568.db2.gz OGIOFURQCPIKAU-SKDRFNHKSA-N -1 0 264.281 2.142 20 5 CEBDRM O=C(Nc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000220547452 628681900 /nfs/dbraw/zinc/68/19/00/628681900.db2.gz NOMRQOQWBUVHHE-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM O=C(O[C@H]1CCC12CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000821819704 634796525 /nfs/dbraw/zinc/79/65/25/634796525.db2.gz IFDDQHCZECBHPQ-VIFPVBQESA-N -1 0 250.254 2.412 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccnc2Cl)[nH]1 ZINC000806563709 631753465 /nfs/dbraw/zinc/75/34/65/631753465.db2.gz XNYSLMJWYPECKY-ONEGZZNKSA-N -1 0 294.654 2.015 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSCCSCCO ZINC000840207910 632268113 /nfs/dbraw/zinc/26/81/13/632268113.db2.gz ZEKUZEICJSUMPH-UHFFFAOYSA-N -1 0 289.378 2.259 20 5 CEBDRM Cc1cc(N[C@H]2C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC000900966005 633910789 /nfs/dbraw/zinc/91/07/89/633910789.db2.gz PYUCRVGJYGDOOB-LJGSYFOKSA-N -1 0 256.283 2.240 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000834653280 637905855 /nfs/dbraw/zinc/90/58/55/637905855.db2.gz AJDWVAVVQBLTLM-WPRPVWTQSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000834665460 637911586 /nfs/dbraw/zinc/91/15/86/637911586.db2.gz HPRGLRANJZXTJR-WPRPVWTQSA-N -1 0 296.348 2.314 20 5 CEBDRM CO[C@H]1CC[C@@H]1N(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000910387993 638033057 /nfs/dbraw/zinc/03/30/57/638033057.db2.gz BURZEXWAXDJOIL-GWCFXTLKSA-N -1 0 294.307 2.215 20 5 CEBDRM CC[C@@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)OC ZINC000835636828 638337784 /nfs/dbraw/zinc/33/77/84/638337784.db2.gz ZTDBOVOPVAEFAX-PSASIEDQSA-N -1 0 270.285 2.141 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCS1 ZINC000837553971 639279395 /nfs/dbraw/zinc/27/93/95/639279395.db2.gz CURQMBXLNRMMDZ-NSHDSACASA-N -1 0 283.305 2.239 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000837739027 639368436 /nfs/dbraw/zinc/36/84/36/639368436.db2.gz WXXJOOKCCNVRAC-SECBINFHSA-N -1 0 297.332 2.487 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1F ZINC000229982529 639726810 /nfs/dbraw/zinc/72/68/10/639726810.db2.gz JMWUVLYPBSQRFQ-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CCON(C(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000844077211 640595160 /nfs/dbraw/zinc/59/51/60/640595160.db2.gz HFWOJEWEJGBIFA-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM CCCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844207080 640631980 /nfs/dbraw/zinc/63/19/80/640631980.db2.gz WHBRJXXFMANLLX-UHFFFAOYSA-N -1 0 266.297 2.458 20 5 CEBDRM COC[C@@H](C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207487 640632171 /nfs/dbraw/zinc/63/21/71/640632171.db2.gz KKKVELKKYSKADY-RWCYGVJQSA-N -1 0 294.307 2.387 20 5 CEBDRM CC(C)CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209364 640632807 /nfs/dbraw/zinc/63/28/07/640632807.db2.gz RKRKVAHANVWSFF-UHFFFAOYSA-N -1 0 266.297 2.314 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000844218020 640635047 /nfs/dbraw/zinc/63/50/47/640635047.db2.gz KTSXZKRNLXWDES-KCJUWKMLSA-N -1 0 292.291 2.097 20 5 CEBDRM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)C(=O)[O-] ZINC000196637323 642314926 /nfs/dbraw/zinc/31/49/26/642314926.db2.gz RSUXCXOTGFTZCY-RCOVLWMOSA-N -1 0 294.267 2.042 20 5 CEBDRM O=C(OCCCc1ccco1)c1ccc([N+](=O)[O-])[n-]1 ZINC000861017228 645978362 /nfs/dbraw/zinc/97/83/62/645978362.db2.gz XKKOWVOUUBPQGA-UHFFFAOYSA-N -1 0 264.237 2.306 20 5 CEBDRM CS[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000773191901 646714716 /nfs/dbraw/zinc/71/47/16/646714716.db2.gz NSANTTYFOJOJLF-WCBMZHEXSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1ccc(CNC(=O)C[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000864217845 646946168 /nfs/dbraw/zinc/94/61/68/646946168.db2.gz QXLHVRBORMUUKH-VIFPVBQESA-N -1 0 294.307 2.020 20 5 CEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccco2)ccc1F ZINC000783526014 647725673 /nfs/dbraw/zinc/72/56/73/647725673.db2.gz FLFFQMYTGAZSDE-UHFFFAOYSA-N -1 0 286.240 2.128 20 5 CEBDRM COC(=O)c1c[nH]c(S/C=C/c2ccc([N+](=O)[O-])o2)n1 ZINC000789966167 648363809 /nfs/dbraw/zinc/36/38/09/648363809.db2.gz FNUQTCKQWKFWFI-SNAWJCMRSA-N -1 0 295.276 2.461 20 5 CEBDRM COc1cc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)on1 ZINC000800143688 652662365 /nfs/dbraw/zinc/66/23/65/652662365.db2.gz DIXNOTHMEZLTFO-UHFFFAOYSA-N -1 0 295.226 2.291 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1CC(=O)[O-] ZINC000722653947 802453919 /nfs/dbraw/zinc/45/39/19/802453919.db2.gz RXHPUMZQXQCMFZ-NXEZZACHSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1cc(N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])ccc1[N+](=O)[O-] ZINC000721243786 807020414 /nfs/dbraw/zinc/02/04/14/807020414.db2.gz RAQRRGTYYMGVSS-LOWVWBTDSA-N -1 0 276.292 2.060 20 5 CEBDRM COC[C@@H](C)OC[C@@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490356 804885549 /nfs/dbraw/zinc/88/55/49/804885549.db2.gz HQLIYFFFKQMMGG-NXEZZACHSA-N -1 0 285.296 2.119 20 5 CEBDRM O=[N+]([O-])c1c([O-])cccc1OC[C@H]1CCCCO1 ZINC001225620754 805038689 /nfs/dbraw/zinc/03/86/89/805038689.db2.gz UHDAXRMGJXCZQT-SECBINFHSA-N -1 0 253.254 2.248 20 5 CEBDRM Cc1cccnc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120000970 810794234 /nfs/dbraw/zinc/79/42/34/810794234.db2.gz WAKAXUVGPBHNEF-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Nc1cc(F)cnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502984 816029255 /nfs/dbraw/zinc/02/92/55/816029255.db2.gz QTIOMPVQOMYXHF-UHFFFAOYSA-N -1 0 292.226 2.153 20 5 CEBDRM Cc1nocc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503568 816030264 /nfs/dbraw/zinc/03/02/64/816030264.db2.gz QPDPWVQMELCRTH-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccnnc2Cl)cc1[N+](=O)[O-] ZINC001174503281 816030372 /nfs/dbraw/zinc/03/03/72/816030372.db2.gz IOLBRLGXPVUTDP-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM Cc1cnn(C)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673081 816452087 /nfs/dbraw/zinc/45/20/87/816452087.db2.gz RLPABMCPPUHSPF-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM COc1ccncc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674521 816454052 /nfs/dbraw/zinc/45/40/52/816454052.db2.gz LNNMVTIPACJEEF-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM O=C([O-])c1cc(Nc2cncnc2Cl)cc([N+](=O)[O-])c1 ZINC001176673235 816454269 /nfs/dbraw/zinc/45/42/69/816454269.db2.gz VBHJEHJDCQSRRE-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CSC1 ZINC000601407590 346833889 /nfs/dbraw/zinc/83/38/89/346833889.db2.gz XOQVEBITKHZLGK-UHFFFAOYSA-N -1 0 288.712 2.255 20 5 CEBDRM O=C(N[C@H]1CCCC12CC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000601703937 346882402 /nfs/dbraw/zinc/88/24/02/346882402.db2.gz HEERCHZSDILRFM-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM CC[C@H](CCO)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000567739381 299084406 /nfs/dbraw/zinc/08/44/06/299084406.db2.gz MAXNZEMRXGYJKH-SNVBAGLBSA-N -1 0 296.323 2.422 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000041031409 362015166 /nfs/dbraw/zinc/01/51/66/362015166.db2.gz YKDXMSUBHHPLSQ-SNVBAGLBSA-N -1 0 294.307 2.229 20 5 CEBDRM CC(C)Cc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000042047872 362057565 /nfs/dbraw/zinc/05/75/65/362057565.db2.gz JBOVQPNOUOPKGU-UHFFFAOYSA-N -1 0 296.308 2.490 20 5 CEBDRM C[C@H](CN(C)c1ccc([N+](=O)[O-])c2ncccc12)C(=O)[O-] ZINC000042703984 343454878 /nfs/dbraw/zinc/45/48/78/343454878.db2.gz IBTFIARXTHXVCH-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM O=C(COC1CCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546177 344194357 /nfs/dbraw/zinc/19/43/57/344194357.db2.gz IOJHKSFIMUYKCJ-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM C[C@H]1CCC[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162423014 344467565 /nfs/dbraw/zinc/46/75/65/344467565.db2.gz GBSXTJAEZAYBHI-IONNQARKSA-N -1 0 265.269 2.289 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000050195947 362409734 /nfs/dbraw/zinc/40/97/34/362409734.db2.gz ZDXWHRFLZYARRA-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM CCOc1cccc(N2CC[C@H](C(=O)[O-])[C@H]2C)c1[N+](=O)[O-] ZINC000252854852 344642279 /nfs/dbraw/zinc/64/22/79/344642279.db2.gz HGDJOCNALQBJLY-ZJUUUORDSA-N -1 0 294.307 2.293 20 5 CEBDRM O=C(NC/C=C\c1cccnc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590396862 345132831 /nfs/dbraw/zinc/13/28/31/345132831.db2.gz FVQKLZVHICSOQZ-RQOWECAXSA-N -1 0 299.286 2.139 20 5 CEBDRM Cc1cc(NC[C@@H]2CC[C@@H](O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592975609 345417737 /nfs/dbraw/zinc/41/77/37/345417737.db2.gz UZBMVNZMEJMYJA-NXEZZACHSA-N -1 0 294.307 2.174 20 5 CEBDRM C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000592980442 345418597 /nfs/dbraw/zinc/41/85/97/345418597.db2.gz GNBZXNPQWLFRRY-SFYZADRCSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CC(F)F ZINC000592825894 345400613 /nfs/dbraw/zinc/40/06/13/345400613.db2.gz JTWXKVYHDWZVBM-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C([O-])[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593753896 345533129 /nfs/dbraw/zinc/53/31/29/345533129.db2.gz BGBIPDVZMNCGKP-UONOGXRCSA-N -1 0 290.319 2.137 20 5 CEBDRM CCC[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000594639244 345664130 /nfs/dbraw/zinc/66/41/30/345664130.db2.gz VQKUMNKTNACTNA-QMMMGPOBSA-N -1 0 280.280 2.211 20 5 CEBDRM C[C@@H]1CCC[C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000594736909 345681801 /nfs/dbraw/zinc/68/18/01/345681801.db2.gz XYCJVTXTKZBGAS-RKDXNWHRSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000594736099 345682016 /nfs/dbraw/zinc/68/20/16/345682016.db2.gz POLCSFDWTZOIFN-JTQLQIEISA-N -1 0 287.222 2.145 20 5 CEBDRM CC1C[C@H]2CC[C@@H](C1)N2c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595280359 345753193 /nfs/dbraw/zinc/75/31/93/345753193.db2.gz FIHZQOPIYMZKEX-PBINXNQUSA-N -1 0 291.307 2.455 20 5 CEBDRM O=C([O-])C1(CNc2sccc2[N+](=O)[O-])CCC1 ZINC000595971714 345919490 /nfs/dbraw/zinc/91/94/90/345919490.db2.gz SARAFEPNYNOYSK-UHFFFAOYSA-N -1 0 256.283 2.323 20 5 CEBDRM Cc1ccnc(NC[C@@H](C(=O)[O-])C2CCC2)c1[N+](=O)[O-] ZINC000595977128 345919968 /nfs/dbraw/zinc/91/99/68/345919968.db2.gz DZYAYSWGHXDQPT-SNVBAGLBSA-N -1 0 279.296 2.211 20 5 CEBDRM CCSC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000598328347 346327390 /nfs/dbraw/zinc/32/73/90/346327390.db2.gz FVVCCTKMXBHQDZ-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000598380281 346342197 /nfs/dbraw/zinc/34/21/97/346342197.db2.gz HADTZHNRZRQUIL-ZDUSSCGKSA-N -1 0 278.308 2.465 20 5 CEBDRM CC(C)[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000598381831 346342866 /nfs/dbraw/zinc/34/28/66/346342866.db2.gz QAHUXNXBVZMGEB-LBPRGKRZSA-N -1 0 278.308 2.465 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598564888 346375242 /nfs/dbraw/zinc/37/52/42/346375242.db2.gz LXJUFSMEZACFPH-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598515947 346369215 /nfs/dbraw/zinc/36/92/15/346369215.db2.gz NZDJETVKCYEZKR-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM CO[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000600679215 346672566 /nfs/dbraw/zinc/67/25/66/346672566.db2.gz SUFSHKXLLZTHCS-KYZUINATSA-N -1 0 280.280 2.191 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000450395165 282588428 /nfs/dbraw/zinc/58/84/28/282588428.db2.gz UPQGZRKQOTVBTR-RNFRBKRXSA-N -1 0 290.197 2.437 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC12CCC2 ZINC000614271680 348171503 /nfs/dbraw/zinc/17/15/03/348171503.db2.gz OPVYYAZOSKMZKE-VIFPVBQESA-N -1 0 262.265 2.429 20 5 CEBDRM CCN(CC(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000273386188 192135001 /nfs/dbraw/zinc/13/50/01/192135001.db2.gz CHGDFYJUUYPEJR-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431545 349179400 /nfs/dbraw/zinc/17/94/00/349179400.db2.gz TYSNLOCFWWAWQV-BONVTDFDSA-N -1 0 292.335 2.300 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NCCCC2CCOCC2)s1 ZINC000450561789 282662988 /nfs/dbraw/zinc/66/29/88/282662988.db2.gz VDUCUKOXWMGYBH-UHFFFAOYSA-N -1 0 271.342 2.092 20 5 CEBDRM Cc1cc(NCCCCCC(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026246 180308513 /nfs/dbraw/zinc/30/85/13/180308513.db2.gz XQIOJWNECMJHPV-UHFFFAOYSA-N -1 0 267.285 2.355 20 5 CEBDRM C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)CC(=O)[O-] ZINC000147530312 539801709 /nfs/dbraw/zinc/80/17/09/539801709.db2.gz JVZSFDFDSITNDA-QMMMGPOBSA-N -1 0 290.279 2.061 20 5 CEBDRM CC[C@@H](C)CON=c1[n-]c(C(=O)OC)ccc1[N+](=O)[O-] ZINC000291965977 198120186 /nfs/dbraw/zinc/12/01/86/198120186.db2.gz VRXPWFDDOFNWFJ-MRVPVSSYSA-N -1 0 283.284 2.166 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000292199582 198200321 /nfs/dbraw/zinc/20/03/21/198200321.db2.gz GMDDNBOLKHIZSW-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CC(C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163973599 188618397 /nfs/dbraw/zinc/61/83/97/188618397.db2.gz HPHRPHRADMTOJD-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075432976 363464500 /nfs/dbraw/zinc/46/45/00/363464500.db2.gz DIAXPLWVLPPPPW-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM CCOCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000570166172 299242920 /nfs/dbraw/zinc/24/29/20/299242920.db2.gz JTJGXODCYREXKE-UHFFFAOYSA-N -1 0 268.269 2.050 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356335303 370663655 /nfs/dbraw/zinc/66/36/55/370663655.db2.gz HWEBFLKDXCKXHZ-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM O=C(CC1(O)CCCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000135341939 366428796 /nfs/dbraw/zinc/42/87/96/366428796.db2.gz UHGBFSFATHLZNE-UHFFFAOYSA-N -1 0 294.307 2.324 20 5 CEBDRM Cc1cc(NCCC[C@@H](C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578445448 366494666 /nfs/dbraw/zinc/49/46/66/366494666.db2.gz CYVAXJUYIOGDLZ-SECBINFHSA-N -1 0 296.323 2.422 20 5 CEBDRM COc1ccc(NC(=O)CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000136444642 366513631 /nfs/dbraw/zinc/51/36/31/366513631.db2.gz DWOFQGRALNIJMN-UHFFFAOYSA-N -1 0 296.279 2.187 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137090462 366536123 /nfs/dbraw/zinc/53/61/23/366536123.db2.gz ANNOFPXOWMJEHO-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM COCCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181873548 189309359 /nfs/dbraw/zinc/30/93/59/189309359.db2.gz NZFKXMNENXWPDW-UHFFFAOYSA-N -1 0 296.323 2.045 20 5 CEBDRM CC(C)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000183561228 189362746 /nfs/dbraw/zinc/36/27/46/189362746.db2.gz XXLNBXYAKSJVHX-UHFFFAOYSA-N -1 0 264.281 2.313 20 5 CEBDRM COCCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025670879 361629317 /nfs/dbraw/zinc/62/93/17/361629317.db2.gz UIIKLDKWWFHXBZ-UHFFFAOYSA-N -1 0 296.323 2.045 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000275156970 192939649 /nfs/dbraw/zinc/93/96/49/192939649.db2.gz TXAXGIFMZVQKIR-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM CCc1onc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000089399329 363960099 /nfs/dbraw/zinc/96/00/99/363960099.db2.gz OPRWLOWZTSPCRU-UHFFFAOYSA-N -1 0 265.225 2.299 20 5 CEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000092545952 364081067 /nfs/dbraw/zinc/08/10/67/364081067.db2.gz UJCQTCOFYKERRH-SECBINFHSA-N -1 0 294.307 2.302 20 5 CEBDRM Cc1csc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000356585097 370764312 /nfs/dbraw/zinc/76/43/12/370764312.db2.gz XQMSACWBJWDJPC-UHFFFAOYSA-N -1 0 293.304 2.342 20 5 CEBDRM O=C([O-])CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000094291109 364263701 /nfs/dbraw/zinc/26/37/01/364263701.db2.gz VXOHYSRISAMWNQ-UHFFFAOYSA-N -1 0 293.279 2.114 20 5 CEBDRM CC[C@H](Sc1ncc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000097824279 364520144 /nfs/dbraw/zinc/52/01/44/364520144.db2.gz RVTSFVLJHBKEOO-QMMMGPOBSA-N -1 0 256.283 2.254 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000130327645 304122447 /nfs/dbraw/zinc/12/24/47/304122447.db2.gz BHGWQMDMWRODEF-SECBINFHSA-N -1 0 287.275 2.054 20 5 CEBDRM O=C([O-])c1cnc(N2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000583027512 366991505 /nfs/dbraw/zinc/99/15/05/366991505.db2.gz QTSLPQDRPFRMPR-UHFFFAOYSA-N -1 0 277.280 2.068 20 5 CEBDRM CC[C@H](C)CN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162355336 367154999 /nfs/dbraw/zinc/15/49/99/367154999.db2.gz NDRUEALRYYYSLA-QMMMGPOBSA-N -1 0 267.285 2.170 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccon1 ZINC000180786072 368395962 /nfs/dbraw/zinc/39/59/62/368395962.db2.gz NGYXZPKAEYUGJA-UHFFFAOYSA-N -1 0 283.627 2.194 20 5 CEBDRM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C[C@H]2CC[C@@H]1O2 ZINC000189795300 369569551 /nfs/dbraw/zinc/56/95/51/369569551.db2.gz XOXXYEDAFCJVPM-LJWDBELGSA-N -1 0 292.291 2.197 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cncs3)no2)cc1[O-] ZINC000350910575 369586420 /nfs/dbraw/zinc/58/64/20/369586420.db2.gz OAURMYYDSHECNJ-UHFFFAOYSA-N -1 0 290.260 2.474 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353227920 370085182 /nfs/dbraw/zinc/08/51/82/370085182.db2.gz IKKWTZIXCFBDGT-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM CC(C)(C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000354151756 370235954 /nfs/dbraw/zinc/23/59/54/370235954.db2.gz ZEBYLYCCGCPEPU-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000230688132 370464433 /nfs/dbraw/zinc/46/44/33/370464433.db2.gz TZLDFCZIVJLNFU-MWLCHTKSSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NCCc1cccs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561138 370592469 /nfs/dbraw/zinc/59/24/69/370592469.db2.gz TZRJFZYRUXXBHH-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM Cc1cc(N(C)C[C@@H](C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000336814606 213686872 /nfs/dbraw/zinc/68/68/72/213686872.db2.gz GAGZRYLVWCLOJC-MRVPVSSYSA-N -1 0 270.260 2.199 20 5 CEBDRM C[C@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269286814 372408355 /nfs/dbraw/zinc/40/83/55/372408355.db2.gz NVSFAHDSRAOTJJ-UFBFGSQYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000272587773 373564546 /nfs/dbraw/zinc/56/45/46/373564546.db2.gz VGDWNLWRQCZZIL-LBPRGKRZSA-N -1 0 296.348 2.268 20 5 CEBDRM CC[C@@H](Sc1c([N+](=O)[O-])nc(C)n1CC)C(=O)[O-] ZINC000381156964 375171048 /nfs/dbraw/zinc/17/10/48/375171048.db2.gz DNLGRHASKAUDLC-SSDOTTSWSA-N -1 0 273.314 2.075 20 5 CEBDRM COC[C@]1(C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000381396393 375174965 /nfs/dbraw/zinc/17/49/65/375174965.db2.gz OTXZIWMRYMORJI-CQSZACIVSA-N -1 0 294.307 2.156 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000412667842 375648385 /nfs/dbraw/zinc/64/83/85/375648385.db2.gz CVVSTTMZVRJLKB-GHMZBOCLSA-N -1 0 282.271 2.311 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000286437536 375951954 /nfs/dbraw/zinc/95/19/54/375951954.db2.gz INPLWCUFMAVYBB-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM CCOC(=O)c1cc(N[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000416428127 376068560 /nfs/dbraw/zinc/06/85/60/376068560.db2.gz SOSBUGOSQNNZGX-QMMMGPOBSA-N -1 0 296.279 2.047 20 5 CEBDRM CCN(CC(=O)[O-])C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000263220896 190067118 /nfs/dbraw/zinc/06/71/18/190067118.db2.gz YUHGSSKAFFDXKO-UHFFFAOYSA-N -1 0 294.307 2.265 20 5 CEBDRM O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563195213 377121346 /nfs/dbraw/zinc/12/13/46/377121346.db2.gz SWWPMJTULATGFX-AKZRSSKFSA-N -1 0 296.710 2.482 20 5 CEBDRM C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564453511 377393543 /nfs/dbraw/zinc/39/35/43/377393543.db2.gz OMRXTRSGVYTXDW-CBAPKCEASA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1cc(N[C@H](C)[C@@H](C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034197 377538479 /nfs/dbraw/zinc/53/84/79/377538479.db2.gz BIARXQXEZVIZNF-DTWKUNHWSA-N -1 0 282.296 2.030 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181931831 249332296 /nfs/dbraw/zinc/33/22/96/249332296.db2.gz LDQVQPIIMTXEFO-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM CC(C)(C(=O)[N-]OCC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000293822308 377775263 /nfs/dbraw/zinc/77/52/63/377775263.db2.gz RPDCCULNIZBMPE-UHFFFAOYSA-N -1 0 296.298 2.469 20 5 CEBDRM C[C@@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])cn2)cn1 ZINC000302429666 379372702 /nfs/dbraw/zinc/37/27/02/379372702.db2.gz OJWHPSVWVCJMGY-QMMMGPOBSA-N -1 0 274.284 2.296 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCCC2)c1 ZINC000095803716 304251111 /nfs/dbraw/zinc/25/11/11/304251111.db2.gz LIFYDHHDVQSBKE-UHFFFAOYSA-N -1 0 250.254 2.283 20 5 CEBDRM CCCc1nccn1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412995814 394454856 /nfs/dbraw/zinc/45/48/56/394454856.db2.gz DKGYEAMEAZMDPZ-UHFFFAOYSA-N -1 0 261.281 2.498 20 5 CEBDRM C[C@@H](O)[C@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000413003497 394457717 /nfs/dbraw/zinc/45/77/17/394457717.db2.gz XDVUDGAFKYABIH-SFYZADRCSA-N -1 0 257.311 2.303 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](C2CC2)C1 ZINC000356723994 394594516 /nfs/dbraw/zinc/59/45/16/394594516.db2.gz FYAAAVMRBPDDAV-JTQLQIEISA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000356736059 394597918 /nfs/dbraw/zinc/59/79/18/394597918.db2.gz XNHDHFRICYZJHD-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CC(C)C ZINC000416259876 395040340 /nfs/dbraw/zinc/04/03/40/395040340.db2.gz IQMFTTPTYOKZEQ-JTQLQIEISA-N -1 0 296.323 2.091 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436795513 395154441 /nfs/dbraw/zinc/15/44/41/395154441.db2.gz ZAWJIHBITXIPDU-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436939853 395165563 /nfs/dbraw/zinc/16/55/63/395165563.db2.gz RQQXEZQYTJYDMK-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1=CCOCC1 ZINC000189917722 153113595 /nfs/dbraw/zinc/11/35/95/153113595.db2.gz HYNXPRAIDRCWPX-UHFFFAOYSA-N -1 0 298.682 2.239 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC(=O)[O-] ZINC000263110073 154017540 /nfs/dbraw/zinc/01/75/40/154017540.db2.gz VOAHSECGUFAEHA-UHFFFAOYSA-N -1 0 295.295 2.198 20 5 CEBDRM CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000263246424 154041707 /nfs/dbraw/zinc/04/17/07/154041707.db2.gz SGJPFMYNWKPFNM-CQSZACIVSA-N -1 0 294.307 2.195 20 5 CEBDRM CC(=O)c1cc(NCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000263420963 154083479 /nfs/dbraw/zinc/08/34/79/154083479.db2.gz PITKNSYTDFQQLJ-UHFFFAOYSA-N -1 0 266.253 2.074 20 5 CEBDRM O=C([N-]c1nncs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006329458 170191950 /nfs/dbraw/zinc/19/19/50/170191950.db2.gz LAXYEAKQTCCMMH-UHFFFAOYSA-N -1 0 284.684 2.352 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022623855 171394633 /nfs/dbraw/zinc/39/46/33/171394633.db2.gz MUTOVZRGSTWVCC-MRVPVSSYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000038026606 174012104 /nfs/dbraw/zinc/01/21/04/174012104.db2.gz BOTVVVALBBSWHB-QMMMGPOBSA-N -1 0 298.320 2.126 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000044467073 175177766 /nfs/dbraw/zinc/17/77/66/175177766.db2.gz GEBYCTKNMBNCTP-YFKPBYRVSA-N -1 0 289.085 2.242 20 5 CEBDRM CN(CC[C@@H]1CCCO1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000566799982 299023198 /nfs/dbraw/zinc/02/31/98/299023198.db2.gz QMFJYPPHVWOMPS-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM CCCCOCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184589593 262288439 /nfs/dbraw/zinc/28/84/39/262288439.db2.gz ZJZXQPGBJCFSJU-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184664562 262290860 /nfs/dbraw/zinc/29/08/60/262290860.db2.gz VFDTZLGGLVKJRT-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(/C=C/c1ccc[nH]1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000188642360 262332120 /nfs/dbraw/zinc/33/21/20/262332120.db2.gz XLWDMYYIISFFEP-ZZXKWVIFSA-N -1 0 273.248 2.280 20 5 CEBDRM Cc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)co1 ZINC000189795980 270264170 /nfs/dbraw/zinc/26/41/70/270264170.db2.gz ZNLRCDHFZRXENG-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM O=C(Nc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130420564 279936029 /nfs/dbraw/zinc/93/60/29/279936029.db2.gz OEUCVKLKVJKJFR-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000331989585 280389439 /nfs/dbraw/zinc/38/94/39/280389439.db2.gz PDXLTYUWMZMIEV-SNVBAGLBSA-N -1 0 264.281 2.171 20 5 CEBDRM CC1=CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000280610026 281672770 /nfs/dbraw/zinc/67/27/70/281672770.db2.gz AGESWFDHLCLBPF-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CN1c2ccccc2C(=O)N[C@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133715492 290320127 /nfs/dbraw/zinc/32/01/27/290320127.db2.gz IUHIQFLODNXRES-CQSZACIVSA-N -1 0 299.286 2.179 20 5 CEBDRM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000282846218 297373824 /nfs/dbraw/zinc/37/38/24/297373824.db2.gz VYEKYEAAGAGUGO-SXMVTHIZSA-N -1 0 280.280 2.052 20 5 CEBDRM CN(CC1CCCC1)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162427061 297452463 /nfs/dbraw/zinc/45/24/63/297452463.db2.gz GKMXFZBKBQZPHO-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM CC[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000514939323 297557939 /nfs/dbraw/zinc/55/79/39/297557939.db2.gz LVMSIWJPQJUDFH-PWSUYJOCSA-N -1 0 280.280 2.272 20 5 CEBDRM CC[C@H](O)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000517378146 297620787 /nfs/dbraw/zinc/62/07/87/297620787.db2.gz PJMPXRDADPPNFO-JTQLQIEISA-N -1 0 282.296 2.174 20 5 CEBDRM CC[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000567391148 299059978 /nfs/dbraw/zinc/05/99/78/299059978.db2.gz UMPYYABOZARKAZ-UWVGGRQHSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000191299409 300385368 /nfs/dbraw/zinc/38/53/68/300385368.db2.gz JYIMGOLIPCQJLF-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000094659096 301854979 /nfs/dbraw/zinc/85/49/79/301854979.db2.gz QCDRRAVBTKBXGH-ZDUSSCGKSA-N -1 0 264.281 2.204 20 5 CEBDRM Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182123109 302241200 /nfs/dbraw/zinc/24/12/00/302241200.db2.gz WDXXTUMDAYUBQG-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cc(N[C@H](C)C[C@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565035953 313791895 /nfs/dbraw/zinc/79/18/95/313791895.db2.gz QGKWJEDFSWLAEO-BDAKNGLRSA-N -1 0 282.296 2.173 20 5 CEBDRM CC1=C[C@H](C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000576947315 314326686 /nfs/dbraw/zinc/32/66/86/314326686.db2.gz NPCBYDFEQPXDLG-QMMMGPOBSA-N -1 0 277.280 2.090 20 5 CEBDRM CC1(C)OCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000381291159 321833312 /nfs/dbraw/zinc/83/33/12/321833312.db2.gz JNKWKWMXFBFYBP-NSHDSACASA-N -1 0 280.280 2.272 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000580567550 322327283 /nfs/dbraw/zinc/32/72/83/322327283.db2.gz CWOIPJLKQFPEDE-ZJUUUORDSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCCCC2)n1 ZINC000581432351 322395832 /nfs/dbraw/zinc/39/58/32/322395832.db2.gz SWMIBSZBVYUXBJ-UHFFFAOYSA-N -1 0 279.296 2.377 20 5 CEBDRM O=C([O-])c1cnc(N[C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000582907748 322511862 /nfs/dbraw/zinc/51/18/62/322511862.db2.gz MAZFRTKFSMOLCM-RKDXNWHRSA-N -1 0 283.259 2.381 20 5 CEBDRM CC[C@@H](O)CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000398569499 329444413 /nfs/dbraw/zinc/44/44/13/329444413.db2.gz OQDIXIHUNXRJSV-SNVBAGLBSA-N -1 0 282.296 2.256 20 5 CEBDRM CCCC[C@H](Nc1ncc([N+](=O)[O-])s1)C(=O)[O-] ZINC000226760198 521243934 /nfs/dbraw/zinc/24/39/34/521243934.db2.gz LJIQZIBDEIDSNZ-LURJTMIESA-N -1 0 259.287 2.107 20 5 CEBDRM O=C([O-])CCC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000050924183 527575538 /nfs/dbraw/zinc/57/55/38/527575538.db2.gz LTRJIYQOSUZLSF-UHFFFAOYSA-N -1 0 279.296 2.071 20 5 CEBDRM CC(C)Oc1ccc(=NCc2ccc([N+](=O)[O-])cc2)[n-]n1 ZINC000357698713 528133717 /nfs/dbraw/zinc/13/37/17/528133717.db2.gz KFMSHHNYURDEQA-UHFFFAOYSA-N -1 0 288.307 2.206 20 5 CEBDRM C[C@@H](CSCCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000736614165 574793145 /nfs/dbraw/zinc/79/31/45/574793145.db2.gz SZLLZGVEEHJYIT-VIFPVBQESA-N -1 0 285.321 2.428 20 5 CEBDRM Cc1ccc(C(=O)OCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738258312 574856217 /nfs/dbraw/zinc/85/62/17/574856217.db2.gz MWMFIIKYJVNEPS-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM CN(C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1)C(=O)[O-] ZINC000739644018 574929527 /nfs/dbraw/zinc/92/95/27/574929527.db2.gz JBOFXNPUSBEKLQ-SECBINFHSA-N -1 0 299.352 2.483 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740176153 574946736 /nfs/dbraw/zinc/94/67/36/574946736.db2.gz WZRTVBUUCIEBIY-MNOVXSKESA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])N1CC[C@@H](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000740496480 574956412 /nfs/dbraw/zinc/95/64/12/574956412.db2.gz FHOKVDTZFGOVSF-SNVBAGLBSA-N -1 0 279.296 2.397 20 5 CEBDRM O=C([O-])NC[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740645951 574962696 /nfs/dbraw/zinc/96/26/96/574962696.db2.gz PXJKXNCSBCIOQQ-QMMMGPOBSA-N -1 0 299.714 2.342 20 5 CEBDRM O=C([O-])Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000740712585 574965782 /nfs/dbraw/zinc/96/57/82/574965782.db2.gz XYEZJGLZMVGUFL-UHFFFAOYSA-N -1 0 290.235 2.265 20 5 CEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000054334625 599783775 /nfs/dbraw/zinc/78/37/75/599783775.db2.gz URIBODOFVSOGNT-QMMMGPOBSA-N -1 0 275.264 2.276 20 5 CEBDRM CC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000202035355 600542936 /nfs/dbraw/zinc/54/29/36/600542936.db2.gz MLKNQYMSVHZONI-UHFFFAOYSA-N -1 0 266.253 2.278 20 5 CEBDRM CC(C)C[C@@H](CNc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC000826779727 600817203 /nfs/dbraw/zinc/81/72/03/600817203.db2.gz IPVPGRGKJPQBFZ-VIFPVBQESA-N -1 0 267.285 2.149 20 5 CEBDRM CCc1cnc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000830295353 600837271 /nfs/dbraw/zinc/83/72/71/600837271.db2.gz IQFJPOSUTDPJOA-UHFFFAOYSA-N -1 0 292.247 2.422 20 5 CEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000833181410 600868944 /nfs/dbraw/zinc/86/89/44/600868944.db2.gz OJHWMAGAMOKZAB-BDAKNGLRSA-N -1 0 299.666 2.012 20 5 CEBDRM C/C(=C/COc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000214605122 601096915 /nfs/dbraw/zinc/09/69/15/601096915.db2.gz QTYOEVUSGSSHEY-DAXSKMNVSA-N -1 0 255.201 2.144 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000827324267 602186726 /nfs/dbraw/zinc/18/67/26/602186726.db2.gz BXXMIVJKWJTXGG-BDAKNGLRSA-N -1 0 281.264 2.310 20 5 CEBDRM CN(C[C@H]1CCCN1c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000828235559 603204760 /nfs/dbraw/zinc/20/47/60/603204760.db2.gz IAFQPABXUSPVNZ-MRVPVSSYSA-N -1 0 285.325 2.235 20 5 CEBDRM O=C([O-])NC1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000832211331 603455890 /nfs/dbraw/zinc/45/58/90/603455890.db2.gz YQXSVUAPLHXCRE-UHFFFAOYSA-N -1 0 293.279 2.114 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000825279939 604055090 /nfs/dbraw/zinc/05/50/90/604055090.db2.gz DIAZHEBJNFIKCZ-MNOVXSKESA-N -1 0 293.323 2.467 20 5 CEBDRM CCOc1cc(N[C@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000827417976 604218523 /nfs/dbraw/zinc/21/85/23/604218523.db2.gz HNGCHRJQHOZSOG-JTQLQIEISA-N -1 0 295.295 2.158 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000827901585 604220785 /nfs/dbraw/zinc/22/07/85/604220785.db2.gz XZELLRLSLAKUFA-SECBINFHSA-N -1 0 299.714 2.437 20 5 CEBDRM O=C([O-])c1cc(OC[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000708514975 604401924 /nfs/dbraw/zinc/40/19/24/604401924.db2.gz WVMJMQSELSJLRP-VIFPVBQESA-N -1 0 281.264 2.098 20 5 CEBDRM Cc1nc(NCC2CCN(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000830774521 604441527 /nfs/dbraw/zinc/44/15/27/604441527.db2.gz IQJOBMRXOROMPG-UHFFFAOYSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1nc(N[C@H]2CCC[C@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830775570 604442739 /nfs/dbraw/zinc/44/27/39/604442739.db2.gz QDYNVZOPIYWOBH-UWVGGRQHSA-N -1 0 294.311 2.146 20 5 CEBDRM CC[C@H](NC(=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000827551358 605120073 /nfs/dbraw/zinc/12/00/73/605120073.db2.gz OSOXCIUXFCKLPJ-VIFPVBQESA-N -1 0 292.251 2.364 20 5 CEBDRM C/C(=C\Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(=O)[O-] ZINC000833382767 605289418 /nfs/dbraw/zinc/28/94/18/605289418.db2.gz GUJPVCFEHCOEAT-BJMVGYQFSA-N -1 0 287.275 2.489 20 5 CEBDRM O=C([O-])N[C@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000834150037 605921860 /nfs/dbraw/zinc/92/18/60/605921860.db2.gz KXTDMIVSEVSNBE-LLVKDONJSA-N -1 0 265.269 2.053 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834188771 605962437 /nfs/dbraw/zinc/96/24/37/605962437.db2.gz CFTSNCVAUNBITF-SECBINFHSA-N -1 0 299.714 2.090 20 5 CEBDRM O=C([O-])NC[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000834216272 605991838 /nfs/dbraw/zinc/99/18/38/605991838.db2.gz RQQMBMBUFJNPMY-MRVPVSSYSA-N -1 0 285.325 2.140 20 5 CEBDRM CS[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075178487 625286369 /nfs/dbraw/zinc/28/63/69/625286369.db2.gz WKZZFJBDGQRHRA-ZJUUUORDSA-N -1 0 296.348 2.314 20 5 CEBDRM CCCN(CCC)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000311582613 627680492 /nfs/dbraw/zinc/68/04/92/627680492.db2.gz XNNCTDITOWAIGY-UHFFFAOYSA-N -1 0 267.285 2.314 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000312278456 628208966 /nfs/dbraw/zinc/20/89/66/628208966.db2.gz JLSVBFRARYJBKO-RKDXNWHRSA-N -1 0 279.296 2.313 20 5 CEBDRM O=C(N[C@@H]1C[C@@H]2CCC[C@H]12)c1cc([O-])ccc1[N+](=O)[O-] ZINC000889607393 630102275 /nfs/dbraw/zinc/10/22/75/630102275.db2.gz VWHSRCGHEAYWEY-PTOFAABTSA-N -1 0 276.292 2.219 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]1C(F)F ZINC000895431043 630181318 /nfs/dbraw/zinc/18/13/18/630181318.db2.gz JXJTTZFTWNICJV-JTQLQIEISA-N -1 0 258.224 2.140 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC=C(Cl)C1 ZINC000898196517 632109953 /nfs/dbraw/zinc/10/99/53/632109953.db2.gz RKMWNLXMEPJNBP-UHFFFAOYSA-N -1 0 282.683 2.269 20 5 CEBDRM O=C(O[C@H]1CCCC[C@@H]1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000811053342 632332809 /nfs/dbraw/zinc/33/28/09/632332809.db2.gz CACXWDZIUGFCIR-CBAPKCEASA-N -1 0 256.233 2.360 20 5 CEBDRM Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC000900965768 633911281 /nfs/dbraw/zinc/91/12/81/633911281.db2.gz PYUCRVGJYGDOOB-KNVOCYPGSA-N -1 0 256.283 2.240 20 5 CEBDRM Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000007357249 635590208 /nfs/dbraw/zinc/59/02/08/635590208.db2.gz XRGOMWSCTNKERZ-UHFFFAOYSA-N -1 0 299.333 2.039 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](CF)C2)n1 ZINC000906148892 636625066 /nfs/dbraw/zinc/62/50/66/636625066.db2.gz NCWNEBHVHDYBCH-SECBINFHSA-N -1 0 297.286 2.182 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000828645664 636648019 /nfs/dbraw/zinc/64/80/19/636648019.db2.gz TYHFSELOLWLTNF-NSHDSACASA-N -1 0 286.309 2.030 20 5 CEBDRM COC[C@H]1CCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910358673 638015121 /nfs/dbraw/zinc/01/51/21/638015121.db2.gz UJNDCCKFNVDKPN-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCCCO2)c1 ZINC000910385935 638032526 /nfs/dbraw/zinc/03/25/26/638032526.db2.gz IHSVDNGYLAMVIZ-UHFFFAOYSA-N -1 0 266.253 2.215 20 5 CEBDRM Cc1cc(N[C@H](C)C(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841490906 639776287 /nfs/dbraw/zinc/77/62/87/639776287.db2.gz MRVVPUOZPBFGAN-ZCFIWIBFSA-N -1 0 258.661 2.442 20 5 CEBDRM O=C(OCc1cccs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000917939429 640928178 /nfs/dbraw/zinc/92/81/78/640928178.db2.gz RTFBVGSRWUJTNL-UHFFFAOYSA-N -1 0 252.251 2.341 20 5 CEBDRM CC[C@@H](CNc1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000233885988 641344256 /nfs/dbraw/zinc/34/42/56/641344256.db2.gz QUFPFOKEGHDRNC-VIFPVBQESA-N -1 0 252.270 2.426 20 5 CEBDRM O=C(OC[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000847835527 641800698 /nfs/dbraw/zinc/80/06/98/641800698.db2.gz ALQLDOJAIMRMKP-JTQLQIEISA-N -1 0 287.275 2.205 20 5 CEBDRM CON(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000757656669 644831410 /nfs/dbraw/zinc/83/14/10/644831410.db2.gz RDFDIOMTIPVQBJ-UHFFFAOYSA-N -1 0 280.280 2.247 20 5 CEBDRM O=C(NOC1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000779322863 647311230 /nfs/dbraw/zinc/31/12/30/647311230.db2.gz ZIZLZOMRXOGWAV-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM CC(C)[C@H](F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000784454257 647851780 /nfs/dbraw/zinc/85/17/80/647851780.db2.gz DVQKVZWNTYXQFK-JTQLQIEISA-N -1 0 256.233 2.233 20 5 CEBDRM COC/C=C/C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000791392198 648515705 /nfs/dbraw/zinc/51/57/05/648515705.db2.gz KVLDUIJCDPLJRL-NSCUHMNNSA-N -1 0 286.671 2.095 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000869602681 648529524 /nfs/dbraw/zinc/52/95/24/648529524.db2.gz SPNCHVRSWARATH-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](CF)C1 ZINC000881598212 651814639 /nfs/dbraw/zinc/81/46/39/651814639.db2.gz BUTOHXVHQKVYGX-VIFPVBQESA-N -1 0 282.271 2.122 20 5 CEBDRM Cc1nnc([N-]c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC001211291020 802808189 /nfs/dbraw/zinc/80/81/89/802808189.db2.gz RFFUMNICNBOSKM-UHFFFAOYSA-N -1 0 279.212 2.246 20 5 CEBDRM CC(C)O[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001117770280 814946642 /nfs/dbraw/zinc/94/66/42/814946642.db2.gz QLKAHXRCHYYXKK-QMMMGPOBSA-N -1 0 270.260 2.294 20 5 CEBDRM COC[C@H](C)OC[C@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490378 804885088 /nfs/dbraw/zinc/88/50/88/804885088.db2.gz HQLIYFFFKQMMGG-UWVGGRQHSA-N -1 0 285.296 2.119 20 5 CEBDRM Cc1cc(N[C@H](C)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000133535900 813087360 /nfs/dbraw/zinc/08/73/60/813087360.db2.gz WEWJXRNLFGPKQE-RKDXNWHRSA-N -1 0 252.270 2.424 20 5 CEBDRM CCn1nccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502709 816029005 /nfs/dbraw/zinc/02/90/05/816029005.db2.gz YLWGKXKMOOAEKS-UHFFFAOYSA-N -1 0 276.252 2.253 20 5 CEBDRM O=C([O-])c1ccc(Nc2cncnc2Cl)cc1[N+](=O)[O-] ZINC001174502493 816029014 /nfs/dbraw/zinc/02/90/14/816029014.db2.gz RBYVJXAXCBFSBF-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=C(N[C@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000601704970 346883216 /nfs/dbraw/zinc/88/32/16/346883216.db2.gz QFKGLWCETJMQCJ-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM CCCN(CC(=O)[O-])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000042274915 362077536 /nfs/dbraw/zinc/07/75/36/362077536.db2.gz APJWBQPJIGCLEX-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000601941537 346935000 /nfs/dbraw/zinc/93/50/00/346935000.db2.gz CUPFQSFLMTZVHG-MRVPVSSYSA-N -1 0 263.228 2.237 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c([C@@H]2CCOC2)cc1=O ZINC000601943145 346935920 /nfs/dbraw/zinc/93/59/20/346935920.db2.gz PFLFPSQWUAAOAJ-SNVBAGLBSA-N -1 0 289.291 2.032 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCC1 ZINC000152510637 344425603 /nfs/dbraw/zinc/42/56/03/344425603.db2.gz WQURWUXAHMJUNS-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000148068709 344413090 /nfs/dbraw/zinc/41/30/90/344413090.db2.gz WQBBZKAJIUGTCO-ZCFIWIBFSA-N -1 0 262.187 2.334 20 5 CEBDRM C[C@@H]1CCC[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162422943 344467354 /nfs/dbraw/zinc/46/73/54/344467354.db2.gz GBSXTJAEZAYBHI-VXNVDRBHSA-N -1 0 265.269 2.289 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCC2CC2)n1 ZINC000166877243 344477224 /nfs/dbraw/zinc/47/72/24/344477224.db2.gz DKZMZOBYJPQLSX-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM O=C([O-])C1(CNc2ncc([N+](=O)[O-])s2)CCCCC1 ZINC000226764516 344551349 /nfs/dbraw/zinc/55/13/49/344551349.db2.gz JFACZUDIPFUJQC-UHFFFAOYSA-N -1 0 285.325 2.498 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000590913012 345198562 /nfs/dbraw/zinc/19/85/62/345198562.db2.gz GSJNJKGKPFDYSG-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM CCN(CCSC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000592918182 345414725 /nfs/dbraw/zinc/41/47/25/345414725.db2.gz NLMUSEVXUVZXNV-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM COC[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592966622 345417171 /nfs/dbraw/zinc/41/71/71/345417171.db2.gz CRXVVCSYHRPNGB-QMMMGPOBSA-N -1 0 268.269 2.048 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000592976156 345417829 /nfs/dbraw/zinc/41/78/29/345417829.db2.gz QXBZEBWAONRUGW-SNVBAGLBSA-N -1 0 291.307 2.314 20 5 CEBDRM C[C@H]1CC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592799599 345397842 /nfs/dbraw/zinc/39/78/42/345397842.db2.gz RYSKPVVSKWALFX-RCOVLWMOSA-N -1 0 284.699 2.482 20 5 CEBDRM Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000593760060 345533779 /nfs/dbraw/zinc/53/37/79/345533779.db2.gz MRYGHXVHSXNRQD-QWHCGFSZSA-N -1 0 290.319 2.450 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593886039 345548296 /nfs/dbraw/zinc/54/82/96/345548296.db2.gz HZABWFCSKZCUDK-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593887471 345548644 /nfs/dbraw/zinc/54/86/44/345548644.db2.gz UBQVRMCKHLWFIF-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179386525 232393941 /nfs/dbraw/zinc/39/39/41/232393941.db2.gz QEOJSZNCZRGAJF-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CC2(CC2)C1 ZINC000597443386 346186328 /nfs/dbraw/zinc/18/63/28/346186328.db2.gz SLHZTKLOYBVKGJ-UHFFFAOYSA-N -1 0 262.265 2.429 20 5 CEBDRM CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000597443856 346186974 /nfs/dbraw/zinc/18/69/74/346186974.db2.gz YPQXOJBIEDYDTB-LBPRGKRZSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000517576096 313111838 /nfs/dbraw/zinc/11/18/38/313111838.db2.gz PTJPKNDUMCWKIS-WPRPVWTQSA-N -1 0 284.337 2.341 20 5 CEBDRM Cc1c(NC(=O)C[C@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000061834896 362691965 /nfs/dbraw/zinc/69/19/65/362691965.db2.gz ANSWSXVSMCQCOU-QMMMGPOBSA-N -1 0 280.280 2.343 20 5 CEBDRM CC(C)[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000598382204 346342904 /nfs/dbraw/zinc/34/29/04/346342904.db2.gz VBOHFBCGQXISTD-ZDUSSCGKSA-N -1 0 278.308 2.465 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598386496 346343567 /nfs/dbraw/zinc/34/35/67/346343567.db2.gz PZWUDDYRANRRPO-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598514400 346368980 /nfs/dbraw/zinc/36/89/80/346368980.db2.gz APDDDKMKXFWYFF-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598782654 346419318 /nfs/dbraw/zinc/41/93/18/346419318.db2.gz NJNAMVOKQKGFEB-MRVPVSSYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n[nH]1 ZINC000063111196 362750688 /nfs/dbraw/zinc/75/06/88/362750688.db2.gz NQWSQLXFLMYKIW-UHFFFAOYSA-N -1 0 290.279 2.399 20 5 CEBDRM C[C@]1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000600489011 346643570 /nfs/dbraw/zinc/64/35/70/346643570.db2.gz DHSZHXGZVWHADU-RTUWITSCSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C([O-])c1cnc(N2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000600677763 346671808 /nfs/dbraw/zinc/67/18/08/346671808.db2.gz APSKRUNKJBQFBJ-UHFFFAOYSA-N -1 0 291.307 2.459 20 5 CEBDRM CCC[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OCC ZINC000600677401 346672100 /nfs/dbraw/zinc/67/21/00/346672100.db2.gz FBPALINBGYOHTD-SECBINFHSA-N -1 0 297.311 2.305 20 5 CEBDRM CO[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000600679518 346672447 /nfs/dbraw/zinc/67/24/47/346672447.db2.gz XNNFPQKIYFXQAR-WAAGHKOSSA-N -1 0 280.280 2.130 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1OC2CCC1CC2 ZINC000603033221 347275301 /nfs/dbraw/zinc/27/53/01/347275301.db2.gz XIENTNAYQHQXNQ-UHFFFAOYSA-N -1 0 264.281 2.359 20 5 CEBDRM CCCN=c1[n-]nc(Sc2cccnc2[N+](=O)[O-])s1 ZINC000603845297 347391834 /nfs/dbraw/zinc/39/18/34/347391834.db2.gz XJIOPKNYKDKRPJ-UHFFFAOYSA-N -1 0 297.365 2.236 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(F)(F)CC1 ZINC000619457455 349185612 /nfs/dbraw/zinc/18/56/12/349185612.db2.gz MXKODCUJQWLBJO-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCSCC1 ZINC000271408749 191121597 /nfs/dbraw/zinc/12/15/97/191121597.db2.gz DJYHVFWTQHRZRF-UHFFFAOYSA-N -1 0 282.321 2.382 20 5 CEBDRM Cc1nc(NC[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000123531649 187097136 /nfs/dbraw/zinc/09/71/36/187097136.db2.gz CRPHPEVRLUHKMY-SNVBAGLBSA-N -1 0 281.312 2.457 20 5 CEBDRM Cc1cnc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000356326168 370660376 /nfs/dbraw/zinc/66/03/76/370660376.db2.gz YKTQOFMSWPGDRC-UHFFFAOYSA-N -1 0 293.304 2.247 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000155335626 188199701 /nfs/dbraw/zinc/19/97/01/188199701.db2.gz ZDCAWZOJKKVSJQ-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM CCC(=O)c1ccc(Sc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000337941427 366186066 /nfs/dbraw/zinc/18/60/66/366186066.db2.gz HNGQMYCUYTWTBC-UHFFFAOYSA-N -1 0 294.292 2.162 20 5 CEBDRM Cn1cnc([N+](=O)[O-])c1N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000416442898 236818459 /nfs/dbraw/zinc/81/84/59/236818459.db2.gz UYLAJPNMOOEQLT-QMMMGPOBSA-N -1 0 284.316 2.020 20 5 CEBDRM Cc1cc(NC(=O)NOCC2CC2)ccc1[N+](=O)[O-] ZINC000296893234 200027478 /nfs/dbraw/zinc/02/74/78/200027478.db2.gz RGXKXXITFGZFLH-UHFFFAOYSA-N -1 0 265.269 2.366 20 5 CEBDRM CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000578848200 366555479 /nfs/dbraw/zinc/55/54/79/366555479.db2.gz SJNIKGOJICEJIS-SSDOTTSWSA-N -1 0 290.222 2.471 20 5 CEBDRM CCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000178295084 189104069 /nfs/dbraw/zinc/10/40/69/189104069.db2.gz SRJQJFOIXAAUSV-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000178453923 189117974 /nfs/dbraw/zinc/11/79/74/189117974.db2.gz JAIKEFSYPSHSMQ-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179424759 189193595 /nfs/dbraw/zinc/19/35/95/189193595.db2.gz BGYSUUSUFNLZND-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@@H]1SCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000179507627 189198618 /nfs/dbraw/zinc/19/86/18/189198618.db2.gz DGVKSRYVUCULAC-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000580030861 366738584 /nfs/dbraw/zinc/73/85/84/366738584.db2.gz AXNPKSKIVMCNEQ-BYCRGOAPSA-N -1 0 292.291 2.052 20 5 CEBDRM O=[N+]([O-])c1cccc(CCN=c2nc(C3CC3)[n-]s2)c1 ZINC000340083171 366765779 /nfs/dbraw/zinc/76/57/79/366765779.db2.gz QMAXGLMSQMXJPW-UHFFFAOYSA-N -1 0 290.348 2.400 20 5 CEBDRM CCCCO[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531725 363978091 /nfs/dbraw/zinc/97/80/91/363978091.db2.gz WCMDJDOTPDTESD-SECBINFHSA-N -1 0 282.296 2.444 20 5 CEBDRM CC1(C)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092545975 364080899 /nfs/dbraw/zinc/08/08/99/364080899.db2.gz CETQHXYETOGBSX-MRVPVSSYSA-N -1 0 250.254 2.285 20 5 CEBDRM CS[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092549159 364080911 /nfs/dbraw/zinc/08/09/11/364080911.db2.gz BQFHCAFWIAGHLW-SSDOTTSWSA-N -1 0 270.310 2.381 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356603950 370770587 /nfs/dbraw/zinc/77/05/87/370770587.db2.gz WCOISTHJJNGJKV-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM CCc1nn(C)c(NC[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000094703223 364289435 /nfs/dbraw/zinc/28/94/35/364289435.db2.gz GTOUZPXFTWIMRO-VIFPVBQESA-N -1 0 298.343 2.050 20 5 CEBDRM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000094703368 364289457 /nfs/dbraw/zinc/28/94/57/364289457.db2.gz AAZSVVGCRVSRHA-VIFPVBQESA-N -1 0 267.285 2.149 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(Cc3cccnc3)no2)c1 ZINC000340648083 366968604 /nfs/dbraw/zinc/96/86/04/366968604.db2.gz HEBQOEWKAAOLCM-UHFFFAOYSA-N -1 0 298.258 2.336 20 5 CEBDRM CC[C@]1(C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000583443632 367050261 /nfs/dbraw/zinc/05/02/61/367050261.db2.gz XGJNTQCCQJNCBK-CQSZACIVSA-N -1 0 294.307 2.298 20 5 CEBDRM CC(C)OCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166085141 367318348 /nfs/dbraw/zinc/31/83/48/367318348.db2.gz DSEZVJQZAFXVIA-UHFFFAOYSA-N -1 0 282.296 2.444 20 5 CEBDRM CS[C@H](C)CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166161698 367319725 /nfs/dbraw/zinc/31/97/25/367319725.db2.gz XENKJDXHTGVADB-SSDOTTSWSA-N -1 0 270.310 2.381 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1C(F)F ZINC000343383580 367783126 /nfs/dbraw/zinc/78/31/26/367783126.db2.gz ZHSDVYWVQCARIJ-SNVBAGLBSA-N -1 0 286.234 2.170 20 5 CEBDRM CC(C)(O)[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572605751 299383960 /nfs/dbraw/zinc/38/39/60/299383960.db2.gz XKYYDKZBUAYBRV-GFCCVEGCSA-N -1 0 294.307 2.033 20 5 CEBDRM Cc1cnccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000185891733 368882437 /nfs/dbraw/zinc/88/24/37/368882437.db2.gz ITPGJHXQLQHDBI-UHFFFAOYSA-N -1 0 287.275 2.185 20 5 CEBDRM CCCOCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186070212 368914884 /nfs/dbraw/zinc/91/48/84/368914884.db2.gz UCOFNWUTCLXISU-UHFFFAOYSA-N -1 0 288.687 2.319 20 5 CEBDRM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000572768463 299397881 /nfs/dbraw/zinc/39/78/81/299397881.db2.gz AXXHXXABVVJXDC-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000330780201 203227612 /nfs/dbraw/zinc/22/76/12/203227612.db2.gz NNOFOYHGCASKAG-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM CC[C@@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000190906796 369660970 /nfs/dbraw/zinc/66/09/70/369660970.db2.gz ZJMXXIQCUPUXRW-SNVBAGLBSA-N -1 0 294.307 2.113 20 5 CEBDRM CC[C@H](NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(=O)[O-] ZINC000190906779 369661582 /nfs/dbraw/zinc/66/15/82/369661582.db2.gz ZJMXXIQCUPUXRW-JTQLQIEISA-N -1 0 294.307 2.113 20 5 CEBDRM CCCCN(CCOC)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352688494 369837482 /nfs/dbraw/zinc/83/74/82/369837482.db2.gz CXQQUWOUZZHMHW-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561868 370591912 /nfs/dbraw/zinc/59/19/12/370591912.db2.gz XFXQVSGKWJNFKQ-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000358924594 371268377 /nfs/dbraw/zinc/26/83/77/371268377.db2.gz COPUAZQQVFBUKD-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM CCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000275083444 374147916 /nfs/dbraw/zinc/14/79/16/374147916.db2.gz FXSKBKKNWRZXTI-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1SCCS1 ZINC000275114386 374157205 /nfs/dbraw/zinc/15/72/05/374157205.db2.gz LYIHAEYCVLFRNM-UHFFFAOYSA-N -1 0 286.334 2.045 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(C3CCOCC3)no2)cc1[O-] ZINC000276712465 374273663 /nfs/dbraw/zinc/27/36/63/374273663.db2.gz YDAJAKARUZBYFC-UHFFFAOYSA-N -1 0 291.263 2.244 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)[C@H](C)C2)n1 ZINC000573805791 299458074 /nfs/dbraw/zinc/45/80/74/299458074.db2.gz PIGLQGRYVKRKFP-HTQZYQBOSA-N -1 0 279.296 2.089 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000380370974 375163392 /nfs/dbraw/zinc/16/33/92/375163392.db2.gz UZKVHSXTSXOPIW-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM COC[C@@]1(C)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000381396391 375174346 /nfs/dbraw/zinc/17/43/46/375174346.db2.gz OTXZIWMRYMORJI-AWEZNQCLSA-N -1 0 294.307 2.156 20 5 CEBDRM O=C([O-])c1cc(NCC2=CCOCC2)ccc1[N+](=O)[O-] ZINC000397834256 375343628 /nfs/dbraw/zinc/34/36/28/375343628.db2.gz LUZHZEHSHUQKHQ-UHFFFAOYSA-N -1 0 278.264 2.052 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262195933 190050476 /nfs/dbraw/zinc/05/04/76/190050476.db2.gz UCSOEHONRSGZRX-VIFPVBQESA-N -1 0 294.307 2.410 20 5 CEBDRM CN(CCC1CC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262825819 190063477 /nfs/dbraw/zinc/06/34/77/190063477.db2.gz BWSTVPGOVLLKGT-UHFFFAOYSA-N -1 0 292.291 2.165 20 5 CEBDRM CCC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000291036842 377043523 /nfs/dbraw/zinc/04/35/23/377043523.db2.gz HRPCVJYYMMGJMF-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CCCC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000291109078 377074643 /nfs/dbraw/zinc/07/46/43/377074643.db2.gz BREAGPSRPCLOJR-SECBINFHSA-N -1 0 281.312 2.346 20 5 CEBDRM CO[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000565035785 377538342 /nfs/dbraw/zinc/53/83/42/377538342.db2.gz MGWOSIDQWVPOFY-CYBMUJFWSA-N -1 0 294.307 2.059 20 5 CEBDRM C[C@@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C)O1 ZINC000566291488 377752427 /nfs/dbraw/zinc/75/24/27/377752427.db2.gz SCBTWVWVWPTVNL-AYMMMOKOSA-N -1 0 295.295 2.056 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(CF)CC1 ZINC000295694369 378267734 /nfs/dbraw/zinc/26/77/34/378267734.db2.gz IKSSYUGPKQVCJG-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM Cc1cc(NC[C@H](CC(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000094703285 184844013 /nfs/dbraw/zinc/84/40/13/184844013.db2.gz JOUDYLUHPXZUIS-JTQLQIEISA-N -1 0 281.312 2.457 20 5 CEBDRM CSCCCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000281638408 195317748 /nfs/dbraw/zinc/31/77/48/195317748.db2.gz NBKMFYUMRQIWKG-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM CCCC[C@H](Nc1c([N+](=O)[O-])nc(C)n1CC)C(=O)[O-] ZINC000261717405 394606509 /nfs/dbraw/zinc/60/65/09/394606509.db2.gz JZMAXWQLLJYTDS-VIFPVBQESA-N -1 0 284.316 2.175 20 5 CEBDRM CCC[C@@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC ZINC000358304229 394717384 /nfs/dbraw/zinc/71/73/84/394717384.db2.gz VQABNYDRRCUURT-CQSZACIVSA-N -1 0 296.323 2.122 20 5 CEBDRM CCCn1nccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130400639 394887495 /nfs/dbraw/zinc/88/74/95/394887495.db2.gz QXZPWGMCZFKVAN-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000436839713 395158206 /nfs/dbraw/zinc/15/82/06/395158206.db2.gz VARDDURVUVJROD-VIFPVBQESA-N -1 0 292.213 2.371 20 5 CEBDRM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000436956560 395166943 /nfs/dbraw/zinc/16/69/43/395166943.db2.gz NIFSQYFGRSQKGD-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM CCOCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566295083 395510788 /nfs/dbraw/zinc/51/07/88/395510788.db2.gz QFNJYTXRFZXSKM-UHFFFAOYSA-N -1 0 282.296 2.440 20 5 CEBDRM CCO[C@@H]1CCC[C@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573850684 395621026 /nfs/dbraw/zinc/62/10/26/395621026.db2.gz YUJCLNCQXFJNLT-NXEZZACHSA-N -1 0 295.295 2.058 20 5 CEBDRM CC[C@@](C)(OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000360021614 155190975 /nfs/dbraw/zinc/19/09/75/155190975.db2.gz GELWCYOORQAHRH-GFCCVEGCSA-N -1 0 268.269 2.054 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315782 153298462 /nfs/dbraw/zinc/29/84/62/153298462.db2.gz MHZSOFXPMOVABG-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000263264391 154043970 /nfs/dbraw/zinc/04/39/70/154043970.db2.gz KMOLIJODTVFOKU-PGLGOXFNSA-N -1 0 292.291 2.052 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC(=O)[O-] ZINC000263419909 154082017 /nfs/dbraw/zinc/08/20/17/154082017.db2.gz PDQAMLYUYAOURK-UHFFFAOYSA-N -1 0 266.253 2.074 20 5 CEBDRM C[C@@H](CN(C)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000263539364 154122231 /nfs/dbraw/zinc/12/22/31/154122231.db2.gz BOXAQVSVSTXGKV-ZETCQYMHSA-N -1 0 272.688 2.405 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165005173 162340425 /nfs/dbraw/zinc/34/04/25/162340425.db2.gz NHSXZLOUGBHPHN-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM O=C([O-])[C@H](Cc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000019754075 170854314 /nfs/dbraw/zinc/85/43/14/170854314.db2.gz RERMUUTZXMGBGW-NSHDSACASA-N -1 0 287.275 2.098 20 5 CEBDRM O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000035426515 172193892 /nfs/dbraw/zinc/19/38/92/172193892.db2.gz XSJRDHHRSFJDRE-UHFFFAOYSA-N -1 0 282.233 2.200 20 5 CEBDRM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000037453263 173219220 /nfs/dbraw/zinc/21/92/20/173219220.db2.gz HJORABWXQMCKLM-JTQLQIEISA-N -1 0 256.233 2.255 20 5 CEBDRM Cc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000037584968 173531064 /nfs/dbraw/zinc/53/10/64/173531064.db2.gz KMEZOEKETGVOMA-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM CC(C)C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000043441737 175045936 /nfs/dbraw/zinc/04/59/36/175045936.db2.gz FSUFCSHKVUOKTB-SSDOTTSWSA-N -1 0 298.324 2.215 20 5 CEBDRM CCc1ccc(OCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000070497353 175957740 /nfs/dbraw/zinc/95/77/40/175957740.db2.gz QDMHNKWPBCPOMD-UHFFFAOYSA-N -1 0 253.254 2.401 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000458118562 289879617 /nfs/dbraw/zinc/87/96/17/289879617.db2.gz VKUQWKJZWBTZJT-WDEREUQCSA-N -1 0 264.281 2.075 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)[C@H](C)O1 ZINC000521050104 260260159 /nfs/dbraw/zinc/26/01/59/260260159.db2.gz ADYFKYSLJPOULK-BBBLOLIVSA-N -1 0 294.307 2.295 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000393452613 262364873 /nfs/dbraw/zinc/36/48/73/262364873.db2.gz YAOMDULZYSBMLU-ONGXEEELSA-N -1 0 276.292 2.315 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000225823030 270309018 /nfs/dbraw/zinc/30/90/18/270309018.db2.gz DAYNFBYXCPCCCL-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436767896 271688787 /nfs/dbraw/zinc/68/87/87/271688787.db2.gz HATZFLZFXMZFON-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM Cc1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000398907933 280700692 /nfs/dbraw/zinc/70/06/92/280700692.db2.gz NKQMTTUMEWGEJH-ONGXEEELSA-N -1 0 278.308 2.450 20 5 CEBDRM CC1(C)CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000279975274 281102954 /nfs/dbraw/zinc/10/29/54/281102954.db2.gz URZGZEJIKAPSOV-NSHDSACASA-N -1 0 280.280 2.197 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456297413 289581560 /nfs/dbraw/zinc/58/15/60/289581560.db2.gz LBUMSHJXBWUSJB-QWRGUYRKSA-N -1 0 278.308 2.322 20 5 CEBDRM CCC(C)(C)OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000457722142 289817255 /nfs/dbraw/zinc/81/72/55/289817255.db2.gz XBQHLUIOZAJJMD-UHFFFAOYSA-N -1 0 282.296 2.444 20 5 CEBDRM CSC[C@@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486964483 290324416 /nfs/dbraw/zinc/32/44/16/290324416.db2.gz HXKHDFXDKNSXOM-MRVPVSSYSA-N -1 0 294.336 2.230 20 5 CEBDRM O=C(/C=C\c1ccc[nH]1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000491967208 290558184 /nfs/dbraw/zinc/55/81/84/290558184.db2.gz XLWDMYYIISFFEP-UTCJRWHESA-N -1 0 273.248 2.280 20 5 CEBDRM C[C@@H]1OCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000189795189 297573155 /nfs/dbraw/zinc/57/31/55/297573155.db2.gz AKFZUWUAERZSFF-WCBMZHEXSA-N -1 0 280.280 2.054 20 5 CEBDRM CC1(C)CC(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000548056852 298390180 /nfs/dbraw/zinc/39/01/80/298390180.db2.gz FNFDXOGAKBGYFC-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C2CCC1CC2 ZINC000542792634 313446885 /nfs/dbraw/zinc/44/68/85/313446885.db2.gz FLPBGQTZSCSMMN-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM C[C@H](C[C@H]1CCCO1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563208029 313722565 /nfs/dbraw/zinc/72/25/65/313722565.db2.gz UGQXEUBNVRZENJ-RKDXNWHRSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C([O-])c1cc(NCCCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000565776803 313837372 /nfs/dbraw/zinc/83/73/72/313837372.db2.gz LKPAQONTYIMSIF-UHFFFAOYSA-N -1 0 294.307 2.400 20 5 CEBDRM CO[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000569697033 314010736 /nfs/dbraw/zinc/01/07/36/314010736.db2.gz GEWPLNVCCPMFPJ-NSHDSACASA-N -1 0 294.307 2.217 20 5 CEBDRM CO[C@@H](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000577733908 314407684 /nfs/dbraw/zinc/40/76/84/314407684.db2.gz IMXXCNBFNVCWQU-VIFPVBQESA-N -1 0 282.296 2.438 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000382253142 321838591 /nfs/dbraw/zinc/83/85/91/321838591.db2.gz KUPDAXFUOIUPOG-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM Cc1cccc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000580773844 322342582 /nfs/dbraw/zinc/34/25/82/322342582.db2.gz KSTMRTIRWOPLEK-ONGXEEELSA-N -1 0 278.308 2.450 20 5 CEBDRM CCO[C@H](CC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000584148865 327049632 /nfs/dbraw/zinc/04/96/32/327049632.db2.gz PSJSAACCBORUAP-LLVKDONJSA-N -1 0 268.269 2.054 20 5 CEBDRM Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000105564812 534404680 /nfs/dbraw/zinc/40/46/80/534404680.db2.gz FSORKLKOZGCACQ-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061834887 526080227 /nfs/dbraw/zinc/08/02/27/526080227.db2.gz BGXZQUJPWDEEGQ-MRVPVSSYSA-N -1 0 280.280 2.343 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000054297539 527635127 /nfs/dbraw/zinc/63/51/27/527635127.db2.gz HQMTUPKBPCLNRW-SNVBAGLBSA-N -1 0 264.281 2.286 20 5 CEBDRM CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179455727 527688133 /nfs/dbraw/zinc/68/81/33/527688133.db2.gz IUHSCJGNMBGFEL-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000738579651 574481383 /nfs/dbraw/zinc/48/13/83/574481383.db2.gz DODYDKOHXKRWGF-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM COCCCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000737759764 574507572 /nfs/dbraw/zinc/50/75/72/574507572.db2.gz LGMAKJCMPFALLH-UHFFFAOYSA-N -1 0 283.280 2.489 20 5 CEBDRM CC(C)C[C@H](CNC(=O)[O-])Nc1ncccc1[N+](=O)[O-] ZINC000738806236 574763015 /nfs/dbraw/zinc/76/30/15/574763015.db2.gz FCPULLFDOXRKNP-SECBINFHSA-N -1 0 282.300 2.084 20 5 CEBDRM CC(C)(NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000736338831 574783451 /nfs/dbraw/zinc/78/34/51/574783451.db2.gz GJWXTNVFMIOXHL-UHFFFAOYSA-N -1 0 292.291 2.211 20 5 CEBDRM C[C@@H]1C[C@@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736762509 574795974 /nfs/dbraw/zinc/79/59/74/574795974.db2.gz BGBDNBOBEWONJZ-XRGYYRRGSA-N -1 0 281.224 2.022 20 5 CEBDRM CC(C)(CC(=O)OCc1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738737853 574875845 /nfs/dbraw/zinc/87/58/45/574875845.db2.gz YZWRPBFLSWKHJC-UHFFFAOYSA-N -1 0 296.279 2.074 20 5 CEBDRM CN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739664448 574930168 /nfs/dbraw/zinc/93/01/68/574930168.db2.gz QKXPAHCXCXYXNE-JTQLQIEISA-N -1 0 279.296 2.031 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740598232 574960893 /nfs/dbraw/zinc/96/08/93/574960893.db2.gz LAUOXQOOJWJHIV-MRVPVSSYSA-N -1 0 285.687 2.095 20 5 CEBDRM O=C(OCC1CCSCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000747152640 575167663 /nfs/dbraw/zinc/16/76/63/575167663.db2.gz RRHFLRACZPYXLO-UHFFFAOYSA-N -1 0 270.310 2.223 20 5 CEBDRM Cc1nnc([C@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000833017781 600804862 /nfs/dbraw/zinc/80/48/62/600804862.db2.gz IOGLIMIYXOKQSR-LURJTMIESA-N -1 0 293.235 2.124 20 5 CEBDRM CC(C)C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000826813183 600955309 /nfs/dbraw/zinc/95/53/09/600955309.db2.gz MZLRTBSAECIXSI-GFCCVEGCSA-N -1 0 295.291 2.180 20 5 CEBDRM C/C(=C\CN(C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825729549 601155935 /nfs/dbraw/zinc/15/59/35/601155935.db2.gz GMTUHNAPFMWUAC-JXMROGBWSA-N -1 0 264.281 2.058 20 5 CEBDRM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000829346621 601383174 /nfs/dbraw/zinc/38/31/74/601383174.db2.gz BMBGAQLLVCLHRT-SNVBAGLBSA-N -1 0 267.285 2.435 20 5 CEBDRM C/C(=C/COC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000825781068 601408027 /nfs/dbraw/zinc/40/80/27/601408027.db2.gz OSVPJRITNRTOOR-VURMDHGXSA-N -1 0 279.248 2.091 20 5 CEBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000825774732 601420667 /nfs/dbraw/zinc/42/06/67/601420667.db2.gz GZRASBAZOYFSMC-WEVVVXLNSA-N -1 0 279.248 2.091 20 5 CEBDRM C/C(=C\COC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825763940 601605598 /nfs/dbraw/zinc/60/55/98/601605598.db2.gz AWVSNUODQAUWAX-JXMROGBWSA-N -1 0 293.275 2.102 20 5 CEBDRM CC(C)[C@@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000826723214 601605607 /nfs/dbraw/zinc/60/56/07/601605607.db2.gz QQZMIYFMBLCYRV-CYBMUJFWSA-N -1 0 295.291 2.180 20 5 CEBDRM Cc1nc(C(=O)[O-])cn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832996294 601639836 /nfs/dbraw/zinc/63/98/36/601639836.db2.gz QHPQTDLJGJFHOJ-UHFFFAOYSA-N -1 0 295.682 2.500 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000827324754 602186706 /nfs/dbraw/zinc/18/67/06/602186706.db2.gz KQWGIMGVZMJSQG-RKDXNWHRSA-N -1 0 281.264 2.310 20 5 CEBDRM CCN(CCC(=O)[O-])c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000829705124 602237791 /nfs/dbraw/zinc/23/77/91/602237791.db2.gz QEBDEKNQMTYTLC-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N(C)C2CCN(C(=O)[O-])CC2)c1 ZINC000830428429 603885094 /nfs/dbraw/zinc/88/50/94/603885094.db2.gz VNTCUNRKTPSIIW-UHFFFAOYSA-N -1 0 293.323 2.482 20 5 CEBDRM Cc1cc(NC2CCC(NC(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000830116903 603892559 /nfs/dbraw/zinc/89/25/59/603892559.db2.gz PNXRVHBRRDRMNM-UHFFFAOYSA-N -1 0 294.311 2.289 20 5 CEBDRM CCN(CCCNc1ccc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000827129432 604440976 /nfs/dbraw/zinc/44/09/76/604440976.db2.gz HRNCAOOIXOHEHY-UHFFFAOYSA-N -1 0 282.300 2.100 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cc(F)ccc2[N+](=O)[O-])O1 ZINC000833576671 604885259 /nfs/dbraw/zinc/88/52/59/604885259.db2.gz CMPVSBSLNJILQB-VIFPVBQESA-N -1 0 297.238 2.260 20 5 CEBDRM CC(C)(C)OC(=O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833433485 605185747 /nfs/dbraw/zinc/18/57/47/605185747.db2.gz BJPNVUVBZOHIAG-UHFFFAOYSA-N -1 0 296.279 2.047 20 5 CEBDRM CCc1cc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])on1 ZINC000833670855 605188140 /nfs/dbraw/zinc/18/81/40/605188140.db2.gz CXTTZNNNMCFBBD-UHFFFAOYSA-N -1 0 291.263 2.456 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000825843534 605490335 /nfs/dbraw/zinc/49/03/35/605490335.db2.gz ATBFWXRCMZQDLA-UWVGGRQHSA-N -1 0 279.296 2.220 20 5 CEBDRM CCOc1cc(NC[C@@H](C)CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861356 605800734 /nfs/dbraw/zinc/80/07/34/605800734.db2.gz JUIULZJPMXWYRS-SECBINFHSA-N -1 0 297.311 2.309 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](CNC(=O)[O-])C[C@H]2C)c1 ZINC000833907552 605865077 /nfs/dbraw/zinc/86/50/77/605865077.db2.gz MAGSUCSFRFCSMJ-MNOVXSKESA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000834216274 605991601 /nfs/dbraw/zinc/99/16/01/605991601.db2.gz RQQMBMBUFJNPMY-QMMMGPOBSA-N -1 0 285.325 2.140 20 5 CEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)cs1 ZINC000120073946 622547388 /nfs/dbraw/zinc/54/73/88/622547388.db2.gz ANUOYLFLJNVBBR-UHFFFAOYSA-N -1 0 284.318 2.457 20 5 CEBDRM COc1c(O)ccc(CN[C@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000894518804 629508886 /nfs/dbraw/zinc/50/88/86/629508886.db2.gz OKKMZLMURGGGMQ-ZCFIWIBFSA-N -1 0 294.229 2.349 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000899404521 632834020 /nfs/dbraw/zinc/83/40/20/632834020.db2.gz GTVSZKGXFWBTKP-LLHIFLOGSA-N -1 0 290.319 2.322 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000900978556 633905173 /nfs/dbraw/zinc/90/51/73/633905173.db2.gz LWKQXHKHUFIDRY-RQJHMYQMSA-N -1 0 256.283 2.322 20 5 CEBDRM CC(C)(C)N1CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000901218167 633993616 /nfs/dbraw/zinc/99/36/16/633993616.db2.gz NJRNXQRSEUYWCE-LLVKDONJSA-N -1 0 293.323 2.112 20 5 CEBDRM C/C(=C/CNc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000906148722 636624960 /nfs/dbraw/zinc/62/49/60/636624960.db2.gz KAAJATQWVAJKOT-YVMONPNESA-N -1 0 250.254 2.346 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000834659989 637909553 /nfs/dbraw/zinc/90/95/53/637909553.db2.gz HRXWJUPZXIPRBO-RKDXNWHRSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])C12CC(C1)CN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC000910465910 638063403 /nfs/dbraw/zinc/06/34/03/638063403.db2.gz GGQQEMVFPFOBCV-UHFFFAOYSA-N -1 0 299.286 2.196 20 5 CEBDRM O=C([O-])[C@]12CN(c3ccc([N+](=O)[O-])nc3)C[C@H]1CCCC2 ZINC000910475368 638068767 /nfs/dbraw/zinc/06/87/67/638068767.db2.gz IIPWRAWENCUXKJ-QMTHXVAHSA-N -1 0 291.307 2.071 20 5 CEBDRM O=C(C[C@@H]1CCCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837571238 639288219 /nfs/dbraw/zinc/28/82/19/639288219.db2.gz RVUMSTRDABAQSP-LBPRGKRZSA-N -1 0 295.291 2.303 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1C[C@@H]1C1CC1 ZINC000837743249 639372145 /nfs/dbraw/zinc/37/21/45/639372145.db2.gz JNRNXFOSFAHJBE-NEPJUHHUSA-N -1 0 277.276 2.390 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1NCC(C)(C)C(=O)[O-] ZINC000841506709 639779252 /nfs/dbraw/zinc/77/92/52/639779252.db2.gz YENSSNCGIGRRCJ-UHFFFAOYSA-N -1 0 280.280 2.320 20 5 CEBDRM C[C@H](C[C@H](C)O)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211113 640632956 /nfs/dbraw/zinc/63/29/56/640632956.db2.gz UPPHZUXDTWNIMT-HANDCERCSA-N -1 0 294.307 2.264 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000844209147 640633135 /nfs/dbraw/zinc/63/31/35/640633135.db2.gz VGUPDFSHHBAWQN-JTQLQIEISA-N -1 0 282.271 2.160 20 5 CEBDRM CC[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844215988 640634658 /nfs/dbraw/zinc/63/46/58/640634658.db2.gz VYEHSGRQCFOXHP-SNVBAGLBSA-N -1 0 278.308 2.458 20 5 CEBDRM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918498315 640965111 /nfs/dbraw/zinc/96/51/11/640965111.db2.gz ABPQFLVNRSXGOW-UHFFFAOYSA-N -1 0 291.219 2.188 20 5 CEBDRM O=C(OCCCOC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918515589 640966973 /nfs/dbraw/zinc/96/69/73/640966973.db2.gz YELBAROHWIROPD-UHFFFAOYSA-N -1 0 282.296 2.429 20 5 CEBDRM CSCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920959851 641214591 /nfs/dbraw/zinc/21/45/91/641214591.db2.gz JEXDOUBEUJCEMA-HYXAFXHYSA-N -1 0 282.321 2.468 20 5 CEBDRM Nc1ccc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000852913442 643596882 /nfs/dbraw/zinc/59/68/82/643596882.db2.gz VEBWDEBZOCMYDF-SNVBAGLBSA-N -1 0 279.296 2.090 20 5 CEBDRM Cc1cc(OCC(=O)[N-]OCC2CCC2)ccc1[N+](=O)[O-] ZINC000856351877 644647490 /nfs/dbraw/zinc/64/74/90/644647490.db2.gz SXKXYILCGDWEQX-UHFFFAOYSA-N -1 0 294.307 2.130 20 5 CEBDRM O=C(OCC(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000763018504 645490153 /nfs/dbraw/zinc/49/01/53/645490153.db2.gz ODBWYXQDHRZHCU-UHFFFAOYSA-N -1 0 287.486 2.450 20 5 CEBDRM C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000124702255 649727131 /nfs/dbraw/zinc/72/71/31/649727131.db2.gz QSOMCQFHCXDVQT-ZCFIWIBFSA-N -1 0 258.661 2.381 20 5 CEBDRM C[C@@H]1CC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C[C@H]1C ZINC001226332528 805581616 /nfs/dbraw/zinc/58/16/16/805581616.db2.gz VRQWHYFFKILIKE-IWSPIJDZSA-N -1 0 267.285 2.294 20 5 CEBDRM Cc1[nH]c(=O)cc(O[C@H](C)C2=CC=C[CH]2)c1[N+](=O)[O-] ZINC001228688320 806328771 /nfs/dbraw/zinc/32/87/71/806328771.db2.gz HREUNHQYPRNDJK-SECBINFHSA-N -1 0 261.257 2.472 20 5 CEBDRM CSCCCNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000164010344 802382617 /nfs/dbraw/zinc/38/26/17/802382617.db2.gz FXSNATFDJTVFNF-UHFFFAOYSA-N -1 0 270.310 2.458 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693377531 802870821 /nfs/dbraw/zinc/87/08/21/802870821.db2.gz FAMRGLONCYZJAQ-DTORHVGOSA-N -1 0 250.254 2.178 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000693503478 802990636 /nfs/dbraw/zinc/99/06/36/802990636.db2.gz PMNGQMOGYHGXNY-BXKDBHETSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1ccc(N(CC(=O)[O-])CC2CC2)c([N+](=O)[O-])c1 ZINC000036885683 814936403 /nfs/dbraw/zinc/93/64/03/814936403.db2.gz MSTBDCFRMGMZEL-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120804878 807323133 /nfs/dbraw/zinc/32/31/33/807323133.db2.gz ALSBQKPPRMXICH-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](CF)C2)c1 ZINC000711425004 810070021 /nfs/dbraw/zinc/07/00/21/810070021.db2.gz USZZHFFGWRAKCV-MRVPVSSYSA-N -1 0 268.244 2.089 20 5 CEBDRM CSCC[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118960478 810755620 /nfs/dbraw/zinc/75/56/20/810755620.db2.gz UTUVJRVJLBAZQC-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C(NCCC1CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316525 813328000 /nfs/dbraw/zinc/32/80/00/813328000.db2.gz GUYGBZRVTADJNQ-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM Cc1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)n1 ZINC001174503227 816030232 /nfs/dbraw/zinc/03/02/32/816030232.db2.gz ZPRJAHLNLGGQFO-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM Cc1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC001176673586 816454044 /nfs/dbraw/zinc/45/40/44/816454044.db2.gz WOXWVVOAMGECOX-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM CCn1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678232 816454201 /nfs/dbraw/zinc/45/42/01/816454201.db2.gz MRZZGASIPXGBAW-UHFFFAOYSA-N -1 0 276.252 2.253 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000036337541 361841150 /nfs/dbraw/zinc/84/11/50/361841150.db2.gz JWTVEOCDAUCWDL-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM O=c1cc(C2CC2)[n-]n1-c1ccc([N+](=O)[O-])cc1F ZINC000601943563 346935809 /nfs/dbraw/zinc/93/58/09/346935809.db2.gz RKILHOPHQSMELO-UHFFFAOYSA-N -1 0 263.228 2.237 20 5 CEBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(C(F)(F)F)o2)cc1 ZINC000351472117 219098474 /nfs/dbraw/zinc/09/84/74/219098474.db2.gz OGHDCLPLNVNTDZ-UHFFFAOYSA-N -1 0 288.185 2.031 20 5 CEBDRM CC1(CCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000567985218 299105078 /nfs/dbraw/zinc/10/50/78/299105078.db2.gz PKWRBJLWCCLVNC-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM O=[N+]([O-])c1ccccc1-c1ccc(CN=c2[n-]nco2)o1 ZINC000351570690 219130215 /nfs/dbraw/zinc/13/02/15/219130215.db2.gz OBBCJFLJKFKXNJ-UHFFFAOYSA-N -1 0 286.247 2.272 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000134243079 344372289 /nfs/dbraw/zinc/37/22/89/344372289.db2.gz QCJGQZNMMMTCGC-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM CCOc1cccc(NC[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000134884822 344378519 /nfs/dbraw/zinc/37/85/19/344378519.db2.gz URCVRKSCJSNXKQ-QMMMGPOBSA-N -1 0 268.269 2.126 20 5 CEBDRM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000164564005 344472330 /nfs/dbraw/zinc/47/23/30/344472330.db2.gz MLWQZZXUDXZFDC-UFBFGSQYSA-N -1 0 298.320 2.030 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCC1(C(=O)[O-])CCCC1 ZINC000165376100 344474473 /nfs/dbraw/zinc/47/44/73/344474473.db2.gz BBNGENWSDBFIEC-UHFFFAOYSA-N -1 0 296.327 2.177 20 5 CEBDRM CC(C)CCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166702327 344476815 /nfs/dbraw/zinc/47/68/15/344476815.db2.gz DMWXJOQONYUPRU-UHFFFAOYSA-N -1 0 267.285 2.170 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000323864132 344753448 /nfs/dbraw/zinc/75/34/48/344753448.db2.gz PSBYEAWCYUZGBG-JTQLQIEISA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000403661400 344876180 /nfs/dbraw/zinc/87/61/80/344876180.db2.gz SVQZWVNHWMKMLE-JFGNBEQYSA-N -1 0 290.319 2.466 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C(F)F)C1 ZINC000590169360 345119275 /nfs/dbraw/zinc/11/92/75/345119275.db2.gz XQGRWSLLNHLIRW-MRVPVSSYSA-N -1 0 272.251 2.387 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000592903824 345413679 /nfs/dbraw/zinc/41/36/79/345413679.db2.gz QDWWIQWZWJFXOF-FBIMIBRVSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1COCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592975984 345417870 /nfs/dbraw/zinc/41/78/70/345417870.db2.gz GCFNWYRQAFHGTI-KOLCDFICSA-N -1 0 294.307 2.378 20 5 CEBDRM O=C([O-])[C@H]1CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000592981055 345418558 /nfs/dbraw/zinc/41/85/58/345418558.db2.gz AKOWLEFYZOMJHW-NKWVEPMBSA-N -1 0 256.283 2.322 20 5 CEBDRM CC(C)n1cnc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000593229459 345455755 /nfs/dbraw/zinc/45/57/55/345455755.db2.gz HOJNFNFDAKZIII-UHFFFAOYSA-N -1 0 275.268 2.020 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000593327107 345466962 /nfs/dbraw/zinc/46/69/62/345466962.db2.gz KUGJVUQXOSCTDZ-NSHDSACASA-N -1 0 280.280 2.097 20 5 CEBDRM O=C([O-])c1cc(C(=O)NCCCC2CC2)cc([N+](=O)[O-])c1 ZINC000594596939 345655503 /nfs/dbraw/zinc/65/55/03/345655503.db2.gz IDGWXCNXQQMTOS-UHFFFAOYSA-N -1 0 292.291 2.213 20 5 CEBDRM CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)(C)C ZINC000158099101 232243283 /nfs/dbraw/zinc/24/32/83/232243283.db2.gz AQFYQHAALDTKKR-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NCC2(C(=O)[O-])CCC2)n1 ZINC000595971468 345919065 /nfs/dbraw/zinc/91/90/65/345919065.db2.gz OBHFEOXCYIRSQK-UHFFFAOYSA-N -1 0 279.296 2.273 20 5 CEBDRM CC(C)(F)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598199219 346303913 /nfs/dbraw/zinc/30/39/13/346303913.db2.gz ONVZFTSMYLLNBH-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598785614 346420033 /nfs/dbraw/zinc/42/00/33/346420033.db2.gz XMZOJXKDZINTJF-QMMMGPOBSA-N -1 0 286.234 2.076 20 5 CEBDRM CCO[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000599749864 346576815 /nfs/dbraw/zinc/57/68/15/346576815.db2.gz DHEGOBSQRJQNRW-GFCCVEGCSA-N -1 0 282.296 2.300 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000600174255 346614602 /nfs/dbraw/zinc/61/46/02/346614602.db2.gz JVDOKGHHPOIPGZ-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000600678555 346672012 /nfs/dbraw/zinc/67/20/12/346672012.db2.gz KPWLQXUZMDYFJP-GWCFXTLKSA-N -1 0 292.291 2.272 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336831307 365894923 /nfs/dbraw/zinc/89/49/23/365894923.db2.gz PPKKDDWBOUTLMK-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CCC[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611551561 347793734 /nfs/dbraw/zinc/79/37/34/347793734.db2.gz KRQIVMIHMQKZEE-QMMMGPOBSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000612556272 347900694 /nfs/dbraw/zinc/90/06/94/347900694.db2.gz ZIFAOCYUWNMFAG-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM Cc1cnc(NC[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000090691787 180024562 /nfs/dbraw/zinc/02/45/62/180024562.db2.gz HOJRBYOYCOOJBJ-SECBINFHSA-N -1 0 267.285 2.067 20 5 CEBDRM Cc1cc(S[C@@H](C)CC(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026661 180308412 /nfs/dbraw/zinc/30/84/12/180308412.db2.gz QCLPIJFKMVPCKT-ZETCQYMHSA-N -1 0 256.283 2.254 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000452206876 283220763 /nfs/dbraw/zinc/22/07/63/283220763.db2.gz MNRFCLZJMNVHKQ-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C(F)F ZINC000452663530 283348621 /nfs/dbraw/zinc/34/86/21/283348621.db2.gz CMANBCFEVRKVTQ-SSDOTTSWSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cc(NCC[C@@H](C)CCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578537231 366510322 /nfs/dbraw/zinc/51/03/22/366510322.db2.gz ZMTSUUKRQHRDTA-SECBINFHSA-N -1 0 296.323 2.422 20 5 CEBDRM CCC[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137093570 366535178 /nfs/dbraw/zinc/53/51/78/366535178.db2.gz LNRUMEGVCVUILR-SNVBAGLBSA-N -1 0 294.307 2.134 20 5 CEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080987625 363693080 /nfs/dbraw/zinc/69/30/80/363693080.db2.gz AAHJVZWVWMVFDY-LBPRGKRZSA-N -1 0 292.291 2.064 20 5 CEBDRM C[C@H](c1cnn(C)c1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339075538 366642665 /nfs/dbraw/zinc/64/26/65/366642665.db2.gz KBQVNTCRBWGEOU-SNVBAGLBSA-N -1 0 290.323 2.227 20 5 CEBDRM COCC1=CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339091576 366649582 /nfs/dbraw/zinc/64/95/82/366649582.db2.gz WCXXDBPDMRDFAV-UHFFFAOYSA-N -1 0 278.308 2.079 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000182557257 189327781 /nfs/dbraw/zinc/32/77/81/189327781.db2.gz SBYWEVGAEKEROC-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1cc(NCCC2(O)CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571803955 299329167 /nfs/dbraw/zinc/32/91/67/299329167.db2.gz ARDLOSXKUKEZKF-UHFFFAOYSA-N -1 0 294.307 2.318 20 5 CEBDRM O=C([N-]c1nnc(C2CC2)s1)c1ccc([N+](=O)[O-])o1 ZINC000020448978 361583106 /nfs/dbraw/zinc/58/31/06/361583106.db2.gz LIRRYGUILSVRRA-UHFFFAOYSA-N -1 0 280.265 2.169 20 5 CEBDRM O=C([O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000020353665 361583532 /nfs/dbraw/zinc/58/35/32/361583532.db2.gz PJIZQFHMPRJFGB-QMMMGPOBSA-N -1 0 268.244 2.035 20 5 CEBDRM CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000087489311 363857554 /nfs/dbraw/zinc/85/75/54/363857554.db2.gz CSIPVNKPXGTJDN-LLVKDONJSA-N -1 0 295.295 2.073 20 5 CEBDRM C[C@H]1CCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237583057 370734731 /nfs/dbraw/zinc/73/47/31/370734731.db2.gz YZOVOXALBJZWPN-UFBFGSQYSA-N -1 0 292.291 2.211 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](CC(C)C)C(=O)[O-] ZINC000094703567 364289106 /nfs/dbraw/zinc/28/91/06/364289106.db2.gz XHSRMDMPQOZPKR-JTQLQIEISA-N -1 0 298.343 2.278 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C ZINC000157966297 366850184 /nfs/dbraw/zinc/85/01/84/366850184.db2.gz RKWLKJQMLQHQMD-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM CCOc1cc(N2CCC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111238520 364726220 /nfs/dbraw/zinc/72/62/20/364726220.db2.gz OKLHMPSZTQMJAJ-JTQLQIEISA-N -1 0 294.307 2.295 20 5 CEBDRM CN(CCC1CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119312981 365252890 /nfs/dbraw/zinc/25/28/90/365252890.db2.gz ULGHSJPRPFGBCH-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCS1 ZINC000119192785 365233876 /nfs/dbraw/zinc/23/38/76/365233876.db2.gz CZFJSDZMMSCJSC-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM COc1cccc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000582181071 366875007 /nfs/dbraw/zinc/87/50/07/366875007.db2.gz FAPWSKIGRNDWFD-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM CC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000582847128 366967000 /nfs/dbraw/zinc/96/70/00/366967000.db2.gz AWXXRHSJIALAIE-GXSJLCMTSA-N -1 0 294.307 2.297 20 5 CEBDRM Cc1cc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc([N+](=O)[O-])c1 ZINC000341193222 367214438 /nfs/dbraw/zinc/21/44/38/367214438.db2.gz NBSLSFBIPGFORX-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM CN(CC1CCCC1)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166766496 367328890 /nfs/dbraw/zinc/32/88/90/367328890.db2.gz PFAHFMXRVUUNBD-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(C2CCC2)C1 ZINC000341337537 367290363 /nfs/dbraw/zinc/29/03/63/367290363.db2.gz LPRHQENVELCGMM-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1nn(C)c(NCC2(C(=O)[O-])CCCCC2)c1[N+](=O)[O-] ZINC000165666688 367311963 /nfs/dbraw/zinc/31/19/63/367311963.db2.gz MQXYJQVEZRGXAR-UHFFFAOYSA-N -1 0 296.327 2.084 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000343792243 368005667 /nfs/dbraw/zinc/00/56/67/368005667.db2.gz GARGFDZWRSRZSD-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3C[C@H]3C(F)F)[n-]2)cc1 ZINC000343809289 368016375 /nfs/dbraw/zinc/01/63/75/368016375.db2.gz NPKNEKGENBVABY-RKDXNWHRSA-N -1 0 296.233 2.132 20 5 CEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000179489556 368342140 /nfs/dbraw/zinc/34/21/40/368342140.db2.gz APJRBJQPDAXEAC-UHFFFAOYSA-N -1 0 279.277 2.034 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000182134754 368527285 /nfs/dbraw/zinc/52/72/85/368527285.db2.gz GOGBZUHYMNVFSM-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182158730 368530399 /nfs/dbraw/zinc/53/03/99/368530399.db2.gz ASNSDOHGKWUVKF-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000182084019 368522148 /nfs/dbraw/zinc/52/21/48/368522148.db2.gz ZNUCWMWOHCSGLX-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C(CCc1ccccn1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183897156 368656469 /nfs/dbraw/zinc/65/64/69/368656469.db2.gz XRYOBZHLJDIOCZ-UHFFFAOYSA-N -1 0 287.275 2.267 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F ZINC000348095069 368894096 /nfs/dbraw/zinc/89/40/96/368894096.db2.gz PJDRLNYVESUXJK-SECBINFHSA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000231694120 370491244 /nfs/dbraw/zinc/49/12/44/370491244.db2.gz IRIWLDYBUCNCEI-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000331947523 204324308 /nfs/dbraw/zinc/32/43/08/204324308.db2.gz JNXZFDFGWIKCSZ-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000361653854 372005700 /nfs/dbraw/zinc/00/57/00/372005700.db2.gz JIPHSUQLDXBRAI-YFKPBYRVSA-N -1 0 278.186 2.437 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000271944449 373229182 /nfs/dbraw/zinc/22/91/82/373229182.db2.gz PPPSVXINJUYTSL-IUCAKERBSA-N -1 0 280.280 2.054 20 5 CEBDRM CCCCN(CCOC)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272424817 373478390 /nfs/dbraw/zinc/47/83/90/373478390.db2.gz QZGLSKLJPFINPB-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272598545 373572978 /nfs/dbraw/zinc/57/29/78/373572978.db2.gz XEZIKBUIYMKJAN-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000274856161 374071089 /nfs/dbraw/zinc/07/10/89/374071089.db2.gz BUCUKFFFQWQQKH-RKDXNWHRSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000380364806 375162817 /nfs/dbraw/zinc/16/28/17/375162817.db2.gz HNGJLNOUICFBBX-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1 ZINC000398140748 375347146 /nfs/dbraw/zinc/34/71/46/375347146.db2.gz JFSCMIAJCQAEBH-WPRPVWTQSA-N -1 0 280.280 2.272 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000261711176 190042622 /nfs/dbraw/zinc/04/26/22/190042622.db2.gz PESALVGFDYEPSI-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000416325499 376041443 /nfs/dbraw/zinc/04/14/43/376041443.db2.gz YOXUPGLAYURNNO-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM NC(=O)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330447213 377136896 /nfs/dbraw/zinc/13/68/96/377136896.db2.gz YGHYRGDMYVEROF-UHFFFAOYSA-N -1 0 279.296 2.048 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000563303375 377164803 /nfs/dbraw/zinc/16/48/03/377164803.db2.gz OGHSLHSZAFRRFT-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000564729879 377442029 /nfs/dbraw/zinc/44/20/29/377442029.db2.gz VHQJLHKTZVZDJQ-WCBMZHEXSA-N -1 0 282.271 2.281 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCSCC1 ZINC000332205399 377541919 /nfs/dbraw/zinc/54/19/19/377541919.db2.gz DQTSGMPPCATWNO-UHFFFAOYSA-N -1 0 268.338 2.239 20 5 CEBDRM CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000293455995 377574593 /nfs/dbraw/zinc/57/45/93/377574593.db2.gz KWURMCZCVUUZQY-ZWNOBZJWSA-N -1 0 294.307 2.444 20 5 CEBDRM Cc1ccncc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432489946 377768417 /nfs/dbraw/zinc/76/84/17/377768417.db2.gz NNDIGHSTEWYMAU-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(F)(F)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000294088708 377899660 /nfs/dbraw/zinc/89/96/60/377899660.db2.gz AVFYOCNBEUFNFM-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000443373710 378049364 /nfs/dbraw/zinc/04/93/64/378049364.db2.gz OJJMQIQMCDVUFB-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000457339997 379754119 /nfs/dbraw/zinc/75/41/19/379754119.db2.gz IHPCKLDXSFMLJW-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ccncc3)no2)c1 ZINC000362715316 285096677 /nfs/dbraw/zinc/09/66/77/285096677.db2.gz IJRKMLKHCZGHEZ-UHFFFAOYSA-N -1 0 284.231 2.412 20 5 CEBDRM C[C@H]1CCSCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000190136211 300026525 /nfs/dbraw/zinc/02/65/25/300026525.db2.gz XOZQUYVTQPIFIB-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1cnc(N2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000090691665 135064251 /nfs/dbraw/zinc/06/42/51/135064251.db2.gz NKLKHWPUYKJCLC-SNVBAGLBSA-N -1 0 279.296 2.132 20 5 CEBDRM CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000263539695 394629727 /nfs/dbraw/zinc/62/97/27/394629727.db2.gz QFKVRPMTFOZXQG-UHFFFAOYSA-N -1 0 292.291 2.065 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000121329780 394796064 /nfs/dbraw/zinc/79/60/64/394796064.db2.gz LMVXCZAGSJLXFP-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC1=C(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000280242177 394846857 /nfs/dbraw/zinc/84/68/57/394846857.db2.gz NMRRJBSGRIYYJP-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2ccccc2C1 ZINC000130264661 394884465 /nfs/dbraw/zinc/88/44/65/394884465.db2.gz XRAABORPKCIFBV-UHFFFAOYSA-N -1 0 298.298 2.499 20 5 CEBDRM CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC(C)C ZINC000416262391 395041510 /nfs/dbraw/zinc/04/15/10/395041510.db2.gz OSDQGNMEVJQBLA-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436564570 395127888 /nfs/dbraw/zinc/12/78/88/395127888.db2.gz PZRGDAYIXKTSBF-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM CSCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436783709 395153124 /nfs/dbraw/zinc/15/31/24/395153124.db2.gz SZTQVZRCODQFPY-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1noc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436779009 395153518 /nfs/dbraw/zinc/15/35/18/395153518.db2.gz UHAQNZNJAVKYHX-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM O=C(Nc1cccc2c[nH]nc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436955190 395167510 /nfs/dbraw/zinc/16/75/10/395167510.db2.gz ZYEPXIMNNNKPNS-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436971804 395168561 /nfs/dbraw/zinc/16/85/61/395168561.db2.gz LBCBZJJZOYILCL-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCC(=O)C1 ZINC000566277313 395509350 /nfs/dbraw/zinc/50/93/50/395509350.db2.gz DMLXEHNLYADTPI-LURJTMIESA-N -1 0 298.682 2.262 20 5 CEBDRM O=C([O-])c1cc(N[C@H](CO)CC2CCC2)ccc1[N+](=O)[O-] ZINC000566297055 395510848 /nfs/dbraw/zinc/51/08/48/395510848.db2.gz LHIUNGQJVXPZOS-NSHDSACASA-N -1 0 294.307 2.256 20 5 CEBDRM CO[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000572964331 395596319 /nfs/dbraw/zinc/59/63/19/395596319.db2.gz GYGIUZSMXBTYHI-TVQRCGJNSA-N -1 0 294.307 2.154 20 5 CEBDRM Cc1cc(NC[C@@H](O)C2CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574919960 395641343 /nfs/dbraw/zinc/64/13/43/395641343.db2.gz SDGVTNYRTUOYAS-GFCCVEGCSA-N -1 0 294.307 2.174 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315781 153295693 /nfs/dbraw/zinc/29/56/93/153295693.db2.gz MHZSOFXPMOVABG-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000263390095 154071223 /nfs/dbraw/zinc/07/12/23/154071223.db2.gz GAOFVTHCFJBKSC-UHFFFAOYSA-N -1 0 294.307 2.489 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(NCCCC(=O)[O-])c1 ZINC000263410563 154079616 /nfs/dbraw/zinc/07/96/16/154079616.db2.gz MEIVDOSJEUOLDO-UHFFFAOYSA-N -1 0 272.232 2.019 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263491443 154107441 /nfs/dbraw/zinc/10/74/41/154107441.db2.gz OYEOOKAVGODMSI-SECBINFHSA-N -1 0 295.295 2.088 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000331966621 154215328 /nfs/dbraw/zinc/21/53/28/154215328.db2.gz MNFYNBMSMIFWSK-GFCCVEGCSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([O-])c1cc(NCc2cccnc2)ccc1[N+](=O)[O-] ZINC000021501997 171305979 /nfs/dbraw/zinc/30/59/79/171305979.db2.gz ZUWFRUWCJVZKGA-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000037378460 173166102 /nfs/dbraw/zinc/16/61/02/173166102.db2.gz QBWVPFDGNGYVNK-SSDOTTSWSA-N -1 0 261.237 2.028 20 5 CEBDRM O=C([O-])[C@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077253469 177242565 /nfs/dbraw/zinc/24/25/65/177242565.db2.gz BDKXODZQKSRJOT-SNVBAGLBSA-N -1 0 284.699 2.297 20 5 CEBDRM Cc1cc(=O)[nH]c(C=Cc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436785567 262967436 /nfs/dbraw/zinc/96/74/36/262967436.db2.gz VODDMENMDGIOKX-HYXAFXHYSA-N -1 0 273.248 2.275 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000436957989 271697137 /nfs/dbraw/zinc/69/71/37/271697137.db2.gz ZCULLTBZQYCZQD-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM CC1=CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000217316700 281682551 /nfs/dbraw/zinc/68/25/51/281682551.db2.gz MKOIMBMRRICVJK-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000457355199 289764755 /nfs/dbraw/zinc/76/47/55/289764755.db2.gz PYYTULYKCRQRAC-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1=O ZINC000361660542 297212777 /nfs/dbraw/zinc/21/27/77/297212777.db2.gz KZPMHZKAJDPXKN-BDAKNGLRSA-N -1 0 292.291 2.244 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(C1)CCCC2 ZINC000368417804 304524218 /nfs/dbraw/zinc/52/42/18/304524218.db2.gz BEAPWALPDXCHSO-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@@H]1SCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H]1C ZINC000280761517 297666072 /nfs/dbraw/zinc/66/60/72/297666072.db2.gz BAZASWFUNOAPAL-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM CC1(C)CC(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000560664518 298659564 /nfs/dbraw/zinc/65/95/64/298659564.db2.gz JBHHENHKPJEAER-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM COC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000563711910 298796245 /nfs/dbraw/zinc/79/62/45/298796245.db2.gz ANQXCKJRBKOEHL-UHFFFAOYSA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H]1C ZINC000157966148 300655381 /nfs/dbraw/zinc/65/53/81/300655381.db2.gz RKWLKJQMLQHQMD-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000517576094 313111568 /nfs/dbraw/zinc/11/15/68/313111568.db2.gz PTJPKNDUMCWKIS-SCZZXKLOSA-N -1 0 284.337 2.341 20 5 CEBDRM CC(C)c1n[n-]c(=NCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000560201632 313697415 /nfs/dbraw/zinc/69/74/15/313697415.db2.gz KUWIBROZXHJSIO-UHFFFAOYSA-N -1 0 292.295 2.014 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000565036006 313791979 /nfs/dbraw/zinc/79/19/79/313791979.db2.gz OORFQASHQOUJLD-JOYOIKCWSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1cc(NCCC[C@H](C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578445449 314480749 /nfs/dbraw/zinc/48/07/49/314480749.db2.gz CYVAXJUYIOGDLZ-VIFPVBQESA-N -1 0 296.323 2.422 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ncccc1[O-] ZINC000192928941 321798560 /nfs/dbraw/zinc/79/85/60/321798560.db2.gz BRSNYLGIRLMLIU-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000380715153 321830970 /nfs/dbraw/zinc/83/09/70/321830970.db2.gz XXFVFRBQCCADES-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM CC1(C)CC[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389024689 321888918 /nfs/dbraw/zinc/88/89/18/321888918.db2.gz HHVASCMAVVRLCG-VIFPVBQESA-N -1 0 265.269 2.289 20 5 CEBDRM CC(C)CSCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000397170534 329345960 /nfs/dbraw/zinc/34/59/60/329345960.db2.gz DSKIDFWVPVYGKV-UHFFFAOYSA-N -1 0 299.352 2.489 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000740521412 574468470 /nfs/dbraw/zinc/46/84/70/574468470.db2.gz QWYJWQJGRMCDBJ-NSHDSACASA-N -1 0 265.269 2.149 20 5 CEBDRM Cc1ncsc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000732500787 574622475 /nfs/dbraw/zinc/62/24/75/574622475.db2.gz OCFFAAMWHZTBPB-UHFFFAOYSA-N -1 0 267.266 2.045 20 5 CEBDRM CC1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])COC1 ZINC000736737900 574795471 /nfs/dbraw/zinc/79/54/71/574795471.db2.gz DLGVJAHXCFRHBW-HWKANZROSA-N -1 0 292.291 2.141 20 5 CEBDRM CC[C@H](CCO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736905533 574799517 /nfs/dbraw/zinc/79/95/17/574799517.db2.gz UBXVXROIQFOIMH-VLWUPBBWSA-N -1 0 294.307 2.266 20 5 CEBDRM CCC[C@H](O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736971442 574800775 /nfs/dbraw/zinc/80/07/75/574800775.db2.gz BVIXXIRSRPARBX-XOIDGJRKSA-N -1 0 294.307 2.266 20 5 CEBDRM CCCCOC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736998663 574801640 /nfs/dbraw/zinc/80/16/40/574801640.db2.gz OJDLVOYDUQZZQY-UHFFFAOYSA-N -1 0 297.263 2.015 20 5 CEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)NC(=O)[O-] ZINC000738789731 574878464 /nfs/dbraw/zinc/87/84/64/574878464.db2.gz OBPIFKGWZFUITD-SSDOTTSWSA-N -1 0 273.314 2.360 20 5 CEBDRM C[C@H](NC(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000739017061 574889460 /nfs/dbraw/zinc/88/94/60/574889460.db2.gz MXNTUXNKDFCMMM-JTQLQIEISA-N -1 0 293.323 2.467 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1NC(=O)[O-] ZINC000739190365 574898878 /nfs/dbraw/zinc/89/88/78/574898878.db2.gz GMUFHMLEHWHFQX-YUMQZZPRSA-N -1 0 285.325 2.139 20 5 CEBDRM CN(CC1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739663401 574930147 /nfs/dbraw/zinc/93/01/47/574930147.db2.gz JZPGDWYXILJOCF-UHFFFAOYSA-N -1 0 293.323 2.421 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCN(C(=O)[O-])C1 ZINC000740100931 574941979 /nfs/dbraw/zinc/94/19/79/574941979.db2.gz ZFFJLFGBNJGZTH-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC1CCC(NC(=O)[O-])CC1 ZINC000740098901 574942051 /nfs/dbraw/zinc/94/20/51/574942051.db2.gz LQAOHWQNDIWDIF-UHFFFAOYSA-N -1 0 294.311 2.289 20 5 CEBDRM O=C([O-])N1CC[C@H](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000740499049 574956614 /nfs/dbraw/zinc/95/66/14/574956614.db2.gz WRFUCSNYOTZBDZ-JTQLQIEISA-N -1 0 279.296 2.397 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000740519725 574957586 /nfs/dbraw/zinc/95/75/86/574957586.db2.gz IYHHAOAEZWMWCJ-QMMMGPOBSA-N -1 0 283.259 2.288 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000827325295 602186656 /nfs/dbraw/zinc/18/66/56/602186656.db2.gz RUAAILWKYTZYOI-BDAKNGLRSA-N -1 0 281.264 2.310 20 5 CEBDRM O=C([O-])CCCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000821521500 598164647 /nfs/dbraw/zinc/16/46/47/598164647.db2.gz HCVDLPDYKHFGBL-UHFFFAOYSA-N -1 0 297.336 2.136 20 5 CEBDRM O=C([O-])c1cccc(Oc2ccncc2[N+](=O)[O-])c1 ZINC000048802225 600125287 /nfs/dbraw/zinc/12/52/87/600125287.db2.gz UPMREMFDMKLELB-UHFFFAOYSA-N -1 0 260.205 2.480 20 5 CEBDRM CC(C)OCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019396126 600441111 /nfs/dbraw/zinc/44/11/11/600441111.db2.gz ZPDKZUSNSVNLDU-UHFFFAOYSA-N -1 0 269.253 2.097 20 5 CEBDRM C[C@@H]1CCCN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000828271347 601378364 /nfs/dbraw/zinc/37/83/64/601378364.db2.gz DALDUMATKGAJAV-SSDOTTSWSA-N -1 0 295.251 2.190 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832921507 601507492 /nfs/dbraw/zinc/50/74/92/601507492.db2.gz RQUZBSJQZJDYOO-INTQDDNPSA-N -1 0 293.275 2.228 20 5 CEBDRM O=C([O-])c1cc(NC(=O)[C@H]2CC23CCC3)cc([N+](=O)[O-])c1 ZINC000833299357 601960412 /nfs/dbraw/zinc/96/04/12/601960412.db2.gz DEJRSZHBARUXFJ-LLVKDONJSA-N -1 0 290.275 2.422 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])n(C)c2)ncc1[N+](=O)[O-] ZINC000832899720 602133085 /nfs/dbraw/zinc/13/30/85/602133085.db2.gz RHNNOJDUMULNNN-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM Cc1cc(N2CCN(C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000830085286 603193341 /nfs/dbraw/zinc/19/33/41/603193341.db2.gz QGNVZPKJEFMNOY-SNVBAGLBSA-N -1 0 279.296 2.092 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CNC(=O)[O-])C2)c1 ZINC000830426906 603549859 /nfs/dbraw/zinc/54/98/59/603549859.db2.gz CLSANOGIGIQWDM-LLVKDONJSA-N -1 0 293.323 2.387 20 5 CEBDRM CN(c1ccncc1[N+](=O)[O-])C1CCC(NC(=O)[O-])CC1 ZINC000828441733 604221584 /nfs/dbraw/zinc/22/15/84/604221584.db2.gz SYANLFBDSBOXAA-UHFFFAOYSA-N -1 0 294.311 2.005 20 5 CEBDRM CCCCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000138530872 604752999 /nfs/dbraw/zinc/75/29/99/604752999.db2.gz WCZFQKANXSUSLM-UHFFFAOYSA-N -1 0 267.237 2.250 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCNC(=O)[O-])c1 ZINC000833907640 605401567 /nfs/dbraw/zinc/40/15/67/605401567.db2.gz OYFLVFHWJQMYKE-SECBINFHSA-N -1 0 267.285 2.361 20 5 CEBDRM O=C([O-])NC[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000834214416 605948509 /nfs/dbraw/zinc/94/85/09/605948509.db2.gz HGOHZVPIIIHBNK-MRVPVSSYSA-N -1 0 285.325 2.140 20 5 CEBDRM O=C([O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000834118917 606025243 /nfs/dbraw/zinc/02/52/43/606025243.db2.gz MKOAELJCICUXIW-VIFPVBQESA-N -1 0 254.267 2.320 20 5 CEBDRM Cc1cc(F)cc(C(=O)[N-]c2nncs2)c1[N+](=O)[O-] ZINC000176719742 624598984 /nfs/dbraw/zinc/59/89/84/624598984.db2.gz QJVWECNCYDISSY-UHFFFAOYSA-N -1 0 282.256 2.146 20 5 CEBDRM Cc1cc(N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])s1 ZINC000900961515 633907779 /nfs/dbraw/zinc/90/77/79/633907779.db2.gz JHGJTRAQGOGMNT-LURJTMIESA-N -1 0 258.299 2.122 20 5 CEBDRM O=C([O-])CC1CC(Nc2ccc([N+](=O)[O-])s2)C1 ZINC000906151533 636626842 /nfs/dbraw/zinc/62/68/42/636626842.db2.gz IXBNLTSDYMJDSC-UHFFFAOYSA-N -1 0 256.283 2.322 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000834659987 637909833 /nfs/dbraw/zinc/90/98/33/637909833.db2.gz HRXWJUPZXIPRBO-DTWKUNHWSA-N -1 0 296.348 2.314 20 5 CEBDRM CCO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000910335039 638003611 /nfs/dbraw/zinc/00/36/11/638003611.db2.gz PJPLWUFNGKEKED-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H]2C2CC2)n1 ZINC000910356522 638013386 /nfs/dbraw/zinc/01/33/86/638013386.db2.gz CHRNAZYDCCYRTR-LLVKDONJSA-N -1 0 291.307 2.375 20 5 CEBDRM CC(C)n1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000835897514 638446703 /nfs/dbraw/zinc/44/67/03/638446703.db2.gz MLCOQKYPHMLISG-UHFFFAOYSA-N -1 0 278.268 2.057 20 5 CEBDRM CS[C@H](C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837599263 639303272 /nfs/dbraw/zinc/30/32/72/639303272.db2.gz AVPWSQRQRZPWSN-MRVPVSSYSA-N -1 0 285.321 2.485 20 5 CEBDRM COCCC[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837619907 639311860 /nfs/dbraw/zinc/31/18/60/639311860.db2.gz FWDUOAKZILMGSV-SNVBAGLBSA-N -1 0 297.307 2.406 20 5 CEBDRM O=C(NN1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843842497 640540418 /nfs/dbraw/zinc/54/04/18/640540418.db2.gz JIYRSEUUEQVONC-UHFFFAOYSA-N -1 0 299.714 2.085 20 5 CEBDRM C[C@H](O)C[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211114 640632940 /nfs/dbraw/zinc/63/29/40/640632940.db2.gz UPPHZUXDTWNIMT-ROSDIQCESA-N -1 0 294.307 2.264 20 5 CEBDRM CS[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844212463 640634006 /nfs/dbraw/zinc/63/40/06/640634006.db2.gz XZEARDGVZBGCPV-SNVBAGLBSA-N -1 0 296.348 2.164 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070495641 641672533 /nfs/dbraw/zinc/67/25/33/641672533.db2.gz SCHRAQSLHYXEIA-CQSZACIVSA-N -1 0 293.323 2.379 20 5 CEBDRM C[C@@H]1CSCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000889922930 641724647 /nfs/dbraw/zinc/72/46/47/641724647.db2.gz TVQXLYOOQBUJKJ-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000923056743 643541151 /nfs/dbraw/zinc/54/11/51/643541151.db2.gz CEAJVOOBKAXVFI-ZANVPECISA-N -1 0 295.291 2.159 20 5 CEBDRM CO[C@H]1C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000863482481 646739112 /nfs/dbraw/zinc/73/91/12/646739112.db2.gz IPHHQFNEKDMICV-NVQIXMIUSA-N -1 0 292.291 2.282 20 5 CEBDRM O=C(COc1cccc([N+](=O)[O-])c1)[N-]Oc1ccccc1 ZINC000773470579 646743553 /nfs/dbraw/zinc/74/35/53/646743553.db2.gz PHSKTZZAFQVMSN-UHFFFAOYSA-N -1 0 288.259 2.084 20 5 CEBDRM O=C(NC12CCC(CC1)C2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773917479 646787118 /nfs/dbraw/zinc/78/71/18/646787118.db2.gz CWPZNFZQRIEGFZ-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CO[C@H]1CC[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000864513894 647032710 /nfs/dbraw/zinc/03/27/10/647032710.db2.gz INIWVXBOTMMMIZ-ONGXEEELSA-N -1 0 294.307 2.297 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780653269 647455627 /nfs/dbraw/zinc/45/56/27/647455627.db2.gz YRTSFBLFRMBKOZ-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM CC[C@H]1CCCC[C@H]1Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331519 805581178 /nfs/dbraw/zinc/58/11/78/805581178.db2.gz LLVXEWHWENZFRB-WCBMZHEXSA-N -1 0 267.285 2.438 20 5 CEBDRM C[C@@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000687073303 804322900 /nfs/dbraw/zinc/32/29/00/804322900.db2.gz NEHROIIYQCAOFM-LBPRGKRZSA-N -1 0 298.320 2.030 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@@H]1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001119046682 815066506 /nfs/dbraw/zinc/06/65/06/815066506.db2.gz AOMACQRBIBEXPN-VHSXEESVSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1cc(O)c(O[C@@H]2CCOC[C@H]2F)cc1[N+](=O)[O-] ZINC001229755133 809069744 /nfs/dbraw/zinc/06/97/44/809069744.db2.gz VXAQBOLPMQFFFM-LDYMZIIASA-N -1 0 271.244 2.115 20 5 CEBDRM Nc1cn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ncccc12 ZINC001174502892 816028825 /nfs/dbraw/zinc/02/88/25/816028825.db2.gz MCGCLHYEQDNMFA-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC001174502720 816029228 /nfs/dbraw/zinc/02/92/28/816029228.db2.gz ZARJECHYDDANOF-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnc3nccn3c2)cc1[N+](=O)[O-] ZINC001174504583 816030388 /nfs/dbraw/zinc/03/03/88/816030388.db2.gz VSGVIDJEEOTVCB-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM O=C([O-])c1cc(Nc2c(F)cncc2F)cc([N+](=O)[O-])c1 ZINC001176672657 816453076 /nfs/dbraw/zinc/45/30/76/816453076.db2.gz PUIVEWYUAGMZCA-UHFFFAOYSA-N -1 0 295.201 2.132 20 5 CEBDRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141909573 816596823 /nfs/dbraw/zinc/59/68/23/816596823.db2.gz KIHJTQMXBJBYRA-GXTWGEPZSA-N -1 0 278.308 2.465 20 5 CEBDRM CSC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000601693872 346881125 /nfs/dbraw/zinc/88/11/25/346881125.db2.gz QSUXCTMCCLCPNZ-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(N[C@H]1CCCC12CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000601704520 346882466 /nfs/dbraw/zinc/88/24/66/346882466.db2.gz KNHCECGCAZBGRP-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000041031395 362014737 /nfs/dbraw/zinc/01/47/37/362014737.db2.gz MBWWQFDFNOAVQL-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM C[C@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cn3)c(=O)c2C1 ZINC000601931459 346929293 /nfs/dbraw/zinc/92/92/93/346929293.db2.gz FKAXGAFVSMEICN-WPRPVWTQSA-N -1 0 274.280 2.129 20 5 CEBDRM CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2OC)[n-]1 ZINC000601936484 346932060 /nfs/dbraw/zinc/93/20/60/346932060.db2.gz RLEXIKLJJUMZMI-UHFFFAOYSA-N -1 0 277.280 2.496 20 5 CEBDRM CN(CC1CC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000037999139 343432811 /nfs/dbraw/zinc/43/28/11/343432811.db2.gz QURXVPKRZZBCSL-UHFFFAOYSA-N -1 0 250.254 2.139 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000044619081 343475473 /nfs/dbraw/zinc/47/54/73/343475473.db2.gz QXPWIXAZICHFCH-NSHDSACASA-N -1 0 289.291 2.442 20 5 CEBDRM O=C(NCCc1ccsc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000127899379 365766388 /nfs/dbraw/zinc/76/63/88/365766388.db2.gz BCEJLTKJEGZMBX-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@H](C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567979412 299103820 /nfs/dbraw/zinc/10/38/20/299103820.db2.gz LBDQTUXQZHVMAH-BDAKNGLRSA-N -1 0 282.296 2.030 20 5 CEBDRM COc1cc(SCCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000126430427 344323742 /nfs/dbraw/zinc/32/37/42/344323742.db2.gz SFTRLXHXQSDJRX-UHFFFAOYSA-N -1 0 287.293 2.179 20 5 CEBDRM CC(C)[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166840507 344477427 /nfs/dbraw/zinc/47/74/27/344477427.db2.gz KXSSEBCWZUHQKJ-VIFPVBQESA-N -1 0 279.296 2.170 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCSC2)c1 ZINC000231355851 344574714 /nfs/dbraw/zinc/57/47/14/344574714.db2.gz JQSPPZXFPXIMPQ-QMMMGPOBSA-N -1 0 268.294 2.210 20 5 CEBDRM CCOc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000252606283 344640770 /nfs/dbraw/zinc/64/07/70/344640770.db2.gz QMBIJLGERVKYFT-MWLCHTKSSA-N -1 0 294.307 2.293 20 5 CEBDRM Cc1cccc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c1[N+](=O)[O-] ZINC000300482355 344700004 /nfs/dbraw/zinc/70/00/04/344700004.db2.gz CYIVOECTSGZREI-NXEZZACHSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C(NC/C=C/c1cccnc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000590397102 345132917 /nfs/dbraw/zinc/13/29/17/345132917.db2.gz MWSBVFKDKLNUMM-DUXPYHPUSA-N -1 0 299.286 2.139 20 5 CEBDRM CCC[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592966685 345417364 /nfs/dbraw/zinc/41/73/64/345417364.db2.gz UEKOEQVQHBPQRF-SSDOTTSWSA-N -1 0 267.285 2.019 20 5 CEBDRM CC(C)OCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592973984 345417777 /nfs/dbraw/zinc/41/77/77/345417777.db2.gz RAUFXRMHSFAGPM-UHFFFAOYSA-N -1 0 282.296 2.059 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C[C@H]2C(F)F)n1 ZINC000592979560 345418591 /nfs/dbraw/zinc/41/85/91/345418591.db2.gz QIGAOCRUUBHWBP-IYSWYEEDSA-N -1 0 287.222 2.062 20 5 CEBDRM CC(=O)NCCCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593188990 345450862 /nfs/dbraw/zinc/45/08/62/345450862.db2.gz UDXPLTQZQNXYRJ-UHFFFAOYSA-N -1 0 284.337 2.060 20 5 CEBDRM O=C([O-])c1cnc(N2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000594734750 345681003 /nfs/dbraw/zinc/68/10/03/345681003.db2.gz DMCRAFTYLSVQAV-VIFPVBQESA-N -1 0 297.286 2.264 20 5 CEBDRM CN(CC1=CCCOC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594736850 345681852 /nfs/dbraw/zinc/68/18/52/345681852.db2.gz WYKUWZMXCPILKB-UHFFFAOYSA-N -1 0 292.291 2.076 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595247749 345747807 /nfs/dbraw/zinc/74/78/07/345747807.db2.gz OZZIIARFUZRHBQ-CQSZACIVSA-N -1 0 292.291 2.211 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CCC(C)(C(=O)[O-])CC1 ZINC000595967661 345919070 /nfs/dbraw/zinc/91/90/70/345919070.db2.gz AKCIBTSCGXWKAP-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000597159521 346138887 /nfs/dbraw/zinc/13/88/87/346138887.db2.gz MWZGKUDNBGQPPE-RKDXNWHRSA-N -1 0 292.291 2.164 20 5 CEBDRM CCOC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000597492210 346193132 /nfs/dbraw/zinc/19/31/32/346193132.db2.gz WPPHTXOBSZBPAP-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM CC[C@H](C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597977160 346262331 /nfs/dbraw/zinc/26/23/31/346262331.db2.gz HDMGSPPIZCKIPF-VIFPVBQESA-N -1 0 266.297 2.466 20 5 CEBDRM CCC(CC)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OC ZINC000314222735 201925029 /nfs/dbraw/zinc/92/50/29/201925029.db2.gz WDSZBJKCJFJPOI-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@@H]2CC2(F)F)n1 ZINC000598736439 346411995 /nfs/dbraw/zinc/41/19/95/346411995.db2.gz WOAYMENQPSJADV-ZCFIWIBFSA-N -1 0 287.222 2.145 20 5 CEBDRM CCC[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OCC ZINC000600678097 346672210 /nfs/dbraw/zinc/67/22/10/346672210.db2.gz LHRMIPDHRDWGFS-VIFPVBQESA-N -1 0 297.311 2.305 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCC3(CC3)CC2)n1 ZINC000600679461 346672443 /nfs/dbraw/zinc/67/24/43/346672443.db2.gz WUVBRHLERSBJBL-UHFFFAOYSA-N -1 0 291.307 2.459 20 5 CEBDRM C[C@H]1CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000603267846 347325673 /nfs/dbraw/zinc/32/56/73/347325673.db2.gz WDGDVHCSAFOOJK-LURJTMIESA-N -1 0 270.672 2.188 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613994232 348131870 /nfs/dbraw/zinc/13/18/70/348131870.db2.gz HCKBKTGZIIDYBN-SSDOTTSWSA-N -1 0 286.234 2.218 20 5 CEBDRM CCOCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000087325385 179413454 /nfs/dbraw/zinc/41/34/54/179413454.db2.gz YEUGAUWZJMHOGM-UHFFFAOYSA-N -1 0 269.253 2.098 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(=O)[O-])C(C)C ZINC000087507143 179436833 /nfs/dbraw/zinc/43/68/33/179436833.db2.gz LADZOWKHKIKTRI-JTQLQIEISA-N -1 0 267.285 2.067 20 5 CEBDRM Cc1ccncc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356320622 370659232 /nfs/dbraw/zinc/65/92/32/370659232.db2.gz LIICVZFJSMMICS-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cc(N[C@@H](CC(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026400 180308332 /nfs/dbraw/zinc/30/83/32/180308332.db2.gz PHQZZROCGBVXJT-VIFPVBQESA-N -1 0 267.285 2.209 20 5 CEBDRM Cc1nc(NC(C)(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000123400918 187089702 /nfs/dbraw/zinc/08/97/02/187089702.db2.gz CKWAVNOHVQBWRE-UHFFFAOYSA-N -1 0 267.285 2.354 20 5 CEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000565028265 313789952 /nfs/dbraw/zinc/78/99/52/313789952.db2.gz GMCRZFQAXNLWMJ-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM C[C@@H](CN(C)c1c2ccccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC000130324613 295888710 /nfs/dbraw/zinc/88/87/10/295888710.db2.gz XFLDSIQHWIVUFC-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000452209563 283221556 /nfs/dbraw/zinc/22/15/56/283221556.db2.gz SJRDDCNERFMEOK-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(F)F ZINC000452459891 283293796 /nfs/dbraw/zinc/29/37/96/283293796.db2.gz PYJHKJSOVSPBTR-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)(F)F ZINC000452461428 283294209 /nfs/dbraw/zinc/29/42/09/283294209.db2.gz UPJZXCDRYKCTSX-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038026166 304074804 /nfs/dbraw/zinc/07/48/04/304074804.db2.gz COULBSYYDXGOHJ-LBPRGKRZSA-N -1 0 292.291 2.064 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(CF)CC1 ZINC000296969396 200049387 /nfs/dbraw/zinc/04/93/87/200049387.db2.gz PVAMRVNKPQYOEY-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cncs1 ZINC000338908040 366567134 /nfs/dbraw/zinc/56/71/34/366567134.db2.gz VFSQRSJZDSZBDP-SSDOTTSWSA-N -1 0 293.304 2.248 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237121243 370691489 /nfs/dbraw/zinc/69/14/89/370691489.db2.gz DFOAEABVKKUBPU-QMMMGPOBSA-N -1 0 280.280 2.164 20 5 CEBDRM O=C([O-])Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000087844409 363871969 /nfs/dbraw/zinc/87/19/69/363871969.db2.gz VBBMJDZFVUJURZ-UHFFFAOYSA-N -1 0 290.231 2.067 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1C1CC1 ZINC000092546617 364080506 /nfs/dbraw/zinc/08/05/06/364080506.db2.gz OAOXXOUKPBRZCP-VHSXEESVSA-N -1 0 262.265 2.285 20 5 CEBDRM CC(C)C[C@H](CNc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000094703207 364288562 /nfs/dbraw/zinc/28/85/62/364288562.db2.gz SCBQEMIPEHJOHS-SECBINFHSA-N -1 0 267.285 2.149 20 5 CEBDRM COc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC000097065098 364438091 /nfs/dbraw/zinc/43/80/91/364438091.db2.gz AWHQIJOPOINXBO-JGVFFNPUSA-N -1 0 298.270 2.408 20 5 CEBDRM CCOc1cc(NC[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000104246494 364688786 /nfs/dbraw/zinc/68/87/86/364688786.db2.gz GSTRTBBASHHYKO-MRVPVSSYSA-N -1 0 268.269 2.126 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000119096292 365216247 /nfs/dbraw/zinc/21/62/47/365216247.db2.gz NUMBZESBSTZRKH-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000582804586 366961657 /nfs/dbraw/zinc/96/16/57/366961657.db2.gz GCLOKCWYRNXPAF-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cccc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000583324713 367032600 /nfs/dbraw/zinc/03/26/00/367032600.db2.gz IAXBPFVGVNTTOW-QMTHXVAHSA-N -1 0 278.308 2.450 20 5 CEBDRM CCCCOCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163986821 367273720 /nfs/dbraw/zinc/27/37/20/367273720.db2.gz UXQQZQCNIWGJJM-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM CCC1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166700989 367327299 /nfs/dbraw/zinc/32/72/99/367327299.db2.gz FAJBLQBGURUGAH-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345480178 368292361 /nfs/dbraw/zinc/29/23/61/368292361.db2.gz IADCRBZJNVLPBI-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM CSCCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182031132 368516195 /nfs/dbraw/zinc/51/61/95/368516195.db2.gz IUSWTQBZPRJIGI-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184651007 368707659 /nfs/dbraw/zinc/70/76/59/368707659.db2.gz IVSPOZNHMGLCHC-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCC2(CC2)C1 ZINC000187579495 369183259 /nfs/dbraw/zinc/18/32/59/369183259.db2.gz LKVQEUXKRTVOFO-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000235323113 370560798 /nfs/dbraw/zinc/56/07/98/370560798.db2.gz PJBSTHPKBGDIDV-MFKMUULPSA-N -1 0 278.308 2.280 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234016386 370528038 /nfs/dbraw/zinc/52/80/38/370528038.db2.gz FPXUCCNROVRIFD-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000355568392 370603014 /nfs/dbraw/zinc/60/30/14/370603014.db2.gz BMVPRBMPALXIGB-QMMMGPOBSA-N -1 0 282.321 2.382 20 5 CEBDRM CC1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000236694879 370610148 /nfs/dbraw/zinc/61/01/48/370610148.db2.gz YOKSUNLKFPPYRV-UHFFFAOYSA-N -1 0 292.291 2.165 20 5 CEBDRM O=C(Nc1nc(C2CC2)c[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000359379316 371453675 /nfs/dbraw/zinc/45/36/75/371453675.db2.gz LUTVPXFRXKUOEL-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM O=C(Nc1nc(C2CC2)c[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000359378604 371453990 /nfs/dbraw/zinc/45/39/90/371453990.db2.gz IAUCMHHBLQRTKV-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CC(C)C)C(=O)[O-] ZINC000261623282 371682230 /nfs/dbraw/zinc/68/22/30/371682230.db2.gz AHUXAISDCUORPV-SECBINFHSA-N -1 0 284.316 2.031 20 5 CEBDRM CCc1ccc(C(=O)N(C)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262465073 371865522 /nfs/dbraw/zinc/86/55/22/371865522.db2.gz SUURQWANXMJETP-UHFFFAOYSA-N -1 0 294.307 2.092 20 5 CEBDRM CC1(C)CC[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000389024688 375297012 /nfs/dbraw/zinc/29/70/12/375297012.db2.gz HHVASCMAVVRLCG-SECBINFHSA-N -1 0 265.269 2.289 20 5 CEBDRM O=C([O-])CCCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000416428984 376068059 /nfs/dbraw/zinc/06/80/59/376068059.db2.gz UABWEQPXYYTAPG-UHFFFAOYSA-N -1 0 290.222 2.473 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000288007937 376358328 /nfs/dbraw/zinc/35/83/28/376358328.db2.gz IZQGOMVMDGHVTH-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM CCC[C@@H]1C[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262648527 190059436 /nfs/dbraw/zinc/05/94/36/190059436.db2.gz TWPGYOVZPSWWCZ-PELKAZGASA-N -1 0 292.291 2.211 20 5 CEBDRM Cc1cc(N2CCCO[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563714188 377281404 /nfs/dbraw/zinc/28/14/04/377281404.db2.gz HVVIYLGUGOXSAY-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(NCCC(C)(C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563715537 377281594 /nfs/dbraw/zinc/28/15/94/377281594.db2.gz KUANILNSMOVKTK-UHFFFAOYSA-N -1 0 282.296 2.174 20 5 CEBDRM COC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565034038 377537772 /nfs/dbraw/zinc/53/77/72/377537772.db2.gz CRXVVCSYHRPNGB-MRVPVSSYSA-N -1 0 268.269 2.048 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000293802895 377765159 /nfs/dbraw/zinc/76/51/59/377765159.db2.gz SYEVEFWFZYCTTC-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F ZINC000452859234 378731988 /nfs/dbraw/zinc/73/19/88/378731988.db2.gz IDVRTOYTEWTZPV-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C(C)(F)F ZINC000452869226 378734391 /nfs/dbraw/zinc/73/43/91/378734391.db2.gz OZPCQBRNQKXVBE-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158098418 296310070 /nfs/dbraw/zinc/31/00/70/296310070.db2.gz LPHNMROVVNZBTJ-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349322385 218844663 /nfs/dbraw/zinc/84/46/63/218844663.db2.gz CBYTYDLUKNPEDP-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cncs1 ZINC000355099992 533279138 /nfs/dbraw/zinc/27/91/38/533279138.db2.gz GHJRIVBHPPBBEN-SSDOTTSWSA-N -1 0 293.304 2.248 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130365964 394886565 /nfs/dbraw/zinc/88/65/65/394886565.db2.gz QIPJDCBKDMCQQQ-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(Nc1ccccc1O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130342100 394886662 /nfs/dbraw/zinc/88/66/62/394886662.db2.gz WXFMRGPGMZLIHJ-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM O=C(Nc1cccc2[nH]cnc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000130505309 394889768 /nfs/dbraw/zinc/88/97/68/394889768.db2.gz PDTDXLYZGQKBMO-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436784051 395152866 /nfs/dbraw/zinc/15/28/66/395152866.db2.gz ONPXWDUCPQKORP-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM CCN(CC(F)F)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354795799 395341396 /nfs/dbraw/zinc/34/13/96/395341396.db2.gz YOAMFLYSZCIFNB-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000191931870 296538776 /nfs/dbraw/zinc/53/87/76/296538776.db2.gz KWRGGJJHMRBKDJ-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1C ZINC000182078815 296538961 /nfs/dbraw/zinc/53/89/61/296538961.db2.gz WPQMHHXPPNYSMN-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000221011179 153304855 /nfs/dbraw/zinc/30/48/55/153304855.db2.gz ZIPQXUGKVSFVPO-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000263413776 154080444 /nfs/dbraw/zinc/08/04/44/154080444.db2.gz NGBMKMHBJDVTJG-CQSZACIVSA-N -1 0 292.291 2.098 20 5 CEBDRM CCC(=O)c1ccc(N(C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263486441 154100298 /nfs/dbraw/zinc/10/02/98/154100298.db2.gz HLLYPJBPOPUOFA-QMMMGPOBSA-N -1 0 280.280 2.097 20 5 CEBDRM CC[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362828764 155951340 /nfs/dbraw/zinc/95/13/40/155951340.db2.gz YOARJHPMAMHYET-QMMMGPOBSA-N -1 0 262.269 2.277 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000235635727 300071987 /nfs/dbraw/zinc/07/19/87/300071987.db2.gz HFFJJEDROAMISU-WPRPVWTQSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000191226455 297178275 /nfs/dbraw/zinc/17/82/75/297178275.db2.gz XLEILRKAYUBPDD-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM O=C([O-])CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186033 172040638 /nfs/dbraw/zinc/04/06/38/172040638.db2.gz LARIVPUWROSFNO-UHFFFAOYSA-N -1 0 275.264 2.420 20 5 CEBDRM CCCC[C@H](Nc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000035411092 172182258 /nfs/dbraw/zinc/18/22/58/172182258.db2.gz CUWUDUGQLKMACY-VIFPVBQESA-N -1 0 253.258 2.045 20 5 CEBDRM Cc1ccc(NC(=O)CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000035721710 172377011 /nfs/dbraw/zinc/37/70/11/172377011.db2.gz WLQKJQMYUHHTIG-UHFFFAOYSA-N -1 0 280.280 2.487 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cn1 ZINC000430983751 419408691 /nfs/dbraw/zinc/40/86/91/419408691.db2.gz IIHFAVHMCOJEHL-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1C(F)F ZINC000436701001 271684191 /nfs/dbraw/zinc/68/41/91/271684191.db2.gz XUKCRFJQOUVLPE-SECBINFHSA-N -1 0 286.234 2.170 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436955412 271696652 /nfs/dbraw/zinc/69/66/52/271696652.db2.gz FMRMOILFMZHKNZ-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM CN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436979063 271698377 /nfs/dbraw/zinc/69/83/77/271698377.db2.gz KEULWCBDAHBZTC-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CCN(CC(F)F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000184648902 280119469 /nfs/dbraw/zinc/11/94/69/280119469.db2.gz RVLDYUDDHHODHO-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000444471920 281607244 /nfs/dbraw/zinc/60/72/44/281607244.db2.gz BJQSCJIMYDYECZ-DTWKUNHWSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000163968644 297356073 /nfs/dbraw/zinc/35/60/73/297356073.db2.gz REGNKCYPBBYAFY-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccccc2[N+](=O)[O-])C1 ZINC000263218970 300474365 /nfs/dbraw/zinc/47/43/65/300474365.db2.gz OQMZGRMEGBOYNG-UWVGGRQHSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1cc(NC[C@H](O)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563208744 313722661 /nfs/dbraw/zinc/72/26/61/313722661.db2.gz XOGITAUBBIHLNN-LBPRGKRZSA-N -1 0 282.296 2.030 20 5 CEBDRM Cc1cc(NC[C@@H]2CCC[C@H]2O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563214151 313724174 /nfs/dbraw/zinc/72/41/74/313724174.db2.gz PGRLUEUKKMNTDD-TVQRCGJNSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2CC(=O)[O-])n1 ZINC000573004216 314135158 /nfs/dbraw/zinc/13/51/58/314135158.db2.gz SPZGTFRYVWHXJV-JTQLQIEISA-N -1 0 279.296 2.050 20 5 CEBDRM CO[C@@H](C)[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000576163137 314248664 /nfs/dbraw/zinc/24/86/64/314248664.db2.gz AQRCDMHXHSVAQJ-BDAKNGLRSA-N -1 0 282.296 2.437 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)C[C@@H]2C)n1 ZINC000576994090 314331003 /nfs/dbraw/zinc/33/10/03/314331003.db2.gz JISYYKXKGCUDGP-CBAPKCEASA-N -1 0 279.296 2.231 20 5 CEBDRM CC(C)[C@@H](O)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000577496775 314383365 /nfs/dbraw/zinc/38/33/65/314383365.db2.gz SNDANHDDRVMZBD-ZDUSSCGKSA-N -1 0 296.323 2.041 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000295477941 518181310 /nfs/dbraw/zinc/18/13/10/518181310.db2.gz IJDCVMCZKHDAFE-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM Cc1cnccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160296036 534711541 /nfs/dbraw/zinc/71/15/41/534711541.db2.gz VPULSBFGGGXLGV-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000062874915 523701506 /nfs/dbraw/zinc/70/15/06/523701506.db2.gz BTGKTXAWGJMYMJ-CQSZACIVSA-N -1 0 293.323 2.379 20 5 CEBDRM CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000401316030 527916861 /nfs/dbraw/zinc/91/68/61/527916861.db2.gz DBBLDYISUWSLDG-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164598283 529314065 /nfs/dbraw/zinc/31/40/65/529314065.db2.gz BRFREQQJMATDLR-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM CC[C@@H](C)CN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736323079 574783018 /nfs/dbraw/zinc/78/30/18/574783018.db2.gz TYLJWPKVZNONAZ-SECBINFHSA-N -1 0 290.327 2.257 20 5 CEBDRM CC(C)C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000736424436 574787520 /nfs/dbraw/zinc/78/75/20/574787520.db2.gz GKANZGKKXUQWHH-LLVKDONJSA-N -1 0 281.264 2.251 20 5 CEBDRM C[C@H](CO)[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736607643 574793466 /nfs/dbraw/zinc/79/34/66/574793466.db2.gz YEJNLFBOOWBQRL-HANDCERCSA-N -1 0 294.307 2.121 20 5 CEBDRM CN(CCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000737429423 574833894 /nfs/dbraw/zinc/83/38/94/574833894.db2.gz HXJVRWLIZGZLCH-UHFFFAOYSA-N -1 0 299.258 2.062 20 5 CEBDRM C[C@H](SCCOc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000739055503 574891642 /nfs/dbraw/zinc/89/16/42/574891642.db2.gz NTVPQBNCGFXSKD-QMMMGPOBSA-N -1 0 271.294 2.180 20 5 CEBDRM C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739186012 574898378 /nfs/dbraw/zinc/89/83/78/574898378.db2.gz CPBJKQCVSVDUFL-IUCAKERBSA-N -1 0 299.352 2.229 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C(=O)[O-] ZINC000739188095 574898860 /nfs/dbraw/zinc/89/88/60/574898860.db2.gz BJPQESJAANOTKL-IUCAKERBSA-N -1 0 297.286 2.311 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H](C)N1C(=O)[O-] ZINC000739194557 574899174 /nfs/dbraw/zinc/89/91/74/574899174.db2.gz PPHUPVOURKFETA-HTQZYQBOSA-N -1 0 285.325 2.233 20 5 CEBDRM C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739194561 574899258 /nfs/dbraw/zinc/89/92/58/574899258.db2.gz PPJSGJWGPOWTAX-UWVGGRQHSA-N -1 0 279.296 2.077 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000739589486 574927845 /nfs/dbraw/zinc/92/78/45/574927845.db2.gz YVKNPKVAPOKENX-SNVBAGLBSA-N -1 0 279.296 2.173 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000739927154 574936730 /nfs/dbraw/zinc/93/67/30/574936730.db2.gz COPYDRSEMOPNJT-VIFPVBQESA-N -1 0 283.259 2.288 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCN(C(=O)[O-])C1 ZINC000740098847 574942079 /nfs/dbraw/zinc/94/20/79/574942079.db2.gz KNHJBOVRPFYVCS-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000740522109 574957969 /nfs/dbraw/zinc/95/79/69/574957969.db2.gz ZMQTYFXWHYIWGU-ZETCQYMHSA-N -1 0 271.298 2.211 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCCCCC(=O)[O-])c1 ZINC000821103972 597845693 /nfs/dbraw/zinc/84/56/93/597845693.db2.gz XGLHYJXXOGEMCW-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM O=C([O-])c1coc(COc2cccc([N+](=O)[O-])c2)c1 ZINC000051329367 599802378 /nfs/dbraw/zinc/80/23/78/599802378.db2.gz MOICSBPNKGGGIN-UHFFFAOYSA-N -1 0 263.205 2.465 20 5 CEBDRM Cc1ccnc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000217319703 600205597 /nfs/dbraw/zinc/20/55/97/600205597.db2.gz FFXMPLPQHNQOHA-UHFFFAOYSA-N -1 0 275.220 2.184 20 5 CEBDRM COCCSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000831788071 600730486 /nfs/dbraw/zinc/73/04/86/600730486.db2.gz CYTKOSXCNXTYOE-HWKANZROSA-N -1 0 283.305 2.431 20 5 CEBDRM O=C([O-])[C@@]1(F)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000833175954 601379407 /nfs/dbraw/zinc/37/94/07/601379407.db2.gz NQYHYLAGSVKDKC-LLVKDONJSA-N -1 0 288.662 2.251 20 5 CEBDRM C/C(=C/COC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000825770197 601409406 /nfs/dbraw/zinc/40/94/06/601409406.db2.gz WMUYIQNFEWHHLI-TWGQIWQCSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1c(COC(=O)[C@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000832853452 602280302 /nfs/dbraw/zinc/28/03/02/602280302.db2.gz MJMAWRQEFVLPQJ-MRVPVSSYSA-N -1 0 281.264 2.057 20 5 CEBDRM Cc1cnc(N[C@H]2CCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634021 603208714 /nfs/dbraw/zinc/20/87/14/603208714.db2.gz HNQFIRAWVKWBBY-ZJUUUORDSA-N -1 0 294.311 2.146 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)NC(=O)[O-] ZINC000829040028 603442122 /nfs/dbraw/zinc/44/21/22/603442122.db2.gz HOUFBBAKESLSHS-SECBINFHSA-N -1 0 297.311 2.199 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)NC(=O)[O-] ZINC000829040568 603444688 /nfs/dbraw/zinc/44/46/88/603444688.db2.gz OVSPXZVWASEAMU-UHFFFAOYSA-N -1 0 297.311 2.199 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000830426839 603549992 /nfs/dbraw/zinc/54/99/92/603549992.db2.gz BSCBKBXWMPFUSR-JTQLQIEISA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000830427857 603555648 /nfs/dbraw/zinc/55/56/48/603555648.db2.gz OXENWDFNARVSLQ-GHMZBOCLSA-N -1 0 293.323 2.386 20 5 CEBDRM CN(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000820569458 604539648 /nfs/dbraw/zinc/53/96/48/604539648.db2.gz QSOUUTFQAGSDSW-UHFFFAOYSA-N -1 0 290.275 2.371 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263245156 624353474 /nfs/dbraw/zinc/35/34/74/624353474.db2.gz SDVSDZKWLXJKMI-MNOVXSKESA-N -1 0 278.308 2.450 20 5 CEBDRM COc1c(O)ccc(CN[C@@H](C)C(F)(F)F)c1[N+](=O)[O-] ZINC000894518803 629509058 /nfs/dbraw/zinc/50/90/58/629509058.db2.gz OKKMZLMURGGGMQ-LURJTMIESA-N -1 0 294.229 2.349 20 5 CEBDRM CC(=O)OCCCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000840207893 632268161 /nfs/dbraw/zinc/26/81/61/632268161.db2.gz YOZLGGCVIVETPX-UHFFFAOYSA-N -1 0 285.321 2.487 20 5 CEBDRM O=c1cc(C2CCOCC2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000899346140 632793131 /nfs/dbraw/zinc/79/31/31/632793131.db2.gz CQZZGJKCCDUKLI-UHFFFAOYSA-N -1 0 289.291 2.114 20 5 CEBDRM CO[C@@H](C)c1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000899349654 632799437 /nfs/dbraw/zinc/79/94/37/632799437.db2.gz JASBQGHTCIRWJG-VIFPVBQESA-N -1 0 277.280 2.031 20 5 CEBDRM Cc1cc(N2CCO[C@H](C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000906155126 636613510 /nfs/dbraw/zinc/61/35/10/636613510.db2.gz DCDGSQACWMZVRF-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM O=C(NCCC1CC=CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000831441318 637330568 /nfs/dbraw/zinc/33/05/68/637330568.db2.gz AXSJSEJPQMYYFW-UHFFFAOYSA-N -1 0 276.292 2.387 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCCCCO2)c([N+](=O)[O-])c1 ZINC000910385923 638032348 /nfs/dbraw/zinc/03/23/48/638032348.db2.gz IGKMCGJRRBYWQL-UHFFFAOYSA-N -1 0 280.280 2.144 20 5 CEBDRM O=C([O-])C12CC(C1)CN2c1ccc([N+](=O)[O-])c2cnccc21 ZINC000910462267 638059628 /nfs/dbraw/zinc/05/96/28/638059628.db2.gz FGXGGMPLUOCCAL-UHFFFAOYSA-N -1 0 299.286 2.196 20 5 CEBDRM O=C([O-])C12CC(C1)CN2c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000910467458 638064851 /nfs/dbraw/zinc/06/48/51/638064851.db2.gz XLPYISXZAIFZRZ-UHFFFAOYSA-N -1 0 299.286 2.196 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1=COCCC1 ZINC000837510476 639260572 /nfs/dbraw/zinc/26/05/72/639260572.db2.gz KBJMSKDEZMLZLH-UHFFFAOYSA-N -1 0 279.248 2.038 20 5 CEBDRM CC[C@@H]1CC[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837574511 639289312 /nfs/dbraw/zinc/28/93/12/639289312.db2.gz QPHBXDOHOWNLNV-DGCLKSJQSA-N -1 0 295.291 2.301 20 5 CEBDRM CC[C@](C)(OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837700775 639349676 /nfs/dbraw/zinc/34/96/76/639349676.db2.gz NZVGCELYCHKMTN-ZDUSSCGKSA-N -1 0 283.280 2.159 20 5 CEBDRM CO[C@@](C)(C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000837740523 639368937 /nfs/dbraw/zinc/36/89/37/639368937.db2.gz NZDNEQCHBKTKFE-CQSZACIVSA-N -1 0 295.291 2.159 20 5 CEBDRM CC[C@H](C)[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000841491145 639776582 /nfs/dbraw/zinc/77/65/82/639776582.db2.gz ZAMKTZJJIRIXLV-WPRPVWTQSA-N -1 0 292.295 2.154 20 5 CEBDRM CC(C)C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000841491048 639776585 /nfs/dbraw/zinc/77/65/85/639776585.db2.gz QQGLNGMWWCXBKB-VIFPVBQESA-N -1 0 292.295 2.154 20 5 CEBDRM CC[C@H](Sc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000844207045 640631951 /nfs/dbraw/zinc/63/19/51/640631951.db2.gz SXVBRMJSEYXMMG-QMMMGPOBSA-N -1 0 256.283 2.132 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000844217112 640634775 /nfs/dbraw/zinc/63/47/75/640634775.db2.gz ZLVQYDBYVJWPNM-VLWUPBBWSA-N -1 0 292.291 2.284 20 5 CEBDRM COc1cc(C)ccc1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000916856521 640825159 /nfs/dbraw/zinc/82/51/59/640825159.db2.gz RCIWLCKZEKDARO-UHFFFAOYSA-N -1 0 276.248 2.459 20 5 CEBDRM COC(C)(C)[C@@H](C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000922582067 643141737 /nfs/dbraw/zinc/14/17/37/643141737.db2.gz SLGIZNARGOFBMY-SECBINFHSA-N -1 0 268.313 2.204 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1NCC1(C(=O)[O-])CCC1 ZINC000852912672 643597095 /nfs/dbraw/zinc/59/70/95/643597095.db2.gz DLNJNEARIJHDRI-UHFFFAOYSA-N -1 0 292.291 2.464 20 5 CEBDRM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000923450730 643720815 /nfs/dbraw/zinc/72/08/15/643720815.db2.gz ICHRWWVUCWFKLB-AQUOVQTQSA-N -1 0 295.291 2.015 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc(C2CC2)no1 ZINC000761177438 645253983 /nfs/dbraw/zinc/25/39/83/645253983.db2.gz LBARABFUQINXPB-ZCFIWIBFSA-N -1 0 292.251 2.101 20 5 CEBDRM Cc1ccc(CNC(=O)CCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000864216928 646945698 /nfs/dbraw/zinc/94/56/98/646945698.db2.gz RXEWKSKRJGRSGU-UHFFFAOYSA-N -1 0 294.307 2.164 20 5 CEBDRM CS[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780590843 647449264 /nfs/dbraw/zinc/44/92/64/647449264.db2.gz VMABAODXSPSCJO-BXKDBHETSA-N -1 0 296.348 2.314 20 5 CEBDRM CCOC(=O)[C@H](CC)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000789473939 648307252 /nfs/dbraw/zinc/30/72/52/648307252.db2.gz ZUWRGKGUCGTIDV-RKDXNWHRSA-N -1 0 298.295 2.058 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000869652636 648551566 /nfs/dbraw/zinc/55/15/66/648551566.db2.gz WAFIHXWNSYTXNK-PTRXPTGYSA-N -1 0 295.291 2.157 20 5 CEBDRM O=C(OC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000806052430 648857574 /nfs/dbraw/zinc/85/75/74/648857574.db2.gz GAJALRQBDPOWSK-MRVPVSSYSA-N -1 0 270.310 2.223 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000871032164 648984709 /nfs/dbraw/zinc/98/47/09/648984709.db2.gz MICSNMWIZLVYGJ-GFCCVEGCSA-N -1 0 296.348 2.316 20 5 CEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001228971341 806370386 /nfs/dbraw/zinc/37/03/86/806370386.db2.gz NVBDVKYJOOGVQK-SRSLHRDFSA-N -1 0 251.238 2.183 20 5 CEBDRM CC[C@@H](C)[C@H](C)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229377264 806478683 /nfs/dbraw/zinc/47/86/83/806478683.db2.gz ABGXJEFHQICJCQ-RQJHMYQMSA-N -1 0 255.274 2.212 20 5 CEBDRM Cc1ccc(N[C@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000694983108 803601690 /nfs/dbraw/zinc/60/16/90/803601690.db2.gz BVAZOYNWQSKXFT-JTQLQIEISA-N -1 0 262.265 2.489 20 5 CEBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)on1 ZINC001174502526 816028729 /nfs/dbraw/zinc/02/87/29/816028729.db2.gz SSBKRVXGHAXUFZ-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM Cc1nsc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176672664 816452378 /nfs/dbraw/zinc/45/23/78/816452378.db2.gz PXVWSWCZGDGVKI-UHFFFAOYSA-N -1 0 280.265 2.197 20 5 CEBDRM Cc1cncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000080299409 344005114 /nfs/dbraw/zinc/00/51/14/344005114.db2.gz BBNZYPZOBUIQRR-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(N[C@]12C[C@H]1CCCC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000601778332 346895997 /nfs/dbraw/zinc/89/59/97/346895997.db2.gz VHJCGXVUVICDTR-YMTOWFKASA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CCC2 ZINC000601934702 346931242 /nfs/dbraw/zinc/93/12/42/346931242.db2.gz CSIFTLWOJNZYQM-JTQLQIEISA-N -1 0 259.265 2.406 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2n[nH]cc2c1 ZINC000092546163 344194408 /nfs/dbraw/zinc/19/44/08/344194408.db2.gz PLDHJYOWVJXGEK-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM Cc1cc(OCCCC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000123332781 344309904 /nfs/dbraw/zinc/30/99/04/344309904.db2.gz VONMQIIUGOIPPT-UHFFFAOYSA-N -1 0 257.217 2.286 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000164564124 344472561 /nfs/dbraw/zinc/47/25/61/344472561.db2.gz MLWQZZXUDXZFDC-QPUJVOFHSA-N -1 0 298.320 2.030 20 5 CEBDRM O=C([O-])C1(CNc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000165967650 344475476 /nfs/dbraw/zinc/47/54/76/344475476.db2.gz DSOWNMRQIXAQFR-UHFFFAOYSA-N -1 0 298.270 2.027 20 5 CEBDRM O=C([O-])CCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000236426869 344595380 /nfs/dbraw/zinc/59/53/80/344595380.db2.gz OKFKNLJAXLZFLH-UHFFFAOYSA-N -1 0 259.645 2.492 20 5 CEBDRM CCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000291049093 282346861 /nfs/dbraw/zinc/34/68/61/282346861.db2.gz JIMRBYWWKFHKPJ-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1nc2sccn2c1[N+](=O)[O-] ZINC000050196217 362409414 /nfs/dbraw/zinc/40/94/14/362409414.db2.gz KBLSSOOTZQDJKM-UHFFFAOYSA-N -1 0 298.324 2.359 20 5 CEBDRM C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000054334916 362528753 /nfs/dbraw/zinc/52/87/53/362528753.db2.gz IKODXUFFZZIDKQ-ZCFIWIBFSA-N -1 0 258.661 2.381 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C(F)F)C1 ZINC000590169361 345119300 /nfs/dbraw/zinc/11/93/00/345119300.db2.gz XQGRWSLLNHLIRW-QMMMGPOBSA-N -1 0 272.251 2.387 20 5 CEBDRM O=C([O-])CCCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000591326722 345240377 /nfs/dbraw/zinc/24/03/77/345240377.db2.gz MBBGCSIHGFOHOG-UHFFFAOYSA-N -1 0 279.296 2.230 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2sccc2[N+](=O)[O-])C1 ZINC000591561672 345264827 /nfs/dbraw/zinc/26/48/27/345264827.db2.gz XKXZRWBJZGOTPH-JGVFFNPUSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000592903825 345413882 /nfs/dbraw/zinc/41/38/82/345413882.db2.gz QDWWIQWZWJFXOF-INTQDDNPSA-N -1 0 276.292 2.219 20 5 CEBDRM CCN(CCSC)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000592917333 345414455 /nfs/dbraw/zinc/41/44/55/345414455.db2.gz HSEZFYPUAGOVIG-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM C[C@@H]1C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592970143 345417233 /nfs/dbraw/zinc/41/72/33/345417233.db2.gz MGPMBOKQSRPKJW-GMSGAONNSA-N -1 0 250.254 2.042 20 5 CEBDRM C[C@H]1CC(C)(C)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592973870 345417291 /nfs/dbraw/zinc/41/72/91/345417291.db2.gz BKKJCZUDBZJOGQ-QMMMGPOBSA-N -1 0 279.296 2.313 20 5 CEBDRM C[C@H]1COCC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592976958 345417859 /nfs/dbraw/zinc/41/78/59/345417859.db2.gz OQVHURCNMXIKFK-ONGXEEELSA-N -1 0 294.307 2.059 20 5 CEBDRM CC1(C)CC[C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000592979378 345417926 /nfs/dbraw/zinc/41/79/26/345417926.db2.gz HOYYFAASHIHOID-SECBINFHSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](F)C1 ZINC000592800923 345397977 /nfs/dbraw/zinc/39/79/77/345397977.db2.gz DMZIOUJKWKAPNT-SSDOTTSWSA-N -1 0 288.662 2.138 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000593326124 345467090 /nfs/dbraw/zinc/46/70/90/345467090.db2.gz DESCYZXTWGEKES-LLVKDONJSA-N -1 0 289.291 2.442 20 5 CEBDRM CO[C@@H]1CCCC[C@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593755492 345533051 /nfs/dbraw/zinc/53/30/51/345533051.db2.gz LGUFLBOLFNJWLO-NXEZZACHSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC12CCCC2 ZINC000593762477 345534420 /nfs/dbraw/zinc/53/44/20/345534420.db2.gz VMRKYDYAOULGND-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595277880 345753284 /nfs/dbraw/zinc/75/32/84/345753284.db2.gz QALPQNZVZIOPFI-PSASIEDQSA-N -1 0 262.265 2.139 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](CC(=O)[O-])C1 ZINC000595965305 345918561 /nfs/dbraw/zinc/91/85/61/345918561.db2.gz CDHXSNZGEYRCQT-JTQLQIEISA-N -1 0 294.307 2.295 20 5 CEBDRM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000179531437 232394727 /nfs/dbraw/zinc/39/47/27/232394727.db2.gz WCJMSDZSPRTNSE-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@H](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597978012 346262365 /nfs/dbraw/zinc/26/23/65/346262365.db2.gz NKVNJAWWWCOSBG-VIFPVBQESA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(F)F ZINC000598213212 346306665 /nfs/dbraw/zinc/30/66/65/346306665.db2.gz AXIOLINJQUVYGQ-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600162295 346610590 /nfs/dbraw/zinc/61/05/90/346610590.db2.gz QIHLSIAGYCPSTG-OUAUKWLOSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]2C[C@H]2C1 ZINC000600502137 346645329 /nfs/dbraw/zinc/64/53/29/346645329.db2.gz XBCBISBRFSZGCU-HBYGRHMLSA-N -1 0 290.319 2.466 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000600802190 346692876 /nfs/dbraw/zinc/69/28/76/346692876.db2.gz STZAQDNESWMFTF-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM O=C(Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610016169 347658055 /nfs/dbraw/zinc/65/80/55/347658055.db2.gz PKCOHZWPIUUCOL-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC12CCC2 ZINC000611294647 347764072 /nfs/dbraw/zinc/76/40/72/347764072.db2.gz MJXFFJFNZQWGSG-SECBINFHSA-N -1 0 262.265 2.429 20 5 CEBDRM O=[N+]([O-])c1ccsc1[N-]c1ccn(CC(F)F)n1 ZINC000611413337 347776108 /nfs/dbraw/zinc/77/61/08/347776108.db2.gz IXSKYKZKWCDCAT-UHFFFAOYSA-N -1 0 274.252 2.283 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1=O ZINC000356302452 232810904 /nfs/dbraw/zinc/81/09/04/232810904.db2.gz ZXFUZXLVEQVKMC-IUCAKERBSA-N -1 0 292.291 2.244 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613873673 348117462 /nfs/dbraw/zinc/11/74/62/348117462.db2.gz HZNPIOHJONHGCT-MRVPVSSYSA-N -1 0 252.270 2.219 20 5 CEBDRM CC(C)[C@H](CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000087507297 179436772 /nfs/dbraw/zinc/43/67/72/179436772.db2.gz BYOJFPJRKWHOIP-VIFPVBQESA-N -1 0 252.270 2.364 20 5 CEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000087507133 179436779 /nfs/dbraw/zinc/43/67/79/179436779.db2.gz LXJGXWMWLWRMRM-LLVKDONJSA-N -1 0 252.270 2.364 20 5 CEBDRM CCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432213 192147693 /nfs/dbraw/zinc/14/76/93/192147693.db2.gz VZJQWDYBSCUHIW-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184623151 535165226 /nfs/dbraw/zinc/16/52/26/535165226.db2.gz ZLICOZWESRDXQR-MRVPVSSYSA-N -1 0 252.270 2.075 20 5 CEBDRM C[C@@H]1CSCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000070543637 363095626 /nfs/dbraw/zinc/09/56/26/363095626.db2.gz ZYXNJQZCNIVJRI-MRVPVSSYSA-N -1 0 282.321 2.235 20 5 CEBDRM CC[C@@H](C)CO[N-]C(=O)COc1ccccc1[N+](=O)[O-] ZINC000292067628 198150622 /nfs/dbraw/zinc/15/06/22/198150622.db2.gz HZDVKLXHTXTUNR-SNVBAGLBSA-N -1 0 282.296 2.068 20 5 CEBDRM C[C@H](CO)CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569461165 299204165 /nfs/dbraw/zinc/20/41/65/299204165.db2.gz UCQVSMHBYYLVPM-JTQLQIEISA-N -1 0 296.323 2.042 20 5 CEBDRM CC(C)CO[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000135337783 366429096 /nfs/dbraw/zinc/42/90/96/366429096.db2.gz CDWUGZUVSMPBQQ-UHFFFAOYSA-N -1 0 284.337 2.391 20 5 CEBDRM CO[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC(C)C ZINC000416262051 236781700 /nfs/dbraw/zinc/78/17/00/236781700.db2.gz NSVVOQSGLCVHSU-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM CCc1ccc(C(=O)N(CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000178067638 189088804 /nfs/dbraw/zinc/08/88/04/189088804.db2.gz TWTKNNCJGWUHEA-UHFFFAOYSA-N -1 0 294.307 2.092 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC000356372939 370683457 /nfs/dbraw/zinc/68/34/57/370683457.db2.gz ZBXAPKJBOMDRQS-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182094282 189314075 /nfs/dbraw/zinc/31/40/75/189314075.db2.gz FXNQTWWFLMZCAM-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM O=[N+]([O-])c1cccnc1[N-]c1ccn(CC(F)F)n1 ZINC000301552985 201064585 /nfs/dbraw/zinc/06/45/85/201064585.db2.gz RKHFSPFTZUYZGN-UHFFFAOYSA-N -1 0 269.211 2.195 20 5 CEBDRM CCN(CC(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184658367 189392134 /nfs/dbraw/zinc/39/21/34/189392134.db2.gz MEAPVBAMDNSUFJ-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sn1 ZINC000356617062 370774322 /nfs/dbraw/zinc/77/43/22/370774322.db2.gz ISJBKVPQKWFVCG-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccn1 ZINC000116600258 365062881 /nfs/dbraw/zinc/06/28/81/365062881.db2.gz VTSGTUUIARJICY-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000263483622 304123103 /nfs/dbraw/zinc/12/31/03/304123103.db2.gz GVAULRKCMVLGTQ-SNVBAGLBSA-N -1 0 287.275 2.054 20 5 CEBDRM CC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000582847130 366967115 /nfs/dbraw/zinc/96/71/15/366967115.db2.gz AWXXRHSJIALAIE-MWLCHTKSSA-N -1 0 294.307 2.297 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC[C@H]1C1CCC1 ZINC000584349326 367148500 /nfs/dbraw/zinc/14/85/00/367148500.db2.gz OLWLBKNYAVXZCJ-HNNXBMFYSA-N -1 0 292.335 2.301 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC[C@@H]1C1CCC1 ZINC000584349327 367148846 /nfs/dbraw/zinc/14/88/46/367148846.db2.gz OLWLBKNYAVXZCJ-OAHLLOKOSA-N -1 0 292.335 2.301 20 5 CEBDRM C[C@@H]1CCC[C@@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166761126 367328821 /nfs/dbraw/zinc/32/88/21/367328821.db2.gz RQRAJNNIHNOEES-SFYZADRCSA-N -1 0 265.269 2.289 20 5 CEBDRM C[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000166164400 367319632 /nfs/dbraw/zinc/31/96/32/367319632.db2.gz AWLAIWNOKPDYAD-SSDOTTSWSA-N -1 0 250.254 2.285 20 5 CEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC=CCC2)s1 ZINC000172465406 367751770 /nfs/dbraw/zinc/75/17/70/367751770.db2.gz XKIMMGYCBYFZOS-MRVPVSSYSA-N -1 0 288.350 2.043 20 5 CEBDRM Cc1ncc(CNc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC000343598918 367907714 /nfs/dbraw/zinc/90/77/14/367907714.db2.gz IOCBZRLSUWTQKG-UHFFFAOYSA-N -1 0 260.253 2.011 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccon2)c1C ZINC000180667500 368390838 /nfs/dbraw/zinc/39/08/38/368390838.db2.gz XKEYKEPCIBFMPM-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000182078858 368522690 /nfs/dbraw/zinc/52/26/90/368522690.db2.gz WPQMHHXPPNYSMN-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM CN(Cc1nccs1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182071195 368520788 /nfs/dbraw/zinc/52/07/88/368520788.db2.gz GXBNKCLFHVNOSH-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000185875052 368877877 /nfs/dbraw/zinc/87/78/77/368877877.db2.gz VYNJQTOUQQGCEL-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000185875014 368878397 /nfs/dbraw/zinc/87/83/97/368878397.db2.gz VYNJQTOUQQGCEL-ZJUUUORDSA-N -1 0 278.308 2.419 20 5 CEBDRM COCCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211857942 370164681 /nfs/dbraw/zinc/16/46/81/370164681.db2.gz REWJFLMIWCPBDF-UHFFFAOYSA-N -1 0 268.269 2.132 20 5 CEBDRM CCCCN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232953748 370515440 /nfs/dbraw/zinc/51/54/40/370515440.db2.gz FGZFLDBVAAKFJC-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000235321299 370561031 /nfs/dbraw/zinc/56/10/31/370561031.db2.gz HFFJJEDROAMISU-PSASIEDQSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(Nc1nccs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236563748 370591995 /nfs/dbraw/zinc/59/19/95/370591995.db2.gz KFAGDZLWSBLUHZ-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM O=C(NCC1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236560677 370592678 /nfs/dbraw/zinc/59/26/78/370592678.db2.gz VRNSRIVOJJQKIR-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC(C)N(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000236696923 370610491 /nfs/dbraw/zinc/61/04/91/370610491.db2.gz ATWJFAXZFDEGKU-UHFFFAOYSA-N -1 0 292.291 2.306 20 5 CEBDRM C[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(F)F ZINC000331945577 204321362 /nfs/dbraw/zinc/32/13/62/204321362.db2.gz JACLAOMVBZGVBI-ANLVUFKYSA-N -1 0 272.207 2.140 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1CSc1n[n-]c(=N)s1 ZINC000362338759 372319299 /nfs/dbraw/zinc/31/92/99/372319299.db2.gz GHAVJYYKUVMBLU-UHFFFAOYSA-N -1 0 298.349 2.160 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3ccccn3)[n-]2)cc1 ZINC000362817695 372534733 /nfs/dbraw/zinc/53/47/33/372534733.db2.gz NQICGQHPCMAWAP-UHFFFAOYSA-N -1 0 297.274 2.074 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272633419 373592427 /nfs/dbraw/zinc/59/24/27/373592427.db2.gz BXMICFQCSUDDDK-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM CSC[C@@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272661582 373604701 /nfs/dbraw/zinc/60/47/01/373604701.db2.gz HPTOTAQPUSTPHT-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@@H]1CC2(CCC2)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000372893719 374217544 /nfs/dbraw/zinc/21/75/44/374217544.db2.gz XSJYFMFOPZUAIJ-SECBINFHSA-N -1 0 291.307 2.100 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000408070508 375401577 /nfs/dbraw/zinc/40/15/77/375401577.db2.gz NMDOZKDVFYKFCM-HUUCEWRRSA-N -1 0 292.335 2.444 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124704581 304192016 /nfs/dbraw/zinc/19/20/16/304192016.db2.gz DUKXLKRVJKBRBU-ZETCQYMHSA-N -1 0 270.672 2.159 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427923120 377467828 /nfs/dbraw/zinc/46/78/28/377467828.db2.gz FGDWUNOWRRMJQO-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C(CSC1CC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000295705714 378272570 /nfs/dbraw/zinc/27/25/70/378272570.db2.gz QVUIUUZQJZZIFA-UHFFFAOYSA-N -1 0 268.294 2.135 20 5 CEBDRM Cc1nc([N-]c2ccn(CCC(C)C)n2)ncc1[N+](=O)[O-] ZINC000450430580 378413226 /nfs/dbraw/zinc/41/32/26/378413226.db2.gz SUTKIQXXEFLKAN-UHFFFAOYSA-N -1 0 290.327 2.101 20 5 CEBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C(C)(F)F ZINC000452869213 378734015 /nfs/dbraw/zinc/73/40/15/378734015.db2.gz OZPCQBRNQKXVBE-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM CCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000299331158 378965067 /nfs/dbraw/zinc/96/50/67/378965067.db2.gz GTHMPIZXECQFDR-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM CCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000574813718 299529124 /nfs/dbraw/zinc/52/91/24/299529124.db2.gz HMQWAVZXZVEPHI-UHFFFAOYSA-N -1 0 252.270 2.448 20 5 CEBDRM Cc1cc(N[C@@H]2CCOC[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574991717 299546410 /nfs/dbraw/zinc/54/64/10/299546410.db2.gz GCHHFWJUYFSUGC-MWLCHTKSSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000281677106 195332218 /nfs/dbraw/zinc/33/22/18/195332218.db2.gz UGBDJECVSAUAKH-IUCAKERBSA-N -1 0 292.291 2.244 20 5 CEBDRM CCc1onc(C)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119395991 394767393 /nfs/dbraw/zinc/76/73/93/394767393.db2.gz IFVVZAPSRGIZOP-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM Cc1cccnc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130327135 394885578 /nfs/dbraw/zinc/88/55/78/394885578.db2.gz CHEDOLRULSGSAT-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157818188 395035721 /nfs/dbraw/zinc/03/57/21/395035721.db2.gz NFDZDHMEWATMST-GZMMTYOYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ncccn1 ZINC000436475819 395119588 /nfs/dbraw/zinc/11/95/88/395119588.db2.gz VYXOFEUAXJRMNI-UHFFFAOYSA-N -1 0 263.278 2.383 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436881577 395160069 /nfs/dbraw/zinc/16/00/69/395160069.db2.gz SYKPLHBPLAENEN-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436784052 395153330 /nfs/dbraw/zinc/15/33/30/395153330.db2.gz ONPXWDUCPQKORP-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(Nc1ccc2[nH]cnc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955825 395167044 /nfs/dbraw/zinc/16/70/44/395167044.db2.gz IUMGIVVWHLFONU-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000399534444 395246627 /nfs/dbraw/zinc/24/66/27/395246627.db2.gz HVGUFQKCTXAMEB-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM CCC1(O)CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000574522410 395631462 /nfs/dbraw/zinc/63/14/62/395631462.db2.gz VWCHONZXEXSUHH-UHFFFAOYSA-N -1 0 294.307 2.034 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000188066752 296643252 /nfs/dbraw/zinc/64/32/52/296643252.db2.gz WSFDUXNJBNSPQP-RKDXNWHRSA-N -1 0 264.281 2.313 20 5 CEBDRM Cc1c(NC(=O)c2ccc(C(=O)[O-])o2)cccc1[N+](=O)[O-] ZINC000225889633 153332364 /nfs/dbraw/zinc/33/23/64/153332364.db2.gz OYIORGLHIYJYCY-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM COc1cc(N(C)CCCC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000227855183 153349670 /nfs/dbraw/zinc/34/96/70/153349670.db2.gz YEBGKEPOPQVHAI-UHFFFAOYSA-N -1 0 286.259 2.044 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000359784664 155128598 /nfs/dbraw/zinc/12/85/98/155128598.db2.gz GOMQPDNIGYACLM-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM O=C([O-])c1cc(N2CCC(CF)CC2)ccc1[N+](=O)[O-] ZINC000518381821 260392020 /nfs/dbraw/zinc/39/20/20/260392020.db2.gz YKXUWFDWTYVDLF-UHFFFAOYSA-N -1 0 282.271 2.479 20 5 CEBDRM CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000874854337 649855646 /nfs/dbraw/zinc/85/56/46/649855646.db2.gz KYNIKMUWGOLFBI-UHFFFAOYSA-N -1 0 286.234 2.218 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1cccc([N+](=O)[O-])c1[O-] ZINC000230176889 270313401 /nfs/dbraw/zinc/31/34/01/270313401.db2.gz VZXRDFPALKNHAJ-VIFPVBQESA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)(CCNc1c2c(ccc1[N+](=O)[O-])NCC2)C(=O)[O-] ZINC000424368688 271050447 /nfs/dbraw/zinc/05/04/47/271050447.db2.gz ADXCMJFJLKOSNJ-UHFFFAOYSA-N -1 0 293.323 2.476 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000219463200 288221331 /nfs/dbraw/zinc/22/13/31/288221331.db2.gz GJUHAZQXLUXJTF-JTQLQIEISA-N -1 0 264.281 2.315 20 5 CEBDRM CC1(C)CCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280897085 280987484 /nfs/dbraw/zinc/98/74/84/280987484.db2.gz HFFNTZYNKOODSH-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286647810 281115432 /nfs/dbraw/zinc/11/54/32/281115432.db2.gz BORIMYKQWSNELW-JTQLQIEISA-N -1 0 264.281 2.219 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000436008460 281402063 /nfs/dbraw/zinc/40/20/63/281402063.db2.gz URMAIFUJZVCIIC-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM CN=c1[n-]nc(Sc2c(F)cccc2[N+](=O)[O-])s1 ZINC000341437121 290330819 /nfs/dbraw/zinc/33/08/19/290330819.db2.gz XVAVXVCXFYIOOX-UHFFFAOYSA-N -1 0 286.313 2.200 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182078839 297688003 /nfs/dbraw/zinc/68/80/03/297688003.db2.gz WPQMHHXPPNYSMN-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566009720 298938750 /nfs/dbraw/zinc/93/87/50/298938750.db2.gz IIKWJHOSGIUSQC-CABZTGNLSA-N -1 0 278.308 2.450 20 5 CEBDRM CC(C)O[C@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000566296710 298964257 /nfs/dbraw/zinc/96/42/57/298964257.db2.gz CDNAVOFWCMQWIO-DTORHVGOSA-N -1 0 295.295 2.056 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567355615 299056665 /nfs/dbraw/zinc/05/66/65/299056665.db2.gz ILMWCMBYKCUDJU-UWVGGRQHSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000191941261 299958211 /nfs/dbraw/zinc/95/82/11/299958211.db2.gz NTDNSBFCELRWNE-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000295686799 300812851 /nfs/dbraw/zinc/81/28/51/300812851.db2.gz YYNQSGKBJHXVTN-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC ZINC000565036045 313792017 /nfs/dbraw/zinc/79/20/17/313792017.db2.gz RNGBEWDQUNDKKC-SNVBAGLBSA-N -1 0 282.296 2.059 20 5 CEBDRM CC1C[C@H]2CC[C@@H](C1)N2c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570177831 314030214 /nfs/dbraw/zinc/03/02/14/314030214.db2.gz HBHCIZITSKECOR-PBINXNQUSA-N -1 0 291.307 2.455 20 5 CEBDRM Cc1cc(NCCC[C@H](C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577518282 314386929 /nfs/dbraw/zinc/38/69/29/314386929.db2.gz SRQZAXSQSHREPR-VIFPVBQESA-N -1 0 296.323 2.422 20 5 CEBDRM CC1(C2(NC(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)CC1 ZINC000578156530 314451521 /nfs/dbraw/zinc/45/15/21/314451521.db2.gz IAABFLYGPRSEEU-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1cccc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000580773843 322342819 /nfs/dbraw/zinc/34/28/19/322342819.db2.gz KSTMRTIRWOPLEK-MWLCHTKSSA-N -1 0 278.308 2.450 20 5 CEBDRM CN(CC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000583997450 326838337 /nfs/dbraw/zinc/83/83/37/326838337.db2.gz ICUUZQPWESEVGC-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM O=C(Nc1ccccc1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160091855 534398352 /nfs/dbraw/zinc/39/83/52/534398352.db2.gz WRRNGYGIBKTDHW-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164035976 528687013 /nfs/dbraw/zinc/68/70/13/528687013.db2.gz XWSTYVPXQLDZRQ-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000739928400 574432548 /nfs/dbraw/zinc/43/25/48/574432548.db2.gz XCSYNBJOCOXYNZ-SSDOTTSWSA-N -1 0 271.298 2.211 20 5 CEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000739624927 574497307 /nfs/dbraw/zinc/49/73/07/574497307.db2.gz NBVRGKGCMHKSTA-VLWUPBBWSA-N -1 0 292.291 2.284 20 5 CEBDRM CC(C)[C@@H](O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736390445 574785974 /nfs/dbraw/zinc/78/59/74/574785974.db2.gz PZVCSRFZMAHMSB-BPJJOFIESA-N -1 0 294.307 2.121 20 5 CEBDRM C[C@H](CC(=O)[O-])Sc1nc2ccccn2c1[N+](=O)[O-] ZINC000736555169 574792044 /nfs/dbraw/zinc/79/20/44/574792044.db2.gz BVMXBWXUNGLFEJ-SSDOTTSWSA-N -1 0 281.293 2.198 20 5 CEBDRM C[C@@H]1C[C@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736762498 574796087 /nfs/dbraw/zinc/79/60/87/574796087.db2.gz BGBDNBOBEWONJZ-SVGQVSJJSA-N -1 0 281.224 2.022 20 5 CEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000738399291 574861034 /nfs/dbraw/zinc/86/10/34/574861034.db2.gz JUPUPPSGDDWUJH-NKWVEPMBSA-N -1 0 299.666 2.183 20 5 CEBDRM O=C([O-])Cc1cccc(Nc2ncccc2[N+](=O)[O-])c1 ZINC000738630819 574871849 /nfs/dbraw/zinc/87/18/49/574871849.db2.gz SLZRKBAIKVMYMK-UHFFFAOYSA-N -1 0 273.248 2.361 20 5 CEBDRM O=C([O-])Nc1ccc(OC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000738669743 574873410 /nfs/dbraw/zinc/87/34/10/574873410.db2.gz OVLQVOKUYPZTMH-UHFFFAOYSA-N -1 0 291.219 2.232 20 5 CEBDRM CN(Cc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1)C(=O)[O-] ZINC000739715855 574932193 /nfs/dbraw/zinc/93/21/93/574932193.db2.gz HFMYTXSHPOSMKG-UHFFFAOYSA-N -1 0 282.281 2.156 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCCN(C(=O)[O-])C1 ZINC000740095414 574942060 /nfs/dbraw/zinc/94/20/60/574942060.db2.gz ATRJZTMXEDKNBX-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM O=C(OCc1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000745954079 575146078 /nfs/dbraw/zinc/14/60/78/575146078.db2.gz NNBVAYWLTIHPQN-UHFFFAOYSA-N -1 0 286.247 2.156 20 5 CEBDRM O=C([O-])C=Cc1ccc(NCc2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000746335473 575154921 /nfs/dbraw/zinc/15/49/21/575154921.db2.gz OYCAXNLZFNRWRG-RQOWECAXSA-N -1 0 288.263 2.028 20 5 CEBDRM C[C@H](C(=O)[O-])N(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000817785146 597126209 /nfs/dbraw/zinc/12/62/09/597126209.db2.gz RRBGOYUGRYXNGC-ZCFIWIBFSA-N -1 0 281.293 2.114 20 5 CEBDRM Cc1c(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000218139168 597196072 /nfs/dbraw/zinc/19/60/72/597196072.db2.gz TWNRYAPRWRNWOZ-LLVKDONJSA-N -1 0 295.295 2.134 20 5 CEBDRM O=C([O-])Cc1cccc(Oc2ncccc2[N+](=O)[O-])c1 ZINC000048806681 600011498 /nfs/dbraw/zinc/01/14/98/600011498.db2.gz RHWNLECUGRWLJC-UHFFFAOYSA-N -1 0 274.232 2.409 20 5 CEBDRM C[C@H](CSc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000235491484 600205684 /nfs/dbraw/zinc/20/56/84/600205684.db2.gz PJWANTBVGCYFJS-RXMQYKEDSA-N -1 0 276.701 2.456 20 5 CEBDRM C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000054334372 600432905 /nfs/dbraw/zinc/43/29/05/600432905.db2.gz SLUMYWSXVCHCRO-MRVPVSSYSA-N -1 0 275.264 2.276 20 5 CEBDRM CCc1cnc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000830295632 600803740 /nfs/dbraw/zinc/80/37/40/600803740.db2.gz WZSGXHHXVIDHOV-UHFFFAOYSA-N -1 0 292.247 2.422 20 5 CEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000833186381 600873265 /nfs/dbraw/zinc/87/32/65/600873265.db2.gz DYNSDNNSGINNBI-UWVGGRQHSA-N -1 0 293.275 2.391 20 5 CEBDRM CSCCCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832762947 601064102 /nfs/dbraw/zinc/06/41/02/601064102.db2.gz LIFOUDABGZLKRD-UHFFFAOYSA-N -1 0 299.304 2.203 20 5 CEBDRM CS/C=C\C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832747702 601342191 /nfs/dbraw/zinc/34/21/91/601342191.db2.gz IMTBJVRIOSLGNG-IHWYPQMZSA-N -1 0 282.277 2.108 20 5 CEBDRM O=C([O-])c1ccc(OCC[C@@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000833321816 601473390 /nfs/dbraw/zinc/47/33/90/601473390.db2.gz OBABPTZYRMIULQ-VIFPVBQESA-N -1 0 293.275 2.431 20 5 CEBDRM Cc1ccc(N2C[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000111253512 601562624 /nfs/dbraw/zinc/56/26/24/601562624.db2.gz MUJNDOSCWYHDJD-VHSXEESVSA-N -1 0 264.281 2.060 20 5 CEBDRM Cc1nc(C(=O)[O-])cn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000832996554 601639064 /nfs/dbraw/zinc/63/90/64/601639064.db2.gz WOKTUWLIOXXBFP-UHFFFAOYSA-N -1 0 295.682 2.500 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CC=CC1 ZINC000833306534 601864305 /nfs/dbraw/zinc/86/43/05/601864305.db2.gz ATWVOJJPZATLEC-UHFFFAOYSA-N -1 0 293.235 2.332 20 5 CEBDRM CCc1ccc(OC(=O)[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830253516 602193367 /nfs/dbraw/zinc/19/33/67/602193367.db2.gz CUNWWQFCPCQMGC-QMMMGPOBSA-N -1 0 281.264 2.173 20 5 CEBDRM Cc1cnc(N[C@H]2CCC[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634019 603208757 /nfs/dbraw/zinc/20/87/57/603208757.db2.gz HNQFIRAWVKWBBY-UWVGGRQHSA-N -1 0 294.311 2.146 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000829997387 603221795 /nfs/dbraw/zinc/22/17/95/603221795.db2.gz NMTPMDAOMBVGID-SECBINFHSA-N -1 0 295.295 2.196 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CNC(=O)[O-])C2)c1 ZINC000830426907 603550098 /nfs/dbraw/zinc/55/00/98/603550098.db2.gz CLSANOGIGIQWDM-NSHDSACASA-N -1 0 293.323 2.387 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000827901586 604220801 /nfs/dbraw/zinc/22/08/01/604220801.db2.gz XZELLRLSLAKUFA-VIFPVBQESA-N -1 0 299.714 2.437 20 5 CEBDRM CC(C)[C@H](CCN(C)c1ncccc1[N+](=O)[O-])NC(=O)[O-] ZINC000824105111 604223971 /nfs/dbraw/zinc/22/39/71/604223971.db2.gz NZWNBTRJZDDBRC-JTQLQIEISA-N -1 0 296.327 2.108 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000042161905 604467587 /nfs/dbraw/zinc/46/75/87/604467587.db2.gz QBJVRMMGWXPNLY-MRVPVSSYSA-N -1 0 268.244 2.177 20 5 CEBDRM Cc1nc(N(CCC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000833001364 604777111 /nfs/dbraw/zinc/77/71/11/604777111.db2.gz BBFJWXKJJDGXIM-UHFFFAOYSA-N -1 0 281.312 2.235 20 5 CEBDRM CC[C@@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)[O-] ZINC000833646144 605017719 /nfs/dbraw/zinc/01/77/19/605017719.db2.gz ONYHRAORLHQIEB-SNVBAGLBSA-N -1 0 292.247 2.096 20 5 CEBDRM C[C@H]1CCC[C@@H](Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)C1 ZINC000833607730 605074523 /nfs/dbraw/zinc/07/45/23/605074523.db2.gz INIIHOHUPHOZOQ-VHSXEESVSA-N -1 0 294.307 2.281 20 5 CEBDRM CC(C)C[C@@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000232597488 605180932 /nfs/dbraw/zinc/18/09/32/605180932.db2.gz BSOONFLJBBRKAH-SNVBAGLBSA-N -1 0 282.296 2.112 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCNC(=O)[O-])c1 ZINC000833907641 605401234 /nfs/dbraw/zinc/40/12/34/605401234.db2.gz OYFLVFHWJQMYKE-VIFPVBQESA-N -1 0 267.285 2.361 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000833814951 605494712 /nfs/dbraw/zinc/49/47/12/605494712.db2.gz DTYKXDQNWQAPRI-NXEZZACHSA-N -1 0 279.296 2.077 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000833819769 605496746 /nfs/dbraw/zinc/49/67/46/605496746.db2.gz VHXDEOZNNQDOKR-SFYZADRCSA-N -1 0 285.325 2.139 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(O)CCCC2)c1 ZINC000236463796 625940446 /nfs/dbraw/zinc/94/04/46/625940446.db2.gz DAWVRPIKNXLCQN-UHFFFAOYSA-N -1 0 280.280 2.010 20 5 CEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccoc2)ccc1F ZINC000795279120 629505796 /nfs/dbraw/zinc/50/57/96/629505796.db2.gz RHSHCHFWHBXSKZ-UHFFFAOYSA-N -1 0 286.240 2.128 20 5 CEBDRM CS[C@@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000797208907 630176177 /nfs/dbraw/zinc/17/61/77/630176177.db2.gz KRGXSZGSTHNRCX-BQBZGAKWSA-N -1 0 258.299 2.220 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000899419848 632842394 /nfs/dbraw/zinc/84/23/94/632842394.db2.gz YEDYINGYBSXTQQ-NUGNTBJXSA-N -1 0 290.319 2.322 20 5 CEBDRM CC[C@@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042308379 633382032 /nfs/dbraw/zinc/38/20/32/633382032.db2.gz GECQEPCCRGHPKC-NXEZZACHSA-N -1 0 294.307 2.297 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000834665458 637911571 /nfs/dbraw/zinc/91/15/71/637911571.db2.gz HPRGLRANJZXTJR-SCZZXKLOSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000834665457 637911840 /nfs/dbraw/zinc/91/18/40/637911840.db2.gz HPRGLRANJZXTJR-PSASIEDQSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(N2C[C@H](C)OC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910343859 638009549 /nfs/dbraw/zinc/00/95/49/638009549.db2.gz NYLJBZMFPYAETA-ZJUUUORDSA-N -1 0 294.307 2.215 20 5 CEBDRM CO[C@H]1CC[C@@H]1N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910388521 638034232 /nfs/dbraw/zinc/03/42/32/638034232.db2.gz IZXPGIUJRXDYMT-RYUDHWBXSA-N -1 0 294.307 2.215 20 5 CEBDRM CC(C)O[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000836131357 638544459 /nfs/dbraw/zinc/54/44/59/638544459.db2.gz ZFESNSKYPLCVQY-DTORHVGOSA-N -1 0 268.269 2.036 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CC[C@](C)(C(=O)[O-])C1 ZINC000841494434 639777435 /nfs/dbraw/zinc/77/74/35/639777435.db2.gz CEMQBZMIANDJGJ-AWEZNQCLSA-N -1 0 294.307 2.042 20 5 CEBDRM CCON(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000844075355 640593073 /nfs/dbraw/zinc/59/30/73/640593073.db2.gz KNBXYJBVMIVRPH-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM CO[C@H](C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211210 640632969 /nfs/dbraw/zinc/63/29/69/640632969.db2.gz UXJVQYGUOBUNSR-OTQAPUNGSA-N -1 0 280.280 2.139 20 5 CEBDRM C[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC(C)(C)C1=O ZINC000847933569 641839363 /nfs/dbraw/zinc/83/93/63/641839363.db2.gz VHPYSQYSGAPMSC-DTWKUNHWSA-N -1 0 294.307 2.474 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2C=CCC2)n1 ZINC000849348399 642339104 /nfs/dbraw/zinc/33/91/04/642339104.db2.gz MHVZCYUWCAVKAD-QMMMGPOBSA-N -1 0 263.253 2.127 20 5 CEBDRM COC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCCCC1 ZINC000754088928 644321872 /nfs/dbraw/zinc/32/18/72/644321872.db2.gz RAGNOSGBMWFWCN-UHFFFAOYSA-N -1 0 282.296 2.429 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C12CC(C1)C2 ZINC000860272719 645755284 /nfs/dbraw/zinc/75/52/84/645755284.db2.gz BACUANWGMIKHTN-UHFFFAOYSA-N -1 0 263.249 2.144 20 5 CEBDRM O=C(NOc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000774276924 646828738 /nfs/dbraw/zinc/82/87/38/646828738.db2.gz XHCLKDBYCHZWLC-UHFFFAOYSA-N -1 0 274.232 2.024 20 5 CEBDRM COCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)co1 ZINC000776306141 647047697 /nfs/dbraw/zinc/04/76/97/647047697.db2.gz JMIFFQSSHFWFIS-UHFFFAOYSA-N -1 0 295.226 2.121 20 5 CEBDRM COC(=O)[C@H](CC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000782665827 647649429 /nfs/dbraw/zinc/64/94/29/647649429.db2.gz VGBIZUXGHQOTJI-VIFPVBQESA-N -1 0 298.295 2.058 20 5 CEBDRM CC1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000785917746 647968881 /nfs/dbraw/zinc/96/88/81/647968881.db2.gz KAPDHKAQMTZJLW-MRVPVSSYSA-N -1 0 268.269 2.037 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(F)(F)CC1 ZINC000794291956 648849074 /nfs/dbraw/zinc/84/90/74/648849074.db2.gz HELQTFNHQFHPIW-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM Cc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)nc1C ZINC001210393048 802678986 /nfs/dbraw/zinc/67/89/86/802678986.db2.gz VCEWFSGUDSPQIM-UHFFFAOYSA-N -1 0 260.253 2.451 20 5 CEBDRM O=C([O-])c1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000721391457 804287645 /nfs/dbraw/zinc/28/76/45/804287645.db2.gz SHWDCKLFCGQJLN-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM O=[N+]([O-])c1cnc([N-][C@@H](c2ccccn2)C(F)(F)F)nc1 ZINC001168478425 807709538 /nfs/dbraw/zinc/70/95/38/807709538.db2.gz OUVVBJYVACUHHD-VIFPVBQESA-N -1 0 299.212 2.495 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1=COCC1 ZINC001137825309 809053021 /nfs/dbraw/zinc/05/30/21/809053021.db2.gz GDBMKHTXRVPTCR-UHFFFAOYSA-N -1 0 284.655 2.197 20 5 CEBDRM Cc1cc(O)c(O[C@H]2CCOC[C@H]2F)cc1[N+](=O)[O-] ZINC001229755128 809070300 /nfs/dbraw/zinc/07/03/00/809070300.db2.gz VXAQBOLPMQFFFM-KCJUWKMLSA-N -1 0 271.244 2.115 20 5 CEBDRM O=C([O-])c1ccc(OC[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000690408106 812307413 /nfs/dbraw/zinc/30/74/13/812307413.db2.gz FIQSHSFYFRRPKM-VIFPVBQESA-N -1 0 281.264 2.098 20 5 CEBDRM Cc1ccc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693513093 814623706 /nfs/dbraw/zinc/62/37/06/814623706.db2.gz BTGBYLNLPWDTML-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(N)c1 ZINC001174502620 816029355 /nfs/dbraw/zinc/02/93/55/816029355.db2.gz CUEKYXNQACDJBP-UHFFFAOYSA-N -1 0 288.263 2.322 20 5 CEBDRM Nc1ccc2ncn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2c1 ZINC001176677551 816454222 /nfs/dbraw/zinc/45/42/22/816454222.db2.gz YKPLWHFFTXFLRX-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CCC2 ZINC000601934704 346931229 /nfs/dbraw/zinc/93/12/29/346931229.db2.gz CSIFTLWOJNZYQM-SNVBAGLBSA-N -1 0 259.265 2.406 20 5 CEBDRM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601942233 346935412 /nfs/dbraw/zinc/93/54/12/346935412.db2.gz IVMMLJKLUCAFKW-ZCFIWIBFSA-N -1 0 251.217 2.093 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1F)CCSC2 ZINC000601943460 346935899 /nfs/dbraw/zinc/93/58/99/346935899.db2.gz QFIJKOBCALOINX-MRVPVSSYSA-N -1 0 295.295 2.190 20 5 CEBDRM C[C@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567978009 299103606 /nfs/dbraw/zinc/10/36/06/299103606.db2.gz TURAGJZOOQSYSK-TZMCWYRMSA-N -1 0 294.307 2.256 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CC=CCC2)n1 ZINC000166740156 344477029 /nfs/dbraw/zinc/47/70/29/344477029.db2.gz OCWCKZAGHLPKJM-VIFPVBQESA-N -1 0 277.280 2.456 20 5 CEBDRM C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000225799016 344547484 /nfs/dbraw/zinc/54/74/84/344547484.db2.gz PIGDKWCHFCJIFG-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000227504232 344553723 /nfs/dbraw/zinc/55/37/23/344553723.db2.gz JREUQIWBUVFFME-ZJUUUORDSA-N -1 0 264.281 2.203 20 5 CEBDRM C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000235451713 344591132 /nfs/dbraw/zinc/59/11/32/344591132.db2.gz JKPVEPARIDXWDT-RXMQYKEDSA-N -1 0 260.196 2.006 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]1C(F)(F)F ZINC000590377240 345131906 /nfs/dbraw/zinc/13/19/06/345131906.db2.gz ACKAZFKDFAPABW-VIFPVBQESA-N -1 0 290.197 2.077 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000097065396 185520340 /nfs/dbraw/zinc/52/03/40/185520340.db2.gz NSRRRNAYLCYHIY-APPZFPTMSA-N -1 0 268.244 2.399 20 5 CEBDRM CCN(CCSC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000592917636 345414211 /nfs/dbraw/zinc/41/42/11/345414211.db2.gz JUGFTMMVDFICEA-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM CCN(CCSC)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000592916522 345414368 /nfs/dbraw/zinc/41/43/68/345414368.db2.gz CVASWMZGYYYUGB-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970182 345417230 /nfs/dbraw/zinc/41/72/30/345417230.db2.gz RRMSGMLVXUWYQZ-QUBYGPBYSA-N -1 0 250.254 2.422 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1C(=O)[O-] ZINC000592980685 345418626 /nfs/dbraw/zinc/41/86/26/345418626.db2.gz WGQVRJUYKUDYGN-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000593836737 345544709 /nfs/dbraw/zinc/54/47/09/345544709.db2.gz VXCJLLKBLRCIBZ-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000593924323 345552945 /nfs/dbraw/zinc/55/29/45/345552945.db2.gz LNSXIQXLZCKABJ-UHFFFAOYSA-N -1 0 294.307 2.102 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000594541466 345645465 /nfs/dbraw/zinc/64/54/65/345645465.db2.gz VHUWPMGHUUPWGS-SNVBAGLBSA-N -1 0 281.312 2.375 20 5 CEBDRM O=C([O-])c1cnc(NCC2=CCCC2)c([N+](=O)[O-])c1 ZINC000595277473 345753154 /nfs/dbraw/zinc/75/31/54/345753154.db2.gz KVKBOYMEPDPCRK-UHFFFAOYSA-N -1 0 263.253 2.210 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1n[n-]c(=O)o1 ZINC000595548271 345808945 /nfs/dbraw/zinc/80/89/45/345808945.db2.gz VABMJVKDMMVHGM-VIFPVBQESA-N -1 0 292.295 2.185 20 5 CEBDRM Cc1ccnc(NC[C@H](C(=O)[O-])C2CCC2)c1[N+](=O)[O-] ZINC000595977127 345920188 /nfs/dbraw/zinc/92/01/88/345920188.db2.gz DZYAYSWGHXDQPT-JTQLQIEISA-N -1 0 279.296 2.211 20 5 CEBDRM CO[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000597492013 346193238 /nfs/dbraw/zinc/19/32/38/346193238.db2.gz ROSYCEVCGSPSPT-LBPRGKRZSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000599750328 346576726 /nfs/dbraw/zinc/57/67/26/346576726.db2.gz JLOOOONOLACNMN-YDEXJTGXSA-N -1 0 294.307 2.298 20 5 CEBDRM CCO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000600677764 346671980 /nfs/dbraw/zinc/67/19/80/346671980.db2.gz ASDHWAOCHUBQBR-YPMHNXCESA-N -1 0 280.280 2.272 20 5 CEBDRM Cc1c[nH]cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356318749 370656941 /nfs/dbraw/zinc/65/69/41/370656941.db2.gz HRRSVNJASJIOQT-UHFFFAOYSA-N -1 0 261.237 2.189 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC2CCC2)n1 ZINC000568515238 299141646 /nfs/dbraw/zinc/14/16/46/299141646.db2.gz JYDGDQHPTZZUIV-UHFFFAOYSA-N -1 0 279.296 2.233 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1nccs1 ZINC000609750079 347649907 /nfs/dbraw/zinc/64/99/07/347649907.db2.gz YABALXAVKDBLNV-OWOJBTEDSA-N -1 0 277.261 2.315 20 5 CEBDRM Cc1occc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610876081 347720328 /nfs/dbraw/zinc/72/03/28/347720328.db2.gz WQJXNGZECHSXDP-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1C1CC1 ZINC000611555930 347794212 /nfs/dbraw/zinc/79/42/12/347794212.db2.gz NAPACKLSEWEDCN-ZDUSSCGKSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1noc(C)c1N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000611567860 347795282 /nfs/dbraw/zinc/79/52/82/347795282.db2.gz ZYVQFNXXDIZMJM-UHFFFAOYSA-N -1 0 291.263 2.182 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612523437 347897917 /nfs/dbraw/zinc/89/79/17/347897917.db2.gz RQKXJBOIZXPCIW-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000612532248 347899101 /nfs/dbraw/zinc/89/91/01/347899101.db2.gz SZIZZFHNBXYYGI-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1F ZINC000614015501 348134067 /nfs/dbraw/zinc/13/40/67/348134067.db2.gz WIRKMLLROHUPLJ-KCJUWKMLSA-N -1 0 282.271 2.121 20 5 CEBDRM COC1CCC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000614925210 348255612 /nfs/dbraw/zinc/25/56/12/348255612.db2.gz WWJYPSCSXZZTSU-UHFFFAOYSA-N -1 0 294.307 2.444 20 5 CEBDRM CCN(CC(F)(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273334380 192117191 /nfs/dbraw/zinc/11/71/91/192117191.db2.gz TZGFUWYUNUEFCA-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM C[C@H](S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000618023638 348855930 /nfs/dbraw/zinc/85/59/30/348855930.db2.gz KLRUZGCCYRXFMG-YUMQZZPRSA-N -1 0 298.320 2.128 20 5 CEBDRM CCOc1cc(SCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111238540 186373832 /nfs/dbraw/zinc/37/38/32/186373832.db2.gz WNASRGFHWBVYBK-UHFFFAOYSA-N -1 0 257.267 2.170 20 5 CEBDRM Cc1cc(NC(=O)NCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000070200927 363055220 /nfs/dbraw/zinc/05/52/20/363055220.db2.gz MWKOYVGFMAJVPZ-UHFFFAOYSA-N -1 0 295.295 2.280 20 5 CEBDRM C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@]1(C)C(=O)[O-] ZINC000569935262 299228457 /nfs/dbraw/zinc/22/84/57/299228457.db2.gz LOMGMLVFQMDMHL-PELKAZGASA-N -1 0 284.337 2.199 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000272687583 191866167 /nfs/dbraw/zinc/86/61/67/191866167.db2.gz PPAWHAXVWRGUFU-AOOOYVTPSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C([O-])c1cnc(N2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000570519446 299261931 /nfs/dbraw/zinc/26/19/31/299261931.db2.gz FHQUTABWGDOVGA-SNVBAGLBSA-N -1 0 291.307 2.314 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC3(CC3)C2)n1 ZINC000578073637 366439782 /nfs/dbraw/zinc/43/97/82/366439782.db2.gz UWLWUZLCAGYCFD-UHFFFAOYSA-N -1 0 291.307 2.377 20 5 CEBDRM Cc1noc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000000017027 361116252 /nfs/dbraw/zinc/11/62/52/361116252.db2.gz HMZBPKJDXIHPEG-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157435391 366843711 /nfs/dbraw/zinc/84/37/11/366843711.db2.gz RGGBHSMNZXEBDY-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000112021922 364769432 /nfs/dbraw/zinc/76/94/32/364769432.db2.gz CCJDKRBIQXGVHS-ZCFIWIBFSA-N -1 0 262.187 2.334 20 5 CEBDRM Cc1cc(N2CCCO[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582362534 366899647 /nfs/dbraw/zinc/89/96/47/366899647.db2.gz LBSDGQRJQZERBA-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM COC[C@@H](C)N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572410341 299365733 /nfs/dbraw/zinc/36/57/33/299365733.db2.gz XIPVIWNHQKQQPK-SECBINFHSA-N -1 0 282.296 2.073 20 5 CEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000162435051 367160218 /nfs/dbraw/zinc/16/02/18/367160218.db2.gz YDKOGHFYQANLDS-OCAPTIKFSA-N -1 0 297.336 2.018 20 5 CEBDRM CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000165006737 367300956 /nfs/dbraw/zinc/30/09/56/367300956.db2.gz HPBANYUVRQBHDM-UHFFFAOYSA-N -1 0 294.307 2.216 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000166290934 367321300 /nfs/dbraw/zinc/32/13/00/367321300.db2.gz SMKUJYVBKCZMGV-DTWKUNHWSA-N -1 0 280.280 2.130 20 5 CEBDRM O=C(N[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000172372957 367728691 /nfs/dbraw/zinc/72/86/91/367728691.db2.gz XPDCXBXELIKFPW-JTQLQIEISA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182101457 368524573 /nfs/dbraw/zinc/52/45/73/368524573.db2.gz FJQPFBXJXBDUOR-DTORHVGOSA-N -1 0 264.281 2.313 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182031567 368516363 /nfs/dbraw/zinc/51/63/63/368516363.db2.gz DWGRJWSVYKKKNU-SNVBAGLBSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(Cc1cccc(O)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182911672 368600164 /nfs/dbraw/zinc/60/01/64/368600164.db2.gz NSNHXHOLIKPVSI-UHFFFAOYSA-N -1 0 288.259 2.187 20 5 CEBDRM Cc1csc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000185754578 368855216 /nfs/dbraw/zinc/85/52/16/368855216.db2.gz GGNNMPZACOIXCE-UHFFFAOYSA-N -1 0 293.304 2.342 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cocn3)no2)cc1[O-] ZINC000350883081 369582777 /nfs/dbraw/zinc/58/27/77/369582777.db2.gz YLSVEJOUUHHHGD-UHFFFAOYSA-N -1 0 274.192 2.005 20 5 CEBDRM Cc1ncccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000354521615 370397622 /nfs/dbraw/zinc/39/76/22/370397622.db2.gz PBRWJPVLTNBBQL-UHFFFAOYSA-N -1 0 287.275 2.185 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355333745 370552709 /nfs/dbraw/zinc/55/27/09/370552709.db2.gz HVTVTZSWWVDHAZ-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM CC(=O)c1ccc(NCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000261911081 371768651 /nfs/dbraw/zinc/76/86/51/371768651.db2.gz GVCAICKMDRMKFC-UHFFFAOYSA-N -1 0 266.253 2.074 20 5 CEBDRM O=C(NC12CCC(CC1)C2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000368325507 373232590 /nfs/dbraw/zinc/23/25/90/373232590.db2.gz AXDWUMNNSSKXEU-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CC(C)CO[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272260954 373393231 /nfs/dbraw/zinc/39/32/31/373393231.db2.gz BAQGRYRZORLANT-UHFFFAOYSA-N -1 0 288.250 2.390 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000272403045 373466461 /nfs/dbraw/zinc/46/64/61/373466461.db2.gz NGDYJLLJMPERIA-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM O=C(CCC1CC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000275106545 374155885 /nfs/dbraw/zinc/15/58/85/374155885.db2.gz KTQDIWSYOSNGBH-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM O=C([O-])[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000037418956 304184090 /nfs/dbraw/zinc/18/40/90/304184090.db2.gz VGTARHAQGVTVIV-QMMMGPOBSA-N -1 0 268.244 2.035 20 5 CEBDRM O=C([O-])c1ccnc(NCC2CCCC2)c1[N+](=O)[O-] ZINC000389084396 375298129 /nfs/dbraw/zinc/29/81/29/375298129.db2.gz BWNQGNXRACOOSP-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC(=O)[O-] ZINC000262803425 190062998 /nfs/dbraw/zinc/06/29/98/190062998.db2.gz RZOXWGXONIUBAS-UHFFFAOYSA-N -1 0 294.307 2.067 20 5 CEBDRM CC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000263532092 190069061 /nfs/dbraw/zinc/06/90/61/190069061.db2.gz MYSUKZOEOKAKLT-UHFFFAOYSA-N -1 0 292.291 2.213 20 5 CEBDRM CCC[C@H]1C[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262648529 190059629 /nfs/dbraw/zinc/05/96/29/190059629.db2.gz TWPGYOVZPSWWCZ-QPUJVOFHSA-N -1 0 292.291 2.211 20 5 CEBDRM C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564729878 377440933 /nfs/dbraw/zinc/44/09/33/377440933.db2.gz VHQJLHKTZVZDJQ-SCZZXKLOSA-N -1 0 282.271 2.281 20 5 CEBDRM CC[C@H]1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565035274 377537738 /nfs/dbraw/zinc/53/77/38/377537738.db2.gz IQIGJWUPNSZZCA-VIFPVBQESA-N -1 0 279.296 2.233 20 5 CEBDRM CC(C)OC(C)(C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450541895 378467208 /nfs/dbraw/zinc/46/72/08/378467208.db2.gz SDFUCJVPJKBWCJ-UHFFFAOYSA-N -1 0 282.296 2.443 20 5 CEBDRM Cc1cc(N2CCCC[C@@H]2CC(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026370 135075147 /nfs/dbraw/zinc/07/51/47/135075147.db2.gz IORFMSRRXFKFHG-SNVBAGLBSA-N -1 0 279.296 2.132 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000413993544 394673841 /nfs/dbraw/zinc/67/38/41/394673841.db2.gz VLVSMNVXUQLAQT-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000414001350 394675515 /nfs/dbraw/zinc/67/55/15/394675515.db2.gz PFJJSZADEBOCNY-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000153779670 395017291 /nfs/dbraw/zinc/01/72/91/395017291.db2.gz UVOSZSXTDGSUQN-VHSXEESVSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N(C)C[C@H](C)C(=O)[O-] ZINC000158619722 395050318 /nfs/dbraw/zinc/05/03/18/395050318.db2.gz HRXIOROXROPPGO-VIFPVBQESA-N -1 0 252.270 2.060 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1Cn1cnc2c1CCCC2 ZINC000331928092 296508300 /nfs/dbraw/zinc/50/83/00/296508300.db2.gz DANMNTVYCKDOJS-UHFFFAOYSA-N -1 0 273.292 2.424 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436969536 395168717 /nfs/dbraw/zinc/16/87/17/395168717.db2.gz ZJDYMEYDFRVTRG-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM Cc1cc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000398907930 395239533 /nfs/dbraw/zinc/23/95/33/395239533.db2.gz NKQMTTUMEWGEJH-MWLCHTKSSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(NC[C@@H](C)CCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568635280 395563823 /nfs/dbraw/zinc/56/38/23/395563823.db2.gz XDTWPYSYWSTZDB-VIFPVBQESA-N -1 0 296.323 2.422 20 5 CEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000181784284 400289632 /nfs/dbraw/zinc/28/96/32/400289632.db2.gz MLPSBDKJPZGZST-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM Cc1cc(Sc2n[nH]c(=O)[n-]2)c(F)cc1[N+](=O)[O-] ZINC000360049848 155203102 /nfs/dbraw/zinc/20/31/02/155203102.db2.gz HHQZZMMPLCZMDP-UHFFFAOYSA-N -1 0 270.245 2.017 20 5 CEBDRM O=C(Nc1ccc(F)cn1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315862 153297796 /nfs/dbraw/zinc/29/77/96/153297796.db2.gz CSPUHPXXACKPKI-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316574 153298437 /nfs/dbraw/zinc/29/84/37/153298437.db2.gz AMZNYEDNGUIQLN-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226259890 153330709 /nfs/dbraw/zinc/33/07/09/153330709.db2.gz FQXXSZMCLUXIFG-SECBINFHSA-N -1 0 264.281 2.076 20 5 CEBDRM COc1cc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263090234 154015659 /nfs/dbraw/zinc/01/56/59/154015659.db2.gz CCDGLTGGNYVXTE-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263299833 154052172 /nfs/dbraw/zinc/05/21/72/154052172.db2.gz UGZBJCRLZCWDKY-UFFNRZRYSA-N -1 0 292.291 2.052 20 5 CEBDRM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000035321789 172125097 /nfs/dbraw/zinc/12/50/97/172125097.db2.gz FUWXCWSKMDRQSV-UHFFFAOYSA-N -1 0 257.267 2.032 20 5 CEBDRM CC(C)C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000043441736 175045655 /nfs/dbraw/zinc/04/56/55/175045655.db2.gz FSUFCSHKVUOKTB-ZETCQYMHSA-N -1 0 298.324 2.215 20 5 CEBDRM O=C([O-])CCCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570356 175067855 /nfs/dbraw/zinc/06/78/55/175067855.db2.gz DLKRPSKOHLLXAN-UHFFFAOYSA-N -1 0 298.270 2.109 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000225816839 270309700 /nfs/dbraw/zinc/30/97/00/270309700.db2.gz SQYRNHZULREXTI-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436747142 271687237 /nfs/dbraw/zinc/68/72/37/271687237.db2.gz JYOPDTAUKAKCSJ-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183292821 280112662 /nfs/dbraw/zinc/11/26/62/280112662.db2.gz UYHRJVXMHOSDJB-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235373638 280221180 /nfs/dbraw/zinc/22/11/80/280221180.db2.gz SWVRDYIZXJZJDT-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)[C@H](Nc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000043441532 280336223 /nfs/dbraw/zinc/33/62/23/280336223.db2.gz GFPDEUNDRKRMAX-VIFPVBQESA-N -1 0 256.233 2.255 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1NCCc1nc(=N)[n-]o1 ZINC000444824916 281650353 /nfs/dbraw/zinc/65/03/53/281650353.db2.gz IREZCFIICYPYLX-UHFFFAOYSA-N -1 0 297.702 2.007 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000457347732 289763183 /nfs/dbraw/zinc/76/31/83/289763183.db2.gz XCRGGPFREULVBN-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000166291064 297464754 /nfs/dbraw/zinc/46/47/54/297464754.db2.gz SMKUJYVBKCZMGV-RKDXNWHRSA-N -1 0 280.280 2.130 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)S1 ZINC000539938387 298260066 /nfs/dbraw/zinc/26/00/66/298260066.db2.gz ZAEYNMRLIQBVKB-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567355616 299056568 /nfs/dbraw/zinc/05/65/68/299056568.db2.gz ILMWCMBYKCUDJU-VHSXEESVSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000416325069 300670394 /nfs/dbraw/zinc/67/03/94/300670394.db2.gz RZVTVEBSGQVTSG-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000548462647 313564190 /nfs/dbraw/zinc/56/41/90/313564190.db2.gz WFKASZYOZBGSTO-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C3CC3)C2)n1 ZINC000563205106 313721863 /nfs/dbraw/zinc/72/18/63/313721863.db2.gz JZMBZNBFLWDVJS-SNVBAGLBSA-N -1 0 291.307 2.233 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000568397839 313951211 /nfs/dbraw/zinc/95/12/11/313951211.db2.gz CVAQTKNYHALQKF-RQJHMYQMSA-N -1 0 284.699 2.434 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000568636969 313964151 /nfs/dbraw/zinc/96/41/51/313964151.db2.gz GATSMLLLEZZZQD-CZMCAQCFSA-N -1 0 280.280 2.008 20 5 CEBDRM CO[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000569697031 314011124 /nfs/dbraw/zinc/01/11/24/314011124.db2.gz GEWPLNVCCPMFPJ-LLVKDONJSA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H]1CC(C)(C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570048073 314026439 /nfs/dbraw/zinc/02/64/39/314026439.db2.gz GKXNWJGWMVEJBF-QMMMGPOBSA-N -1 0 279.296 2.313 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000577182514 314349856 /nfs/dbraw/zinc/34/98/56/314349856.db2.gz NFLWSIYPVGVAEU-IUCAKERBSA-N -1 0 293.323 2.479 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000579012006 314540845 /nfs/dbraw/zinc/54/08/45/314540845.db2.gz XMHNZSJCJXKXBR-DTWKUNHWSA-N -1 0 282.271 2.311 20 5 CEBDRM CO[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000381192477 321833265 /nfs/dbraw/zinc/83/32/65/321833265.db2.gz JALGPGSCOYTGQN-LBPRGKRZSA-N -1 0 280.280 2.130 20 5 CEBDRM CO[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000382039280 321838085 /nfs/dbraw/zinc/83/80/85/321838085.db2.gz UVJOBNAHQYCNAZ-LBPRGKRZSA-N -1 0 282.296 2.376 20 5 CEBDRM C[C@@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC000383762353 321849617 /nfs/dbraw/zinc/84/96/17/321849617.db2.gz ZUDAAOXOIVQJGM-RKDXNWHRSA-N -1 0 279.296 2.313 20 5 CEBDRM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000581827589 322425165 /nfs/dbraw/zinc/42/51/65/322425165.db2.gz WGWZKFQNZZMZTD-NOZJJQNGSA-N -1 0 294.307 2.154 20 5 CEBDRM CS[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000394866190 329158465 /nfs/dbraw/zinc/15/84/65/329158465.db2.gz CXOMEDXPGYDEHI-VIFPVBQESA-N -1 0 282.321 2.235 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCOC(F)F)c1 ZINC000398216759 329440007 /nfs/dbraw/zinc/44/00/07/329440007.db2.gz LWQKLAUUAQAVPX-UHFFFAOYSA-N -1 0 290.222 2.334 20 5 CEBDRM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2cnccc21)C(=O)[O-] ZINC000042704036 533751160 /nfs/dbraw/zinc/75/11/60/533751160.db2.gz XBLOXKCZTMINNH-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)[O-])CC1 ZINC000157201691 524906541 /nfs/dbraw/zinc/90/65/41/524906541.db2.gz VTLVLNKBSCWLHI-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@H](Sc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(=O)[O-] ZINC000736711638 574795037 /nfs/dbraw/zinc/79/50/37/574795037.db2.gz DNLJSALRQSZOOH-LURJTMIESA-N -1 0 296.304 2.045 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCC2CCCC2)c1 ZINC000740089280 574941700 /nfs/dbraw/zinc/94/17/00/574941700.db2.gz CRRYLJKJWJUGLZ-UHFFFAOYSA-N -1 0 280.280 2.035 20 5 CEBDRM O=C([O-])N1CC[C@H](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000740499461 574956675 /nfs/dbraw/zinc/95/66/75/574956675.db2.gz ZXOBRBOTAMRKPA-QMMMGPOBSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C([O-])CCCCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000746340806 575154944 /nfs/dbraw/zinc/15/49/44/575154944.db2.gz SPSRQCVTXIZCPW-UHFFFAOYSA-N -1 0 292.295 2.299 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000041031388 597031928 /nfs/dbraw/zinc/03/19/28/597031928.db2.gz WXRBUWGPBAFFBC-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C([O-])[C@H]1CC12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000405457930 600283607 /nfs/dbraw/zinc/28/36/07/600283607.db2.gz ZGFRSHHSXUMXQQ-GFCCVEGCSA-N -1 0 276.292 2.286 20 5 CEBDRM CCC(CC)(NC(=O)c1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000094240333 600926271 /nfs/dbraw/zinc/92/62/71/600926271.db2.gz IMOWNTVOUWXNMP-UHFFFAOYSA-N -1 0 286.309 2.030 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000828634635 601133475 /nfs/dbraw/zinc/13/34/75/601133475.db2.gz VBGLWTHHWGQXSG-CYBMUJFWSA-N -1 0 298.270 2.107 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](F)(C(=O)[O-])C1 ZINC000827949731 601442535 /nfs/dbraw/zinc/44/25/35/601442535.db2.gz OETKTHWAZNMUAH-NOZJJQNGSA-N -1 0 282.271 2.154 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC000094290411 601452483 /nfs/dbraw/zinc/45/24/83/601452483.db2.gz OEXWZQNKNBILCN-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCNC(=O)[O-] ZINC000832957798 601632907 /nfs/dbraw/zinc/63/29/07/601632907.db2.gz MFOCWOJOBNTNHD-UHFFFAOYSA-N -1 0 295.295 2.198 20 5 CEBDRM C/C(=C\COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000825774387 601680857 /nfs/dbraw/zinc/68/08/57/601680857.db2.gz DCWOLGDLGFSHIL-XVNBXDOJSA-N -1 0 297.238 2.230 20 5 CEBDRM Cc1nc(SC[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000123608502 602129244 /nfs/dbraw/zinc/12/92/44/602129244.db2.gz VNKJTXNIMFECGM-ZCFIWIBFSA-N -1 0 256.283 2.111 20 5 CEBDRM CC(C)(CNc1ncc([N+](=O)[O-])cc1Cl)NC(=O)[O-] ZINC000824011581 603519445 /nfs/dbraw/zinc/51/94/45/603519445.db2.gz UVDYLKONNZQPCD-UHFFFAOYSA-N -1 0 288.691 2.101 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000830427626 603552540 /nfs/dbraw/zinc/55/25/40/603552540.db2.gz LHAZFYULALRTON-SECBINFHSA-N -1 0 265.269 2.067 20 5 CEBDRM CCN(CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000827009956 604154452 /nfs/dbraw/zinc/15/44/52/604154452.db2.gz VTAFULIKHOYAIX-UHFFFAOYSA-N -1 0 295.295 2.150 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830531077 604226098 /nfs/dbraw/zinc/22/60/98/604226098.db2.gz BYPWMNHSJQQSIZ-SNVBAGLBSA-N -1 0 279.296 2.092 20 5 CEBDRM O=C([O-])c1cc(NC(=O)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000833117749 604281592 /nfs/dbraw/zinc/28/15/92/604281592.db2.gz AQDXEDSKEWUBOI-UHFFFAOYSA-N -1 0 290.231 2.067 20 5 CEBDRM O=C([O-])N1CCC(CSc2ccc([N+](=O)[O-])cn2)CC1 ZINC000831889458 605480957 /nfs/dbraw/zinc/48/09/57/605480957.db2.gz YRVKIMHZCMHYGH-UHFFFAOYSA-N -1 0 297.336 2.472 20 5 CEBDRM O=C(OCCc1cccs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000743478523 624775988 /nfs/dbraw/zinc/77/59/88/624775988.db2.gz AHTUCTMHOVTGJZ-UHFFFAOYSA-N -1 0 266.278 2.384 20 5 CEBDRM C[C@@H]1CC[C@H](C)N(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000312278450 628209213 /nfs/dbraw/zinc/20/92/13/628209213.db2.gz JLSVBFRARYJBKO-BDAKNGLRSA-N -1 0 279.296 2.313 20 5 CEBDRM O=C(NOCc1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000798157300 630822644 /nfs/dbraw/zinc/82/26/44/630822644.db2.gz FIOXEWHEGBNTQT-UHFFFAOYSA-N -1 0 288.259 2.162 20 5 CEBDRM Cc1[nH]nc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1Cl ZINC000807434010 631841250 /nfs/dbraw/zinc/84/12/50/631841250.db2.gz SYQIGSBIICCENI-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000899405914 632835644 /nfs/dbraw/zinc/83/56/44/632835644.db2.gz QXNLFVDEYWYLLE-PGOKHVGTSA-N -1 0 290.319 2.322 20 5 CEBDRM O=C(NC1(C2CC2)CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000899823836 633024973 /nfs/dbraw/zinc/02/49/73/633024973.db2.gz MCDLVOIRKBCGOW-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(OCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000835491680 638278176 /nfs/dbraw/zinc/27/81/76/638278176.db2.gz DXKXLBLBMJFGTI-UHFFFAOYSA-N -1 0 260.196 2.125 20 5 CEBDRM CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C12CCC2 ZINC000835884453 638443734 /nfs/dbraw/zinc/44/37/34/638443734.db2.gz OKBNBMGIDJZYRX-NXEZZACHSA-N -1 0 280.280 2.037 20 5 CEBDRM CCOCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837429176 639225334 /nfs/dbraw/zinc/22/53/34/639225334.db2.gz AGLRGBDOLLVZPE-UHFFFAOYSA-N -1 0 283.280 2.160 20 5 CEBDRM C/C=C(/C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837564418 639284865 /nfs/dbraw/zinc/28/48/65/639284865.db2.gz NABIFRMWZUXTGP-BAQGIRSFSA-N -1 0 251.238 2.310 20 5 CEBDRM CC[C@@H]1CC[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837574513 639288650 /nfs/dbraw/zinc/28/86/50/639288650.db2.gz QPHBXDOHOWNLNV-YPMHNXCESA-N -1 0 295.291 2.301 20 5 CEBDRM CCOCC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000837705002 639350556 /nfs/dbraw/zinc/35/05/56/639350556.db2.gz TUKPDQWLUCHFTA-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM Cc1cc(N(C)CCC(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841505799 639779479 /nfs/dbraw/zinc/77/94/79/639779479.db2.gz GEWUHDVZGVYGKH-UHFFFAOYSA-N -1 0 272.688 2.468 20 5 CEBDRM O=C([O-])CCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000843302145 640380826 /nfs/dbraw/zinc/38/08/26/640380826.db2.gz GMNKWENRXREDSN-UHFFFAOYSA-N -1 0 261.180 2.117 20 5 CEBDRM C[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000844212909 640633787 /nfs/dbraw/zinc/63/37/87/640633787.db2.gz PPCHNKPBUFHPLH-NXEZZACHSA-N -1 0 278.308 2.457 20 5 CEBDRM COc1ccccc1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000916852576 640826730 /nfs/dbraw/zinc/82/67/30/640826730.db2.gz GFNNEBZEXWOUMB-UHFFFAOYSA-N -1 0 262.221 2.151 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](F)C1 ZINC000846119411 641192738 /nfs/dbraw/zinc/19/27/38/641192738.db2.gz DWYJNHYKCGECDV-SNVBAGLBSA-N -1 0 254.261 2.234 20 5 CEBDRM CC[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000233885422 641344377 /nfs/dbraw/zinc/34/43/77/641344377.db2.gz CLZRIEIIPGXHFA-LURJTMIESA-N -1 0 274.223 2.396 20 5 CEBDRM CC(C)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000848637576 642082986 /nfs/dbraw/zinc/08/29/86/642082986.db2.gz JPYQHVHFHWFPCD-VIFPVBQESA-N -1 0 292.295 2.011 20 5 CEBDRM Nc1ccc(NC[C@@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000849348066 642339695 /nfs/dbraw/zinc/33/96/95/642339695.db2.gz GPFWZEFPKVUUMZ-SECBINFHSA-N -1 0 279.296 2.090 20 5 CEBDRM C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1(F)F ZINC000851262287 642962929 /nfs/dbraw/zinc/96/29/29/642962929.db2.gz LJHLMJUYVKREEJ-VIFPVBQESA-N -1 0 260.196 2.125 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000227573551 643359841 /nfs/dbraw/zinc/35/98/41/643359841.db2.gz XDTWRRODNJDXEB-KOLCDFICSA-N -1 0 264.281 2.203 20 5 CEBDRM Nc1ccc(N2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000852910275 643596215 /nfs/dbraw/zinc/59/62/15/643596215.db2.gz QYRYFZXGLHJQAG-JTQLQIEISA-N -1 0 293.323 2.258 20 5 CEBDRM O=C(OCc1cc(C2CC2)no1)c1ccc([N+](=O)[O-])[n-]1 ZINC000860977346 645968038 /nfs/dbraw/zinc/96/80/38/645968038.db2.gz NFYRUWFQYNFAIX-UHFFFAOYSA-N -1 0 277.236 2.145 20 5 CEBDRM CC(C)[C@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000774846800 646901858 /nfs/dbraw/zinc/90/18/58/646901858.db2.gz DZDDAFZALXECSF-DTWKUNHWSA-N -1 0 252.270 2.372 20 5 CEBDRM CCO[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000873602518 649708075 /nfs/dbraw/zinc/70/80/75/649708075.db2.gz ZUCINCLFDVNGHY-UWVGGRQHSA-N -1 0 282.296 2.427 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000704786573 809752410 /nfs/dbraw/zinc/75/24/10/809752410.db2.gz OQZOPRJKMONZHW-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@H](CF)C1 ZINC000711466909 810074393 /nfs/dbraw/zinc/07/43/93/810074393.db2.gz CTDDBNNOEWNTIL-SECBINFHSA-N -1 0 282.271 2.122 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](CF)C2)c1 ZINC000711425006 810070196 /nfs/dbraw/zinc/07/01/96/810070196.db2.gz USZZHFFGWRAKCV-QMMMGPOBSA-N -1 0 268.244 2.089 20 5 CEBDRM O=C(NC[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000822101176 810577339 /nfs/dbraw/zinc/57/73/39/810577339.db2.gz GMZHKPWYQZJKMS-YGRLFVJLSA-N -1 0 276.292 2.220 20 5 CEBDRM C[C@@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1cnccn1 ZINC001169537904 811558996 /nfs/dbraw/zinc/55/89/96/811558996.db2.gz NPXHUFVVKRFYNL-MRVPVSSYSA-N -1 0 288.263 2.256 20 5 CEBDRM CSC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316526 813328045 /nfs/dbraw/zinc/32/80/45/813328045.db2.gz FOTBDWSRSMTZQY-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1ncncc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674632 816453928 /nfs/dbraw/zinc/45/39/28/816453928.db2.gz NKSHPPDSTNRBBS-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM C[C@H](F)CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000338754530 214755272 /nfs/dbraw/zinc/75/52/72/214755272.db2.gz MBCLSCBTRATKQA-QMMMGPOBSA-N -1 0 280.259 2.227 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000042161951 362063567 /nfs/dbraw/zinc/06/35/67/362063567.db2.gz LMHOYQIYDIJZJP-VIFPVBQESA-N -1 0 250.254 2.038 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000044619571 343475442 /nfs/dbraw/zinc/47/54/42/343475442.db2.gz HLFKJRGNAGTBCS-SNVBAGLBSA-N -1 0 252.270 2.203 20 5 CEBDRM CC[C@@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000567976156 299103347 /nfs/dbraw/zinc/10/33/47/299103347.db2.gz IBMCOAWWZAFSGS-RKDXNWHRSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000133560204 344369662 /nfs/dbraw/zinc/36/96/62/344369662.db2.gz KTVHUEJGAUPYMR-JGVFFNPUSA-N -1 0 250.254 2.361 20 5 CEBDRM COc1cccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134887727 344378528 /nfs/dbraw/zinc/37/85/28/344378528.db2.gz UDJNDEJUDDFMJY-BDAKNGLRSA-N -1 0 280.280 2.269 20 5 CEBDRM COc1cccc(NCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000134885961 344378808 /nfs/dbraw/zinc/37/88/08/344378808.db2.gz NGTNWLJZCLSDKE-UHFFFAOYSA-N -1 0 268.269 2.270 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148370386 344413694 /nfs/dbraw/zinc/41/36/94/344413694.db2.gz JUSLFMUEZXMFSA-QMMMGPOBSA-N -1 0 299.714 2.334 20 5 CEBDRM Cc1cccc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c1[N+](=O)[O-] ZINC000235608204 344591686 /nfs/dbraw/zinc/59/16/86/344591686.db2.gz CYIVOECTSGZREI-UWVGGRQHSA-N -1 0 264.281 2.203 20 5 CEBDRM CCC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000311929397 344736432 /nfs/dbraw/zinc/73/64/32/344736432.db2.gz VSUWHFCCKWIKKU-QMMMGPOBSA-N -1 0 290.316 2.201 20 5 CEBDRM O=C([O-])C1(CNc2c(Cl)cncc2[N+](=O)[O-])CCC1 ZINC000302532632 344703981 /nfs/dbraw/zinc/70/39/81/344703981.db2.gz GUJHSWPKYXQZNP-UHFFFAOYSA-N -1 0 285.687 2.310 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000323867175 344753470 /nfs/dbraw/zinc/75/34/70/344753470.db2.gz HQAWHNHKDBDSON-GFCCVEGCSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCC(F)(F)C1 ZINC000404738551 344882039 /nfs/dbraw/zinc/88/20/39/344882039.db2.gz NMQKSUBMCOWNRW-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000591561600 345264565 /nfs/dbraw/zinc/26/45/65/345264565.db2.gz RIHJBBHKJMNURG-SFYZADRCSA-N -1 0 270.310 2.203 20 5 CEBDRM Cc1cc(NC2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969272 345417211 /nfs/dbraw/zinc/41/72/11/345417211.db2.gz PAZOTKMOKRGDMW-UHFFFAOYSA-N -1 0 280.280 2.192 20 5 CEBDRM CCOC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592979398 345417921 /nfs/dbraw/zinc/41/79/21/345417921.db2.gz KSARVZWZROZSQV-UHFFFAOYSA-N -1 0 296.323 2.449 20 5 CEBDRM O=C([O-])[C@H]1CC12CCN(c1sccc1[N+](=O)[O-])CC2 ZINC000592980935 345418437 /nfs/dbraw/zinc/41/84/37/345418437.db2.gz QLCMUXNSICJQLA-MRVPVSSYSA-N -1 0 282.321 2.347 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000595969488 345919045 /nfs/dbraw/zinc/91/90/45/345919045.db2.gz QOYDYNIDBALJCI-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM CN(C[C@H]1CC1(C)C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000596026925 345924948 /nfs/dbraw/zinc/92/49/48/345924948.db2.gz SCHIEAYHVSFDHJ-SECBINFHSA-N -1 0 279.296 2.170 20 5 CEBDRM CC[C@@H](C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597978243 346262420 /nfs/dbraw/zinc/26/24/20/346262420.db2.gz OFLGLSHPPVUKBY-SECBINFHSA-N -1 0 266.297 2.466 20 5 CEBDRM CCSC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000598330821 346328423 /nfs/dbraw/zinc/32/84/23/346328423.db2.gz UFTBUNPZALEMQI-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1(F)F ZINC000598218203 346308933 /nfs/dbraw/zinc/30/89/33/346308933.db2.gz JYVLIDKQTSVZNH-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598385478 346343797 /nfs/dbraw/zinc/34/37/97/346343797.db2.gz JNFIKJMFAXLBNX-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598549424 346373028 /nfs/dbraw/zinc/37/30/28/346373028.db2.gz AAOVETNNEYWAMU-VIFPVBQESA-N -1 0 278.308 2.419 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598516294 346369640 /nfs/dbraw/zinc/36/96/40/346369640.db2.gz RMHLZOOVNWTQNV-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM N=c1[n-]nc(SCc2ccc([N+](=O)[O-])cc2F)s1 ZINC000336790147 365810829 /nfs/dbraw/zinc/81/08/29/365810829.db2.gz KTCALIYMIJHCBP-UHFFFAOYSA-N -1 0 286.313 2.290 20 5 CEBDRM O=C([O-])c1ccnc(NCC2CC=CC2)c1[N+](=O)[O-] ZINC000600678686 346672055 /nfs/dbraw/zinc/67/20/55/346672055.db2.gz RUXFXRVVSQQGIV-UHFFFAOYSA-N -1 0 263.253 2.066 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(C1)CC(F)(F)C2 ZINC000611214697 347752397 /nfs/dbraw/zinc/75/23/97/347752397.db2.gz QZEWZPAHPCOLMR-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM CC(C)c1n[n-]c(=NCCc2ccccc2[N+](=O)[O-])o1 ZINC000450358122 282570858 /nfs/dbraw/zinc/57/08/58/282570858.db2.gz QDPOOGHGUOEAOI-UHFFFAOYSA-N -1 0 276.296 2.178 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000612532247 347899388 /nfs/dbraw/zinc/89/93/88/347899388.db2.gz SZIZZFHNBXYYGI-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1F ZINC000614015504 348134168 /nfs/dbraw/zinc/13/41/68/348134168.db2.gz WIRKMLLROHUPLJ-LDYMZIIASA-N -1 0 282.271 2.121 20 5 CEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cnoc1 ZINC000619283684 349150092 /nfs/dbraw/zinc/15/00/92/349150092.db2.gz WIOMNYPEVDTUSI-UHFFFAOYSA-N -1 0 277.236 2.234 20 5 CEBDRM CCC[C@@H](OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450536756 282651497 /nfs/dbraw/zinc/65/14/97/282651497.db2.gz BBNIOASCGFACAE-LLVKDONJSA-N -1 0 268.269 2.054 20 5 CEBDRM CC[C@H](C)CO[N-]C(=O)COc1ccccc1[N+](=O)[O-] ZINC000292067625 198150447 /nfs/dbraw/zinc/15/04/47/198150447.db2.gz HZDVKLXHTXTUNR-JTQLQIEISA-N -1 0 282.296 2.068 20 5 CEBDRM CC[C@H](C)CO[N-]C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000292206400 198202075 /nfs/dbraw/zinc/20/20/75/198202075.db2.gz OBNKKEMPPZGWPU-JTQLQIEISA-N -1 0 282.296 2.068 20 5 CEBDRM CC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000155335741 188200021 /nfs/dbraw/zinc/20/00/21/188200021.db2.gz ZDCAWZOJKKVSJQ-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM CSC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000157714845 188334716 /nfs/dbraw/zinc/33/47/16/188334716.db2.gz DSODERGXNICMGN-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280921875 303830195 /nfs/dbraw/zinc/83/01/95/303830195.db2.gz JOSVFAYFSKBHLU-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM CC(C)OCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273679627 192258681 /nfs/dbraw/zinc/25/86/81/192258681.db2.gz YTDDHMCFNSNOQO-UHFFFAOYSA-N -1 0 288.687 2.317 20 5 CEBDRM O=C([O-])CCCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000570226645 299246984 /nfs/dbraw/zinc/24/69/84/299246984.db2.gz SOBGCMIYWNOJKR-UHFFFAOYSA-N -1 0 294.307 2.044 20 5 CEBDRM CCOc1cccc(N2CC[C@@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134885688 366368720 /nfs/dbraw/zinc/36/87/20/366368720.db2.gz BYCRIJOKBSSYPF-CQSZACIVSA-N -1 0 294.307 2.295 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OC ZINC000452407896 283276253 /nfs/dbraw/zinc/27/62/53/283276253.db2.gz HVESHKBOIAFGIB-TVQRCGJNSA-N -1 0 296.323 2.091 20 5 CEBDRM CCC[C@](C)(NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137090417 366535018 /nfs/dbraw/zinc/53/50/18/366535018.db2.gz ANNOFPXOWMJEHO-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000180105598 189236967 /nfs/dbraw/zinc/23/69/67/189236967.db2.gz MYPJFMZMASQIRN-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])[C@@H](Cc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000019754073 361549853 /nfs/dbraw/zinc/54/98/53/361549853.db2.gz RERMUUTZXMGBGW-LLVKDONJSA-N -1 0 287.275 2.098 20 5 CEBDRM O=C(Cc1ccc(O)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540779 363977998 /nfs/dbraw/zinc/97/79/98/363977998.db2.gz BNHHYCTWEXUTTL-UHFFFAOYSA-N -1 0 288.259 2.187 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(C2CC2)[nH]n1 ZINC000092547194 364081257 /nfs/dbraw/zinc/08/12/57/364081257.db2.gz PDDMATZSGOCGBY-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356412433 370699917 /nfs/dbraw/zinc/69/99/17/370699917.db2.gz CXESAZVWKFHPBI-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM CC[C@@H](Sc1ncc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000097824182 364521007 /nfs/dbraw/zinc/52/10/07/364521007.db2.gz LSTWBFCFVNTNDD-MRVPVSSYSA-N -1 0 256.283 2.254 20 5 CEBDRM COc1cc(N2CCC[C@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111044978 364724537 /nfs/dbraw/zinc/72/45/37/364724537.db2.gz SMAJLZZEYGHTAC-SNVBAGLBSA-N -1 0 294.307 2.295 20 5 CEBDRM Cc1cc(N[C@H]2CC[C@@H](CO)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582789189 366959482 /nfs/dbraw/zinc/95/94/82/366959482.db2.gz VFIBTIUPOTUTHH-ZJUUUORDSA-N -1 0 294.307 2.174 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000182063639 368521176 /nfs/dbraw/zinc/52/11/76/368521176.db2.gz ATWQKZBBYNQBJQ-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(COc1ccccc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183913425 368657953 /nfs/dbraw/zinc/65/79/53/368657953.db2.gz JIUJGQBHNCCYTO-UHFFFAOYSA-N -1 0 288.259 2.318 20 5 CEBDRM CCCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[nH]1 ZINC000185790578 368861786 /nfs/dbraw/zinc/86/17/86/368861786.db2.gz NEAVUTODGDUYSP-UHFFFAOYSA-N -1 0 290.279 2.228 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1C1CC1 ZINC000361283873 371759482 /nfs/dbraw/zinc/75/94/82/371759482.db2.gz KSERSAUTWCUAKW-LLVKDONJSA-N -1 0 276.292 2.315 20 5 CEBDRM CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274635115 373995119 /nfs/dbraw/zinc/99/51/19/373995119.db2.gz DBXFXRYPUPKXJT-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277827107 374658903 /nfs/dbraw/zinc/65/89/03/374658903.db2.gz XDRJOBLCXGOWNU-MFKMUULPSA-N -1 0 294.307 2.300 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H]1C1CC1 ZINC000376897522 374753655 /nfs/dbraw/zinc/75/36/55/374753655.db2.gz RPBDSMOHAHNCHQ-NSHDSACASA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C)S1 ZINC000380531822 375164775 /nfs/dbraw/zinc/16/47/75/375164775.db2.gz UEDDKWUFKGPGBA-YUMQZZPRSA-N -1 0 297.336 2.018 20 5 CEBDRM C[C@H](CCCO)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000384531650 375212128 /nfs/dbraw/zinc/21/21/28/375212128.db2.gz ZNFDHZWDXOEJTH-SECBINFHSA-N -1 0 282.296 2.114 20 5 CEBDRM Cc1cc(N2CC[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573970992 299465917 /nfs/dbraw/zinc/46/59/17/299465917.db2.gz PMWOLTDFTZPQNZ-MRVPVSSYSA-N -1 0 264.281 2.448 20 5 CEBDRM CCSCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000282367740 375467529 /nfs/dbraw/zinc/46/75/29/375467529.db2.gz XWVPVDMSBGUWKT-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000062133051 304192435 /nfs/dbraw/zinc/19/24/35/304192435.db2.gz VCPJXIGVOLHDBN-VIFPVBQESA-N -1 0 287.275 2.054 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccn1 ZINC000186026462 249336771 /nfs/dbraw/zinc/33/67/71/249336771.db2.gz HYUWINLGJDXNJY-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(C)n1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000314644242 249404049 /nfs/dbraw/zinc/40/40/49/249404049.db2.gz SCEUOYDLVRIAQQ-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CO[C@H](C)CN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000565366318 377651382 /nfs/dbraw/zinc/65/13/82/377651382.db2.gz BCDRZAWFELUQHO-SECBINFHSA-N -1 0 282.296 2.073 20 5 CEBDRM CC[C@H](C)CONC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000293800542 377763899 /nfs/dbraw/zinc/76/38/99/377763899.db2.gz SVLLZUWIJSVLCP-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM O=[N+]([O-])c1ccc(CN=c2[n-]c(C3CCC3)no2)cc1 ZINC000450266165 378334956 /nfs/dbraw/zinc/33/49/56/378334956.db2.gz OEJFCOSBNMZERC-UHFFFAOYSA-N -1 0 274.280 2.279 20 5 CEBDRM C[C@H]1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000334071270 380231465 /nfs/dbraw/zinc/23/14/65/380231465.db2.gz ZYBLQQKLQSGKQN-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NCC(C1CC1)C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000541877728 380285053 /nfs/dbraw/zinc/28/50/53/380285053.db2.gz ZDEMTXAANBKAST-UHFFFAOYSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163989408 296310074 /nfs/dbraw/zinc/31/00/74/296310074.db2.gz YVACWTGQDUGLIC-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM COCC(C)(C)CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000412238739 533077221 /nfs/dbraw/zinc/07/72/21/533077221.db2.gz AVIJUCYRDORNNO-UHFFFAOYSA-N -1 0 282.296 2.302 20 5 CEBDRM CCOC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000191446023 130237767 /nfs/dbraw/zinc/23/77/67/130237767.db2.gz JDWMMTJDMOIPMP-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM CN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237242301 131017091 /nfs/dbraw/zinc/01/70/91/131017091.db2.gz DBMBTJIDVZQQOE-UHFFFAOYSA-N -1 0 272.688 2.155 20 5 CEBDRM COCC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000413649251 394610045 /nfs/dbraw/zinc/61/00/45/394610045.db2.gz QGMZFPSMBYPHFK-UHFFFAOYSA-N -1 0 282.296 2.302 20 5 CEBDRM CC(C)N(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000269258872 394715772 /nfs/dbraw/zinc/71/57/72/394715772.db2.gz ANLMKFKLDLVHEF-UHFFFAOYSA-N -1 0 264.281 2.313 20 5 CEBDRM CC(C)n1nnnc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436474584 395119621 /nfs/dbraw/zinc/11/96/21/395119621.db2.gz LYARRCNIOSWDNW-UHFFFAOYSA-N -1 0 295.324 2.160 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000436832600 395159051 /nfs/dbraw/zinc/15/90/51/395159051.db2.gz SRTYRWJSZYNQSA-SKDRFNHKSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000436832599 395159178 /nfs/dbraw/zinc/15/91/78/395159178.db2.gz SRTYRWJSZYNQSA-JOYOIKCWSA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436909836 395162965 /nfs/dbraw/zinc/16/29/65/395162965.db2.gz BAXUJZJCIZAUMY-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966631 395168457 /nfs/dbraw/zinc/16/84/57/395168457.db2.gz OAALDTVVBMWKPI-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436977205 395170270 /nfs/dbraw/zinc/17/02/70/395170270.db2.gz DWQSCKJMBONBAB-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM CC1(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436984515 395171500 /nfs/dbraw/zinc/17/15/00/395171500.db2.gz BRXLTICDTUAYKR-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CO[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000436990010 395171714 /nfs/dbraw/zinc/17/17/14/395171714.db2.gz NXLQAFWOXTUQSR-SNVBAGLBSA-N -1 0 296.323 2.186 20 5 CEBDRM CC[C@@H]1C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000435632243 395380387 /nfs/dbraw/zinc/38/03/87/395380387.db2.gz MIZZURXPTBCDHM-HTQZYQBOSA-N -1 0 290.366 2.042 20 5 CEBDRM Cc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ns1 ZINC000444363980 395430073 /nfs/dbraw/zinc/43/00/73/395430073.db2.gz OVGZWUGJUMAVOZ-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H](CCCCO)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565660482 395480030 /nfs/dbraw/zinc/48/00/30/395480030.db2.gz LFGCJQBHUFYRBX-JTQLQIEISA-N -1 0 296.323 2.185 20 5 CEBDRM CCC[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000573687289 395615414 /nfs/dbraw/zinc/61/54/14/395615414.db2.gz BMQORMHKKKNJRB-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM CC[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000217316637 153297288 /nfs/dbraw/zinc/29/72/88/153297288.db2.gz ZALLRIOESBWUIR-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000263287827 154049353 /nfs/dbraw/zinc/04/93/53/154049353.db2.gz YGOZWRMXJRVKAC-LBPRGKRZSA-N -1 0 294.307 2.051 20 5 CEBDRM C[C@@H](CN(C)c1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000263553398 154124782 /nfs/dbraw/zinc/12/47/82/154124782.db2.gz MPGIDTKHEJEWBF-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456111892 289546561 /nfs/dbraw/zinc/54/65/61/289546561.db2.gz BSSBZIDVDQKLHI-BDAKNGLRSA-N -1 0 264.281 2.076 20 5 CEBDRM CCCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165113304 162341740 /nfs/dbraw/zinc/34/17/40/162341740.db2.gz DIIDCQHIMDBZCF-NSHDSACASA-N -1 0 298.270 2.107 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](O)CC2)c1 ZINC000566739485 299019554 /nfs/dbraw/zinc/01/95/54/299019554.db2.gz FRDASCZMIYUPNW-MGCOHNPYSA-N -1 0 280.280 2.008 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225798877 270309728 /nfs/dbraw/zinc/30/97/28/270309728.db2.gz UPQGUIUALZEYHG-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000397121251 270351351 /nfs/dbraw/zinc/35/13/51/270351351.db2.gz MXDHGMRHENLYRF-TZMCWYRMSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOC1 ZINC000397231705 270352328 /nfs/dbraw/zinc/35/23/28/270352328.db2.gz RIGAGHXMSOETOX-CYBMUJFWSA-N -1 0 280.280 2.132 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436767974 271688226 /nfs/dbraw/zinc/68/82/26/271688226.db2.gz HTZXAIWGKDNUFK-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269286812 277732077 /nfs/dbraw/zinc/73/20/77/277732077.db2.gz NVSFAHDSRAOTJJ-PRHODGIISA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(Nc1ccc(F)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181896933 280108761 /nfs/dbraw/zinc/10/87/61/280108761.db2.gz BCURHVXCWJZXNZ-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000233988279 280220312 /nfs/dbraw/zinc/22/03/12/280220312.db2.gz KOKUKDFRMPPVAD-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000158068732 281086483 /nfs/dbraw/zinc/08/64/83/281086483.db2.gz DFKYIZYMNMWTHG-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CCC(CC)(CNc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000424378941 281154341 /nfs/dbraw/zinc/15/43/41/281154341.db2.gz ULZCCPWAHDCRQG-UHFFFAOYSA-N -1 0 285.275 2.432 20 5 CEBDRM COc1ccc2nc(-c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2n1 ZINC000340087769 295279223 /nfs/dbraw/zinc/27/92/23/295279223.db2.gz PPYWPCFEWUYKDO-UHFFFAOYSA-N -1 0 286.247 2.247 20 5 CEBDRM COc1cccc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263275759 295306249 /nfs/dbraw/zinc/30/62/49/295306249.db2.gz WOWUSUHVGPTVQR-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000163968860 297225981 /nfs/dbraw/zinc/22/59/81/297225981.db2.gz REGNKCYPBBYAFY-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000263282197 297344135 /nfs/dbraw/zinc/34/41/35/297344135.db2.gz XMVNVLGSZWSHKU-BDAKNGLRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C([O-])c1ccnc(NCC2(C(F)F)CC2)c1[N+](=O)[O-] ZINC000515486088 297576403 /nfs/dbraw/zinc/57/64/03/297576403.db2.gz GWNIFNXKRDHWIU-UHFFFAOYSA-N -1 0 287.222 2.145 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)S1 ZINC000539938386 298260191 /nfs/dbraw/zinc/26/01/91/298260191.db2.gz ZAEYNMRLIQBVKB-DTORHVGOSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(NCCCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000540933004 298271651 /nfs/dbraw/zinc/27/16/51/298271651.db2.gz DPUVEYXVSGWBJJ-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000094658978 301852501 /nfs/dbraw/zinc/85/25/01/301852501.db2.gz ULQXBRYCMVJIAI-JTQLQIEISA-N -1 0 264.281 2.204 20 5 CEBDRM O=C([O-])Cc1ccc(NCC2CCC2)c([N+](=O)[O-])c1 ZINC000514865430 313059780 /nfs/dbraw/zinc/05/97/80/313059780.db2.gz UOOAEXRYYSUYJJ-UHFFFAOYSA-N -1 0 264.281 2.434 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C(F)F)c1 ZINC000567592388 313909353 /nfs/dbraw/zinc/90/93/53/313909353.db2.gz XMKOJUYPDXAURU-RNFRBKRXSA-N -1 0 272.207 2.359 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000569605900 314003431 /nfs/dbraw/zinc/00/34/31/314003431.db2.gz UUDXVYSURUFXKK-QWRGUYRKSA-N -1 0 278.308 2.450 20 5 CEBDRM COC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000570634836 314050024 /nfs/dbraw/zinc/05/00/24/314050024.db2.gz LAHFDRJTUSBJSV-SNVBAGLBSA-N -1 0 297.311 2.079 20 5 CEBDRM Cc1cc(N2CCSCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571925647 314111891 /nfs/dbraw/zinc/11/18/91/314111891.db2.gz DVGWHIWBKVPRTN-UHFFFAOYSA-N -1 0 282.321 2.155 20 5 CEBDRM COCCCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000573448722 314158293 /nfs/dbraw/zinc/15/82/93/314158293.db2.gz JQKLRXWRLKQHOM-UHFFFAOYSA-N -1 0 296.323 2.451 20 5 CEBDRM CO[C@H](C)[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577377012 314369386 /nfs/dbraw/zinc/36/93/86/314369386.db2.gz AQRCDMHXHSVAQJ-DTWKUNHWSA-N -1 0 282.296 2.437 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OC ZINC000381371374 321834401 /nfs/dbraw/zinc/83/44/01/321834401.db2.gz JGRTWQZDXFKGTB-SKDRFNHKSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])c1cnc(NCC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000383209664 321846337 /nfs/dbraw/zinc/84/63/37/321846337.db2.gz BUQDVUCHVAFFBB-UHFFFAOYSA-N -1 0 287.222 2.145 20 5 CEBDRM Cc1cccc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000580773840 322342568 /nfs/dbraw/zinc/34/25/68/322342568.db2.gz KSTMRTIRWOPLEK-GXSJLCMTSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@H](C(=O)[O-])N(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000054054518 526180153 /nfs/dbraw/zinc/18/01/53/526180153.db2.gz XVGLOITUBNGSGO-MRVPVSSYSA-N -1 0 275.264 2.052 20 5 CEBDRM CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000191432500 535667331 /nfs/dbraw/zinc/66/73/31/535667331.db2.gz QJBGMWUNYMUJOL-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026460 535882894 /nfs/dbraw/zinc/88/28/94/535882894.db2.gz OQZIBLNSBVOCHB-AWEZNQCLSA-N -1 0 293.323 2.379 20 5 CEBDRM C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000737704927 574452648 /nfs/dbraw/zinc/45/26/48/574452648.db2.gz OFEOWCKDYPCHDZ-YUMQZZPRSA-N -1 0 299.304 2.092 20 5 CEBDRM CN(CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC000739665486 574502244 /nfs/dbraw/zinc/50/22/44/574502244.db2.gz XEMJOKDPWKIBBL-UHFFFAOYSA-N -1 0 293.323 2.421 20 5 CEBDRM C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000736606922 574793351 /nfs/dbraw/zinc/79/33/51/574793351.db2.gz NJPUHDOWAOJUAR-ZCFIWIBFSA-N -1 0 281.293 2.337 20 5 CEBDRM CCC[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736963443 574800546 /nfs/dbraw/zinc/80/05/46/574800546.db2.gz YVWCWMKFKIFRRK-CYBMUJFWSA-N -1 0 284.287 2.467 20 5 CEBDRM CN(CCCC(=O)OCc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000737438109 574834156 /nfs/dbraw/zinc/83/41/56/574834156.db2.gz CVDZRKRSHCECRC-UHFFFAOYSA-N -1 0 296.279 2.028 20 5 CEBDRM CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000739440146 574918914 /nfs/dbraw/zinc/91/89/14/574918914.db2.gz TYIZCRGVOOQPPK-UHFFFAOYSA-N -1 0 253.258 2.007 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739559483 574926151 /nfs/dbraw/zinc/92/61/51/574926151.db2.gz OUFNPKFDMIKUNA-YUMQZZPRSA-N -1 0 299.666 2.012 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000739588847 574927836 /nfs/dbraw/zinc/92/78/36/574927836.db2.gz SJFWKANWDRRMMW-JTQLQIEISA-N -1 0 297.286 2.313 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000739586259 574928014 /nfs/dbraw/zinc/92/80/14/574928014.db2.gz GDISTBHNTWXDKS-VIFPVBQESA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1c(CN2CCN(C(=O)[O-])[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000740049867 574940133 /nfs/dbraw/zinc/94/01/33/574940133.db2.gz SBLKWHXCVWLWGZ-SNVBAGLBSA-N -1 0 293.323 2.087 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000740519720 574957542 /nfs/dbraw/zinc/95/75/42/574957542.db2.gz IYHHAOAEZWMWCJ-MRVPVSSYSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C(OC[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000749198272 575208444 /nfs/dbraw/zinc/20/84/44/575208444.db2.gz HTXMKVUXRHHBHE-RXMQYKEDSA-N -1 0 279.079 2.274 20 5 CEBDRM O=C(OCc1cc(Cl)ccn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000751172220 575284100 /nfs/dbraw/zinc/28/41/00/575284100.db2.gz QGFIGQTVPWECKO-UHFFFAOYSA-N -1 0 281.655 2.328 20 5 CEBDRM O=C([O-])CCCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000821524086 597823920 /nfs/dbraw/zinc/82/39/20/597823920.db2.gz SSYFADAAUSBQBH-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM COc1ccc(OCc2cc(C(=O)[O-])co2)c([N+](=O)[O-])c1 ZINC000051329369 599802928 /nfs/dbraw/zinc/80/29/28/599802928.db2.gz DNOBREUVCCBWBF-UHFFFAOYSA-N -1 0 293.231 2.474 20 5 CEBDRM C[C@@H](CSc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000235138365 600205700 /nfs/dbraw/zinc/20/57/00/600205700.db2.gz PJWANTBVGCYFJS-YFKPBYRVSA-N -1 0 276.701 2.456 20 5 CEBDRM CCc1cc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ncn1 ZINC000217319907 600610846 /nfs/dbraw/zinc/61/08/46/600610846.db2.gz QTRHUXXEWFQCHM-UHFFFAOYSA-N -1 0 289.247 2.438 20 5 CEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000833186382 600873464 /nfs/dbraw/zinc/87/34/64/600873464.db2.gz DYNSDNNSGINNBI-VHSXEESVSA-N -1 0 293.275 2.391 20 5 CEBDRM Cc1cnc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000700326986 600985174 /nfs/dbraw/zinc/98/51/74/600985174.db2.gz LSVKNFNTZAJNLY-UHFFFAOYSA-N -1 0 278.220 2.168 20 5 CEBDRM Cc1cc(S[C@H](C)CC(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026662 600985877 /nfs/dbraw/zinc/98/58/77/600985877.db2.gz QCLPIJFKMVPCKT-SSDOTTSWSA-N -1 0 256.283 2.254 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147252 601000709 /nfs/dbraw/zinc/00/07/09/601000709.db2.gz VZBRJXPHVHBWHO-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM C/C(=C/COC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825769332 601420690 /nfs/dbraw/zinc/42/06/90/601420690.db2.gz NYFCZQUTNGFGTG-OQFOIZHKSA-N -1 0 279.248 2.091 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCCC2CCCC2)c1 ZINC000833307964 601810088 /nfs/dbraw/zinc/81/00/88/601810088.db2.gz VAEUSCFLYLKHNX-UHFFFAOYSA-N -1 0 294.307 2.425 20 5 CEBDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000739327144 602332855 /nfs/dbraw/zinc/33/28/55/602332855.db2.gz XWRQPSKWQFCDMN-SNVBAGLBSA-N -1 0 295.295 2.278 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NCCN(C(=O)[O-])C2CC2)c1 ZINC000829511050 603186664 /nfs/dbraw/zinc/18/66/64/603186664.db2.gz SNBGGYVEOTYHCK-UHFFFAOYSA-N -1 0 295.295 2.158 20 5 CEBDRM CN(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000828235561 603204992 /nfs/dbraw/zinc/20/49/92/603204992.db2.gz IAFQPABXUSPVNZ-QMMMGPOBSA-N -1 0 285.325 2.235 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000830138217 603445581 /nfs/dbraw/zinc/44/55/81/603445581.db2.gz ODWBJXLUPOXPMW-PWSUYJOCSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(NC(=O)[O-])CC2)c1 ZINC000830428772 603547864 /nfs/dbraw/zinc/54/78/64/603547864.db2.gz ZDQKMBRTQCYQHB-UHFFFAOYSA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000830427858 603555873 /nfs/dbraw/zinc/55/58/73/603555873.db2.gz OXENWDFNARVSLQ-MNOVXSKESA-N -1 0 293.323 2.386 20 5 CEBDRM CCCC[C@@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])cn1 ZINC000826814792 603893587 /nfs/dbraw/zinc/89/35/87/603893587.db2.gz NTBRKGCUYZIICT-VIFPVBQESA-N -1 0 282.300 2.228 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](NC(=O)[O-])C1 ZINC000825638025 604036205 /nfs/dbraw/zinc/03/62/05/604036205.db2.gz JCONEZHBSUBVIQ-MNOVXSKESA-N -1 0 293.323 2.388 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000825280790 604055773 /nfs/dbraw/zinc/05/57/73/604055773.db2.gz LJWLDLJKBWXHOS-WDEREUQCSA-N -1 0 293.323 2.467 20 5 CEBDRM O=C([O-])c1cncc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000062946884 604424957 /nfs/dbraw/zinc/42/49/57/604424957.db2.gz CFQRTJQPOHPFLH-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000300487324 604470465 /nfs/dbraw/zinc/47/04/65/604470465.db2.gz LDTVKNANTILHBE-SSDOTTSWSA-N -1 0 285.687 2.087 20 5 CEBDRM CN(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000820569459 604539554 /nfs/dbraw/zinc/53/95/54/604539554.db2.gz QVMJNHUACYEKPA-UHFFFAOYSA-N -1 0 290.275 2.371 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccccc2[N+](=O)[O-])O1 ZINC000833581682 604886578 /nfs/dbraw/zinc/88/65/78/604886578.db2.gz PPCUOWPGNJKLGK-SECBINFHSA-N -1 0 279.248 2.121 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000833814934 605497588 /nfs/dbraw/zinc/49/75/88/605497588.db2.gz DPBZOKVCKXCZMM-ZJUUUORDSA-N -1 0 279.296 2.077 20 5 CEBDRM CC(C)(NC(=O)CCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833460287 605781452 /nfs/dbraw/zinc/78/14/52/605781452.db2.gz ZGMNTHBFXLQXIH-UHFFFAOYSA-N -1 0 294.307 2.201 20 5 CEBDRM O=C([O-])c1cnc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000162349456 628261253 /nfs/dbraw/zinc/26/12/53/628261253.db2.gz WOVXFFWETBRJQF-UHFFFAOYSA-N -1 0 279.296 2.459 20 5 CEBDRM C[C@]1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000817250271 633608853 /nfs/dbraw/zinc/60/88/53/633608853.db2.gz JHTJKHSCGJJROF-LLVKDONJSA-N -1 0 287.218 2.389 20 5 CEBDRM C/C(=C\CNc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000906149069 636625512 /nfs/dbraw/zinc/62/55/12/636625512.db2.gz OGWCQACDEUTCSS-WEVVVXLNSA-N -1 0 250.254 2.346 20 5 CEBDRM CCON(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000831454448 637336193 /nfs/dbraw/zinc/33/61/93/637336193.db2.gz MUECGKUBEXVJIX-UHFFFAOYSA-N -1 0 288.687 2.367 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CC=CC1 ZINC000837537240 639271584 /nfs/dbraw/zinc/27/15/84/639271584.db2.gz BBBRZQHDBDKSMO-UHFFFAOYSA-N -1 0 263.249 2.310 20 5 CEBDRM CC(C)(F)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837611351 639307876 /nfs/dbraw/zinc/30/78/76/639307876.db2.gz RQIPOSMUZJQATI-UHFFFAOYSA-N -1 0 257.217 2.092 20 5 CEBDRM CC[C@@H](C)[C@@H](OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837696753 639347118 /nfs/dbraw/zinc/34/71/18/639347118.db2.gz QNZAEVUICAOKQY-NOZJJQNGSA-N -1 0 297.307 2.405 20 5 CEBDRM C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000920035972 641107719 /nfs/dbraw/zinc/10/77/19/641107719.db2.gz YCOGKMUAKJJARY-QMMMGPOBSA-N -1 0 292.291 2.069 20 5 CEBDRM CCCO[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848593604 642072096 /nfs/dbraw/zinc/07/20/96/642072096.db2.gz NVKCGYMJNGFKKD-UHFFFAOYSA-N -1 0 290.222 2.024 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000850264456 642645024 /nfs/dbraw/zinc/64/50/24/642645024.db2.gz BBKCMUUKNSPOFT-MYJAWHEDSA-N -1 0 277.276 2.390 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC=C(C(=O)[O-])C1 ZINC000863479912 646738811 /nfs/dbraw/zinc/73/88/11/646738811.db2.gz CXWIVQNEWHHZLW-NSHDSACASA-N -1 0 292.291 2.327 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc[nH]1 ZINC000773522630 646751884 /nfs/dbraw/zinc/75/18/84/646751884.db2.gz FYSHILNFQWTFGX-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM CC[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000779302955 647308983 /nfs/dbraw/zinc/30/89/83/647308983.db2.gz MWHQYCRSKVYLMM-BDAKNGLRSA-N -1 0 268.269 2.037 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@H]1CC12CC2 ZINC000873628545 649714562 /nfs/dbraw/zinc/71/45/62/649714562.db2.gz NDVRIJRVTRLMDU-HTQZYQBOSA-N -1 0 250.254 2.268 20 5 CEBDRM O=C([O-])[C@H]1C[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000693040987 802569847 /nfs/dbraw/zinc/56/98/47/802569847.db2.gz MVEDJWGMHBPBMX-IZLXSQMJSA-N -1 0 272.207 2.148 20 5 CEBDRM CC1(C)C[C@@H](CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)O1 ZINC001168459607 807615247 /nfs/dbraw/zinc/61/52/47/807615247.db2.gz GFRSILINKHTCGT-VIFPVBQESA-N -1 0 280.280 2.272 20 5 CEBDRM O=C([O-])c1cc(N2CCC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000711523243 810081906 /nfs/dbraw/zinc/08/19/06/810081906.db2.gz VJARIPJVSHBGMB-SECBINFHSA-N -1 0 282.271 2.479 20 5 CEBDRM Cc1ccc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693513095 814623850 /nfs/dbraw/zinc/62/38/50/814623850.db2.gz BTGBYLNLPWDTML-MNOVXSKESA-N -1 0 278.308 2.450 20 5 CEBDRM Nc1ccc2c(cnn2-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678707 816454099 /nfs/dbraw/zinc/45/40/99/816454099.db2.gz YQWYMIMMMLIMSJ-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1c[nH]c(=O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176674445 816454115 /nfs/dbraw/zinc/45/41/15/816454115.db2.gz KAOOTPILLUQAJL-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(=O)o1 ZINC001176673404 816454233 /nfs/dbraw/zinc/45/42/33/816454233.db2.gz YBKMAVBLLMPWBA-UHFFFAOYSA-N -1 0 290.231 2.298 20 5 CEBDRM O=C(Oc1cccc2c1OCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC001143185777 816802020 /nfs/dbraw/zinc/80/20/20/816802020.db2.gz IXRVTKNOKGDVNF-UHFFFAOYSA-N -1 0 288.259 2.467 20 5 CEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccoc2)c1 ZINC000350866053 219067033 /nfs/dbraw/zinc/06/70/33/219067033.db2.gz CXBBCDMAAWAICP-UHFFFAOYSA-N -1 0 286.240 2.128 20 5 CEBDRM CC1(F)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000601869870 346919513 /nfs/dbraw/zinc/91/95/13/346919513.db2.gz RVBURYRSIFBXKY-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000042161949 362064527 /nfs/dbraw/zinc/06/45/27/362064527.db2.gz LMHOYQIYDIJZJP-SECBINFHSA-N -1 0 250.254 2.038 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CSCC2 ZINC000601942211 346935457 /nfs/dbraw/zinc/93/54/57/346935457.db2.gz IAKPJHCIJYVGGA-SNVBAGLBSA-N -1 0 291.332 2.359 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000043584875 343465199 /nfs/dbraw/zinc/46/51/99/343465199.db2.gz UQIBNWFOJVVEER-JTQLQIEISA-N -1 0 279.296 2.071 20 5 CEBDRM COCCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044349088 343470381 /nfs/dbraw/zinc/47/03/81/343470381.db2.gz CIYUARUEBIDBFK-UHFFFAOYSA-N -1 0 268.269 2.132 20 5 CEBDRM CO[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000567978097 299103552 /nfs/dbraw/zinc/10/35/52/299103552.db2.gz XENZZAWWSJYZAO-CYBMUJFWSA-N -1 0 296.323 2.305 20 5 CEBDRM COc1cc(N2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044835 344270483 /nfs/dbraw/zinc/27/04/83/344270483.db2.gz BCMPLFRVXUXOAB-SECBINFHSA-N -1 0 280.280 2.047 20 5 CEBDRM O=C([O-])c1cnc(NCCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000130831318 344355382 /nfs/dbraw/zinc/35/53/82/344355382.db2.gz FJQWAIGHLYFZSL-UHFFFAOYSA-N -1 0 293.201 2.442 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000138555727 344390491 /nfs/dbraw/zinc/39/04/91/344390491.db2.gz PFHYMTVDGJLWPR-UHFFFAOYSA-N -1 0 268.244 2.401 20 5 CEBDRM COc1cc(NCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])cc1F ZINC000166679355 344476563 /nfs/dbraw/zinc/47/65/63/344476563.db2.gz CHKPGNVQAPXKHZ-UHFFFAOYSA-N -1 0 298.270 2.409 20 5 CEBDRM CC1(C)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166776823 344477022 /nfs/dbraw/zinc/47/70/22/344477022.db2.gz JJNYAKMTNFRFKD-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM CCC1(C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000292749864 282347098 /nfs/dbraw/zinc/34/70/98/282347098.db2.gz HMKDNOQGUJQGPD-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000323866965 344753734 /nfs/dbraw/zinc/75/37/34/344753734.db2.gz QLMROQWEMCKGSH-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1CC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000584843961 344992563 /nfs/dbraw/zinc/99/25/63/344992563.db2.gz XKNKLPKTYCCKKO-KOLCDFICSA-N -1 0 294.307 2.201 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000211488587 539435418 /nfs/dbraw/zinc/43/54/18/539435418.db2.gz FQFOFOXACNVHFI-UISBYWKRSA-N -1 0 278.264 2.025 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1C(=O)[O-] ZINC000592421664 345351400 /nfs/dbraw/zinc/35/14/00/345351400.db2.gz TYUDUTMTIRHJEL-YUMQZZPRSA-N -1 0 270.310 2.203 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(SCCC(=O)[O-])n1 ZINC000592964026 345416944 /nfs/dbraw/zinc/41/69/44/345416944.db2.gz UPFYUJQBVUFQQN-UHFFFAOYSA-N -1 0 256.283 2.173 20 5 CEBDRM CC1(F)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592795645 345397766 /nfs/dbraw/zinc/39/77/66/345397766.db2.gz CPLRKEVILWMOFV-UHFFFAOYSA-N -1 0 288.662 2.138 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC(F)F ZINC000592826276 345400538 /nfs/dbraw/zinc/40/05/38/345400538.db2.gz RPSJUPVDYICQOE-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000593955551 345555658 /nfs/dbraw/zinc/55/56/58/345555658.db2.gz AHSSMFDIFMWYLO-QMMMGPOBSA-N -1 0 295.295 2.054 20 5 CEBDRM CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H](C)C(=O)[O-] ZINC000595280771 345753773 /nfs/dbraw/zinc/75/37/73/345753773.db2.gz HRMZFJNHQGPRPE-JTQLQIEISA-N -1 0 294.307 2.147 20 5 CEBDRM C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000595970285 345919042 /nfs/dbraw/zinc/91/90/42/345919042.db2.gz VLOWIVUSKOWIKI-YUMQZZPRSA-N -1 0 299.714 2.190 20 5 CEBDRM CN(C[C@H]1CC1(C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596563473 346056047 /nfs/dbraw/zinc/05/60/47/346056047.db2.gz FVGLCHIQTLLREM-MRVPVSSYSA-N -1 0 251.286 2.178 20 5 CEBDRM CCOC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000597441232 346185782 /nfs/dbraw/zinc/18/57/82/346185782.db2.gz FOGAGTDSKWXASX-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM O=C([O-])c1cnc(NCC[C@@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598735723 346412010 /nfs/dbraw/zinc/41/20/10/346412010.db2.gz QCMVVNWIYCKDDX-SSDOTTSWSA-N -1 0 287.222 2.145 20 5 CEBDRM CO[C@H]1C[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000600678338 346672171 /nfs/dbraw/zinc/67/21/71/346672171.db2.gz JPUYTYUINJERND-PHIMTYICSA-N -1 0 294.307 2.059 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000065759107 362845244 /nfs/dbraw/zinc/84/52/44/362845244.db2.gz NFPQSXKLTRWGKG-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1[O-] ZINC000610874405 347720165 /nfs/dbraw/zinc/72/01/65/347720165.db2.gz AYKMFAZRRZKWDP-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC12CCOCC2 ZINC000376845115 304003684 /nfs/dbraw/zinc/00/36/84/304003684.db2.gz WDPKXUGXDWPYKC-JTQLQIEISA-N -1 0 292.291 2.056 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC2CCC2)c1 ZINC000088133332 179554388 /nfs/dbraw/zinc/55/43/88/179554388.db2.gz SYYHKBUGQJGPTK-UHFFFAOYSA-N -1 0 251.238 2.472 20 5 CEBDRM CC[C@H](O)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000450621383 282690041 /nfs/dbraw/zinc/69/00/41/282690041.db2.gz WMKXBULRLXRTRP-ZETCQYMHSA-N -1 0 288.687 2.053 20 5 CEBDRM CCC(CC)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123652214 187103166 /nfs/dbraw/zinc/10/31/66/187103166.db2.gz COKHWVHPBIFGLF-UHFFFAOYSA-N -1 0 290.316 2.201 20 5 CEBDRM CC[C@@H](C)NS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000132481663 366147795 /nfs/dbraw/zinc/14/77/95/366147795.db2.gz XGLNBOANNMMTAI-SSDOTTSWSA-N -1 0 290.316 2.119 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H](C)C(C)C)n1 ZINC000577853867 366407410 /nfs/dbraw/zinc/40/74/10/366407410.db2.gz XQKBXOSWRVZQQF-SECBINFHSA-N -1 0 281.312 2.477 20 5 CEBDRM Cc1cc(NC[C@H](C)C[C@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578195519 366457078 /nfs/dbraw/zinc/45/70/78/366457078.db2.gz ATSOVLVUAAKTEO-SCZZXKLOSA-N -1 0 296.323 2.420 20 5 CEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000080986954 363692880 /nfs/dbraw/zinc/69/28/80/363692880.db2.gz FGKHDHSYKJIMES-LBPRGKRZSA-N -1 0 292.291 2.064 20 5 CEBDRM O=C(CC[C@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180764349 189274169 /nfs/dbraw/zinc/27/41/69/189274169.db2.gz SCDJSGACOFHSKX-VIFPVBQESA-N -1 0 280.280 2.056 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCO1 ZINC000180779742 189274992 /nfs/dbraw/zinc/27/49/92/189274992.db2.gz AITSQFFSZYMFOF-SECBINFHSA-N -1 0 286.671 2.071 20 5 CEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000003071183 361262190 /nfs/dbraw/zinc/26/21/90/361262190.db2.gz JRZUOGOYWSZKCM-UHFFFAOYSA-N -1 0 294.288 2.101 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCCCC1 ZINC000184574275 189389857 /nfs/dbraw/zinc/38/98/57/189389857.db2.gz XQKQJOLJVFLXSB-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC1(Cl)Cl ZINC000089541071 363977931 /nfs/dbraw/zinc/97/79/31/363977931.db2.gz LRVWTLUWQOXXKZ-ZCFIWIBFSA-N -1 0 291.090 2.433 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1n[nH]c2ccccc21 ZINC000092546744 364080654 /nfs/dbraw/zinc/08/06/54/364080654.db2.gz RXJQZBMWWBOPPL-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000092546221 364081317 /nfs/dbraw/zinc/08/13/17/364081317.db2.gz JWBVQZCXAKLAGO-UHFFFAOYSA-N -1 0 275.264 2.498 20 5 CEBDRM O=C(CC1CCC(=O)CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356415594 370701140 /nfs/dbraw/zinc/70/11/40/370701140.db2.gz VMLAUPJNMGUIIL-UHFFFAOYSA-N -1 0 292.291 2.388 20 5 CEBDRM CCC(CC)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000094239743 364261389 /nfs/dbraw/zinc/26/13/89/364261389.db2.gz KKOATGIVGSGMAR-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1cnc(NC[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000094703446 364288663 /nfs/dbraw/zinc/28/86/63/364288663.db2.gz XGTDPAZRHYGVLC-SNVBAGLBSA-N -1 0 281.312 2.457 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000062133052 304122901 /nfs/dbraw/zinc/12/29/01/304122901.db2.gz VCPJXIGVOLHDBN-SECBINFHSA-N -1 0 287.275 2.054 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119171293 365229206 /nfs/dbraw/zinc/22/92/06/365229206.db2.gz MSPNKXVDKWBDKU-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000162120642 367138857 /nfs/dbraw/zinc/13/88/57/367138857.db2.gz BGIUMCPOWWMMDE-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM CC[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162365503 367154359 /nfs/dbraw/zinc/15/43/59/367154359.db2.gz NUDNSLXRBMQFQS-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM CCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163955760 367272503 /nfs/dbraw/zinc/27/25/03/367272503.db2.gz YAUSTQRQEFSMTJ-UHFFFAOYSA-N -1 0 252.270 2.220 20 5 CEBDRM CC[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000166875710 367330488 /nfs/dbraw/zinc/33/04/88/367330488.db2.gz SWJYGJQQEPUGKW-QMMMGPOBSA-N -1 0 297.336 2.020 20 5 CEBDRM O=C(NCc1ccsc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000342954516 367613359 /nfs/dbraw/zinc/61/33/59/367613359.db2.gz YGTGIDCHEFVGJZ-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345480173 368292085 /nfs/dbraw/zinc/29/20/85/368292085.db2.gz IADCRBZJNVLPBI-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000179543156 368341399 /nfs/dbraw/zinc/34/13/99/368341399.db2.gz UWGGIOMFLLCLOX-UWVGGRQHSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000346654570 368754563 /nfs/dbraw/zinc/75/45/63/368754563.db2.gz MSYSQAKVLSBDOZ-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CO[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000572725437 299393566 /nfs/dbraw/zinc/39/35/66/299393566.db2.gz MZUXBVKIBXELFF-SNVBAGLBSA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@H](Sc1n[nH]c(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000187635722 369192345 /nfs/dbraw/zinc/19/23/45/369192345.db2.gz KPAIMLPLYVCNQT-LURJTMIESA-N -1 0 266.282 2.272 20 5 CEBDRM Cc1c([N-]S(=O)(=O)c2ccoc2)cccc1[N+](=O)[O-] ZINC000349946656 369461175 /nfs/dbraw/zinc/46/11/75/369461175.db2.gz LBLQZZDZTTZFRE-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM CCCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])co1 ZINC000352406270 369715753 /nfs/dbraw/zinc/71/57/53/369715753.db2.gz DFBPAUWTDVKILN-UHFFFAOYSA-N -1 0 291.263 2.493 20 5 CEBDRM Cc1ccc([C@@H](C)NC(=O)C(F)F)cc1[N+](=O)[O-] ZINC000194726635 370069166 /nfs/dbraw/zinc/06/91/66/370069166.db2.gz FEKKKEBKUJDIHD-SSDOTTSWSA-N -1 0 258.224 2.346 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000194556499 370052522 /nfs/dbraw/zinc/05/25/22/370052522.db2.gz GGYRVWCOERTJOF-UHFFFAOYSA-N -1 0 286.243 2.122 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000361606895 371974293 /nfs/dbraw/zinc/97/42/93/371974293.db2.gz MDQPYIZMFBNVQP-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@@H]1[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1(F)F ZINC000361662643 372013163 /nfs/dbraw/zinc/01/31/63/372013163.db2.gz QYYABQYLIBTBPB-MLUIRONXSA-N -1 0 272.207 2.140 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC12CCC2 ZINC000356639668 296183725 /nfs/dbraw/zinc/18/37/25/296183725.db2.gz YHYWJEZOQHNAOX-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM CC(C)CSCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000270228600 372710315 /nfs/dbraw/zinc/71/03/15/372710315.db2.gz LXHRVWMECJHHNA-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM CO[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000272667551 373606423 /nfs/dbraw/zinc/60/64/23/373606423.db2.gz JLFWVJZPXIUKCH-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])[C@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261580058 304184059 /nfs/dbraw/zinc/18/40/59/304184059.db2.gz FCZYENUVJPLEHF-QMMMGPOBSA-N -1 0 268.244 2.035 20 5 CEBDRM CC/C=C\CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000384831382 375218946 /nfs/dbraw/zinc/21/89/46/375218946.db2.gz GXKBQHOUCYXSBV-ARJAWSKDSA-N -1 0 251.242 2.066 20 5 CEBDRM CC1(C2(NC(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)CC1 ZINC000398281243 375348702 /nfs/dbraw/zinc/34/87/02/375348702.db2.gz PMGTVNKXWOHZKD-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CN(CCCC(=O)[O-])c1nccc2cc([N+](=O)[O-])ccc21 ZINC000416424026 376066790 /nfs/dbraw/zinc/06/67/90/376066790.db2.gz ZSOVHWZNLNPITK-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000313941667 376760879 /nfs/dbraw/zinc/76/08/79/376760879.db2.gz ASGDAMQDWRUYCI-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM Cc1cc(N2CCC[C@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000313152318 376736789 /nfs/dbraw/zinc/73/67/89/376736789.db2.gz RVTLGYDXBLWWEY-VIFPVBQESA-N -1 0 282.271 2.343 20 5 CEBDRM CN(CCCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000430667917 377539265 /nfs/dbraw/zinc/53/92/65/377539265.db2.gz GNWXNQAMDNYNJH-UHFFFAOYSA-N -1 0 270.260 2.031 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000574404547 299493089 /nfs/dbraw/zinc/49/30/89/299493089.db2.gz WCHHTFOWYIJIQR-LDYMZIIASA-N -1 0 292.291 2.097 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccn1 ZINC000184971067 249334123 /nfs/dbraw/zinc/33/41/23/249334123.db2.gz VUFXWKHDHGVWEC-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CC[C@H](C)CONC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000293773050 377751880 /nfs/dbraw/zinc/75/18/80/377751880.db2.gz QXWYMHBHZCUTJL-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436871929 377834466 /nfs/dbraw/zinc/83/44/66/377834466.db2.gz UVNOTKBPYZFFEV-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM Cc1cc(NCCCCCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000520588144 379490049 /nfs/dbraw/zinc/49/00/49/379490049.db2.gz HYUARRTWAVYSNK-UHFFFAOYSA-N -1 0 282.296 2.176 20 5 CEBDRM Cc1ccc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000092923398 184635938 /nfs/dbraw/zinc/63/59/38/184635938.db2.gz JEACFPFHGCZVOP-UWVGGRQHSA-N -1 0 264.281 2.203 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280967835 195051103 /nfs/dbraw/zinc/05/11/03/195051103.db2.gz OARQMJGCWFAKAA-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM CCc1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)s1 ZINC000349159400 218816547 /nfs/dbraw/zinc/81/65/47/218816547.db2.gz LUXCUXAMDFRURZ-UHFFFAOYSA-N -1 0 282.300 2.182 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CSC2(C)C)n1 ZINC000575872520 299575186 /nfs/dbraw/zinc/57/51/86/299575186.db2.gz RKVKESHJIURFAM-MRVPVSSYSA-N -1 0 297.336 2.302 20 5 CEBDRM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000282846209 297387290 /nfs/dbraw/zinc/38/72/90/297387290.db2.gz VYEKYEAAGAGUGO-JOAULVNJSA-N -1 0 280.280 2.052 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237521243 131037963 /nfs/dbraw/zinc/03/79/63/131037963.db2.gz DYYYARRXLQNQCV-SECBINFHSA-N -1 0 292.291 2.165 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164544887 296491015 /nfs/dbraw/zinc/49/10/15/296491015.db2.gz KRJIKIIDCVZFDG-PSASIEDQSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@@H](C)[C@H]1C ZINC000416325070 395055099 /nfs/dbraw/zinc/05/50/99/395055099.db2.gz RZVTVEBSGQVTSG-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(NCC1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674545 395142855 /nfs/dbraw/zinc/14/28/55/395142855.db2.gz PUESDDBBWVXRBP-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000436956250 395167011 /nfs/dbraw/zinc/16/70/11/395167011.db2.gz LPBUTGCAPPESBG-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)CC(=O)[O-] ZINC000520235180 395239424 /nfs/dbraw/zinc/23/94/24/395239424.db2.gz RSAHWKXOMJAAJC-MRVPVSSYSA-N -1 0 279.296 2.086 20 5 CEBDRM Cc1cc[nH]c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000436151570 395411961 /nfs/dbraw/zinc/41/19/61/395411961.db2.gz LNTSTERFDTVXBO-UHFFFAOYSA-N -1 0 261.237 2.189 20 5 CEBDRM O=C(NC[C@@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194049337 395423476 /nfs/dbraw/zinc/42/34/76/395423476.db2.gz CAOFLJMBYSRRJP-LBPRGKRZSA-N -1 0 298.298 2.370 20 5 CEBDRM Cc1cc(NCCC(C)(C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566012377 395495257 /nfs/dbraw/zinc/49/52/57/395495257.db2.gz BRQLURKIBYIFOJ-UHFFFAOYSA-N -1 0 296.323 2.422 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCC3(CC3)C2)n1 ZINC000574326476 395628150 /nfs/dbraw/zinc/62/81/50/395628150.db2.gz BTZLUVYELVCNIE-UHFFFAOYSA-N -1 0 277.280 2.068 20 5 CEBDRM O=C([O-])CCCCCNc1ncc([N+](=O)[O-])s1 ZINC000226759932 153337990 /nfs/dbraw/zinc/33/79/90/153337990.db2.gz GHFMNCOKIRKLIY-UHFFFAOYSA-N -1 0 259.287 2.108 20 5 CEBDRM CC[C@H](C)[C@H](Nc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000262964757 154003380 /nfs/dbraw/zinc/00/33/80/154003380.db2.gz AIWRMAMKYPYEME-RCOVLWMOSA-N -1 0 271.248 2.040 20 5 CEBDRM CC(C)CO[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000548190451 298399828 /nfs/dbraw/zinc/39/98/28/298399828.db2.gz IYOONGZKYANVGS-SECBINFHSA-N -1 0 282.296 2.300 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2nccn2c1 ZINC000180767723 165319747 /nfs/dbraw/zinc/31/97/47/165319747.db2.gz BJMARFMVHUZFLV-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000071733428 176257235 /nfs/dbraw/zinc/25/72/35/176257235.db2.gz YDXUJQZSXPZGET-UHFFFAOYSA-N -1 0 294.307 2.168 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(C1)CCCC2 ZINC000366696357 304503366 /nfs/dbraw/zinc/50/33/66/304503366.db2.gz YWMHPUDQPDXTCX-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(NCc1cccs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184592044 262288233 /nfs/dbraw/zinc/28/82/33/262288233.db2.gz UWVWSPWDASGWLG-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000424902556 264372581 /nfs/dbraw/zinc/37/25/81/264372581.db2.gz DDMRPYWSJPDQCQ-JQWIXIFHSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@H]1CC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000398119304 270356749 /nfs/dbraw/zinc/35/67/49/270356749.db2.gz AHVXUWJXORHPCC-WPRPVWTQSA-N -1 0 280.280 2.272 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000399573878 270371065 /nfs/dbraw/zinc/37/10/65/270371065.db2.gz PNNXAUCPZVKVHS-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM CC1(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000430089961 271357583 /nfs/dbraw/zinc/35/75/83/271357583.db2.gz LRTCOVXMNWAQAR-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000437006945 271700132 /nfs/dbraw/zinc/70/01/32/271700132.db2.gz YQKQDIYSSYBLDC-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])o1 ZINC000130284107 279933106 /nfs/dbraw/zinc/93/31/06/279933106.db2.gz KOHNUQNQKFEPOO-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000133726788 280003971 /nfs/dbraw/zinc/00/39/71/280003971.db2.gz VRLUJIOTBTUSMG-AWEZNQCLSA-N -1 0 294.307 2.295 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(F)(F)C1 ZINC000339077365 280368912 /nfs/dbraw/zinc/36/89/12/280368912.db2.gz PZCATPDPWJZMEN-UHFFFAOYSA-N -1 0 258.224 2.141 20 5 CEBDRM CC1(C)C(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000217315953 280888376 /nfs/dbraw/zinc/88/83/76/280888376.db2.gz NWLGIJHSRBGNLT-UHFFFAOYSA-N -1 0 278.308 2.465 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(SCCC(=O)[O-])c1 ZINC000155791011 289182856 /nfs/dbraw/zinc/18/28/56/289182856.db2.gz RSKSGVNPWBINOA-UHFFFAOYSA-N -1 0 257.267 2.170 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456891332 289688139 /nfs/dbraw/zinc/68/81/39/289688139.db2.gz YPVNEIXXBBKZAJ-GWCFXTLKSA-N -1 0 276.292 2.076 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3ccoc3)[n-]2)cc1 ZINC000486940348 290321775 /nfs/dbraw/zinc/32/17/75/290321775.db2.gz KFUKIIKFOPMYIQ-UHFFFAOYSA-N -1 0 286.247 2.272 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(N2CCC(C(=O)[O-])CC2)c1 ZINC000263528330 294991595 /nfs/dbraw/zinc/99/15/95/294991595.db2.gz VEDDDLITIIHWCJ-UHFFFAOYSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000253188854 297212656 /nfs/dbraw/zinc/21/26/56/297212656.db2.gz IFJJIZMGSJIYQF-ILWJIGKKSA-N -1 0 294.307 2.443 20 5 CEBDRM CN(CC1(O)CCCC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000161710995 297448346 /nfs/dbraw/zinc/44/83/46/297448346.db2.gz NUHJVTWMLWJTTO-UHFFFAOYSA-N -1 0 294.307 2.034 20 5 CEBDRM O=C([O-])c1cnc(NCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000162421655 297452353 /nfs/dbraw/zinc/45/23/53/297452353.db2.gz QTJVVKSMQQIBKT-UHFFFAOYSA-N -1 0 279.174 2.052 20 5 CEBDRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000059151981 299029094 /nfs/dbraw/zinc/02/90/94/299029094.db2.gz WQBBZKAJIUGTCO-LURJTMIESA-N -1 0 262.187 2.334 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCOC3)no2)cc1[O-] ZINC000350859037 312950626 /nfs/dbraw/zinc/95/06/26/312950626.db2.gz SWMWIFJQYUHCFZ-VIFPVBQESA-N -1 0 291.263 2.244 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)[C@H]2C)n1 ZINC000521629446 313131221 /nfs/dbraw/zinc/13/12/21/313131221.db2.gz NVZPMMMAFWBVTE-FXBDTBDDSA-N -1 0 293.323 2.477 20 5 CEBDRM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F ZINC000565035518 313792019 /nfs/dbraw/zinc/79/20/19/313792019.db2.gz NJEUZQIJWONFBB-RXMQYKEDSA-N -1 0 293.201 2.298 20 5 CEBDRM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000566291466 313863751 /nfs/dbraw/zinc/86/37/51/313863751.db2.gz RRGABHLJYCVMNE-YFKPBYRVSA-N -1 0 293.201 2.298 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)c2ccon2)n1 ZINC000575319110 314217183 /nfs/dbraw/zinc/21/71/83/314217183.db2.gz GXCXUCMAYUEHIN-SSDOTTSWSA-N -1 0 292.251 2.158 20 5 CEBDRM Cc1cc(NCCC[C@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581372761 322391569 /nfs/dbraw/zinc/39/15/69/322391569.db2.gz WWDMIMJCGQREIK-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM O=Cc1ccc(-c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000874972018 649877759 /nfs/dbraw/zinc/87/77/59/649877759.db2.gz JAFXUTJVJFMADQ-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C(=O)[O-] ZINC000737704921 574452665 /nfs/dbraw/zinc/45/26/65/574452665.db2.gz OFEOWCKDYPCHDZ-JGVFFNPUSA-N -1 0 299.304 2.092 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000738580232 574481443 /nfs/dbraw/zinc/48/14/43/574481443.db2.gz JUYWNXCZKMVWPJ-UHFFFAOYSA-N -1 0 292.247 2.098 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000738580629 574481619 /nfs/dbraw/zinc/48/16/19/574481619.db2.gz OEAQYBUYPWGPJZ-UHFFFAOYSA-N -1 0 293.231 2.363 20 5 CEBDRM CC(C)C[C@@H](CNC(=O)[O-])Nc1ncccc1[N+](=O)[O-] ZINC000738806237 574763008 /nfs/dbraw/zinc/76/30/08/574763008.db2.gz FCPULLFDOXRKNP-VIFPVBQESA-N -1 0 282.300 2.084 20 5 CEBDRM CCC[C@H](O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736971443 574800742 /nfs/dbraw/zinc/80/07/42/574800742.db2.gz BVIXXIRSRPARBX-ZRQQLDRUSA-N -1 0 294.307 2.266 20 5 CEBDRM O=C([O-])Cc1cccc(Nc2cccnc2[N+](=O)[O-])c1 ZINC000738630817 574871900 /nfs/dbraw/zinc/87/19/00/574871900.db2.gz SJOXLXVWHGUGJE-UHFFFAOYSA-N -1 0 273.248 2.361 20 5 CEBDRM C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739190564 574898841 /nfs/dbraw/zinc/89/88/41/574898841.db2.gz ODNOISIFUZOCGI-QWRGUYRKSA-N -1 0 293.323 2.167 20 5 CEBDRM Cc1ccnc(NC[C@@H]2CCCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000740196949 574947747 /nfs/dbraw/zinc/94/77/47/574947747.db2.gz XQIPTGMJCGWBBB-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM CN(CCC(=O)[O-])c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000818469950 596982936 /nfs/dbraw/zinc/98/29/36/596982936.db2.gz QGZVNXDWTJTCGZ-UHFFFAOYSA-N -1 0 281.293 2.115 20 5 CEBDRM C[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000262185623 598160021 /nfs/dbraw/zinc/16/00/21/598160021.db2.gz XLTOZMXMCMIJPJ-LURJTMIESA-N -1 0 290.222 2.106 20 5 CEBDRM CCc1cnc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000830295555 600834962 /nfs/dbraw/zinc/83/49/62/600834962.db2.gz VEZYDQRXOAIUKB-UHFFFAOYSA-N -1 0 292.247 2.422 20 5 CEBDRM CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000094701882 600922135 /nfs/dbraw/zinc/92/21/35/600922135.db2.gz GEKWTDIADDSENI-LLVKDONJSA-N -1 0 294.307 2.072 20 5 CEBDRM CCCCC[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000829349519 601383583 /nfs/dbraw/zinc/38/35/83/601383583.db2.gz YCPNLWLGBWIAFC-SECBINFHSA-N -1 0 267.285 2.435 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832921512 601507461 /nfs/dbraw/zinc/50/74/61/601507461.db2.gz RQUZBSJQZJDYOO-LSJOCFKGSA-N -1 0 293.275 2.228 20 5 CEBDRM Cc1cc(N[C@H](CCO)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896619 602319661 /nfs/dbraw/zinc/31/96/61/602319661.db2.gz DRRBRBBHFVSLEQ-GFCCVEGCSA-N -1 0 294.307 2.174 20 5 CEBDRM C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C(=O)[O-] ZINC000220638707 602832157 /nfs/dbraw/zinc/83/21/57/602832157.db2.gz NWUGJRNZTZQKDA-QWRGUYRKSA-N -1 0 293.323 2.167 20 5 CEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000832521643 603198558 /nfs/dbraw/zinc/19/85/58/603198558.db2.gz PGMBRTJOYWWBSC-KOLCDFICSA-N -1 0 294.311 2.228 20 5 CEBDRM CN(C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828236542 603202903 /nfs/dbraw/zinc/20/29/03/603202903.db2.gz RNOPSBYCVCCVFS-SNVBAGLBSA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1cc(N2CCC[C@H]2CN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830086298 603203533 /nfs/dbraw/zinc/20/35/33/603203533.db2.gz ZYGRGISFSOJQHW-LBPRGKRZSA-N -1 0 293.323 2.482 20 5 CEBDRM CCN(CCCNc1ncc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000827130060 603206852 /nfs/dbraw/zinc/20/68/52/603206852.db2.gz QEJYZUIJXOUXSB-UHFFFAOYSA-N -1 0 282.300 2.100 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000830137891 603443407 /nfs/dbraw/zinc/44/34/07/603443407.db2.gz HMPQVFZEFRCJPZ-LLVKDONJSA-N -1 0 293.323 2.339 20 5 CEBDRM CC(=O)c1ccc(NCC(C)(C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000823632803 603518641 /nfs/dbraw/zinc/51/86/41/603518641.db2.gz SXEDUGSWVDAZGW-UHFFFAOYSA-N -1 0 295.295 2.256 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832391542 604374666 /nfs/dbraw/zinc/37/46/66/604374666.db2.gz CKZSXNAZXMFIGC-SNVBAGLBSA-N -1 0 299.714 2.090 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H](NC(=O)[O-])C(C)C)n1 ZINC000830428786 604900026 /nfs/dbraw/zinc/90/00/26/604900026.db2.gz ZNBPGIUAJPIQLA-VIFPVBQESA-N -1 0 282.300 2.002 20 5 CEBDRM C/C(=C\COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000833381855 605030988 /nfs/dbraw/zinc/03/09/88/605030988.db2.gz DZVXJVHKKPXCJB-QPJJXVBHSA-N -1 0 299.666 2.436 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(C)c([N+](=O)[O-])c2)O1 ZINC000833581820 605238317 /nfs/dbraw/zinc/23/83/17/605238317.db2.gz XTSTYBIQYPFVGJ-NSHDSACASA-N -1 0 293.275 2.430 20 5 CEBDRM C/C(=C/Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000833383651 605580991 /nfs/dbraw/zinc/58/09/91/605580991.db2.gz LRZKPHNYEAKJQY-YVMONPNESA-N -1 0 275.264 2.284 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000739927743 605625637 /nfs/dbraw/zinc/62/56/37/605625637.db2.gz NGYSGGDHRZSJDP-QMMMGPOBSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])N[C@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000834150442 605923929 /nfs/dbraw/zinc/92/39/29/605923929.db2.gz MPZYXBVAMFTWEY-SNVBAGLBSA-N -1 0 283.259 2.192 20 5 CEBDRM CCOc1cc(N(CC(=O)[O-])CC2CC2)ccc1[N+](=O)[O-] ZINC000111044732 627739496 /nfs/dbraw/zinc/73/94/96/627739496.db2.gz YUFUHOAHGFTFDU-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM O=C([O-])C1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000261785277 629227820 /nfs/dbraw/zinc/22/78/20/629227820.db2.gz PXRRMCSHSWVACK-UHFFFAOYSA-N -1 0 278.264 2.178 20 5 CEBDRM CS[C@@H](C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000797208912 630175444 /nfs/dbraw/zinc/17/54/44/630175444.db2.gz KRGXSZGSTHNRCX-RQJHMYQMSA-N -1 0 258.299 2.220 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000263282199 631396487 /nfs/dbraw/zinc/39/64/87/631396487.db2.gz XMVNVLGSZWSHKU-IUCAKERBSA-N -1 0 282.271 2.281 20 5 CEBDRM CC(C)(O)CON=c1[n-]cc([N+](=O)[O-])cc1C(F)(F)F ZINC000840295015 632729706 /nfs/dbraw/zinc/72/97/06/632729706.db2.gz UIASHBBPDBIPGC-UHFFFAOYSA-N -1 0 295.217 2.123 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000834659985 637909231 /nfs/dbraw/zinc/90/92/31/637909231.db2.gz HRXWJUPZXIPRBO-BDAKNGLRSA-N -1 0 296.348 2.314 20 5 CEBDRM CC(C)(O)CCCCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835430130 638252313 /nfs/dbraw/zinc/25/23/13/638252313.db2.gz HDMJODFDXWMAMU-UHFFFAOYSA-N -1 0 270.285 2.021 20 5 CEBDRM CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(F)(F)F ZINC000835652511 638341095 /nfs/dbraw/zinc/34/10/95/638341095.db2.gz RRYGDBYPIDXROL-LURJTMIESA-N -1 0 266.175 2.421 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000911727920 638379663 /nfs/dbraw/zinc/37/96/63/638379663.db2.gz UGEWYPSMBHFORU-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C12CCC2 ZINC000835884457 638443702 /nfs/dbraw/zinc/44/37/02/638443702.db2.gz OKBNBMGIDJZYRX-VHSXEESVSA-N -1 0 280.280 2.037 20 5 CEBDRM CO[C@@H](C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211213 640633127 /nfs/dbraw/zinc/63/31/27/640633127.db2.gz UXJVQYGUOBUNSR-RNEXMXFGSA-N -1 0 280.280 2.139 20 5 CEBDRM CO[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000850177906 642606673 /nfs/dbraw/zinc/60/66/73/642606673.db2.gz OCNAQNIVVFBYHX-CYBMUJFWSA-N -1 0 295.291 2.159 20 5 CEBDRM C[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000923056738 643541518 /nfs/dbraw/zinc/54/15/18/643541518.db2.gz CEAJVOOBKAXVFI-RNCFNFMXSA-N -1 0 295.291 2.159 20 5 CEBDRM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000923450736 643720652 /nfs/dbraw/zinc/72/06/52/643720652.db2.gz ICHRWWVUCWFKLB-OXHMUOHRSA-N -1 0 295.291 2.015 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722673085 802460968 /nfs/dbraw/zinc/46/09/68/802460968.db2.gz NORWWUNVJHVWBW-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM COc1cc([N-]c2ccc(F)cc2[N+](=O)[O-])no1 ZINC001210951346 802757129 /nfs/dbraw/zinc/75/71/29/802757129.db2.gz FBMQUPCSAPPTGW-UHFFFAOYSA-N -1 0 253.189 2.474 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC000715312010 814946418 /nfs/dbraw/zinc/94/64/18/814946418.db2.gz DVBNVVTUYVJBRT-WPRPVWTQSA-N -1 0 250.254 2.036 20 5 CEBDRM COC[C@H](C)OC[C@@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490379 804885674 /nfs/dbraw/zinc/88/56/74/804885674.db2.gz HQLIYFFFKQMMGG-VHSXEESVSA-N -1 0 285.296 2.119 20 5 CEBDRM COc1cc(C)c([N+](=O)[O-])cc1NCc1cc(=O)[n-]o1 ZINC001169484957 811531166 /nfs/dbraw/zinc/53/11/66/811531166.db2.gz DISMTOPBPRTJKC-UHFFFAOYSA-N -1 0 279.252 2.218 20 5 CEBDRM O=C(Nc1cnc2ccccn12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001146338043 814274873 /nfs/dbraw/zinc/27/48/73/814274873.db2.gz KOJDJZDNZBUBSG-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CCc1nnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)s1 ZINC001174502380 816029134 /nfs/dbraw/zinc/02/91/34/816029134.db2.gz MKANEOGEPKZJOM-UHFFFAOYSA-N -1 0 294.292 2.451 20 5 CEBDRM Nc1cccc2c1cnn2-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504783 816030277 /nfs/dbraw/zinc/03/02/77/816030277.db2.gz JPWFDVIPSLBKJZ-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1nocc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673094 816452666 /nfs/dbraw/zinc/45/26/66/816452666.db2.gz RSVPMUBTOMDYSE-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM Nc1cccc2ncn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c21 ZINC001176677407 816454031 /nfs/dbraw/zinc/45/40/31/816454031.db2.gz VYARFPPCQMJDQE-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000041031348 362014586 /nfs/dbraw/zinc/01/45/86/362014586.db2.gz RLPJGVJLGMPCLW-LBPRGKRZSA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CSCC2 ZINC000601936866 346933195 /nfs/dbraw/zinc/93/31/95/346933195.db2.gz WMBQKXLHGQTCKK-JTQLQIEISA-N -1 0 291.332 2.359 20 5 CEBDRM CC(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006256070 343356032 /nfs/dbraw/zinc/35/60/32/343356032.db2.gz PVYJTHDFRCNNNH-LLVKDONJSA-N -1 0 295.295 2.216 20 5 CEBDRM O=C([O-])CC[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000043584997 343465205 /nfs/dbraw/zinc/46/52/05/343465205.db2.gz DUALJOOBHFMUAJ-SNVBAGLBSA-N -1 0 279.296 2.071 20 5 CEBDRM CN(CC1CCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179492066 529863150 /nfs/dbraw/zinc/86/31/50/529863150.db2.gz JFSOXEAZSXZGBL-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CO[C@@H](C)CN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567978069 299103430 /nfs/dbraw/zinc/10/34/30/299103430.db2.gz VUUOAAFWVTYFFR-VIFPVBQESA-N -1 0 282.296 2.073 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)S1 ZINC000075179330 343840383 /nfs/dbraw/zinc/84/03/83/343840383.db2.gz DCQMTYXGJAEILW-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)CC(=O)[O-] ZINC000158632596 344451805 /nfs/dbraw/zinc/45/18/05/344451805.db2.gz SANHXMVOXJDYBV-QMMMGPOBSA-N -1 0 252.270 2.426 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000158631326 344451952 /nfs/dbraw/zinc/45/19/52/344451952.db2.gz NKIMYUGUHBJBCO-VHSXEESVSA-N -1 0 264.281 2.203 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])cn1 ZINC000050196188 362409613 /nfs/dbraw/zinc/40/96/13/362409613.db2.gz OGJISGHRGDVBEP-UHFFFAOYSA-N -1 0 253.258 2.045 20 5 CEBDRM CO[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])CC(C)C ZINC000592978167 345417648 /nfs/dbraw/zinc/41/76/48/345417648.db2.gz TZLKGGXACBLXEG-SECBINFHSA-N -1 0 297.311 2.161 20 5 CEBDRM O=C([O-])[C@@H]1CC12CCN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000592980961 345418367 /nfs/dbraw/zinc/41/83/67/345418367.db2.gz YZOZRVRSFYIYSG-QMMMGPOBSA-N -1 0 282.321 2.347 20 5 CEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)C(=O)[O-] ZINC000592992517 345419944 /nfs/dbraw/zinc/41/99/44/345419944.db2.gz FRBVRJNNPHOERB-SNVBAGLBSA-N -1 0 294.307 2.053 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593763588 345534290 /nfs/dbraw/zinc/53/42/90/345534290.db2.gz SKCWHHQSCPXJQB-DTWKUNHWSA-N -1 0 282.321 2.203 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000593835835 345544591 /nfs/dbraw/zinc/54/45/91/345544591.db2.gz PUULSRQMYSCDMB-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593886685 345548494 /nfs/dbraw/zinc/54/84/94/345548494.db2.gz MZDJTUKFASRIIO-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@H]1CCC[C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000594736907 345682057 /nfs/dbraw/zinc/68/20/57/345682057.db2.gz XYCJVTXTKZBGAS-IUCAKERBSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000597445211 346186928 /nfs/dbraw/zinc/18/69/28/346186928.db2.gz SMOQHLXEFJIOOL-NOZJJQNGSA-N -1 0 294.307 2.444 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000598234015 346312980 /nfs/dbraw/zinc/31/29/80/346312980.db2.gz PCOYOQFRWSJHGD-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)CC(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598504655 346367055 /nfs/dbraw/zinc/36/70/55/346367055.db2.gz LQYWDDIUJADIEE-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598784248 346419819 /nfs/dbraw/zinc/41/98/19/346419819.db2.gz UGFPWMPLYRATQN-ZETCQYMHSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(C1CC1)C1CC1 ZINC000600360802 346635197 /nfs/dbraw/zinc/63/51/97/346635197.db2.gz RKMJEPQTVLALJG-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM CCO[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000610930460 347723366 /nfs/dbraw/zinc/72/33/66/347723366.db2.gz KMSLKBJTLCDSEQ-ZDUSSCGKSA-N -1 0 280.324 2.301 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611559629 347794735 /nfs/dbraw/zinc/79/47/35/347794735.db2.gz SYRXEFNAMZKHFH-PRHODGIISA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521518 347790839 /nfs/dbraw/zinc/79/08/39/347790839.db2.gz NZPQLTHCMAIRNA-SKDRFNHKSA-N -1 0 268.288 2.480 20 5 CEBDRM O=C(Cc1ncccc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000619388804 349167765 /nfs/dbraw/zinc/16/77/65/349167765.db2.gz KZYQHSCVAXRKKH-UHFFFAOYSA-N -1 0 291.238 2.016 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H](C2CCC2)C1 ZINC000411836926 233285914 /nfs/dbraw/zinc/28/59/14/233285914.db2.gz AMVGXQJBZRTYGF-HNNXBMFYSA-N -1 0 292.335 2.301 20 5 CEBDRM C[C@H](N=c1[n-]nc(C2CC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000450567749 282665268 /nfs/dbraw/zinc/66/52/68/282665268.db2.gz WEQAJJOOZZEPBN-QMMMGPOBSA-N -1 0 274.280 2.450 20 5 CEBDRM O=c1c2c([n-]n1-c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000104931056 186033286 /nfs/dbraw/zinc/03/32/86/186033286.db2.gz PRVQCFDPVOWMDG-NSHDSACASA-N -1 0 259.265 2.488 20 5 CEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108655513 186226286 /nfs/dbraw/zinc/22/62/86/186226286.db2.gz WZQKDSXKQVPBSE-UWVGGRQHSA-N -1 0 292.291 2.424 20 5 CEBDRM CN(CC1CCOCC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000111179004 186365475 /nfs/dbraw/zinc/36/54/75/186365475.db2.gz ACDDCKFLXRLDRF-UHFFFAOYSA-N -1 0 294.307 2.156 20 5 CEBDRM CCO[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570215353 299245577 /nfs/dbraw/zinc/24/55/77/299245577.db2.gz HOXZOANVCYRAEE-AOOOYVTPSA-N -1 0 280.280 2.272 20 5 CEBDRM CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)[O-] ZINC000078879883 363552152 /nfs/dbraw/zinc/55/21/52/363552152.db2.gz CYYPBQNDEPHOBR-UHFFFAOYSA-N -1 0 284.243 2.173 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2[C@H](C)CC[C@@H]2C)n1 ZINC000577955461 366420150 /nfs/dbraw/zinc/42/01/50/366420150.db2.gz UVFRZCVWKPYLHW-DTORHVGOSA-N -1 0 279.296 2.374 20 5 CEBDRM CC1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000571089805 299293419 /nfs/dbraw/zinc/29/34/19/299293419.db2.gz IAIQOWDKDIMUJP-UHFFFAOYSA-N -1 0 270.672 2.046 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cncs1 ZINC000338899239 366564209 /nfs/dbraw/zinc/56/42/09/366564209.db2.gz GSAVXSNBZQDKQK-SSDOTTSWSA-N -1 0 293.304 2.248 20 5 CEBDRM Cc1cc(=O)[nH]c(C=Cc2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000339115282 366659252 /nfs/dbraw/zinc/65/92/52/366659252.db2.gz CYQSYQBEVYGJJL-HYXAFXHYSA-N -1 0 273.248 2.275 20 5 CEBDRM CC(=O)c1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000571407305 299308253 /nfs/dbraw/zinc/30/82/53/299308253.db2.gz AVYVYZPTIXTSKU-LDYMZIIASA-N -1 0 292.291 2.097 20 5 CEBDRM CC[C@@H](Sc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] ZINC000097824152 364521078 /nfs/dbraw/zinc/52/10/78/364521078.db2.gz VGHAYUPXTBKHRL-MRVPVSSYSA-N -1 0 256.283 2.254 20 5 CEBDRM Cc1n[nH]c(C)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000341353532 367300876 /nfs/dbraw/zinc/30/08/76/367300876.db2.gz PWUVTICPSBZIQL-ONEGZZNKSA-N -1 0 288.263 2.198 20 5 CEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC=CCC2)s1 ZINC000172465402 367751661 /nfs/dbraw/zinc/75/16/61/367751661.db2.gz XKIMMGYCBYFZOS-QMMMGPOBSA-N -1 0 288.350 2.043 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H]1C(F)F ZINC000343380582 367781675 /nfs/dbraw/zinc/78/16/75/367781675.db2.gz KWDQWPKNVWCIDA-MRVPVSSYSA-N -1 0 286.234 2.170 20 5 CEBDRM CSC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000173349599 367900774 /nfs/dbraw/zinc/90/07/74/367900774.db2.gz MSJKJNBXIMKNAA-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C(Nc1cc(F)ccc1O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343805843 368015092 /nfs/dbraw/zinc/01/50/92/368015092.db2.gz KPSLXOJEJMAZSZ-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345066436 368144565 /nfs/dbraw/zinc/14/45/65/368144565.db2.gz ACOSLOPQMKPHTO-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184637812 368707732 /nfs/dbraw/zinc/70/77/32/368707732.db2.gz KJHIKPJAIJSWQB-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350650122 369561736 /nfs/dbraw/zinc/56/17/36/369561736.db2.gz KZBFCAPCVSTESZ-XPUUQOCRSA-N -1 0 261.237 2.474 20 5 CEBDRM COc1nn(C)cc1[N-]c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000352583128 369796197 /nfs/dbraw/zinc/79/61/97/369796197.db2.gz IAFAGKYLSCINFO-UHFFFAOYSA-N -1 0 277.284 2.092 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353010212 369979805 /nfs/dbraw/zinc/97/98/05/369979805.db2.gz UOHPCOVWWKIJFN-JTQLQIEISA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000262155160 299430790 /nfs/dbraw/zinc/43/07/90/299430790.db2.gz RRJCFJBPLFZGGF-YFKPBYRVSA-N -1 0 276.195 2.081 20 5 CEBDRM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCOC1 ZINC000272871436 373688364 /nfs/dbraw/zinc/68/83/64/373688364.db2.gz WSSVLYYOKTUXQU-CYBMUJFWSA-N -1 0 280.280 2.056 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000275021194 374128580 /nfs/dbraw/zinc/12/85/80/374128580.db2.gz TTWWRHGZALNOFG-JTQLQIEISA-N -1 0 277.236 2.202 20 5 CEBDRM CC/C=C/CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000384831383 375218808 /nfs/dbraw/zinc/21/88/08/375218808.db2.gz GXKBQHOUCYXSBV-ONEGZZNKSA-N -1 0 251.242 2.066 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CSC[C@@H]2C)n1 ZINC000573971892 299465719 /nfs/dbraw/zinc/46/57/19/299465719.db2.gz YBGQJOJGJZOKBH-RCOVLWMOSA-N -1 0 297.336 2.160 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C(=O)[O-])C(C)C)n1 ZINC000416401412 376060768 /nfs/dbraw/zinc/06/07/68/376060768.db2.gz MQVKTPAWIGUMME-SECBINFHSA-N -1 0 267.285 2.128 20 5 CEBDRM Cn1cnc([N+](=O)[O-])c1N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000416442895 376072301 /nfs/dbraw/zinc/07/23/01/376072301.db2.gz UYLAJPNMOOEQLT-MRVPVSSYSA-N -1 0 284.316 2.020 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000287997679 376357427 /nfs/dbraw/zinc/35/74/27/376357427.db2.gz IELKLOVBKIHECK-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM Cc1cc(NCC[C@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574279988 299481403 /nfs/dbraw/zinc/48/14/03/299481403.db2.gz DIZBNICZCZDPRB-JTQLQIEISA-N -1 0 294.307 2.440 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000424983960 377321033 /nfs/dbraw/zinc/32/10/33/377321033.db2.gz RWWBCWNXPXCOMZ-WDEREUQCSA-N -1 0 276.292 2.219 20 5 CEBDRM O=C(Nc1nc2ccccc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427677109 377433876 /nfs/dbraw/zinc/43/38/76/377433876.db2.gz DZDRDGMMLRSPNI-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM COc1ccc(=NCc2ccc([N+](=O)[O-])cc2Cl)[n-]n1 ZINC000428341364 377488940 /nfs/dbraw/zinc/48/89/40/377488940.db2.gz WLTLZHFVVMVHGB-UHFFFAOYSA-N -1 0 294.698 2.081 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)C2CC2)n1 ZINC000565034723 377537687 /nfs/dbraw/zinc/53/76/87/377537687.db2.gz FHOIMMUTKDBCDI-SSDOTTSWSA-N -1 0 265.269 2.207 20 5 CEBDRM Cc1cc(NC[C@@H](O)C2CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567052018 377796628 /nfs/dbraw/zinc/79/66/28/377796628.db2.gz JXHBMNROPGAHPH-CYBMUJFWSA-N -1 0 294.307 2.174 20 5 CEBDRM CC(C)O[N-]C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000294096263 377902503 /nfs/dbraw/zinc/90/25/03/377902503.db2.gz MKVZDWIGZJBZJI-UHFFFAOYSA-N -1 0 270.310 2.143 20 5 CEBDRM COC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000339084121 285238983 /nfs/dbraw/zinc/23/89/83/285238983.db2.gz QRHZPQILHSQDIU-GFCCVEGCSA-N -1 0 292.291 2.371 20 5 CEBDRM Cc1cc([N-]c2ncc([N+](=O)[O-])cn2)nn1[C@H](C)C1CC1 ZINC000354572465 220815067 /nfs/dbraw/zinc/81/50/67/220815067.db2.gz IDOASOLFWTXBIY-SECBINFHSA-N -1 0 288.311 2.026 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000263558285 131297575 /nfs/dbraw/zinc/29/75/75/131297575.db2.gz AEIGDSJKZFNPLR-SNVBAGLBSA-N -1 0 294.307 2.065 20 5 CEBDRM CCc1noc(C)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119367763 394767468 /nfs/dbraw/zinc/76/74/68/394767468.db2.gz MCMLTWBUVRMTTL-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000274603283 394798870 /nfs/dbraw/zinc/79/88/70/394798870.db2.gz FLSRBQBHUQUOTJ-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM O=C(Nc1cccc2c[nH]nc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000130373400 394886503 /nfs/dbraw/zinc/88/65/03/394886503.db2.gz CCTDAVPLKPJRFG-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CO[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC(C)C ZINC000416262053 395041260 /nfs/dbraw/zinc/04/12/60/395041260.db2.gz NSVVOQSGLCVHSU-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436998218 395172101 /nfs/dbraw/zinc/17/21/01/395172101.db2.gz IJHXARQFQNPAAH-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000182174150 395235429 /nfs/dbraw/zinc/23/54/29/395235429.db2.gz QRVQFBGACSIQPT-ZJUUUORDSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000399534443 395246939 /nfs/dbraw/zinc/24/69/39/395246939.db2.gz HVGUFQKCTXAMEB-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191664715 300062584 /nfs/dbraw/zinc/06/25/84/300062584.db2.gz OPOJXOXVAXAPMQ-IUCAKERBSA-N -1 0 292.291 2.306 20 5 CEBDRM CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000177522943 165200194 /nfs/dbraw/zinc/20/01/94/165200194.db2.gz MKXKPUNSSSZQQH-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccon1 ZINC000181065845 165327590 /nfs/dbraw/zinc/32/75/90/165327590.db2.gz MGCCBQQBGREBSU-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000035407130 172178368 /nfs/dbraw/zinc/17/83/68/172178368.db2.gz ZYFNAAFJZIOZMH-YFKPBYRVSA-N -1 0 278.186 2.499 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H](C)[C@@H](C)O1 ZINC000521050106 260259981 /nfs/dbraw/zinc/25/99/81/260259981.db2.gz ADYFKYSLJPOULK-OPRDCNLKSA-N -1 0 294.307 2.295 20 5 CEBDRM CC(C)C1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000225822772 270309480 /nfs/dbraw/zinc/30/94/80/270309480.db2.gz VMUFAYVTYKXWOX-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NCC1CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000228072420 270312081 /nfs/dbraw/zinc/31/20/81/270312081.db2.gz HBWWOQPVNOYNSA-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000397121249 270351383 /nfs/dbraw/zinc/35/13/83/270351383.db2.gz MXDHGMRHENLYRF-OCCSQVGLSA-N -1 0 278.308 2.465 20 5 CEBDRM CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000436824695 271690606 /nfs/dbraw/zinc/69/06/06/271690606.db2.gz ALPMPKKBHASABI-QMMMGPOBSA-N -1 0 292.213 2.371 20 5 CEBDRM CO[C@@H](C)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000436973150 271698308 /nfs/dbraw/zinc/69/83/08/271698308.db2.gz WLXULIRDSSDYED-JTQLQIEISA-N -1 0 296.323 2.186 20 5 CEBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262971671 280105255 /nfs/dbraw/zinc/10/52/55/280105255.db2.gz MSDXKIVZVFFWJV-CQSZACIVSA-N -1 0 294.307 2.214 20 5 CEBDRM CN(Cc1cscn1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181927251 280108986 /nfs/dbraw/zinc/10/89/86/280108986.db2.gz KLXDYXIORKQSJP-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM CC1(C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181975908 280986970 /nfs/dbraw/zinc/98/69/70/280986970.db2.gz YVTPHECUCIDRLW-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456321712 289586573 /nfs/dbraw/zinc/58/65/73/289586573.db2.gz DITNNAGPPFSILP-QWRGUYRKSA-N -1 0 278.308 2.322 20 5 CEBDRM COCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000457712694 289815862 /nfs/dbraw/zinc/81/58/62/289815862.db2.gz OSAUZCOLUPLVHW-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM Cc1cc(NC[C@@H](C)CCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522060728 297654367 /nfs/dbraw/zinc/65/43/67/297654367.db2.gz POACIZTXHMRKBH-QMMMGPOBSA-N -1 0 282.296 2.032 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CS[C@H](C)C2)n1 ZINC000567355983 299056771 /nfs/dbraw/zinc/05/67/71/299056771.db2.gz YMCBJQRAAOVFOS-HTQZYQBOSA-N -1 0 297.336 2.302 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182101620 300062913 /nfs/dbraw/zinc/06/29/13/300062913.db2.gz FJQPFBXJXBDUOR-IUCAKERBSA-N -1 0 264.281 2.313 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000188066727 300063432 /nfs/dbraw/zinc/06/34/32/300063432.db2.gz WSFDUXNJBNSPQP-IUCAKERBSA-N -1 0 264.281 2.313 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000263215803 301206909 /nfs/dbraw/zinc/20/69/09/301206909.db2.gz OCOJDHUBLWYABL-QMMMGPOBSA-N -1 0 294.307 2.052 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000435998808 313018622 /nfs/dbraw/zinc/01/86/22/313018622.db2.gz GZDSGKBGENNTSS-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM COC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000514732128 313054441 /nfs/dbraw/zinc/05/44/41/313054441.db2.gz BXYWXYWLPCRPON-UHFFFAOYSA-N -1 0 282.296 2.059 20 5 CEBDRM Cc1cc(NC[C@](C)(O)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515655843 313075352 /nfs/dbraw/zinc/07/53/52/313075352.db2.gz RYIQFUYKYICRPJ-AWEZNQCLSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1cc(NC[C@H](O)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576587396 314291677 /nfs/dbraw/zinc/29/16/77/314291677.db2.gz DEAIRRKYLBSBHG-NSHDSACASA-N -1 0 282.296 2.030 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)C[C@H]2C)n1 ZINC000576994092 314330779 /nfs/dbraw/zinc/33/07/79/314330779.db2.gz JISYYKXKGCUDGP-VXNVDRBHSA-N -1 0 279.296 2.231 20 5 CEBDRM CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000577377759 314369799 /nfs/dbraw/zinc/36/97/99/314369799.db2.gz ZHAWXVCVMPRZIE-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000580567547 322327163 /nfs/dbraw/zinc/32/71/63/322327163.db2.gz CWOIPJLKQFPEDE-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM COC[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000395969565 329299026 /nfs/dbraw/zinc/29/90/26/329299026.db2.gz OFBPROBWUICUQD-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@@H](CCO)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397773686 329393108 /nfs/dbraw/zinc/39/31/08/329393108.db2.gz WFKFYBBBYKNSIB-SECBINFHSA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@@H](O)C[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397811088 329397446 /nfs/dbraw/zinc/39/74/46/329397446.db2.gz IZUDTOGCETZYGR-RKDXNWHRSA-N -1 0 282.296 2.112 20 5 CEBDRM CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194739581 527740376 /nfs/dbraw/zinc/74/03/76/527740376.db2.gz LJIJCRVHFXKMCV-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CCOc1cc(N(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044848 528307815 /nfs/dbraw/zinc/30/78/15/528307815.db2.gz NEIKBWVQXWVDQN-SECBINFHSA-N -1 0 282.296 2.150 20 5 CEBDRM CCOc1cc(N2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111045099 528312550 /nfs/dbraw/zinc/31/25/50/528312550.db2.gz DJKPCRLQSMRDBJ-CQSZACIVSA-N -1 0 294.307 2.295 20 5 CEBDRM O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2CC(=O)[O-])o1 ZINC000874973203 649878175 /nfs/dbraw/zinc/87/81/75/649878175.db2.gz XDVNAINSWYMSQM-UHFFFAOYSA-N -1 0 275.216 2.294 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000739927451 574432509 /nfs/dbraw/zinc/43/25/09/574432509.db2.gz IJXVJWXMNTZNDK-QMMMGPOBSA-N -1 0 283.259 2.288 20 5 CEBDRM CC(C)[C@H](CNc1ccccc1[N+](=O)[O-])NC(=O)[O-] ZINC000738788735 574714611 /nfs/dbraw/zinc/71/46/11/574714611.db2.gz KLDOQZDCFCJGAL-JTQLQIEISA-N -1 0 267.285 2.299 20 5 CEBDRM CCOC(=O)CCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000737136843 574812644 /nfs/dbraw/zinc/81/26/44/574812644.db2.gz PGGHVYKUQCBWRV-UHFFFAOYSA-N -1 0 297.263 2.015 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000737939338 574848311 /nfs/dbraw/zinc/84/83/11/574848311.db2.gz QNNASQONECKPJT-UHFFFAOYSA-N -1 0 279.296 2.173 20 5 CEBDRM Cc1c(NC(=O)[C@H](NC(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000738298328 574857233 /nfs/dbraw/zinc/85/72/33/574857233.db2.gz AQEYGMFMKWLYOA-LLVKDONJSA-N -1 0 295.295 2.134 20 5 CEBDRM C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739198181 574899188 /nfs/dbraw/zinc/89/91/88/574899188.db2.gz LCOOTMZOFGSTLT-YUMQZZPRSA-N -1 0 285.325 2.139 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NCc2cocn2)c([N+](=O)[O-])c1 ZINC000739625779 574929011 /nfs/dbraw/zinc/92/90/11/574929011.db2.gz RGOSXHZXVPALHP-DUXPYHPUSA-N -1 0 289.247 2.293 20 5 CEBDRM CN(C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739663801 574930112 /nfs/dbraw/zinc/93/01/12/574930112.db2.gz MKZJKAPTLGYCGW-VIFPVBQESA-N -1 0 297.286 2.170 20 5 CEBDRM CN(C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665712 574930188 /nfs/dbraw/zinc/93/01/88/574930188.db2.gz ZZJHBKGEXGKWSQ-JTQLQIEISA-N -1 0 279.296 2.031 20 5 CEBDRM Cc1cc(N[C@@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740091888 574941887 /nfs/dbraw/zinc/94/18/87/574941887.db2.gz UDZLHUWHBWHAAQ-SNVBAGLBSA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NCC[C@H](C)NC(=O)[O-] ZINC000740174914 574945526 /nfs/dbraw/zinc/94/55/26/574945526.db2.gz ONPVKJNNCMMKAV-VIFPVBQESA-N -1 0 267.285 2.361 20 5 CEBDRM O=C([O-])N1CCC(CSc2ncccc2[N+](=O)[O-])CC1 ZINC000740503446 574956637 /nfs/dbraw/zinc/95/66/37/574956637.db2.gz ZAQRNMBQJRIRKU-UHFFFAOYSA-N -1 0 297.336 2.472 20 5 CEBDRM O=C([O-])N1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000740515226 574957342 /nfs/dbraw/zinc/95/73/42/574957342.db2.gz NJLUEUHXSQHPEG-SNVBAGLBSA-N -1 0 279.296 2.397 20 5 CEBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000070198323 598164627 /nfs/dbraw/zinc/16/46/27/598164627.db2.gz CBDRAWLLQJRWIJ-UHFFFAOYSA-N -1 0 283.240 2.170 20 5 CEBDRM CSCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000228643062 600936091 /nfs/dbraw/zinc/93/60/91/600936091.db2.gz KRSWJWNTMWWMIW-UHFFFAOYSA-N -1 0 271.294 2.425 20 5 CEBDRM CC(C)C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000826813198 600955415 /nfs/dbraw/zinc/95/54/15/600955415.db2.gz MZLRTBSAECIXSI-LBPRGKRZSA-N -1 0 295.291 2.180 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2ccc([N+](=O)[O-])cn2)c[nH]1 ZINC000833297464 601794544 /nfs/dbraw/zinc/79/45/44/601794544.db2.gz GONHEZKMZTZYKQ-UPHRSURJSA-N -1 0 259.221 2.187 20 5 CEBDRM O=C([O-])c1cccc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000821552497 601933954 /nfs/dbraw/zinc/93/39/54/601933954.db2.gz QQGJTKIWARTYHD-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM Cc1ccc(NCC[C@@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830395151 603443423 /nfs/dbraw/zinc/44/34/23/603443423.db2.gz CANVGPJBXDQLNR-SECBINFHSA-N -1 0 267.285 2.361 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCCN(C(=O)[O-])CC2)c1 ZINC000830428160 603549689 /nfs/dbraw/zinc/54/96/89/603549689.db2.gz SPGBJIPYBMFKCT-UHFFFAOYSA-N -1 0 279.296 2.093 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000825637582 603565407 /nfs/dbraw/zinc/56/54/07/603565407.db2.gz DVUGVWFHLCFBDG-WDEREUQCSA-N -1 0 293.323 2.340 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)[C@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000830257135 603965089 /nfs/dbraw/zinc/96/50/89/603965089.db2.gz RWYPGGYBJPCKBP-IUCAKERBSA-N -1 0 296.279 2.164 20 5 CEBDRM C[C@H](CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824721405 603979265 /nfs/dbraw/zinc/97/92/65/603979265.db2.gz SHGBTUHZQRNUHC-RKDXNWHRSA-N -1 0 296.279 2.245 20 5 CEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000833419170 604874332 /nfs/dbraw/zinc/87/43/32/604874332.db2.gz HMCMYDIBXGHANL-SNVBAGLBSA-N -1 0 293.323 2.317 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC2CCC(NC(=O)[O-])CC2)n1 ZINC000830427870 604901502 /nfs/dbraw/zinc/90/15/02/604901502.db2.gz PDDIBRLRXYEOOW-UHFFFAOYSA-N -1 0 294.311 2.289 20 5 CEBDRM CC(C)(CNc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000232516275 604949542 /nfs/dbraw/zinc/94/95/42/604949542.db2.gz NOVIXNVASQKRDJ-UHFFFAOYSA-N -1 0 274.223 2.396 20 5 CEBDRM CC(C)C[C@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000232611905 605181071 /nfs/dbraw/zinc/18/10/71/605181071.db2.gz BSOONFLJBBRKAH-JTQLQIEISA-N -1 0 282.296 2.112 20 5 CEBDRM CCc1cc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[nH]n1 ZINC000833671184 605184895 /nfs/dbraw/zinc/18/48/95/605184895.db2.gz HETAYQYNYONWOA-UHFFFAOYSA-N -1 0 290.279 2.191 20 5 CEBDRM Cc1ccc(N2CCC[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830346969 605342723 /nfs/dbraw/zinc/34/27/23/605342723.db2.gz LRXWOPSBXZWFRN-JTQLQIEISA-N -1 0 279.296 2.140 20 5 CEBDRM O=C([O-])NC1(CNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000834155563 605362767 /nfs/dbraw/zinc/36/27/67/605362767.db2.gz LUTTZHYLRCIFCW-UHFFFAOYSA-N -1 0 283.259 2.336 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1F ZINC000825844852 605487970 /nfs/dbraw/zinc/48/79/70/605487970.db2.gz MQAMBSTXAOASQN-RKDXNWHRSA-N -1 0 297.286 2.359 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000825846574 605491436 /nfs/dbraw/zinc/49/14/36/605491436.db2.gz WHIDPCUAQWZPIT-WPRPVWTQSA-N -1 0 297.286 2.359 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000833820670 605499687 /nfs/dbraw/zinc/49/96/87/605499687.db2.gz ZJOLGLJWVYNUDM-DTWKUNHWSA-N -1 0 297.286 2.216 20 5 CEBDRM CCOc1cc(N(C)[C@@H](C)CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861542 605727263 /nfs/dbraw/zinc/72/72/63/605727263.db2.gz LMTJPFRSVLSRLU-VIFPVBQESA-N -1 0 297.311 2.086 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000120865841 622957625 /nfs/dbraw/zinc/95/76/25/622957625.db2.gz UNJDPVWYCFFQRQ-UHFFFAOYSA-N -1 0 293.191 2.054 20 5 CEBDRM CS[C@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235259420 625180093 /nfs/dbraw/zinc/18/00/93/625180093.db2.gz ZLWZMUWSUIEXPB-SCZZXKLOSA-N -1 0 296.348 2.314 20 5 CEBDRM CCn1cnnc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000840078214 631786792 /nfs/dbraw/zinc/78/67/92/631786792.db2.gz OTJPDAITUXBMNM-UHFFFAOYSA-N -1 0 280.309 2.204 20 5 CEBDRM CC(C)OCCON=c1[n-]cc([N+](=O)[O-])cc1Cl ZINC000812489264 632537783 /nfs/dbraw/zinc/53/77/83/632537783.db2.gz WLRBJYJHVVYADG-UHFFFAOYSA-N -1 0 275.692 2.412 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000834650696 637904805 /nfs/dbraw/zinc/90/48/05/637904805.db2.gz QTWBTZJCIVDTDM-RKDXNWHRSA-N -1 0 296.348 2.314 20 5 CEBDRM CO[C@@H]1CC[C@@H]1N(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000910387994 638033033 /nfs/dbraw/zinc/03/30/33/638033033.db2.gz BURZEXWAXDJOIL-GXFFZTMASA-N -1 0 294.307 2.215 20 5 CEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])s1 ZINC000910454246 638057822 /nfs/dbraw/zinc/05/78/22/638057822.db2.gz MWZQVVXEBZKTFR-LAEOZQHASA-N -1 0 282.321 2.346 20 5 CEBDRM CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C12CCC2 ZINC000835884458 638444158 /nfs/dbraw/zinc/44/41/58/638444158.db2.gz OKBNBMGIDJZYRX-ZJUUUORDSA-N -1 0 280.280 2.037 20 5 CEBDRM CCO[C@@H](CC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837466041 639240548 /nfs/dbraw/zinc/24/05/48/639240548.db2.gz JMOJRTMFEYSFNT-LBPRGKRZSA-N -1 0 283.280 2.159 20 5 CEBDRM O=C(C[C@H]1CCCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837571237 639287973 /nfs/dbraw/zinc/28/79/73/639287973.db2.gz RVUMSTRDABAQSP-GFCCVEGCSA-N -1 0 295.291 2.303 20 5 CEBDRM C[C@H]1COCC[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837672591 639336437 /nfs/dbraw/zinc/33/64/37/639336437.db2.gz DWQIJKDRWFFWNH-CABZTGNLSA-N -1 0 295.291 2.016 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000841495014 639777594 /nfs/dbraw/zinc/77/75/94/639777594.db2.gz IMQVUMJDNBZMDW-CQSZACIVSA-N -1 0 292.291 2.098 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000843035943 640245517 /nfs/dbraw/zinc/24/55/17/640245517.db2.gz FNEPBUYICYIODC-SFYZADRCSA-N -1 0 295.251 2.168 20 5 CEBDRM CCON(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000844081683 640598635 /nfs/dbraw/zinc/59/86/35/640598635.db2.gz FNOAGJMEIRGCPD-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM CC[C@@H](Sc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000844207044 640632399 /nfs/dbraw/zinc/63/23/99/640632399.db2.gz SXVBRMJSEYXMMG-MRVPVSSYSA-N -1 0 256.283 2.132 20 5 CEBDRM C[C@H]1CCCN1c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209635 640632886 /nfs/dbraw/zinc/63/28/86/640632886.db2.gz XEBZDAJZTZOCGM-VIFPVBQESA-N -1 0 264.281 2.211 20 5 CEBDRM C[C@H](O)CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211809 640633765 /nfs/dbraw/zinc/63/37/65/640633765.db2.gz ZUBZWGBQZXINRK-STUBTGCMSA-N -1 0 294.307 2.266 20 5 CEBDRM CCOCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000917082810 640846800 /nfs/dbraw/zinc/84/68/00/640846800.db2.gz VJMVKLMMQIVMKP-XQRVVYSFSA-N -1 0 280.280 2.141 20 5 CEBDRM CO[C@@]1(C)C[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000851705689 643116882 /nfs/dbraw/zinc/11/68/82/643116882.db2.gz SFXRWINHEVQDLY-LJXYTEIVSA-N -1 0 292.291 2.282 20 5 CEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc[nH]1 ZINC000760957167 645217021 /nfs/dbraw/zinc/21/70/21/645217021.db2.gz HWCLSRMBSIZEJX-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM CC(=O)c1ccc(N[C@@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000863478152 646737892 /nfs/dbraw/zinc/73/78/92/646737892.db2.gz CRLKDDDPMXWSLX-LLVKDONJSA-N -1 0 290.275 2.383 20 5 CEBDRM O=C(COc1ccc([N+](=O)[O-])cc1)[N-]Oc1ccccc1 ZINC000773465757 646743046 /nfs/dbraw/zinc/74/30/46/646743046.db2.gz LKKALNBFFQBWJN-UHFFFAOYSA-N -1 0 288.259 2.084 20 5 CEBDRM CC(C)O[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868659187 648215316 /nfs/dbraw/zinc/21/53/16/648215316.db2.gz SNPHGCNQVBKCHL-UHFFFAOYSA-N -1 0 278.308 2.473 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000869599655 648528197 /nfs/dbraw/zinc/52/81/97/648528197.db2.gz DELLMLROWWADBS-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)n1 ZINC000871867791 649203450 /nfs/dbraw/zinc/20/34/50/649203450.db2.gz NCKYBEXYVJDNCG-SMDDNHRTSA-N -1 0 291.307 2.132 20 5 CEBDRM C[C@@H]1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000132961225 652578588 /nfs/dbraw/zinc/57/85/88/652578588.db2.gz QNRMRMDLTSWJQQ-VXNVDRBHSA-N -1 0 265.269 2.289 20 5 CEBDRM CC1(C)CCC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C1 ZINC001226335110 805581759 /nfs/dbraw/zinc/58/17/59/805581759.db2.gz CZVUAJDSAQKPOH-QMMMGPOBSA-N -1 0 267.285 2.438 20 5 CEBDRM Cc1cc(N[C@H]2C[C@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000693041422 802569899 /nfs/dbraw/zinc/56/98/99/802569899.db2.gz RFMOQTAAQVFIDX-ZKCHVHJHSA-N -1 0 268.244 2.317 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000704787467 809752193 /nfs/dbraw/zinc/75/21/93/809752193.db2.gz XXXFEYHPUBRJQH-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N[C@H]2CC=C(C(=O)[O-])C2)c1 ZINC000694875208 803592734 /nfs/dbraw/zinc/59/27/34/803592734.db2.gz NTKBCLFFAILSII-VIFPVBQESA-N -1 0 278.264 2.189 20 5 CEBDRM Cc1ccnc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119991819 810794265 /nfs/dbraw/zinc/79/42/65/810794265.db2.gz WLTZNKVYJSZYCQ-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM CCOc1cc([N+](=O)[O-])ccc1NCc1cc(=O)[n-]o1 ZINC001169485439 811531216 /nfs/dbraw/zinc/53/12/16/811531216.db2.gz MWKDUINEPGIVQA-UHFFFAOYSA-N -1 0 279.252 2.299 20 5 CEBDRM C[C@H]1CCC[C@H](C)N1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000217316266 813327502 /nfs/dbraw/zinc/32/75/02/813327502.db2.gz ULICVJLFUBRONB-UWVGGRQHSA-N -1 0 293.323 2.208 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccc(O)cc2O)cc1[N+](=O)[O-] ZINC001174504655 816030222 /nfs/dbraw/zinc/03/02/22/816030222.db2.gz WMGZLVDZZMDPJF-UHFFFAOYSA-N -1 0 290.231 2.448 20 5 CEBDRM O=C([O-])c1ccc(Nc2nccn3ccnc23)cc1[N+](=O)[O-] ZINC001174503802 816030407 /nfs/dbraw/zinc/03/04/07/816030407.db2.gz YRUKBUXPXYQPAP-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM O=C([O-])c1cc(Nc2ccc(O)cc2O)cc([N+](=O)[O-])c1 ZINC001176677522 816453813 /nfs/dbraw/zinc/45/38/13/816453813.db2.gz XUNMYBSLEFKMLV-UHFFFAOYSA-N -1 0 290.231 2.448 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000036337557 361841423 /nfs/dbraw/zinc/84/14/23/361841423.db2.gz NLEAIKLDMVGMOB-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM O=c1c2c([n-]n1-c1cccc([N+](=O)[O-])c1)CCSC2 ZINC000601933340 346930345 /nfs/dbraw/zinc/93/03/45/346930345.db2.gz YVDLQJMERXWHAE-JTQLQIEISA-N -1 0 277.305 2.051 20 5 CEBDRM CC[C@H](C)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601958799 346943189 /nfs/dbraw/zinc/94/31/89/346943189.db2.gz PFOCYAAGZKXFOL-VIFPVBQESA-N -1 0 261.281 2.330 20 5 CEBDRM CC(C)c1ccc(CN=c2[n-]nco2)cc1[N+](=O)[O-] ZINC000351232363 219086715 /nfs/dbraw/zinc/08/67/15/219086715.db2.gz XUSSVAJEMITCIV-UHFFFAOYSA-N -1 0 262.269 2.135 20 5 CEBDRM C[C@H]1C[C@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567981361 299104761 /nfs/dbraw/zinc/10/47/61/299104761.db2.gz HHPFTRPDKARZQY-WPRPVWTQSA-N -1 0 264.281 2.290 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCOCC2)c1 ZINC000131408429 344357850 /nfs/dbraw/zinc/35/78/50/344357850.db2.gz KHRRCLKYQMITPM-UHFFFAOYSA-N -1 0 294.307 2.197 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CCC(CC(=O)[O-])CC2)c1 ZINC000133742398 344370296 /nfs/dbraw/zinc/37/02/96/344370296.db2.gz ULTQDWOQWROUFU-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cccc(NC[C@@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000134889531 344378867 /nfs/dbraw/zinc/37/88/67/344378867.db2.gz OGDWGCPWCZEROY-QMMMGPOBSA-N -1 0 268.269 2.126 20 5 CEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000134986297 344379182 /nfs/dbraw/zinc/37/91/82/344379182.db2.gz WLOPNSQJGLLKCN-SNVBAGLBSA-N -1 0 293.323 2.317 20 5 CEBDRM COc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000136444797 344385255 /nfs/dbraw/zinc/38/52/55/344385255.db2.gz LQSWZZZKQCBCIT-MRVPVSSYSA-N -1 0 296.279 2.043 20 5 CEBDRM CC1(C)C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000166828141 344477502 /nfs/dbraw/zinc/47/75/02/344477502.db2.gz IOAUFNIBLDFAPH-QMMMGPOBSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCC(=O)[O-] ZINC000591352956 345242519 /nfs/dbraw/zinc/24/25/19/345242519.db2.gz USRJWVJBSUSSRO-UHFFFAOYSA-N -1 0 295.295 2.280 20 5 CEBDRM O=C([O-])c1ccnc(N2CC[C@@H](CC3CC3)C2)c1[N+](=O)[O-] ZINC000592979356 345417665 /nfs/dbraw/zinc/41/76/65/345417665.db2.gz ZPQFIQOWBARIOZ-JTQLQIEISA-N -1 0 291.307 2.314 20 5 CEBDRM C[C@@H](F)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979572 345418531 /nfs/dbraw/zinc/41/85/31/345418531.db2.gz VINAFIHEHKCZDP-SSDOTTSWSA-N -1 0 256.233 2.453 20 5 CEBDRM O=C([O-])CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000592980972 345418601 /nfs/dbraw/zinc/41/86/01/345418601.db2.gz CLUGNHVZTRERKN-UHFFFAOYSA-N -1 0 270.310 2.347 20 5 CEBDRM Cc1nc(CSCc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000593187118 345451609 /nfs/dbraw/zinc/45/16/09/345451609.db2.gz FXLRRFBRCWOBOG-UHFFFAOYSA-N -1 0 281.293 2.425 20 5 CEBDRM C[C@@]1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1(F)F ZINC000594736036 345682041 /nfs/dbraw/zinc/68/20/41/345682041.db2.gz NZFPHOYTYGABTN-JTQLQIEISA-N -1 0 287.222 2.145 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc1 ZINC000164147732 232261678 /nfs/dbraw/zinc/26/16/78/232261678.db2.gz WWPXLHKQNRAVPB-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1NCCCCC(=O)[O-] ZINC000595970143 345919000 /nfs/dbraw/zinc/91/90/00/345919000.db2.gz UWINBKWJJSUBSF-UHFFFAOYSA-N -1 0 268.269 2.270 20 5 CEBDRM CN(C[C@H]1CC1(C)C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000596027549 345924904 /nfs/dbraw/zinc/92/49/04/345924904.db2.gz ZZWBPCPUVCDUQP-MRVPVSSYSA-N -1 0 279.296 2.170 20 5 CEBDRM Cc1cncc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000175920438 232319625 /nfs/dbraw/zinc/31/96/25/232319625.db2.gz ZUQOJUIYODLRNO-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCCC(C)(C)C(=O)[O-] ZINC000312753100 201911854 /nfs/dbraw/zinc/91/18/54/201911854.db2.gz LDAXOMKZYMLNFN-UHFFFAOYSA-N -1 0 284.316 2.032 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000597828739 346236980 /nfs/dbraw/zinc/23/69/80/346236980.db2.gz IYAZZUTUIIWTJJ-CABZTGNLSA-N -1 0 276.292 2.315 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598550469 346373529 /nfs/dbraw/zinc/37/35/29/346373529.db2.gz KUZQCDLXVMVAGL-SECBINFHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598904743 346432840 /nfs/dbraw/zinc/43/28/40/346432840.db2.gz FCZZIAMLQWJLOV-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1Cn1ccnc1C1CC1 ZINC000600611656 346661887 /nfs/dbraw/zinc/66/18/87/346661887.db2.gz SSKOCIUPMLYXHZ-UHFFFAOYSA-N -1 0 259.265 2.423 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnoc2)c1C ZINC000610799714 347715554 /nfs/dbraw/zinc/71/55/54/347715554.db2.gz VCLVTQVPLKEAMZ-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1F ZINC000611506803 347787539 /nfs/dbraw/zinc/78/75/39/347787539.db2.gz ROKCDUGFFUBVTH-WCBMZHEXSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(CCCC(=O)C1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000450390380 282585817 /nfs/dbraw/zinc/58/58/17/282585817.db2.gz LFOALONRQQFNQX-UHFFFAOYSA-N -1 0 292.291 2.388 20 5 CEBDRM CC[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000087510097 179437474 /nfs/dbraw/zinc/43/74/74/179437474.db2.gz JJMYXFCFDHVVKU-SECBINFHSA-N -1 0 252.270 2.426 20 5 CEBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000617767705 348786083 /nfs/dbraw/zinc/78/60/83/348786083.db2.gz YOXWODXHRAMVKX-QMMMGPOBSA-N -1 0 292.291 2.211 20 5 CEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)F ZINC000619421826 349176426 /nfs/dbraw/zinc/17/64/26/349176426.db2.gz HRJXUJFKXXMEIK-UHFFFAOYSA-N -1 0 274.223 2.074 20 5 CEBDRM CCC[C@H](OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450536757 282651475 /nfs/dbraw/zinc/65/14/75/282651475.db2.gz BBNIOASCGFACAE-NSHDSACASA-N -1 0 268.269 2.054 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000352129883 219331374 /nfs/dbraw/zinc/33/13/74/219331374.db2.gz VKOJEKAVOVHWRK-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000352129194 219331525 /nfs/dbraw/zinc/33/15/25/219331525.db2.gz OGKAWNQDCURKRV-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM COc1cc(NCCCCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000070200261 363054875 /nfs/dbraw/zinc/05/48/75/363054875.db2.gz VDUGBQLVXVTPPM-UHFFFAOYSA-N -1 0 286.259 2.409 20 5 CEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000137658161 187900275 /nfs/dbraw/zinc/90/02/75/187900275.db2.gz SRLUFPMABKFQGT-UHFFFAOYSA-N -1 0 267.285 2.293 20 5 CEBDRM CCCCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159974809 188449008 /nfs/dbraw/zinc/44/90/08/188449008.db2.gz ISOMGGHLDHUKAS-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM Cc1c(NC(=O)CC(C)(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000078880081 363552590 /nfs/dbraw/zinc/55/25/90/363552590.db2.gz GJRWXSJAESQZEN-UHFFFAOYSA-N -1 0 280.280 2.343 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CC=CCC2)n1 ZINC000570399099 299257381 /nfs/dbraw/zinc/25/73/81/299257381.db2.gz ANKHVCOPOUGBJX-SNVBAGLBSA-N -1 0 291.307 2.187 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137089384 366535405 /nfs/dbraw/zinc/53/54/05/366535405.db2.gz VZTFLWCHXQEHAB-JOYOIKCWSA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1cc(NCCC(C)(C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579478793 366650940 /nfs/dbraw/zinc/65/09/40/366650940.db2.gz CJVURBZPEOQDIM-UHFFFAOYSA-N -1 0 296.323 2.422 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1cc[nH]n1 ZINC000339133769 366668661 /nfs/dbraw/zinc/66/86/61/366668661.db2.gz OUWFJNRFUIKEDN-CQSZACIVSA-N -1 0 288.307 2.361 20 5 CEBDRM CC(=O)c1ccc(NC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000580080882 366747934 /nfs/dbraw/zinc/74/79/34/366747934.db2.gz VIYSBJSKWUNTBX-QMMMGPOBSA-N -1 0 280.280 2.320 20 5 CEBDRM CC(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000581825807 366824548 /nfs/dbraw/zinc/82/45/48/366824548.db2.gz JKFLSIFXFZDZRM-UHFFFAOYSA-N -1 0 258.661 2.092 20 5 CEBDRM Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000019264864 361524177 /nfs/dbraw/zinc/52/41/77/361524177.db2.gz ZBBNVOTZRUSKOM-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM O=C(CC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541126 363977446 /nfs/dbraw/zinc/97/74/46/363977446.db2.gz JKJRECAYJIKDIE-UHFFFAOYSA-N -1 0 264.159 2.191 20 5 CEBDRM CC1=C(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCO1 ZINC000092549153 364080887 /nfs/dbraw/zinc/08/08/87/364080887.db2.gz WNKVCVXBPAGCIH-UHFFFAOYSA-N -1 0 278.264 2.323 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C1CCCCC1 ZINC000188642296 189508549 /nfs/dbraw/zinc/50/85/49/189508549.db2.gz PPMFLKYSCQUSMJ-ZDUSSCGKSA-N -1 0 294.307 2.180 20 5 CEBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])n1ccnc1 ZINC000582379073 366903624 /nfs/dbraw/zinc/90/36/24/366903624.db2.gz CJSXFULPULNYAZ-SECBINFHSA-N -1 0 290.279 2.087 20 5 CEBDRM CC(=O)c1cc(N2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000583874652 367108719 /nfs/dbraw/zinc/10/87/19/367108719.db2.gz CGSGFBLWMUDERI-SNVBAGLBSA-N -1 0 292.291 2.241 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000584447247 367158490 /nfs/dbraw/zinc/15/84/90/367158490.db2.gz CLDBUAIKAQSMNL-KXMPLOMGSA-N -1 0 293.279 2.136 20 5 CEBDRM Cc1c(CC(=O)NO[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000164246577 367281030 /nfs/dbraw/zinc/28/10/30/367281030.db2.gz NBQPIDXWJOKQMB-CQSZACIVSA-N -1 0 294.307 2.020 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCS1 ZINC000166153733 367319768 /nfs/dbraw/zinc/31/97/68/367319768.db2.gz HQMFKBZLOVABMI-JTQLQIEISA-N -1 0 268.294 2.135 20 5 CEBDRM Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)o1 ZINC000343874028 368052564 /nfs/dbraw/zinc/05/25/64/368052564.db2.gz HWIWUZLQAJRTKD-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM CCOC(=O)c1cc[n-]c(=NOCC(C)C)c1[N+](=O)[O-] ZINC000276195982 193239554 /nfs/dbraw/zinc/23/95/54/193239554.db2.gz HWKAGHUNNHVTOW-UHFFFAOYSA-N -1 0 283.284 2.166 20 5 CEBDRM COC(C)(C)C[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353253454 370098396 /nfs/dbraw/zinc/09/83/96/370098396.db2.gz ATCKIRVGCGIKDP-VIFPVBQESA-N -1 0 296.323 2.234 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234602575 370538256 /nfs/dbraw/zinc/53/82/56/370538256.db2.gz VDWCYJLRBREJDY-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233850592 370526652 /nfs/dbraw/zinc/52/66/52/370526652.db2.gz FPXUCCNROVRIFD-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561339 370592199 /nfs/dbraw/zinc/59/21/99/370592199.db2.gz IXLWXGXCKLVFFR-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236637741 370600007 /nfs/dbraw/zinc/60/00/07/370600007.db2.gz VBGCKXORPOBJOY-QMMMGPOBSA-N -1 0 280.280 2.067 20 5 CEBDRM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000361653852 372005774 /nfs/dbraw/zinc/00/57/74/372005774.db2.gz JIPHSUQLDXBRAI-RXMQYKEDSA-N -1 0 278.186 2.437 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2cc[nH]c2n1 ZINC000361655528 372006447 /nfs/dbraw/zinc/00/64/47/372006447.db2.gz PYEILZMFHXDTSG-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OC ZINC000362977114 372601801 /nfs/dbraw/zinc/60/18/01/372601801.db2.gz OSNIMSYPBUROJY-TVQRCGJNSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@H]1OCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277449330 374524319 /nfs/dbraw/zinc/52/43/19/374524319.db2.gz XIAZNTDPEXVPCL-ZWNOBZJWSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H]1c1cccnc1 ZINC000378422889 375097866 /nfs/dbraw/zinc/09/78/66/375097866.db2.gz KNPQXUOEHPHYGK-NEPJUHHUSA-N -1 0 299.286 2.438 20 5 CEBDRM O=C(N[C@H]1CC=CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280921878 375344267 /nfs/dbraw/zinc/34/42/67/375344267.db2.gz JOSVFAYFSKBHLU-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408377295 375465196 /nfs/dbraw/zinc/46/51/96/375465196.db2.gz ZVXYCBJWHCLDDD-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H]1C ZINC000416319517 376038492 /nfs/dbraw/zinc/03/84/92/376038492.db2.gz HXRIZXAPPMIALE-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262131977 190048871 /nfs/dbraw/zinc/04/88/71/190048871.db2.gz JXQSTBJTDAXYKI-UHFFFAOYSA-N -1 0 294.307 2.358 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000287987081 376355208 /nfs/dbraw/zinc/35/52/08/376355208.db2.gz HEDUZBCTJOXROA-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000290639358 376862065 /nfs/dbraw/zinc/86/20/65/376862065.db2.gz MMEPBQPZDJYSBA-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM O=C([O-])c1csc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000564031050 377338134 /nfs/dbraw/zinc/33/81/34/377338134.db2.gz UHAWLUMQXVHEDJ-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184684178 249334467 /nfs/dbraw/zinc/33/44/67/249334467.db2.gz RFHPHAQDAYJBGG-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CC[C@H](C)CONC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000293677767 377693094 /nfs/dbraw/zinc/69/30/94/377693094.db2.gz JBKAUGDTQFFEAB-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281098827 296310096 /nfs/dbraw/zinc/31/00/96/296310096.db2.gz FQAKZTYGVAGMEB-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM CCc1nn(C)c(NC[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000094703222 184843934 /nfs/dbraw/zinc/84/39/34/184843934.db2.gz GTOUZPXFTWIMRO-SECBINFHSA-N -1 0 298.343 2.050 20 5 CEBDRM CO[C@@H](C)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000356831088 394625087 /nfs/dbraw/zinc/62/50/87/394625087.db2.gz QLFKWQFEOABOJY-JTQLQIEISA-N -1 0 296.323 2.186 20 5 CEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000130328842 394885569 /nfs/dbraw/zinc/88/55/69/394885569.db2.gz LKCFOQQMMKYYHE-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000416319522 395054513 /nfs/dbraw/zinc/05/45/13/395054513.db2.gz HXRIZXAPPMIALE-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cncs1 ZINC000436977740 395169767 /nfs/dbraw/zinc/16/97/67/395169767.db2.gz FLAWTHAWEQYVMY-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM CC1(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436989039 395171581 /nfs/dbraw/zinc/17/15/81/395171581.db2.gz NAUFBXIYMTTYFU-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CC[C@@H](F)C3)[n-]2)cc1 ZINC000340874980 304801809 /nfs/dbraw/zinc/80/18/09/304801809.db2.gz LCLXGZKKUKUTAH-NXEZZACHSA-N -1 0 292.270 2.369 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000194739418 395447792 /nfs/dbraw/zinc/44/77/92/395447792.db2.gz VOLHBLRSUVVYPR-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000195324578 395464535 /nfs/dbraw/zinc/46/45/35/395464535.db2.gz RWYORTDDVRBOFT-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM Cc1cc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566009721 395495067 /nfs/dbraw/zinc/49/50/67/395495067.db2.gz IIKWJHOSGIUSQC-JOYOIKCWSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000574522131 395631489 /nfs/dbraw/zinc/63/14/89/395631489.db2.gz PPJHIWQXETVCSS-HRDYMLBCSA-N -1 0 277.280 2.289 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NCCCCF)[n-]2)cc1 ZINC000359965786 155180851 /nfs/dbraw/zinc/18/08/51/155180851.db2.gz FSKWQEUBDCFVJT-UHFFFAOYSA-N -1 0 280.259 2.228 20 5 CEBDRM COC[C@@H](C)[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000360764597 155365211 /nfs/dbraw/zinc/36/52/11/155365211.db2.gz QLCIZMWDONZXEI-BDAKNGLRSA-N -1 0 282.296 2.158 20 5 CEBDRM CCC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263522949 154110820 /nfs/dbraw/zinc/11/08/20/154110820.db2.gz RXUKRIOZZREASL-SNVBAGLBSA-N -1 0 292.291 2.098 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000359789638 155128536 /nfs/dbraw/zinc/12/85/36/155128536.db2.gz KNVPHNVGIUVKEQ-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM O=C([O-])CSc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343201 172135145 /nfs/dbraw/zinc/13/51/45/172135145.db2.gz GQMSVRGOFCEOOB-UHFFFAOYSA-N -1 0 264.262 2.320 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000044747638 175243014 /nfs/dbraw/zinc/24/30/14/175243014.db2.gz GOMMCIVHDQUMLH-GFCCVEGCSA-N -1 0 294.307 2.132 20 5 CEBDRM CC(C)CSCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000397119390 270351127 /nfs/dbraw/zinc/35/11/27/270351127.db2.gz LRCLMKZADXHLCD-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277827100 280095883 /nfs/dbraw/zinc/09/58/83/280095883.db2.gz XDRJOBLCXGOWNU-GWCFXTLKSA-N -1 0 294.307 2.300 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[C@H]2O)c1 ZINC000211472803 280206928 /nfs/dbraw/zinc/20/69/28/280206928.db2.gz GIGMGMPSUHAKBH-GXFFZTMASA-N -1 0 294.307 2.256 20 5 CEBDRM O=C(/C=C\c1cccnc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000255024475 280465002 /nfs/dbraw/zinc/46/50/02/280465002.db2.gz PQAUHVTZUZIPDB-UTCJRWHESA-N -1 0 285.259 2.347 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000444477834 281607970 /nfs/dbraw/zinc/60/79/70/281607970.db2.gz HUJIXOYZZLAMRY-IUCAKERBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458256677 289904543 /nfs/dbraw/zinc/90/45/43/289904543.db2.gz LPJKZWVNLMQOOA-DVVUODLYSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000408412570 297366464 /nfs/dbraw/zinc/36/64/64/297366464.db2.gz CBRVKYCZONLUOS-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000565400050 298900930 /nfs/dbraw/zinc/90/09/30/298900930.db2.gz OOFWGIMQXRJXIC-KXMPLOMGSA-N -1 0 293.279 2.136 20 5 CEBDRM CC[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000567391149 299059996 /nfs/dbraw/zinc/05/99/96/299059996.db2.gz UMPYYABOZARKAZ-VHSXEESVSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000177142350 299958197 /nfs/dbraw/zinc/95/81/97/299958197.db2.gz JOBAHPSLBXQCQP-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000156471699 299960247 /nfs/dbraw/zinc/96/02/47/299960247.db2.gz DRZPOKFHTLFVTB-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000235634372 300041170 /nfs/dbraw/zinc/04/11/70/300041170.db2.gz HFFJJEDROAMISU-WCBMZHEXSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(N2CC[C@@](C)(C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000312853035 301341472 /nfs/dbraw/zinc/34/14/72/301341472.db2.gz WJSSVCRTCQRUTI-CYBMUJFWSA-N -1 0 282.271 2.343 20 5 CEBDRM CC1(C)CC(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000563450938 313741542 /nfs/dbraw/zinc/74/15/42/313741542.db2.gz VLSOVHNSYQPHMJ-UHFFFAOYSA-N -1 0 292.291 2.211 20 5 CEBDRM COCCCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565036595 313791996 /nfs/dbraw/zinc/79/19/96/313791996.db2.gz VTBWJTBJDXVLSA-UHFFFAOYSA-N -1 0 296.323 2.464 20 5 CEBDRM C[C@@H]1CC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000566975418 313878428 /nfs/dbraw/zinc/87/84/28/313878428.db2.gz CMPYMGREIRXMRD-SCZZXKLOSA-N -1 0 264.281 2.432 20 5 CEBDRM CC1=C[C@@H](C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000576947314 314326644 /nfs/dbraw/zinc/32/66/44/314326644.db2.gz NPCBYDFEQPXDLG-MRVPVSSYSA-N -1 0 277.280 2.090 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581313973 322386098 /nfs/dbraw/zinc/38/60/98/322386098.db2.gz YBENCHSQBAYIRN-WPRPVWTQSA-N -1 0 279.296 2.392 20 5 CEBDRM Cc1cc(N(C)CCCCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581312971 322386251 /nfs/dbraw/zinc/38/62/51/322386251.db2.gz MEKNUMXHTPJXCZ-UHFFFAOYSA-N -1 0 296.323 2.200 20 5 CEBDRM Cc1nn(CCCC(=O)[O-])c2ccc([N+](=O)[O-])cc12 ZINC000581370106 322390837 /nfs/dbraw/zinc/39/08/37/322390837.db2.gz JGBBBCHNNSXWKH-UHFFFAOYSA-N -1 0 263.253 2.118 20 5 CEBDRM C[C@@H](CCCCO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000398466900 329443710 /nfs/dbraw/zinc/44/37/10/329443710.db2.gz CANXTIOAWIWFLU-VIFPVBQESA-N -1 0 282.296 2.256 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C2CCC1CC2 ZINC000398842876 329445954 /nfs/dbraw/zinc/44/59/54/329445954.db2.gz KHAYEPWKGFMQFX-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184722706 521593208 /nfs/dbraw/zinc/59/32/08/521593208.db2.gz ZCNFWYLSDXPIGS-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054297958 527628498 /nfs/dbraw/zinc/62/84/98/527628498.db2.gz DBNHVQWKNMSODQ-VIFPVBQESA-N -1 0 282.271 2.425 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262195929 535158393 /nfs/dbraw/zinc/15/83/93/535158393.db2.gz UCSOEHONRSGZRX-SECBINFHSA-N -1 0 294.307 2.410 20 5 CEBDRM COc1cc(N2CCC(CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000093680020 536824172 /nfs/dbraw/zinc/82/41/72/536824172.db2.gz HJISBMFHYUTDOL-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM CN(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(=O)[O-] ZINC000737430110 574833887 /nfs/dbraw/zinc/83/38/87/574833887.db2.gz UGXMNQKJKUNERV-UHFFFAOYSA-N -1 0 299.258 2.062 20 5 CEBDRM CC(C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])NC(=O)[O-] ZINC000738791425 574878625 /nfs/dbraw/zinc/87/86/25/574878625.db2.gz VWWGTHKRMUVUTG-JTQLQIEISA-N -1 0 285.275 2.438 20 5 CEBDRM C[C@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739037037 574890903 /nfs/dbraw/zinc/89/09/03/574890903.db2.gz OBZRKAVGORHLKZ-UWVGGRQHSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@@H](OC(=O)CSCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000739042748 574891121 /nfs/dbraw/zinc/89/11/21/574891121.db2.gz PVAKIVUJMQHWCE-MRVPVSSYSA-N -1 0 299.304 2.017 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000739927390 574936772 /nfs/dbraw/zinc/93/67/72/574936772.db2.gz GLWOIOVNTVCWMU-JTQLQIEISA-N -1 0 265.269 2.149 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC(N(C)C(=O)[O-])CC1 ZINC000740173460 574946688 /nfs/dbraw/zinc/94/66/88/574946688.db2.gz BYXGZAUGQAJJDQ-UHFFFAOYSA-N -1 0 293.323 2.482 20 5 CEBDRM CCOCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000138351767 600818295 /nfs/dbraw/zinc/81/82/95/600818295.db2.gz ROUNLYFUNZAGCZ-UHFFFAOYSA-N -1 0 269.253 2.098 20 5 CEBDRM O=C([O-])c1ccc(OCC2CCC2)c([N+](=O)[O-])c1 ZINC000088133312 600834585 /nfs/dbraw/zinc/83/45/85/600834585.db2.gz SYMYGVJGPOWHPL-UHFFFAOYSA-N -1 0 251.238 2.472 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000088147245 601024327 /nfs/dbraw/zinc/02/43/27/601024327.db2.gz REPBSHFHADKEES-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000825774131 601414365 /nfs/dbraw/zinc/41/43/65/601414365.db2.gz CCBXLGJUMXIDAM-ZZXKWVIFSA-N -1 0 285.277 2.152 20 5 CEBDRM C/C(=C/COC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000825769924 601424738 /nfs/dbraw/zinc/42/47/38/601424738.db2.gz UXKAOIWJYJYJBB-ALCCZGGFSA-N -1 0 299.666 2.436 20 5 CEBDRM C/C(=C/COC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000825769876 601428252 /nfs/dbraw/zinc/42/82/52/601428252.db2.gz SZBUZOKJXRWEMZ-UITAMQMPSA-N -1 0 279.248 2.091 20 5 CEBDRM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827942076 601438609 /nfs/dbraw/zinc/43/86/09/601438609.db2.gz OTOUYLCRFIJEID-NOZJJQNGSA-N -1 0 282.271 2.154 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832921510 601507479 /nfs/dbraw/zinc/50/74/79/601507479.db2.gz RQUZBSJQZJDYOO-JMJZKYOTSA-N -1 0 293.275 2.228 20 5 CEBDRM CC(=O)CCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000825813132 601882323 /nfs/dbraw/zinc/88/23/23/601882323.db2.gz GEJAYMKEZSGKGZ-UHFFFAOYSA-N -1 0 281.264 2.431 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000827350557 602187268 /nfs/dbraw/zinc/18/72/68/602187268.db2.gz ZYVKISPRRSMIKF-ZCFIWIBFSA-N -1 0 287.655 2.264 20 5 CEBDRM CN(CCNc1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000828332036 603185854 /nfs/dbraw/zinc/18/58/54/603185854.db2.gz DUBBPICSFWTSCQ-UHFFFAOYSA-N -1 0 290.279 2.165 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828435141 603521848 /nfs/dbraw/zinc/52/18/48/603521848.db2.gz ZGWKHFZCOHSQQP-SECBINFHSA-N -1 0 299.714 2.437 20 5 CEBDRM Cc1nc(NCCCN(C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000830775037 604441316 /nfs/dbraw/zinc/44/13/16/604441316.db2.gz LMPROOMGFVMVPQ-UHFFFAOYSA-N -1 0 294.311 2.243 20 5 CEBDRM C[C@@H](CN(C)c1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000833516188 605061419 /nfs/dbraw/zinc/06/14/19/605061419.db2.gz HKYPZACFWZPDSF-ZETCQYMHSA-N -1 0 295.320 2.361 20 5 CEBDRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000827539190 605079530 /nfs/dbraw/zinc/07/95/30/605079530.db2.gz OHDVIWXCVNXZSI-KWQFWETISA-N -1 0 296.279 2.245 20 5 CEBDRM O=C([O-])N1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000834080869 605379379 /nfs/dbraw/zinc/37/93/79/605379379.db2.gz CVDQCTGBHIQCFZ-SSDOTTSWSA-N -1 0 271.298 2.068 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000833820331 605501428 /nfs/dbraw/zinc/50/14/28/605501428.db2.gz XLUKJURIHGSVBT-IUCAKERBSA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1 ZINC000833907551 605865246 /nfs/dbraw/zinc/86/52/46/605865246.db2.gz MAGSUCSFRFCSMJ-GHMZBOCLSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)CCCCNC(=O)[O-] ZINC000833908022 605909366 /nfs/dbraw/zinc/90/93/66/605909366.db2.gz ZGGDRXIAVOYPJA-UHFFFAOYSA-N -1 0 296.279 2.247 20 5 CEBDRM O=C([O-])c1cc(NCc2ccncc2)ccc1[N+](=O)[O-] ZINC000021793157 622795696 /nfs/dbraw/zinc/79/56/96/622795696.db2.gz WMNOZACXGQJXPI-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM CSCC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000890874617 623038690 /nfs/dbraw/zinc/03/86/90/623038690.db2.gz IKFKGKUIJIFNBR-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000166678771 624752182 /nfs/dbraw/zinc/75/21/82/624752182.db2.gz LKAYWQRXHSKQFX-UHFFFAOYSA-N -1 0 295.251 2.170 20 5 CEBDRM Cc1cccc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000235922811 625793683 /nfs/dbraw/zinc/79/36/83/625793683.db2.gz NVEMDLZYPHTGMN-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000802918020 631483097 /nfs/dbraw/zinc/48/30/97/631483097.db2.gz PSNHLHGYUMKWIX-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM O=[N+]([O-])c1cc2c([n-]c1=NOC[C@@H]1CCOC1)CCCC2 ZINC000825989500 635742339 /nfs/dbraw/zinc/74/23/39/635742339.db2.gz DKGBVDCEPXNONH-SNVBAGLBSA-N -1 0 293.323 2.249 20 5 CEBDRM C/C(=C\CNc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000906149721 636625893 /nfs/dbraw/zinc/62/58/93/636625893.db2.gz CUVLMHLZMSQEAO-VMPITWQZSA-N -1 0 250.254 2.346 20 5 CEBDRM COC(C)(C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837690959 639344583 /nfs/dbraw/zinc/34/45/83/639344583.db2.gz MLUYWYMQATXYFA-UHFFFAOYSA-N -1 0 283.280 2.159 20 5 CEBDRM C[C@@H]1C[C@H](C)[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837703587 639350855 /nfs/dbraw/zinc/35/08/55/639350855.db2.gz GWJJJJPUEGIJRF-RWEMILLDSA-N -1 0 295.291 2.157 20 5 CEBDRM O=C([O-])[C@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000228891002 639663645 /nfs/dbraw/zinc/66/36/45/639663645.db2.gz VCPFHXPRBXGJDN-ZETCQYMHSA-N -1 0 286.234 2.174 20 5 CEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCC(=O)[O-])CC2 ZINC000843331243 640392121 /nfs/dbraw/zinc/39/21/21/640392121.db2.gz KXWVYIYITPTYJB-UHFFFAOYSA-N -1 0 292.291 2.047 20 5 CEBDRM CC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844207090 640631730 /nfs/dbraw/zinc/63/17/30/640631730.db2.gz WTFKBFONHSOSIS-UHFFFAOYSA-N -1 0 278.308 2.458 20 5 CEBDRM O=C([O-])Cc1ccc(NC2CC=CC2)c([N+](=O)[O-])c1 ZINC000844210883 640632950 /nfs/dbraw/zinc/63/29/50/640632950.db2.gz NUAWPAWSOQZFRZ-UHFFFAOYSA-N -1 0 262.265 2.352 20 5 CEBDRM C[C@H]1CSCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000889922931 641724132 /nfs/dbraw/zinc/72/41/32/641724132.db2.gz TVQXLYOOQBUJKJ-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(OCC(F)(F)Br)c1ccc([N+](=O)[O-])[n-]1 ZINC000851283546 642968477 /nfs/dbraw/zinc/96/84/77/642968477.db2.gz VZQKIYWPEGFQDP-UHFFFAOYSA-N -1 0 299.027 2.067 20 5 CEBDRM CSC(C)(C)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000156806812 643323282 /nfs/dbraw/zinc/32/32/82/643323282.db2.gz AXMHZILIZHLYNG-UHFFFAOYSA-N -1 0 285.325 2.242 20 5 CEBDRM CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000776561166 647071635 /nfs/dbraw/zinc/07/16/35/647071635.db2.gz JACSYLPUVSYTNU-UHFFFAOYSA-N -1 0 281.268 2.167 20 5 CEBDRM CCO[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000864691023 647085742 /nfs/dbraw/zinc/08/57/42/647085742.db2.gz VQYLCJUQUOBLKG-UHFFFAOYSA-N -1 0 264.281 2.084 20 5 CEBDRM Cc1cccc2c1C(=O)N[C@H](c1ccc([N+](=O)[O-])c([O-])c1)N2 ZINC000133717720 652707704 /nfs/dbraw/zinc/70/77/04/652707704.db2.gz BXBQMRZIMBUGTE-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1[O-] ZINC000715972168 815002041 /nfs/dbraw/zinc/00/20/41/815002041.db2.gz HWKVBLPWDUCHKG-SECBINFHSA-N -1 0 296.348 2.316 20 5 CEBDRM CCn1ncc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001146506797 814290274 /nfs/dbraw/zinc/29/02/74/814290274.db2.gz CWUQHBGSZNBUDF-UHFFFAOYSA-N -1 0 290.279 2.078 20 5 CEBDRM CN(c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1ncccc1N ZINC001174502106 816029304 /nfs/dbraw/zinc/02/93/04/816029304.db2.gz FRASKRGYHUQXBT-UHFFFAOYSA-N -1 0 288.263 2.038 20 5 CEBDRM Nc1ccn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2nccc1-2 ZINC001174502988 816029440 /nfs/dbraw/zinc/02/94/40/816029440.db2.gz QUGKWJVZJOJSOE-UHFFFAOYSA-N -1 0 298.258 2.166 20 5 CEBDRM O=C([O-])c1cc(Nc2cc[nH]c(=O)c2)cc([N+](=O)[O-])c1 ZINC001176673178 816452635 /nfs/dbraw/zinc/45/26/35/816452635.db2.gz SWJIIEUABMWMAJ-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM Nc1ccc(O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680788 816453986 /nfs/dbraw/zinc/45/39/86/816453986.db2.gz YEGLJRWVHACKIF-UHFFFAOYSA-N -1 0 289.247 2.324 20 5 CEBDRM C[C@@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000601930625 346928791 /nfs/dbraw/zinc/92/87/91/346928791.db2.gz BDSJWQOMTBYMLP-LDYMZIIASA-N -1 0 259.265 2.344 20 5 CEBDRM O=c1cc(C[C@@H]2CCCO2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000601935528 346931318 /nfs/dbraw/zinc/93/13/18/346931318.db2.gz WZJAVGZNHIUJFJ-ZDUSSCGKSA-N -1 0 289.291 2.257 20 5 CEBDRM Cc1cc(N[C@@H]2COCC2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567977856 299103516 /nfs/dbraw/zinc/10/35/16/299103516.db2.gz OJKLPJVGKLLNDA-LLVKDONJSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000567976911 299103593 /nfs/dbraw/zinc/10/35/93/299103593.db2.gz VKXKCCURMMYMQV-RXMQYKEDSA-N -1 0 293.201 2.298 20 5 CEBDRM CC(C)OC(=O)[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093772852 344229792 /nfs/dbraw/zinc/22/97/92/344229792.db2.gz CLSXYNQNHGTSRU-JTQLQIEISA-N -1 0 296.323 2.072 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000133733139 344370298 /nfs/dbraw/zinc/37/02/98/344370298.db2.gz GUVNYKFEOJCHTK-JTQLQIEISA-N -1 0 282.296 2.372 20 5 CEBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccsc2)c1 ZINC000224500222 344544387 /nfs/dbraw/zinc/54/43/87/344544387.db2.gz MKDGLPPCOTWKKA-UHFFFAOYSA-N -1 0 284.318 2.457 20 5 CEBDRM C[C@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000253064059 344642767 /nfs/dbraw/zinc/64/27/67/344642767.db2.gz HEZKMPVCBWTVBS-DTWKUNHWSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)c1ccc([N+](=O)[O-])o1 ZINC000590557550 345145273 /nfs/dbraw/zinc/14/52/73/345145273.db2.gz DXTCPGZFXROERZ-UHFFFAOYSA-N -1 0 288.219 2.022 20 5 CEBDRM COCCOCCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593191895 345452223 /nfs/dbraw/zinc/45/22/23/345452223.db2.gz JNRUGTVNDSQPOG-UHFFFAOYSA-N -1 0 287.337 2.197 20 5 CEBDRM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061403 345431033 /nfs/dbraw/zinc/43/10/33/345431033.db2.gz KGPYSDDAGQKOJY-GWCFXTLKSA-N -1 0 280.324 2.300 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC(F)F ZINC000592826244 345400359 /nfs/dbraw/zinc/40/03/59/345400359.db2.gz QEOQNPHKRYMICJ-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593761392 345533745 /nfs/dbraw/zinc/53/37/45/345533745.db2.gz MGEIUDLBKBOYQN-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC=CC1 ZINC000594382880 345619233 /nfs/dbraw/zinc/61/92/33/345619233.db2.gz RJNJCAZPXQBNKQ-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000595974886 345919672 /nfs/dbraw/zinc/91/96/72/345919672.db2.gz ZNLLGYQKEIYINX-MNOVXSKESA-N -1 0 293.323 2.296 20 5 CEBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc([N+](=O)[O-])s1 ZINC000595972436 345919726 /nfs/dbraw/zinc/91/97/26/345919726.db2.gz BROCWNNQDCPDCZ-JGVFFNPUSA-N -1 0 270.310 2.346 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596563474 346056181 /nfs/dbraw/zinc/05/61/81/346056181.db2.gz FVGLCHIQTLLREM-QMMMGPOBSA-N -1 0 251.286 2.178 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000598234014 346312851 /nfs/dbraw/zinc/31/28/51/346312851.db2.gz PCOYOQFRWSJHGD-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000598504692 346367105 /nfs/dbraw/zinc/36/71/05/346367105.db2.gz MVSPKBKBTRRVPB-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N(C1CC1)C1CC1 ZINC000600358891 346635546 /nfs/dbraw/zinc/63/55/46/346635546.db2.gz ICYSWPUASZNPEP-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM CO[C@@H](C)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000600839844 346699093 /nfs/dbraw/zinc/69/90/93/346699093.db2.gz RONKAQONIDQADL-JTQLQIEISA-N -1 0 296.323 2.186 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1=O ZINC000356302445 370649332 /nfs/dbraw/zinc/64/93/32/370649332.db2.gz ZXFUZXLVEQVKMC-BDAKNGLRSA-N -1 0 292.291 2.244 20 5 CEBDRM O=C([N-]c1cnoc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609502926 347640909 /nfs/dbraw/zinc/64/09/09/347640909.db2.gz NGZRQBHUAVHOBF-UHFFFAOYSA-N -1 0 267.628 2.489 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCSC1 ZINC000362963704 303998835 /nfs/dbraw/zinc/99/88/35/303998835.db2.gz ORTDFRYCFTYOOE-MRVPVSSYSA-N -1 0 282.321 2.382 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558996 347794878 /nfs/dbraw/zinc/79/48/78/347794878.db2.gz RAXGEVFMQXIBBH-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1F ZINC000611508269 347787956 /nfs/dbraw/zinc/78/79/56/347787956.db2.gz HJEHEEJHRLACRY-PSASIEDQSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000611534674 347792372 /nfs/dbraw/zinc/79/23/72/347792372.db2.gz KWTLMYHXDLSDPS-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM O=C([O-])c1csc(CNCc2ccc([N+](=O)[O-])cc2)n1 ZINC000336907432 365946304 /nfs/dbraw/zinc/94/63/04/365946304.db2.gz ZADYKTDWKWACBX-UHFFFAOYSA-N -1 0 293.304 2.039 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(C3CCOCC3)no2)c1 ZINC000614396065 348192048 /nfs/dbraw/zinc/19/20/48/348192048.db2.gz WPOPBBHCZPXXQB-UHFFFAOYSA-N -1 0 291.263 2.244 20 5 CEBDRM C[C@@H](S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000618023635 348855936 /nfs/dbraw/zinc/85/59/36/348855936.db2.gz KLRUZGCCYRXFMG-HTQZYQBOSA-N -1 0 298.320 2.128 20 5 CEBDRM O=C([O-])c1cnc(C=Cc2csc([N+](=O)[O-])c2)[nH]c1=O ZINC000619864515 349240362 /nfs/dbraw/zinc/24/03/62/349240362.db2.gz BMFQACKDFKAGNS-OWOJBTEDSA-N -1 0 293.260 2.021 20 5 CEBDRM CC[C@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000271472772 191158651 /nfs/dbraw/zinc/15/86/51/191158651.db2.gz IUXUIMNPEKFWST-CABZTGNLSA-N -1 0 280.280 2.197 20 5 CEBDRM Cc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072913602 363181370 /nfs/dbraw/zinc/18/13/70/363181370.db2.gz VVJFXNIXJWZSFJ-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC[C@H](C)CO[N-]C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000292053232 198146517 /nfs/dbraw/zinc/14/65/17/198146517.db2.gz FYLXAKKAZSTFNM-JTQLQIEISA-N -1 0 282.296 2.068 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000570094053 299237522 /nfs/dbraw/zinc/23/75/22/299237522.db2.gz YTVSUZMYDIAAPY-IINYFYTJSA-N -1 0 292.335 2.446 20 5 CEBDRM Cc1cc(NC[C@@H](C)C[C@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578195521 366456908 /nfs/dbraw/zinc/45/69/08/366456908.db2.gz ATSOVLVUAAKTEO-WPRPVWTQSA-N -1 0 296.323 2.420 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000452762218 283377461 /nfs/dbraw/zinc/37/74/61/283377461.db2.gz DSPVCNOHNWFXHC-BDAKNGLRSA-N -1 0 264.281 2.076 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000038027296 304083050 /nfs/dbraw/zinc/08/30/50/304083050.db2.gz WOSCCPAJVZRKJF-SNVBAGLBSA-N -1 0 264.281 2.428 20 5 CEBDRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)cc([N+](=O)[O-])c1 ZINC000137095016 366535640 /nfs/dbraw/zinc/53/56/40/366535640.db2.gz GYQDERWUOLBSRV-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017356173 361509491 /nfs/dbraw/zinc/50/94/91/361509491.db2.gz BVATYHOZYKVZKZ-UHFFFAOYSA-N -1 0 272.260 2.230 20 5 CEBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000019441121 361536172 /nfs/dbraw/zinc/53/61/72/361536172.db2.gz VKXKVEWUPSNLMT-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM O=[N+]([O-])c1ccsc1[N-]c1cnn(-c2ncccn2)c1 ZINC000301936469 201267945 /nfs/dbraw/zinc/26/79/45/201267945.db2.gz QBIXDFMMYZTSSR-UHFFFAOYSA-N -1 0 288.292 2.376 20 5 CEBDRM Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000027649754 361657558 /nfs/dbraw/zinc/65/75/58/361657558.db2.gz OCQMMVUERDDECH-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCCCO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531722 363977937 /nfs/dbraw/zinc/97/79/37/363977937.db2.gz WCMDJDOTPDTESD-VIFPVBQESA-N -1 0 282.296 2.444 20 5 CEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000092548747 364080840 /nfs/dbraw/zinc/08/08/40/364080840.db2.gz RKISLARLYDZIIF-SSDOTTSWSA-N -1 0 250.254 2.285 20 5 CEBDRM C[C@@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)O1 ZINC000092549193 364080983 /nfs/dbraw/zinc/08/09/83/364080983.db2.gz UMMDDGCMDHYTED-RKDXNWHRSA-N -1 0 294.307 2.443 20 5 CEBDRM C[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000092549191 364081124 /nfs/dbraw/zinc/08/11/24/364081124.db2.gz UMMDDGCMDHYTED-IUCAKERBSA-N -1 0 294.307 2.443 20 5 CEBDRM Cc1noc(C)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356515293 370738072 /nfs/dbraw/zinc/73/80/72/370738072.db2.gz UELDZSXVKBJMQV-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM COc1cc(N(C)CCCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000111611446 364746068 /nfs/dbraw/zinc/74/60/68/364746068.db2.gz OFLPCWAKULXJHS-UHFFFAOYSA-N -1 0 286.259 2.044 20 5 CEBDRM C/C=C/C[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572163807 299349801 /nfs/dbraw/zinc/34/98/01/299349801.db2.gz BFHYVRYFEKJEMV-FSIBCCDJSA-N -1 0 294.307 2.340 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000119131050 365221783 /nfs/dbraw/zinc/22/17/83/365221783.db2.gz LRIHZGMSFLLNRM-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCS1 ZINC000119192879 365233807 /nfs/dbraw/zinc/23/38/07/365233807.db2.gz CZFJSDZMMSCJSC-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000161425556 367085137 /nfs/dbraw/zinc/08/51/37/367085137.db2.gz UMJUNYDQKIMTRG-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCS1 ZINC000163124132 367219735 /nfs/dbraw/zinc/21/97/35/367219735.db2.gz AODPUWHTGQOXEP-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM Cc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1[N+](=O)[O-] ZINC000172192798 367695329 /nfs/dbraw/zinc/69/53/29/367695329.db2.gz CAMYYQLMTUBXCM-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343880976 368056613 /nfs/dbraw/zinc/05/66/13/368056613.db2.gz RXEXYRUCLIXCEB-ZWNOBZJWSA-N -1 0 294.307 2.444 20 5 CEBDRM COC(C)(C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182051441 368519274 /nfs/dbraw/zinc/51/92/74/368519274.db2.gz OTPUJGACJWUVFX-VIFPVBQESA-N -1 0 296.323 2.234 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cn1 ZINC000183779025 368649570 /nfs/dbraw/zinc/64/95/70/368649570.db2.gz CEXZZGBAXMWRGX-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(C2CC2)[nH]n1 ZINC000186011641 368905830 /nfs/dbraw/zinc/90/58/30/368905830.db2.gz KEPMUJZIUHPYHJ-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191664732 369731428 /nfs/dbraw/zinc/73/14/28/369731428.db2.gz OPOJXOXVAXAPMQ-RKDXNWHRSA-N -1 0 292.291 2.306 20 5 CEBDRM CCCN(CC(=O)[O-])c1cc(OC)c([N+](=O)[O-])cc1F ZINC000227855283 370386571 /nfs/dbraw/zinc/38/65/71/370386571.db2.gz GRFHPQNLOLVDCT-UHFFFAOYSA-N -1 0 286.259 2.044 20 5 CEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000226561558 370346302 /nfs/dbraw/zinc/34/63/02/370346302.db2.gz IOYYUMLXUQCRHG-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000235921561 370580878 /nfs/dbraw/zinc/58/08/78/370580878.db2.gz UHULCVIFQRHUCD-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CC1(C)C ZINC000331923797 204298035 /nfs/dbraw/zinc/29/80/35/204298035.db2.gz FYYXDEUWUZTRKT-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM CO[C@H](C)c1nc(=NCc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000336829048 213727440 /nfs/dbraw/zinc/72/74/40/213727440.db2.gz FNMAZOXRIBYCIW-MRVPVSSYSA-N -1 0 294.336 2.188 20 5 CEBDRM O=C(CCOCC1CC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361655990 372007372 /nfs/dbraw/zinc/00/73/72/372007372.db2.gz RFAKDZBEGPCXGB-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM Cc1nc(=NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s[n-]1 ZINC000362138523 372240044 /nfs/dbraw/zinc/24/00/44/372240044.db2.gz MIWPORSLPMAHOW-UHFFFAOYSA-N -1 0 298.711 2.082 20 5 CEBDRM CCCCOCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269128727 372350878 /nfs/dbraw/zinc/35/08/78/372350878.db2.gz KIYZKGDNNSFVIM-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM CC(C)N(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272418567 373473254 /nfs/dbraw/zinc/47/32/54/373473254.db2.gz PXIVDBCNLCNMME-UHFFFAOYSA-N -1 0 288.250 2.416 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272707405 373624205 /nfs/dbraw/zinc/62/42/05/373624205.db2.gz WPYYIQIBECSQKT-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM CC(C)N(CC(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272699493 373621081 /nfs/dbraw/zinc/62/10/81/373621081.db2.gz SYJLGKXGWGHPNX-UHFFFAOYSA-N -1 0 288.250 2.416 20 5 CEBDRM C[C@H]1CCSCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000276853692 374325512 /nfs/dbraw/zinc/32/55/12/374325512.db2.gz LFTXECRNLCUHKW-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM CC1=CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000280581981 375252433 /nfs/dbraw/zinc/25/24/33/375252433.db2.gz AINNCZQQEUGLSV-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000282451330 375487501 /nfs/dbraw/zinc/48/75/01/375487501.db2.gz KCZWHRKLHCDMPX-SXMVTHIZSA-N -1 0 280.280 2.052 20 5 CEBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000332435064 377603511 /nfs/dbraw/zinc/60/35/11/377603511.db2.gz IKZDYWKQTMUTBJ-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM O=[N+]([O-])c1cc(NS(=O)(=O)CCCCF)ccc1F ZINC000294189736 377933764 /nfs/dbraw/zinc/93/37/64/377933764.db2.gz KYEMGRMLZVHUBR-UHFFFAOYSA-N -1 0 294.279 2.225 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000456887630 379589892 /nfs/dbraw/zinc/58/98/92/379589892.db2.gz VSYASUAPSTVWMG-ONGXEEELSA-N -1 0 276.292 2.076 20 5 CEBDRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458138362 380020531 /nfs/dbraw/zinc/02/05/31/380020531.db2.gz QZAFJAKIEVDWIS-RISCZKNCSA-N -1 0 278.308 2.465 20 5 CEBDRM CSCCONC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492019718 380421397 /nfs/dbraw/zinc/42/13/97/380421397.db2.gz PFEOWNHCNCKXDT-WAYWQWQTSA-N -1 0 282.321 2.019 20 5 CEBDRM CCCCOCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280735683 194952091 /nfs/dbraw/zinc/95/20/91/194952091.db2.gz JBYYPYJZGGTUJL-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281245607 195165033 /nfs/dbraw/zinc/16/50/33/195165033.db2.gz NVNATNBHUKIUHV-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM CC(C)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236722487 130970227 /nfs/dbraw/zinc/97/02/27/130970227.db2.gz ODSXEKJATYXEIR-UHFFFAOYSA-N -1 0 280.280 2.069 20 5 CEBDRM CC(C)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263220409 131286604 /nfs/dbraw/zinc/28/66/04/131286604.db2.gz YQNSURCSNVYGFO-SECBINFHSA-N -1 0 294.307 2.169 20 5 CEBDRM CCC1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC000217316556 394454436 /nfs/dbraw/zinc/45/44/36/394454436.db2.gz VSDBBYLULXQYPR-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000274650636 394800037 /nfs/dbraw/zinc/80/00/37/394800037.db2.gz CAOXASKWJPVQFT-RKDXNWHRSA-N -1 0 264.281 2.028 20 5 CEBDRM CCCN(CC(=O)[O-])c1c(C)cccc1[N+](=O)[O-] ZINC000158618504 395050206 /nfs/dbraw/zinc/05/02/06/395050206.db2.gz OOQVCPBJBMHXMB-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM CCOC(=O)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436472973 395119771 /nfs/dbraw/zinc/11/97/71/395119771.db2.gz CRLJBPTUACGPHT-UHFFFAOYSA-N -1 0 271.294 2.097 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ncc[nH]1 ZINC000436476665 395119792 /nfs/dbraw/zinc/11/97/92/395119792.db2.gz SLMZZWIDETZEBS-UHFFFAOYSA-N -1 0 251.267 2.316 20 5 CEBDRM CO[C@H](C)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000436973151 395169808 /nfs/dbraw/zinc/16/98/08/395169808.db2.gz WLXULIRDSSDYED-SNVBAGLBSA-N -1 0 296.323 2.186 20 5 CEBDRM CC(C)[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436975380 395170243 /nfs/dbraw/zinc/17/02/43/395170243.db2.gz KAQDYTWLCPRMPW-LLVKDONJSA-N -1 0 278.308 2.419 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436999381 395172665 /nfs/dbraw/zinc/17/26/65/395172665.db2.gz LDXGYWQKYBGKQM-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM O=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194738378 395447255 /nfs/dbraw/zinc/44/72/55/395447255.db2.gz IHQUYITXBGMEPS-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM Cc1nc(=NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s[n-]1 ZINC000443928312 395406006 /nfs/dbraw/zinc/40/60/06/395406006.db2.gz OWGKZCJCTRSRTE-UHFFFAOYSA-N -1 0 298.711 2.082 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444483097 395433456 /nfs/dbraw/zinc/43/34/56/395433456.db2.gz NIUNYRXPHLGVQF-SCZZXKLOSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360222619 155246891 /nfs/dbraw/zinc/24/68/91/155246891.db2.gz UERZETFKHXSSEH-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM COC[C@H](C)[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000360764601 155366554 /nfs/dbraw/zinc/36/65/54/155366554.db2.gz QLCIZMWDONZXEI-IUCAKERBSA-N -1 0 282.296 2.158 20 5 CEBDRM CC(C)C[C@H](CNc1ncc([N+](=O)[O-])s1)C(=O)[O-] ZINC000226763929 153337055 /nfs/dbraw/zinc/33/70/55/153337055.db2.gz NREDVTZMGIUWMR-SSDOTTSWSA-N -1 0 273.314 2.210 20 5 CEBDRM CCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000263141729 154025336 /nfs/dbraw/zinc/02/53/36/154025336.db2.gz GSBJOJGPFQVNLT-UHFFFAOYSA-N -1 0 294.307 2.148 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263201309 154034101 /nfs/dbraw/zinc/03/41/01/154034101.db2.gz MKLVBIGSURELOG-MWLCHTKSSA-N -1 0 278.308 2.450 20 5 CEBDRM CC(=O)c1cc(N2CC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263441494 154086161 /nfs/dbraw/zinc/08/61/61/154086161.db2.gz XGCMKNHRGHUTQZ-AWEZNQCLSA-N -1 0 292.291 2.098 20 5 CEBDRM CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022623857 171394576 /nfs/dbraw/zinc/39/45/76/171394576.db2.gz MUTOVZRGSTWVCC-QMMMGPOBSA-N -1 0 252.270 2.219 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nccs1 ZINC000035686024 172353356 /nfs/dbraw/zinc/35/33/56/172353356.db2.gz PIAWOJNTMFWWNY-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000041031349 174455100 /nfs/dbraw/zinc/45/51/00/174455100.db2.gz RLPJGVJLGMPCLW-GFCCVEGCSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000236617599 304502637 /nfs/dbraw/zinc/50/26/37/304502637.db2.gz KINKDIFTBQBDRW-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@@H]2C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000517943744 260323570 /nfs/dbraw/zinc/32/35/70/260323570.db2.gz QHUQWJCWRILPLE-VXNVDRBHSA-N -1 0 286.234 2.287 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000184594235 262288206 /nfs/dbraw/zinc/28/82/06/262288206.db2.gz GBVPZSLOXIRGMF-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)CCC2CC2)n1 ZINC000519162001 265348829 /nfs/dbraw/zinc/34/88/29/265348829.db2.gz WOASSHOKLJKVGI-QMMMGPOBSA-N -1 0 293.323 2.409 20 5 CEBDRM C[C@@H]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000230428926 270313872 /nfs/dbraw/zinc/31/38/72/270313872.db2.gz LCFBSKMPTLUHDV-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000397160065 270351625 /nfs/dbraw/zinc/35/16/25/270351625.db2.gz SGEWXRNGEQZFCY-OCCSQVGLSA-N -1 0 278.308 2.465 20 5 CEBDRM CCSCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436505272 271670412 /nfs/dbraw/zinc/67/04/12/271670412.db2.gz LZLSNKOXMTVMGT-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM CCSCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436504369 271670695 /nfs/dbraw/zinc/67/06/95/271670695.db2.gz PDMWDWDDNYAXTQ-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436804241 271690110 /nfs/dbraw/zinc/69/01/10/271690110.db2.gz OSSUWFYLTNZPRA-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM CC(C)CCOCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000126570656 279835868 /nfs/dbraw/zinc/83/58/68/279835868.db2.gz LBIQFEPWKSDLLS-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000075385699 288274140 /nfs/dbraw/zinc/27/41/40/288274140.db2.gz JWSPHHGFWUIUFM-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM CC1(C)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000236632516 281085918 /nfs/dbraw/zinc/08/59/18/281085918.db2.gz WDQUHCQYJZVZCO-UHFFFAOYSA-N -1 0 292.291 2.165 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C[C@@H]21 ZINC000182869371 281456157 /nfs/dbraw/zinc/45/61/57/281456157.db2.gz GEMQWBCZIGAPLU-AOOOYVTPSA-N -1 0 276.292 2.028 20 5 CEBDRM CCc1ccc(C(=O)N[C@](C)(CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262398539 288534401 /nfs/dbraw/zinc/53/44/01/288534401.db2.gz JRHVLAALBLFEOJ-CQSZACIVSA-N -1 0 294.307 2.140 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000457339383 289761596 /nfs/dbraw/zinc/76/15/96/289761596.db2.gz GYNKIHQZXZTKQI-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM CN1c2ccccc2C(=O)N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000133715286 290319816 /nfs/dbraw/zinc/31/98/16/290319816.db2.gz IUHIQFLODNXRES-AWEZNQCLSA-N -1 0 299.286 2.179 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263241863 295254397 /nfs/dbraw/zinc/25/43/97/295254397.db2.gz RSSHQDDXOYTLGU-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC2(CC2)C1 ZINC000184109269 304524889 /nfs/dbraw/zinc/52/48/89/304524889.db2.gz IEHHTUVOVNNRKM-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162344280 297451437 /nfs/dbraw/zinc/45/14/37/297451437.db2.gz RYUFSCUOCCDFTH-DTORHVGOSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000184861469 304534481 /nfs/dbraw/zinc/53/44/81/304534481.db2.gz QQZSGUKVZAYRAR-AOOOYVTPSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2ccc([N+](=O)[O-])s2)ncn1 ZINC000543861903 298312600 /nfs/dbraw/zinc/31/26/00/298312600.db2.gz IFEAZJNBQHEQAK-UPHRSURJSA-N -1 0 277.261 2.315 20 5 CEBDRM O=C(N[C@H]1CC12CC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024183 298871250 /nfs/dbraw/zinc/87/12/50/298871250.db2.gz HJQRKEGWNOZMGP-VIFPVBQESA-N -1 0 282.683 2.236 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CS[C@@H](C)C2)n1 ZINC000567355984 299056748 /nfs/dbraw/zinc/05/67/48/299056748.db2.gz YMCBJQRAAOVFOS-JGVFFNPUSA-N -1 0 297.336 2.302 20 5 CEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000182009263 301361396 /nfs/dbraw/zinc/36/13/96/301361396.db2.gz XXRMSQKOSYFOON-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(C)OCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000580332149 322311946 /nfs/dbraw/zinc/31/19/46/322311946.db2.gz GKHHSJVIDLPFRX-UHFFFAOYSA-N -1 0 296.323 2.449 20 5 CEBDRM COC[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000581827334 322425220 /nfs/dbraw/zinc/42/52/20/322425220.db2.gz MZCYBHHUGQRKNO-MRVPVSSYSA-N -1 0 282.296 2.296 20 5 CEBDRM C[C@H](CCO)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397767199 329391281 /nfs/dbraw/zinc/39/12/81/329391281.db2.gz SNMZNWIBLVIZKJ-VIFPVBQESA-N -1 0 282.296 2.114 20 5 CEBDRM O=C(NCCc1ccsc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000192895462 534496470 /nfs/dbraw/zinc/49/64/70/534496470.db2.gz ONKZWQICTPNLQI-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM CSCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000069456119 525484117 /nfs/dbraw/zinc/48/41/17/525484117.db2.gz UJSWBWLDJXZHNW-UHFFFAOYSA-N -1 0 270.310 2.458 20 5 CEBDRM O=C([O-])[C@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000061609653 526303998 /nfs/dbraw/zinc/30/39/98/526303998.db2.gz YYFNKZQYYHDLPV-LLVKDONJSA-N -1 0 287.275 2.270 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000739927447 574432493 /nfs/dbraw/zinc/43/24/93/574432493.db2.gz IJXVJWXMNTZNDK-MRVPVSSYSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])NC[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000740631667 574473784 /nfs/dbraw/zinc/47/37/84/574473784.db2.gz YOTSECMSYBFESV-JOYOIKCWSA-N -1 0 279.296 2.443 20 5 CEBDRM Cc1c(NC(=O)CCCN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738298396 574857177 /nfs/dbraw/zinc/85/71/77/574857177.db2.gz CEARDBHYRSXWIA-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM Cc1cc(N[C@@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000738452851 574864299 /nfs/dbraw/zinc/86/42/99/574864299.db2.gz TZCCNDQTDGWQNC-LLVKDONJSA-N -1 0 279.296 2.458 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000738574375 574868332 /nfs/dbraw/zinc/86/83/32/574868332.db2.gz SZUIZBIBZJNJQG-UHFFFAOYSA-N -1 0 267.237 2.007 20 5 CEBDRM CC(C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])NC(=O)[O-] ZINC000738791427 574878690 /nfs/dbraw/zinc/87/86/90/574878690.db2.gz VWWGTHKRMUVUTG-SNVBAGLBSA-N -1 0 285.275 2.438 20 5 CEBDRM C[C@@H](SCCOc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000739055501 574891564 /nfs/dbraw/zinc/89/15/64/574891564.db2.gz NTVPQBNCGFXSKD-MRVPVSSYSA-N -1 0 271.294 2.180 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000739588072 574927803 /nfs/dbraw/zinc/92/78/03/574927803.db2.gz YPWGQTPUHQBEHW-ZDUSSCGKSA-N -1 0 293.323 2.169 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCC1 ZINC000740095727 574941950 /nfs/dbraw/zinc/94/19/50/574941950.db2.gz NCEUZRCPDWGTOS-UHFFFAOYSA-N -1 0 281.224 2.166 20 5 CEBDRM O=Cc1cc([N+](=O)[O-])ccc1OCc1cc(C(=O)[O-])co1 ZINC000740317793 574952197 /nfs/dbraw/zinc/95/21/97/574952197.db2.gz FGBNOQYEOLSQTP-UHFFFAOYSA-N -1 0 291.215 2.278 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000054297360 597051912 /nfs/dbraw/zinc/05/19/12/597051912.db2.gz NGGVXZIISLKKAP-SECBINFHSA-N -1 0 282.271 2.425 20 5 CEBDRM O=C([O-])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000228891098 597363316 /nfs/dbraw/zinc/36/33/16/597363316.db2.gz QNRXBMGSXQSHEW-UHFFFAOYSA-N -1 0 286.234 2.174 20 5 CEBDRM COc1cc(NC2CCN(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000832026602 600810753 /nfs/dbraw/zinc/81/07/53/600810753.db2.gz NFBRKMBIDWMTTA-UHFFFAOYSA-N -1 0 295.295 2.158 20 5 CEBDRM CCCC[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC000132281993 600833276 /nfs/dbraw/zinc/83/32/76/600833276.db2.gz UFAGWPPKNGMIFO-VIFPVBQESA-N -1 0 254.242 2.012 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147223 600995363 /nfs/dbraw/zinc/99/53/63/600995363.db2.gz WVCJXVJNUPSMTQ-SKDRFNHKSA-N -1 0 294.307 2.132 20 5 CEBDRM C/C(=C\COc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000088629797 601099225 /nfs/dbraw/zinc/09/92/25/601099225.db2.gz IGMQVIFTRPNAQJ-SOFGYWHQSA-N -1 0 251.238 2.313 20 5 CEBDRM O=C([O-])C1(CNc2cccnc2[N+](=O)[O-])CCCC1 ZINC000833174550 601379435 /nfs/dbraw/zinc/37/94/35/601379435.db2.gz RNWSTJCBLWSMFK-UHFFFAOYSA-N -1 0 265.269 2.047 20 5 CEBDRM CCc1oc(C(=O)[O-])cc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000830398834 601406479 /nfs/dbraw/zinc/40/64/79/601406479.db2.gz VSDOQTXMOMCSGC-UHFFFAOYSA-N -1 0 279.252 2.002 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000832921503 601507454 /nfs/dbraw/zinc/50/74/54/601507454.db2.gz RQUZBSJQZJDYOO-GDPRMGEGSA-N -1 0 293.275 2.228 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000062933436 601864413 /nfs/dbraw/zinc/86/44/13/601864413.db2.gz OSDIWZRGGBTHFU-GFCCVEGCSA-N -1 0 268.244 2.035 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000832521642 603198497 /nfs/dbraw/zinc/19/84/97/603198497.db2.gz PGMBRTJOYWWBSC-GXSJLCMTSA-N -1 0 294.311 2.228 20 5 CEBDRM Cc1cnc(NCCCN(C(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000830634218 603207271 /nfs/dbraw/zinc/20/72/71/603207271.db2.gz NXKWTOLWCNMCLH-UHFFFAOYSA-N -1 0 294.311 2.243 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000828435142 603522079 /nfs/dbraw/zinc/52/20/79/603522079.db2.gz ZGWKHFZCOHSQQP-VIFPVBQESA-N -1 0 299.714 2.437 20 5 CEBDRM Cc1cc(NCC[C@@H]2CCN(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000830122470 603890164 /nfs/dbraw/zinc/89/01/64/603890164.db2.gz MQPTVYUKXKAIJT-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM CCCC[C@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])nc1 ZINC000826813935 603893672 /nfs/dbraw/zinc/89/36/72/603893672.db2.gz KOWPWQIRBILFJM-SECBINFHSA-N -1 0 282.300 2.228 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000042162168 604470657 /nfs/dbraw/zinc/47/06/57/604470657.db2.gz XYVYCVJPEHUCSL-LLVKDONJSA-N -1 0 250.254 2.038 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000833195997 604647724 /nfs/dbraw/zinc/64/77/24/604647724.db2.gz LGPJNHDYPDAIEH-HYXAFXHYSA-N -1 0 292.291 2.020 20 5 CEBDRM Cc1cc(N2CCC[C@@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830086229 605342581 /nfs/dbraw/zinc/34/25/81/605342581.db2.gz ZGVRAZWXSZHVNM-LLVKDONJSA-N -1 0 279.296 2.140 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000833814849 605497703 /nfs/dbraw/zinc/49/77/03/605497703.db2.gz DPBZOKVCKXCZMM-NXEZZACHSA-N -1 0 279.296 2.077 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000833818599 605498608 /nfs/dbraw/zinc/49/86/08/605498608.db2.gz QELNCCOKFSSKGL-HTQZYQBOSA-N -1 0 285.325 2.139 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000834214418 605948476 /nfs/dbraw/zinc/94/84/76/605948476.db2.gz HGOHZVPIIIHBNK-QMMMGPOBSA-N -1 0 285.325 2.140 20 5 CEBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000834097213 605948986 /nfs/dbraw/zinc/94/89/86/605948986.db2.gz UEIWFSOYYGEKQY-YPMHNXCESA-N -1 0 291.307 2.316 20 5 CEBDRM CN(CC(C)(C)CNC(=O)[O-])c1sccc1[N+](=O)[O-] ZINC000833870690 605991021 /nfs/dbraw/zinc/99/10/21/605991021.db2.gz MEBCELLAAAFYDB-UHFFFAOYSA-N -1 0 287.341 2.386 20 5 CEBDRM Cc1nsc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000120308719 622638045 /nfs/dbraw/zinc/63/80/45/622638045.db2.gz GJADKIMTZMTYOJ-UHFFFAOYSA-N -1 0 296.283 2.455 20 5 CEBDRM CCC(CC)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC000820897806 634564678 /nfs/dbraw/zinc/56/46/78/634564678.db2.gz OGPLFDGVCUCTPW-UHFFFAOYSA-N -1 0 276.300 2.375 20 5 CEBDRM CS[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119076847 627936361 /nfs/dbraw/zinc/93/63/61/627936361.db2.gz RUVCRWDERNAWDR-NXEZZACHSA-N -1 0 296.348 2.314 20 5 CEBDRM Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000795286469 629507194 /nfs/dbraw/zinc/50/71/94/629507194.db2.gz NAAWIUGFHVKGMN-UHFFFAOYSA-N -1 0 299.333 2.039 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000899404522 632834217 /nfs/dbraw/zinc/83/42/17/632834217.db2.gz GTVSZKGXFWBTKP-LSKIRQOJSA-N -1 0 290.319 2.322 20 5 CEBDRM CCCCC[C@@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000827799274 636425848 /nfs/dbraw/zinc/42/58/48/636425848.db2.gz WYEKMOISGNXTBP-GFCCVEGCSA-N -1 0 282.296 2.180 20 5 CEBDRM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000927482677 637223763 /nfs/dbraw/zinc/22/37/63/637223763.db2.gz HQLWMEVHYLAUTA-BHDSKKPTSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C([O-])Cc1ccc(N2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000910388790 638034281 /nfs/dbraw/zinc/03/42/81/638034281.db2.gz MERQFXDYQUXRAR-TXEJJXNPSA-N -1 0 290.319 2.458 20 5 CEBDRM O=C(CSC(F)F)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837383940 639209778 /nfs/dbraw/zinc/20/97/78/639209778.db2.gz OYNNSBDTRFSELV-UHFFFAOYSA-N -1 0 293.247 2.299 20 5 CEBDRM COC1(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000837662358 639331796 /nfs/dbraw/zinc/33/17/96/639331796.db2.gz KQOANFWNSXWIMV-UHFFFAOYSA-N -1 0 295.291 2.303 20 5 CEBDRM O=C(C[C@H]1CCCOC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837695146 639346060 /nfs/dbraw/zinc/34/60/60/639346060.db2.gz DYKRCZGCPCIMHR-SNVBAGLBSA-N -1 0 295.291 2.160 20 5 CEBDRM COC[C@H](C)[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837739340 639368291 /nfs/dbraw/zinc/36/82/91/639368291.db2.gz UYERAJDRXGTWSJ-UWVGGRQHSA-N -1 0 297.307 2.262 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCC(C)(C)C(=O)[O-] ZINC000841506674 639779341 /nfs/dbraw/zinc/77/93/41/639779341.db2.gz WNTLUHQOIHXVCK-UHFFFAOYSA-N -1 0 282.296 2.264 20 5 CEBDRM Cc1cnc(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000842902366 640216949 /nfs/dbraw/zinc/21/69/49/640216949.db2.gz REUMAVZCONJUIH-UHFFFAOYSA-N -1 0 289.291 2.334 20 5 CEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000844219877 640634873 /nfs/dbraw/zinc/63/48/73/640634873.db2.gz WXXCKBRKJWMBPE-CQSZACIVSA-N -1 0 293.323 2.114 20 5 CEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000844218815 640635170 /nfs/dbraw/zinc/63/51/70/640635170.db2.gz QZIIVMJWYDKQQU-BVKQBWKVSA-N -1 0 292.291 2.018 20 5 CEBDRM CO[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000920123850 641118718 /nfs/dbraw/zinc/11/87/18/641118718.db2.gz JFPFSCHBKICQTC-RKDXNWHRSA-N -1 0 268.269 2.037 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000846295737 641263957 /nfs/dbraw/zinc/26/39/57/641263957.db2.gz WQKMNVDQRBHYBE-QWHCGFSZSA-N -1 0 290.319 2.450 20 5 CEBDRM CO[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCCC1 ZINC000851435561 643014475 /nfs/dbraw/zinc/01/44/75/643014475.db2.gz YEKOJTADCGJUDO-LLVKDONJSA-N -1 0 282.296 2.285 20 5 CEBDRM O=C(NC12CCC(CC1)C2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773920166 646786715 /nfs/dbraw/zinc/78/67/15/646786715.db2.gz WAZQYEJFWSMGEF-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1ccc(CNC(=O)CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000864217440 646945728 /nfs/dbraw/zinc/94/57/28/646945728.db2.gz WZTZAKHDGNNRCM-UHFFFAOYSA-N -1 0 294.307 2.020 20 5 CEBDRM CCOC(=O)[C@@H](CC)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000789473936 648307370 /nfs/dbraw/zinc/30/73/70/648307370.db2.gz ZUWRGKGUCGTIDV-BDAKNGLRSA-N -1 0 298.295 2.058 20 5 CEBDRM CCO[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000873602520 649708088 /nfs/dbraw/zinc/70/80/88/649708088.db2.gz ZUCINCLFDVNGHY-ZJUUUORDSA-N -1 0 282.296 2.427 20 5 CEBDRM O=[N+]([O-])c1cc(CSCCc2nn[nH]n2)ccc1Cl ZINC000882188913 651994485 /nfs/dbraw/zinc/99/44/85/651994485.db2.gz VKCNCWXDFIHRDP-UHFFFAOYSA-N -1 0 299.743 2.237 20 5 CEBDRM O=C1[N-]OC[C@H]1Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001167519260 803097416 /nfs/dbraw/zinc/09/74/16/803097416.db2.gz MNUPLQMGUNKOCD-CQSZACIVSA-N -1 0 299.286 2.104 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(F)nc1 ZINC000588523935 803152121 /nfs/dbraw/zinc/15/21/21/803152121.db2.gz MQKXXXJRBQHTFV-IWQZZHSRSA-N -1 0 289.222 2.393 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000703497770 809652855 /nfs/dbraw/zinc/65/28/55/809652855.db2.gz AUCLKMHOFLIGFC-DTORHVGOSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](CF)C2)c1 ZINC000711523084 810081860 /nfs/dbraw/zinc/08/18/60/810081860.db2.gz TZZFSNYFPGROMF-SECBINFHSA-N -1 0 282.271 2.479 20 5 CEBDRM Cc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000120001476 810794430 /nfs/dbraw/zinc/79/44/30/810794430.db2.gz HAOUDFTYRFJPBF-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n(C)n1 ZINC001174502113 816028962 /nfs/dbraw/zinc/02/89/62/816028962.db2.gz FTRMXBDMSPZUHL-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM O=C(Nc1ccn2ccnc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001139980227 816155748 /nfs/dbraw/zinc/15/57/48/816155748.db2.gz KFKONNHYFVVENF-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM Cc1cncnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678554 816453978 /nfs/dbraw/zinc/45/39/78/816453978.db2.gz TWGASCFQYCVLOQ-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM O=C([O-])c1cc(Nc2cnncc2Cl)cc([N+](=O)[O-])c1 ZINC001176673871 816454118 /nfs/dbraw/zinc/45/41/18/816454118.db2.gz ARFSOZPLULQAIK-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM COc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccn1 ZINC001176673225 816454174 /nfs/dbraw/zinc/45/41/74/816454174.db2.gz UTWOFSWSZTYVHU-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM CCCC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000035095745 361809733 /nfs/dbraw/zinc/80/97/33/361809733.db2.gz ZAMTXADBSBFZQH-LLVKDONJSA-N -1 0 294.307 2.276 20 5 CEBDRM CCC(CC)(CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OC ZINC000294624534 282116748 /nfs/dbraw/zinc/11/67/48/282116748.db2.gz KXYHDXVADLYRNW-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037589542 361906873 /nfs/dbraw/zinc/90/68/73/361906873.db2.gz PRDSVPBMLCEFPS-SNVBAGLBSA-N -1 0 294.307 2.229 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC[C@H]2C ZINC000601936876 346932949 /nfs/dbraw/zinc/93/29/49/346932949.db2.gz WUNKBZPHVYOIQY-PSASIEDQSA-N -1 0 289.291 2.352 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000601942204 346935298 /nfs/dbraw/zinc/93/52/98/346935298.db2.gz HVVBAPVZAHGFCR-GFCCVEGCSA-N -1 0 289.291 2.031 20 5 CEBDRM O=[N+]([O-])c1cccc(CN=c2[n-]nc(C(F)(F)F)o2)c1 ZINC000351496538 219106333 /nfs/dbraw/zinc/10/63/33/219106333.db2.gz XHDYYHCOJJSDHL-UHFFFAOYSA-N -1 0 288.185 2.031 20 5 CEBDRM CC[C@H]1C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000567976153 299103454 /nfs/dbraw/zinc/10/34/54/299103454.db2.gz IBMCOAWWZAFSGS-BDAKNGLRSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1nc(NC[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000123468515 344310087 /nfs/dbraw/zinc/31/00/87/344310087.db2.gz METJABAQCIIVKP-VIFPVBQESA-N -1 0 267.285 2.067 20 5 CEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000134986460 344379094 /nfs/dbraw/zinc/37/90/94/344379094.db2.gz ROGFUFDDILVMAS-SNVBAGLBSA-N -1 0 293.323 2.317 20 5 CEBDRM C[C@H]1CCC[C@@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162422833 344467491 /nfs/dbraw/zinc/46/74/91/344467491.db2.gz GBSXTJAEZAYBHI-CBAPKCEASA-N -1 0 265.269 2.289 20 5 CEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000166777786 344477147 /nfs/dbraw/zinc/47/71/47/344477147.db2.gz ODNXXJZGRDNPQF-OCAPTIKFSA-N -1 0 297.336 2.018 20 5 CEBDRM O=C([O-])c1cc(N2CCO[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000227164922 344551938 /nfs/dbraw/zinc/55/19/38/344551938.db2.gz GTOXRZJXUZCOMQ-OLZOCXBDSA-N -1 0 292.291 2.051 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000591561589 345264132 /nfs/dbraw/zinc/26/41/32/345264132.db2.gz RIHJBBHKJMNURG-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1C(=O)[O-] ZINC000592421662 345351039 /nfs/dbraw/zinc/35/10/39/345351039.db2.gz TYUDUTMTIRHJEL-JGVFFNPUSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@H]1C(=O)[O-] ZINC000592421661 345351133 /nfs/dbraw/zinc/35/11/33/345351133.db2.gz TYUDUTMTIRHJEL-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM CC(C)O[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000592132929 345327384 /nfs/dbraw/zinc/32/73/84/345327384.db2.gz BYKIZHZDJIICAX-CYBMUJFWSA-N -1 0 280.324 2.300 20 5 CEBDRM CC[C@H]1C[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000592972539 345417098 /nfs/dbraw/zinc/41/70/98/345417098.db2.gz WWYUZEVOKJQGNZ-BDAKNGLRSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(NCCOC(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592973992 345417785 /nfs/dbraw/zinc/41/77/85/345417785.db2.gz ULLYDZXNXWNXCH-UHFFFAOYSA-N -1 0 282.296 2.438 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(F)(F)C1 ZINC000592786702 345396731 /nfs/dbraw/zinc/39/67/31/345396731.db2.gz XPPALCLIHRVLME-UHFFFAOYSA-N -1 0 292.625 2.045 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCC(F)(F)C1 ZINC000593789935 345539240 /nfs/dbraw/zinc/53/92/40/345539240.db2.gz XXLDTKOAUWJFBV-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000593834860 345544447 /nfs/dbraw/zinc/54/44/47/345544447.db2.gz JSHYZNIZEMAIEK-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000593836868 345544530 /nfs/dbraw/zinc/54/45/30/345544530.db2.gz YTRWSSMGYYOFTL-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593886378 345548186 /nfs/dbraw/zinc/54/81/86/345548186.db2.gz KSWIOHNJUPPNLB-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595247748 345747952 /nfs/dbraw/zinc/74/79/52/345747952.db2.gz OZZIIARFUZRHBQ-AWEZNQCLSA-N -1 0 292.291 2.211 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1NC[C@@H](C(=O)[O-])C(C)C ZINC000595969948 345919066 /nfs/dbraw/zinc/91/90/66/345919066.db2.gz RHGGWKZLYBJENM-SECBINFHSA-N -1 0 282.296 2.372 20 5 CEBDRM CC(C)(C(=O)[O-])n1cc(Nc2sccc2[N+](=O)[O-])cn1 ZINC000595978411 345920624 /nfs/dbraw/zinc/92/06/24/345920624.db2.gz LPPJMQBGBNOQSO-UHFFFAOYSA-N -1 0 296.308 2.416 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC(C)(C)C)n1 ZINC000516870040 313095768 /nfs/dbraw/zinc/09/57/68/313095768.db2.gz WBWYLMSZNJUYBD-UHFFFAOYSA-N -1 0 281.312 2.266 20 5 CEBDRM CCSC1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000598329966 346328611 /nfs/dbraw/zinc/32/86/11/346328611.db2.gz UXPBGXTWBAGSHV-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598388019 346344335 /nfs/dbraw/zinc/34/43/35/346344335.db2.gz WUOUFSMSQQMIGF-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000098129079 185691536 /nfs/dbraw/zinc/69/15/36/185691536.db2.gz NFEKCQQNDHAYKY-UHFFFAOYSA-N -1 0 253.258 2.146 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000600678579 346671955 /nfs/dbraw/zinc/67/19/55/346671955.db2.gz LMUJIZIVWACOOZ-GXFFZTMASA-N -1 0 292.291 2.272 20 5 CEBDRM C[C@H]1C[C@@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000601064395 346742386 /nfs/dbraw/zinc/74/23/86/346742386.db2.gz NASPMUWLPGNDJM-XVKPBYJWSA-N -1 0 292.270 2.274 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1F ZINC000611535887 347792532 /nfs/dbraw/zinc/79/25/32/347792532.db2.gz FCLKEFBRUDALPL-KWQFWETISA-N -1 0 282.271 2.121 20 5 CEBDRM CCn1nc(C)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000612413379 347882073 /nfs/dbraw/zinc/88/20/73/347882073.db2.gz BZJLPKCWVLOUED-UHFFFAOYSA-N -1 0 290.279 2.078 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086816124 179344011 /nfs/dbraw/zinc/34/40/11/179344011.db2.gz SPOWHFRXDYPFGC-NSHDSACASA-N -1 0 270.310 2.095 20 5 CEBDRM O=C(Nc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000619566786 349199854 /nfs/dbraw/zinc/19/98/54/349199854.db2.gz MYLPEHGOHHDFTJ-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM Cc1cc(NC2CCC(C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000092026355 180308456 /nfs/dbraw/zinc/30/84/56/180308456.db2.gz OUPGGDRBQJNSGO-UHFFFAOYSA-N -1 0 279.296 2.354 20 5 CEBDRM Cc1cc(SC[C@@H](C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026656 180308476 /nfs/dbraw/zinc/30/84/76/180308476.db2.gz DMRBZSXAAGAGRE-SSDOTTSWSA-N -1 0 256.283 2.111 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000153148460 188068073 /nfs/dbraw/zinc/06/80/73/188068073.db2.gz RMBLJWDCBFBHAX-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164158375 188620912 /nfs/dbraw/zinc/62/09/12/188620912.db2.gz WEEDTGQECALUJZ-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(F)F ZINC000452461900 283294538 /nfs/dbraw/zinc/29/45/38/283294538.db2.gz VVZABQRTTRTDQK-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM CCC(CC)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OC ZINC000294639360 199118308 /nfs/dbraw/zinc/11/83/08/199118308.db2.gz MAKGRVRYGRKHSU-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(=O)c1ccc([O-])c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294931253 199256246 /nfs/dbraw/zinc/25/62/46/199256246.db2.gz JAMKGZAFSGYDBD-UHFFFAOYSA-N -1 0 294.307 2.369 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000038027250 304082726 /nfs/dbraw/zinc/08/27/26/304082726.db2.gz XWQJLKPWVPVSSI-GFCCVEGCSA-N -1 0 264.281 2.428 20 5 CEBDRM O=C([O-])c1ccnc(N2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000579129907 366599489 /nfs/dbraw/zinc/59/94/89/366599489.db2.gz XGBKDTFJWZUAFS-UHFFFAOYSA-N -1 0 277.280 2.068 20 5 CEBDRM CC[C@@H](C)CN(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479367 366653156 /nfs/dbraw/zinc/65/31/56/366653156.db2.gz WZTCFDXNHKBVMY-MRVPVSSYSA-N -1 0 281.312 2.479 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000153749151 366737778 /nfs/dbraw/zinc/73/77/78/366737778.db2.gz HZUCWNGLOPGEKQ-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000019480064 361537009 /nfs/dbraw/zinc/53/70/09/361537009.db2.gz MZUWEQQYJUYWGT-UHFFFAOYSA-N -1 0 253.258 2.047 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCCC(=O)[O-])c1 ZINC000088147200 363878942 /nfs/dbraw/zinc/87/89/42/363878942.db2.gz FEZTVWMJOLIYDV-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM O=C([O-])[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000037418958 304110856 /nfs/dbraw/zinc/11/08/56/304110856.db2.gz VGTARHAQGVTVIV-MRVPVSSYSA-N -1 0 268.244 2.035 20 5 CEBDRM CC[C@H](C)[C@@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356561535 370755893 /nfs/dbraw/zinc/75/58/93/370755893.db2.gz CTFPPCUZNJQTKV-QPUJVOFHSA-N -1 0 282.296 2.300 20 5 CEBDRM CCC(CC)(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000094239852 364261527 /nfs/dbraw/zinc/26/15/27/364261527.db2.gz XKPLCJHZGNXIMS-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM C/C=C\C[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572163810 299349752 /nfs/dbraw/zinc/34/97/52/299349752.db2.gz BFHYVRYFEKJEMV-XOULXFPDSA-N -1 0 294.307 2.340 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160117704 366974822 /nfs/dbraw/zinc/97/48/22/366974822.db2.gz AGMRATALJZNYAH-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCC2CC2)n1 ZINC000583325013 367031714 /nfs/dbraw/zinc/03/17/14/367031714.db2.gz VLIYLSQFODJLDM-UHFFFAOYSA-N -1 0 279.296 2.233 20 5 CEBDRM COCc1n[n-]c(=N[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000341006261 367127719 /nfs/dbraw/zinc/12/77/19/367127719.db2.gz YNFPYWGELHEJTM-QMMMGPOBSA-N -1 0 294.336 2.188 20 5 CEBDRM Cc1occc1CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343275000 367739253 /nfs/dbraw/zinc/73/92/53/367739253.db2.gz SPMWFDCUNDDSTI-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184650989 368707699 /nfs/dbraw/zinc/70/76/99/368707699.db2.gz IVSPOZNHMGLCHC-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM O=[N+]([O-])c1cc(Cl)c[n-]c1=NOC[C@H]1CCOC1 ZINC000276263025 193262661 /nfs/dbraw/zinc/26/26/61/193262661.db2.gz SUAVZOZWKQGRHJ-ZETCQYMHSA-N -1 0 273.676 2.023 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3ccncc3)no2)cc1[O-] ZINC000350601115 369556103 /nfs/dbraw/zinc/55/61/03/369556103.db2.gz UYQIFPNTBYFRDV-UHFFFAOYSA-N -1 0 298.258 2.336 20 5 CEBDRM O=[N+]([O-])c1cc(Cl)c[n-]c1=NOC[C@@H]1CCOC1 ZINC000276263022 193263298 /nfs/dbraw/zinc/26/32/98/193263298.db2.gz SUAVZOZWKQGRHJ-SSDOTTSWSA-N -1 0 273.676 2.023 20 5 CEBDRM C[C@@H]1CCSCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000190027888 369589546 /nfs/dbraw/zinc/58/95/46/369589546.db2.gz YBDVMBDPVIFTRO-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM COc1cc(N2CC[C@@](C)(C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000227855501 370386550 /nfs/dbraw/zinc/38/65/50/370386550.db2.gz BHMMJCPXWSVOBR-CYBMUJFWSA-N -1 0 298.270 2.044 20 5 CEBDRM Cc1cc([N-]c2ncc([N+](=O)[O-])cn2)nn1[C@@H](C)C1CC1 ZINC000354572468 370416100 /nfs/dbraw/zinc/41/61/00/370416100.db2.gz IDOASOLFWTXBIY-VIFPVBQESA-N -1 0 288.311 2.026 20 5 CEBDRM C[C@@H]1[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1(F)F ZINC000361662641 372012893 /nfs/dbraw/zinc/01/28/93/372012893.db2.gz QYYABQYLIBTBPB-ANLVUFKYSA-N -1 0 272.207 2.140 20 5 CEBDRM CC(C)COCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269146811 372356791 /nfs/dbraw/zinc/35/67/91/372356791.db2.gz PUNPOQKUYZIUSD-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272643659 373597698 /nfs/dbraw/zinc/59/76/98/373597698.db2.gz FBGAVNVVHOPANY-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM CO[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000382052572 375182842 /nfs/dbraw/zinc/18/28/42/375182842.db2.gz YQLCZTYOBUOOSI-LBPRGKRZSA-N -1 0 282.296 2.376 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000380364804 375163205 /nfs/dbraw/zinc/16/32/05/375163205.db2.gz HNGJLNOUICFBBX-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000389208732 375300736 /nfs/dbraw/zinc/30/07/36/375300736.db2.gz SYTNGCCSZFIMAY-SNVBAGLBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000408374658 375463765 /nfs/dbraw/zinc/46/37/65/375463765.db2.gz IODJSDQSGIMHJL-ZANVPECISA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC2(CCC2)C1 ZINC000408161399 375420159 /nfs/dbraw/zinc/42/01/59/375420159.db2.gz MVNZKCFJMFEYFJ-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000408410023 375474990 /nfs/dbraw/zinc/47/49/90/375474990.db2.gz IEQAZLYCYMGAIF-SKDRFNHKSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000408410020 375475014 /nfs/dbraw/zinc/47/50/14/375475014.db2.gz IEQAZLYCYMGAIF-BXKDBHETSA-N -1 0 276.292 2.315 20 5 CEBDRM C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000560004346 376704620 /nfs/dbraw/zinc/70/46/20/376704620.db2.gz SSEUBQAZRMOXPN-UHFFFAOYSA-N -1 0 288.307 2.237 20 5 CEBDRM CO[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000565035787 377538598 /nfs/dbraw/zinc/53/85/98/377538598.db2.gz MGWOSIDQWVPOFY-ZDUSSCGKSA-N -1 0 294.307 2.059 20 5 CEBDRM O=c1[n-]c(CCCNc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000432316008 377742518 /nfs/dbraw/zinc/74/25/18/377742518.db2.gz UFSOIXPPYJNOPM-UHFFFAOYSA-N -1 0 297.702 2.117 20 5 CEBDRM C[C@H]1CC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000566975419 377788353 /nfs/dbraw/zinc/78/83/53/377788353.db2.gz CMPYMGREIRXMRD-WCBMZHEXSA-N -1 0 264.281 2.432 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000488694980 380121447 /nfs/dbraw/zinc/12/14/47/380121447.db2.gz GYIZLMOGGHUJHA-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM CC(C)SCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000286802543 196707925 /nfs/dbraw/zinc/70/79/25/196707925.db2.gz SSZNDHLDZKCIBK-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1c(C(=O)N(CCC(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000037584947 394497126 /nfs/dbraw/zinc/49/71/26/394497126.db2.gz FEOQPVPPWNKZPY-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM Cc1cccc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263221196 394628249 /nfs/dbraw/zinc/62/82/49/394628249.db2.gz PDEANEPEFQTDFJ-MWLCHTKSSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC000422557078 394708972 /nfs/dbraw/zinc/70/89/72/394708972.db2.gz IJVRDJQOVKQRFZ-GZMMTYOYSA-N -1 0 293.323 2.154 20 5 CEBDRM C[C@H]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436914373 395162780 /nfs/dbraw/zinc/16/27/80/395162780.db2.gz LCCHFIUOOFBDKH-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NC[C@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184674629 395274026 /nfs/dbraw/zinc/27/40/26/395274026.db2.gz YWFPSXRAYDOURY-LLVKDONJSA-N -1 0 298.298 2.370 20 5 CEBDRM C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000567865967 395537379 /nfs/dbraw/zinc/53/73/79/395537379.db2.gz KCXBKEHEODIPHB-DTWKUNHWSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1cc(NCC[C@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572845492 395590764 /nfs/dbraw/zinc/59/07/64/395590764.db2.gz VACVGEQTNWODHU-JTQLQIEISA-N -1 0 294.307 2.440 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000230688085 153397450 /nfs/dbraw/zinc/39/74/50/153397450.db2.gz AZTCLKOENRIMGB-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM COc1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000263090237 154015714 /nfs/dbraw/zinc/01/57/14/154015714.db2.gz CCDGLTGGNYVXTE-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263287162 154049753 /nfs/dbraw/zinc/04/97/53/154049753.db2.gz YFJLRYJWQFLYBL-JTQLQIEISA-N -1 0 294.307 2.004 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000235321314 296731077 /nfs/dbraw/zinc/73/10/77/296731077.db2.gz HFFJJEDROAMISU-SCZZXKLOSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(CCCC(=O)[O-])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343119 172135390 /nfs/dbraw/zinc/13/53/90/172135390.db2.gz NWNAUMRJIJYIEQ-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000037378458 173165984 /nfs/dbraw/zinc/16/59/84/173165984.db2.gz QBWVPFDGNGYVNK-ZETCQYMHSA-N -1 0 261.237 2.028 20 5 CEBDRM CC(C)(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000039649724 174171849 /nfs/dbraw/zinc/17/18/49/174171849.db2.gz UOCIEXXAJHNMDC-UHFFFAOYSA-N -1 0 266.253 2.034 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCCCC1 ZINC000236560275 304500961 /nfs/dbraw/zinc/50/09/61/304500961.db2.gz NKPUNOCFVDYNDH-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000133736137 280004200 /nfs/dbraw/zinc/00/42/00/280004200.db2.gz PYIAIIFSLYCWQM-DTWKUNHWSA-N -1 0 280.280 2.269 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336813706 281115474 /nfs/dbraw/zinc/11/54/74/281115474.db2.gz VGNCZUSSPJLOMB-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)S1 ZINC000162435156 297452420 /nfs/dbraw/zinc/45/24/20/297452420.db2.gz YDKOGHFYQANLDS-YUMQZZPRSA-N -1 0 297.336 2.018 20 5 CEBDRM C/C=C/C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000565400053 298900797 /nfs/dbraw/zinc/90/07/97/298900797.db2.gz OOFWGIMQXRJXIC-VUDBWIFFSA-N -1 0 293.279 2.136 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566380406 298974874 /nfs/dbraw/zinc/97/48/74/298974874.db2.gz LQLMUHAKPKIBLH-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(Cc1ccccc1O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182087587 312806238 /nfs/dbraw/zinc/80/62/38/312806238.db2.gz IFMXYAUDDHUGNU-UHFFFAOYSA-N -1 0 288.259 2.187 20 5 CEBDRM COC1CCC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000563206845 313722587 /nfs/dbraw/zinc/72/25/87/313722587.db2.gz IYGFPRSZMKMEEW-UHFFFAOYSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H](CCCO)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000564571347 313767965 /nfs/dbraw/zinc/76/79/65/313767965.db2.gz FVPBMDOWOZGXAW-SNVBAGLBSA-N -1 0 296.323 2.042 20 5 CEBDRM CC(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006255957 321693541 /nfs/dbraw/zinc/69/35/41/321693541.db2.gz PVYJTHDFRCNNNH-NSHDSACASA-N -1 0 295.295 2.216 20 5 CEBDRM C[C@H]1CSCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000379467106 321825948 /nfs/dbraw/zinc/82/59/48/321825948.db2.gz KORPYJJDIDDPFC-SECBINFHSA-N -1 0 296.348 2.482 20 5 CEBDRM CC[C@@H](CSC)N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000383783213 321849479 /nfs/dbraw/zinc/84/94/79/321849479.db2.gz LHSJQSDHKAWFRY-QMMMGPOBSA-N -1 0 299.352 2.266 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCCOCC2)c1 ZINC000383765439 321849615 /nfs/dbraw/zinc/84/96/15/321849615.db2.gz MHKPNAZTJSAGID-JTQLQIEISA-N -1 0 280.280 2.274 20 5 CEBDRM Cc1ccnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164241072 534402451 /nfs/dbraw/zinc/40/24/51/534402451.db2.gz GBNGXQOQDICUOV-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCCCO[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183918946 520841948 /nfs/dbraw/zinc/84/19/48/520841948.db2.gz UCLKCJBHBLZVDC-SECBINFHSA-N -1 0 282.296 2.444 20 5 CEBDRM CCC(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183358715 521349229 /nfs/dbraw/zinc/34/92/29/521349229.db2.gz VKCWUNODZCQJFQ-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000182557238 522613054 /nfs/dbraw/zinc/61/30/54/522613054.db2.gz SBYWEVGAEKEROC-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM CO[C@H](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000184136031 523864848 /nfs/dbraw/zinc/86/48/48/523864848.db2.gz KZLMSPBTUDORGC-MRVPVSSYSA-N -1 0 268.269 2.054 20 5 CEBDRM CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179411291 528560761 /nfs/dbraw/zinc/56/07/61/528560761.db2.gz HKFMQPLUZGVNIV-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM COCCCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737760304 574509009 /nfs/dbraw/zinc/50/90/09/574509009.db2.gz RKQMJDHRDXIUIY-UHFFFAOYSA-N -1 0 283.280 2.489 20 5 CEBDRM C[C@H](C(=O)[N-]OCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000759328278 574516166 /nfs/dbraw/zinc/51/61/66/574516166.db2.gz PKZNAFNUSMGTDV-LURJTMIESA-N -1 0 292.213 2.150 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736941031 574799894 /nfs/dbraw/zinc/79/98/94/574799894.db2.gz VFVFDBAZOIUPIB-LLVKDONJSA-N -1 0 292.291 2.308 20 5 CEBDRM CCC[C@@H](O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736971440 574800811 /nfs/dbraw/zinc/80/08/11/574800811.db2.gz BVIXXIRSRPARBX-JPVGGKMYSA-N -1 0 294.307 2.266 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000739585616 574927629 /nfs/dbraw/zinc/92/76/29/574927629.db2.gz BYORRAJNTNUWGF-QMMMGPOBSA-N -1 0 285.325 2.235 20 5 CEBDRM CN(C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739663797 574930349 /nfs/dbraw/zinc/93/03/49/574930349.db2.gz MKZJKAPTLGYCGW-SECBINFHSA-N -1 0 297.286 2.170 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC(CNC(=O)[O-])CC1 ZINC000740175843 574946755 /nfs/dbraw/zinc/94/67/55/574946755.db2.gz SSXYMGAKPUPBQF-UHFFFAOYSA-N -1 0 293.323 2.387 20 5 CEBDRM O=C([O-])N(CCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000740488060 574956040 /nfs/dbraw/zinc/95/60/40/574956040.db2.gz BNWHJFWVZSYKNG-UHFFFAOYSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])NCCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000740652484 574963231 /nfs/dbraw/zinc/96/32/31/574963231.db2.gz OLUNRLPKXYEGQL-UHFFFAOYSA-N -1 0 290.279 2.213 20 5 CEBDRM CC(C)C[C@H](CNc1ccncc1[N+](=O)[O-])C(=O)[O-] ZINC000094703305 600816715 /nfs/dbraw/zinc/81/67/15/600816715.db2.gz RDDCCBRNUOSKIU-SECBINFHSA-N -1 0 267.285 2.149 20 5 CEBDRM CC[C@](C)(CO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000828685763 601140471 /nfs/dbraw/zinc/14/04/71/601140471.db2.gz QXHOUBSHBXOQPV-BRLPQQTGSA-N -1 0 294.307 2.266 20 5 CEBDRM Cc1cc(N2CCN(C(=O)[O-])CC2)c(Cl)cc1[N+](=O)[O-] ZINC000832891552 601197115 /nfs/dbraw/zinc/19/71/15/601197115.db2.gz YVGQJECDYWORLE-UHFFFAOYSA-N -1 0 299.714 2.357 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC1CCN(C(=O)[O-])CC1 ZINC000832905168 601198050 /nfs/dbraw/zinc/19/80/50/601198050.db2.gz FZQNVILBLLXZMT-UHFFFAOYSA-N -1 0 279.296 2.458 20 5 CEBDRM Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000036964511 601199880 /nfs/dbraw/zinc/19/98/80/601199880.db2.gz IXKSVLCXNNCBFE-JTQLQIEISA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000826008448 601371586 /nfs/dbraw/zinc/37/15/86/601371586.db2.gz IJEVLCBZKIRJSY-ZETCQYMHSA-N -1 0 278.264 2.278 20 5 CEBDRM CCCCC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000829346619 601383010 /nfs/dbraw/zinc/38/30/10/601383010.db2.gz BMBGAQLLVCLHRT-JTQLQIEISA-N -1 0 267.285 2.435 20 5 CEBDRM Cc1nc(C(=O)[O-])cn1Cc1cccc([N+](=O)[O-])c1C ZINC000832854889 601402141 /nfs/dbraw/zinc/40/21/41/601402141.db2.gz UNHVZVMXGRZCSB-UHFFFAOYSA-N -1 0 275.264 2.155 20 5 CEBDRM CC(C)[C@@H](CO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827077082 601410323 /nfs/dbraw/zinc/41/03/23/601410323.db2.gz NPHUCTCKFXAXRA-FVOPLDGLSA-N -1 0 294.307 2.121 20 5 CEBDRM O=C(C=C1CCC1)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833093222 601679596 /nfs/dbraw/zinc/67/95/96/601679596.db2.gz WEXQEGVOHRIZBN-UHFFFAOYSA-N -1 0 276.248 2.342 20 5 CEBDRM COCC[C@@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000234670006 601826167 /nfs/dbraw/zinc/82/61/67/601826167.db2.gz NVRFPZOULWJGID-MRVPVSSYSA-N -1 0 269.253 2.097 20 5 CEBDRM Cc1nc(N[C@@H](C(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000833001958 601946581 /nfs/dbraw/zinc/94/65/81/601946581.db2.gz FOBKFKPTFJTIOW-JTQLQIEISA-N -1 0 267.285 2.209 20 5 CEBDRM C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1C(=O)[O-] ZINC000826081852 603192981 /nfs/dbraw/zinc/19/29/81/603192981.db2.gz DPWUWNZRHMMMHU-QMMMGPOBSA-N -1 0 299.714 2.437 20 5 CEBDRM Cc1cnc(NCC2CCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000830634064 603207485 /nfs/dbraw/zinc/20/74/85/603207485.db2.gz IUAQFFJROFEQRH-UHFFFAOYSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1ccc(N2CCC(N(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000830339842 603445348 /nfs/dbraw/zinc/44/53/48/603445348.db2.gz GRQQFGZLEBLSRL-UHFFFAOYSA-N -1 0 293.323 2.482 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(SC[C@H](C)C(=O)[O-])n1 ZINC000162580351 604266616 /nfs/dbraw/zinc/26/66/16/604266616.db2.gz ZBKLTKCYMADSSO-LURJTMIESA-N -1 0 256.283 2.111 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(S[C@H](C)CC(=O)[O-])n1 ZINC000162580743 604266728 /nfs/dbraw/zinc/26/67/28/604266728.db2.gz DMKODDKZZHIXSB-SSDOTTSWSA-N -1 0 256.283 2.254 20 5 CEBDRM O=C([O-])c1ncccc1OCc1ccccc1[N+](=O)[O-] ZINC000048764086 604647612 /nfs/dbraw/zinc/64/76/12/604647612.db2.gz DEXXIMHATTYFSY-UHFFFAOYSA-N -1 0 274.232 2.267 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCCCN(C(=O)[O-])C2CC2)n1 ZINC000830428366 604861454 /nfs/dbraw/zinc/86/14/54/604861454.db2.gz UVPCSBVFJICLFA-UHFFFAOYSA-N -1 0 294.311 2.243 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc([N+](=O)[O-])c(C)c2)O1 ZINC000833581884 604887722 /nfs/dbraw/zinc/88/77/22/604887722.db2.gz ZIMCPZPYLICXRR-LLVKDONJSA-N -1 0 293.275 2.430 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000825845330 605481223 /nfs/dbraw/zinc/48/12/23/605481223.db2.gz ORRAFUHCVLWBIO-DTWKUNHWSA-N -1 0 297.286 2.359 20 5 CEBDRM Cc1ccc(NC(=O)CCCCNC(=O)[O-])cc1[N+](=O)[O-] ZINC000833906120 605901482 /nfs/dbraw/zinc/90/14/82/605901482.db2.gz XLZYWYKMZJXUPC-UHFFFAOYSA-N -1 0 295.295 2.280 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000234020336 622891868 /nfs/dbraw/zinc/89/18/68/622891868.db2.gz WVBBXTFVLJMCCL-VIFPVBQESA-N -1 0 274.223 2.172 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000121841987 624597355 /nfs/dbraw/zinc/59/73/55/624597355.db2.gz RUAVCTUITMCHQX-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000236427933 625936815 /nfs/dbraw/zinc/93/68/15/625936815.db2.gz QDNCDGBWKIYQOT-QMMMGPOBSA-N -1 0 299.714 2.477 20 5 CEBDRM C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@@H]1CCCCO1 ZINC000893505632 628660113 /nfs/dbraw/zinc/66/01/13/628660113.db2.gz ORVZLBVIEOCCGN-ONGXEEELSA-N -1 0 282.296 2.285 20 5 CEBDRM O=C(OC[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000893625748 628828017 /nfs/dbraw/zinc/82/80/17/628828017.db2.gz KGDKXJHLNUZPAJ-PELKAZGASA-N -1 0 250.254 2.270 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000263282198 631396061 /nfs/dbraw/zinc/39/60/61/631396061.db2.gz XMVNVLGSZWSHKU-DTWKUNHWSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(=NOCCOC(C)C)[n-]1 ZINC000812488288 632537697 /nfs/dbraw/zinc/53/76/97/632537697.db2.gz CQCAWDGZGFTPTB-UHFFFAOYSA-N -1 0 255.274 2.067 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000816980993 633574775 /nfs/dbraw/zinc/57/47/75/633574775.db2.gz XQYSURSDJIOXQX-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM CC[C@@H](CNc1cc(C)sc1[N+](=O)[O-])C(=O)[O-] ZINC000900975867 633902704 /nfs/dbraw/zinc/90/27/04/633902704.db2.gz GSAFSUCSJVXWDZ-ZETCQYMHSA-N -1 0 258.299 2.487 20 5 CEBDRM Cc1cc(N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])s1 ZINC000900961517 633908086 /nfs/dbraw/zinc/90/80/86/633908086.db2.gz JHGJTRAQGOGMNT-ZCFIWIBFSA-N -1 0 258.299 2.122 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000834653353 637905686 /nfs/dbraw/zinc/90/56/86/637905686.db2.gz BFRCUNBWKMNFCH-BDAKNGLRSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C(CC1CC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837417954 639221142 /nfs/dbraw/zinc/22/11/42/639221142.db2.gz AIOTVWBPMRVRLF-UHFFFAOYSA-N -1 0 251.238 2.144 20 5 CEBDRM O=C(CC[C@H]1CCOC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837568696 639287139 /nfs/dbraw/zinc/28/71/39/639287139.db2.gz WWUNSVGEBMUMHY-JTQLQIEISA-N -1 0 295.291 2.160 20 5 CEBDRM CC(=O)c1cc(NCC(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000841507511 639779073 /nfs/dbraw/zinc/77/90/73/639779073.db2.gz BACZOGDJTIBTCW-UHFFFAOYSA-N -1 0 280.280 2.320 20 5 CEBDRM Cc1cc(N2CC(C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC000841509055 639780335 /nfs/dbraw/zinc/78/03/35/639780335.db2.gz GJWUPANKQLSMKE-UHFFFAOYSA-N -1 0 270.672 2.077 20 5 CEBDRM CN(CC1CC1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844207483 640632378 /nfs/dbraw/zinc/63/23/78/640632378.db2.gz KGQBQLKIFCTUMH-UHFFFAOYSA-N -1 0 264.281 2.068 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000844218021 640634538 /nfs/dbraw/zinc/63/45/38/640634538.db2.gz KTSXZKRNLXWDES-KWQFWETISA-N -1 0 292.291 2.097 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCCC2)c1 ZINC000844218722 640635230 /nfs/dbraw/zinc/63/52/30/640635230.db2.gz NLVYIBIEWQLORK-UHFFFAOYSA-N -1 0 279.296 2.234 20 5 CEBDRM O=C(OCCCc1ccncc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918495196 640964810 /nfs/dbraw/zinc/96/48/10/640964810.db2.gz CAPDZJOBPFVIGO-UHFFFAOYSA-N -1 0 275.264 2.108 20 5 CEBDRM Cc1nonc1[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110266266 643204325 /nfs/dbraw/zinc/20/43/25/643204325.db2.gz BUOGQKMKQGPMLA-UHFFFAOYSA-N -1 0 282.643 2.192 20 5 CEBDRM C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000756037503 644596454 /nfs/dbraw/zinc/59/64/54/644596454.db2.gz KSPBZUSRTOBOMY-AYMMMOKOSA-N -1 0 268.269 2.036 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000863479193 646738474 /nfs/dbraw/zinc/73/84/74/646738474.db2.gz YWETXJOLDSXJDY-SNVBAGLBSA-N -1 0 290.275 2.383 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000774846802 646901984 /nfs/dbraw/zinc/90/19/84/646901984.db2.gz DZDDAFZALXECSF-IUCAKERBSA-N -1 0 252.270 2.372 20 5 CEBDRM O=c1[n-]c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000776432678 647062706 /nfs/dbraw/zinc/06/27/06/647062706.db2.gz QDRLNOGBIXTRNR-UHFFFAOYSA-N -1 0 286.700 2.364 20 5 CEBDRM O=C(NOC1CCCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000779321631 647311469 /nfs/dbraw/zinc/31/14/69/647311469.db2.gz JYWVUVVWYFZADY-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM COc1cc(NCC(C)(C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000213808355 652317612 /nfs/dbraw/zinc/31/76/12/652317612.db2.gz PHQHMTVAQBLNBU-UHFFFAOYSA-N -1 0 298.295 2.135 20 5 CEBDRM Cc1cccc2c1N[C@H](c1ccc([N+](=O)[O-])c([O-])c1)NC2=O ZINC000133716482 652706812 /nfs/dbraw/zinc/70/68/12/652706812.db2.gz IDFDAYUUUKQCDN-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000704786572 809752131 /nfs/dbraw/zinc/75/21/31/809752131.db2.gz OQZOPRJKMONZHW-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](CF)C1 ZINC000711468506 810074436 /nfs/dbraw/zinc/07/44/36/810074436.db2.gz IPXJORBIVFQLTQ-SECBINFHSA-N -1 0 282.271 2.122 20 5 CEBDRM CON(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)C ZINC001118737887 815039404 /nfs/dbraw/zinc/03/94/04/815039404.db2.gz YEABQOLWVCNUAM-UHFFFAOYSA-N -1 0 288.687 2.366 20 5 CEBDRM CCCOCCNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000714944500 807443339 /nfs/dbraw/zinc/44/33/39/807443339.db2.gz DVXHADFMQRYOEF-UHFFFAOYSA-N -1 0 268.269 2.132 20 5 CEBDRM CC(C)CCOCCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000918534841 807975712 /nfs/dbraw/zinc/97/57/12/807975712.db2.gz VOTOVIMLQAFFTJ-UHFFFAOYSA-N -1 0 270.285 2.142 20 5 CEBDRM O=c1nc(O[C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231076056 810588612 /nfs/dbraw/zinc/58/86/12/810588612.db2.gz KHPIIYOSWILWDM-PHDIDXHHSA-N -1 0 291.666 2.403 20 5 CEBDRM O=c1cc(CNc2cc3cccnc3c([N+](=O)[O-])c2)o[n-]1 ZINC001169484932 811530513 /nfs/dbraw/zinc/53/05/13/811530513.db2.gz CGJVVCDBLBQXTH-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM O=C([O-])c1ccc(Nc2c(F)cncc2F)cc1[N+](=O)[O-] ZINC001174502421 816029535 /nfs/dbraw/zinc/02/95/35/816029535.db2.gz NXRIXNHDUHKHEN-UHFFFAOYSA-N -1 0 295.201 2.132 20 5 CEBDRM Cc1ncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc1C ZINC001174503137 816029955 /nfs/dbraw/zinc/02/99/55/816029955.db2.gz FDOODOGVDISWGB-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM Nc1cncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176675023 816454094 /nfs/dbraw/zinc/45/40/94/816454094.db2.gz QRUSJCSBSQQAEM-UHFFFAOYSA-N -1 0 274.236 2.014 20 5 CEBDRM O=C([O-])c1cc(Nc2ccccn2)cc([N+](=O)[O-])c1 ZINC001176673209 816454236 /nfs/dbraw/zinc/45/42/36/816454236.db2.gz UEVVBNGJJGFMIQ-UHFFFAOYSA-N -1 0 259.221 2.432 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001176971965 816503779 /nfs/dbraw/zinc/50/37/79/816503779.db2.gz WKZJHFAKJVLUIM-GHMZBOCLSA-N -1 0 280.324 2.300 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1C ZINC000037589504 361906943 /nfs/dbraw/zinc/90/69/43/361906943.db2.gz SGFCGYLEJHEJDU-SECBINFHSA-N -1 0 294.307 2.229 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CCC2 ZINC000601939585 346933630 /nfs/dbraw/zinc/93/36/30/346933630.db2.gz MVQIHUZVULBAGA-SECBINFHSA-N -1 0 259.265 2.406 20 5 CEBDRM COCCCn1ccc([N-]c2nccc(C)c2[N+](=O)[O-])n1 ZINC000078334476 343947676 /nfs/dbraw/zinc/94/76/76/343947676.db2.gz JADPQIKBRNNQMK-UHFFFAOYSA-N -1 0 291.311 2.275 20 5 CEBDRM CC(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000048818286 362305754 /nfs/dbraw/zinc/30/57/54/362305754.db2.gz LNBATHCHXYMFIH-UHFFFAOYSA-N -1 0 282.281 2.415 20 5 CEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000137190020 344386736 /nfs/dbraw/zinc/38/67/36/344386736.db2.gz PFJRSPAUDCNCSS-MRVPVSSYSA-N -1 0 282.321 2.235 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CCC1 ZINC000143813160 344406372 /nfs/dbraw/zinc/40/63/72/344406372.db2.gz XDBOGCBBLJWDGR-UHFFFAOYSA-N -1 0 250.254 2.282 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-] ZINC000162035334 344466538 /nfs/dbraw/zinc/46/65/38/344466538.db2.gz CMAWPVVBXRBJHQ-UISBYWKRSA-N -1 0 278.264 2.025 20 5 CEBDRM CCC(CC)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164539035 344472602 /nfs/dbraw/zinc/47/26/02/344472602.db2.gz RNYMBTNATWQMJK-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCC1(C(=O)[O-])CCCC1 ZINC000165373905 344474175 /nfs/dbraw/zinc/47/41/75/344474175.db2.gz VSHBJKWCVMKOSF-UHFFFAOYSA-N -1 0 279.296 2.355 20 5 CEBDRM CCC[C@@H]1C[C@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000233311501 344581175 /nfs/dbraw/zinc/58/11/75/344581175.db2.gz INYAREAKFRDTTO-VXNVDRBHSA-N -1 0 265.269 2.289 20 5 CEBDRM CCOc1cc(N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000252606282 344640699 /nfs/dbraw/zinc/64/06/99/344640699.db2.gz QMBIJLGERVKYFT-KOLCDFICSA-N -1 0 294.307 2.293 20 5 CEBDRM O=C(NC/C=C\c1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000590565906 345145799 /nfs/dbraw/zinc/14/57/99/345145799.db2.gz UCFGCMTWUKEPNK-RQOWECAXSA-N -1 0 299.286 2.139 20 5 CEBDRM C[C@@H](CCO)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000591128508 345223161 /nfs/dbraw/zinc/22/31/61/345223161.db2.gz CAHKHSYQULWEGO-QMMMGPOBSA-N -1 0 257.311 2.305 20 5 CEBDRM CCOC(=O)c1cc(N[C@@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592421648 345351150 /nfs/dbraw/zinc/35/11/50/345351150.db2.gz YCGRBTSUQFNKOK-JTQLQIEISA-N -1 0 296.279 2.047 20 5 CEBDRM Cc1cc(N[C@H]2C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970180 345417179 /nfs/dbraw/zinc/41/71/79/345417179.db2.gz RRMSGMLVXUWYQZ-LDWIPMOCSA-N -1 0 250.254 2.422 20 5 CEBDRM Cc1cc(NC[C@H](O)C(C)(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972532 345417235 /nfs/dbraw/zinc/41/72/35/345417235.db2.gz VIGZBBBGRXJMME-NSHDSACASA-N -1 0 296.323 2.420 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](F)C1 ZINC000592800925 345397812 /nfs/dbraw/zinc/39/78/12/345397812.db2.gz DMZIOUJKWKAPNT-ZETCQYMHSA-N -1 0 288.662 2.138 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC(F)F ZINC000592825629 345400462 /nfs/dbraw/zinc/40/04/62/345400462.db2.gz CAXJKMGTGMMQBF-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM Cc1cccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000593758329 345533643 /nfs/dbraw/zinc/53/36/43/345533643.db2.gz KEVYBGNSYKKJDD-NWDGAFQWSA-N -1 0 290.319 2.450 20 5 CEBDRM CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC=CC1 ZINC000594382582 345619496 /nfs/dbraw/zinc/61/94/96/345619496.db2.gz HPFOSLABKVBILE-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000594734796 345681194 /nfs/dbraw/zinc/68/11/94/345681194.db2.gz FJDAPJSGCPSRAA-ZJUUUORDSA-N -1 0 294.307 2.297 20 5 CEBDRM O=C(NCc1ccccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163996237 232261363 /nfs/dbraw/zinc/26/13/63/232261363.db2.gz UDFFYQBDADENIR-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CN(CC1=CCSC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595888780 345906651 /nfs/dbraw/zinc/90/66/51/345906651.db2.gz ONJAABVMCWRIQF-UHFFFAOYSA-N -1 0 280.349 2.405 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000597159519 346138853 /nfs/dbraw/zinc/13/88/53/346138853.db2.gz MWZGKUDNBGQPPE-DTWKUNHWSA-N -1 0 292.291 2.164 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000597491573 346193033 /nfs/dbraw/zinc/19/30/33/346193033.db2.gz OCMRFJXQTFENBN-BRPSZJMVSA-N -1 0 262.265 2.285 20 5 CEBDRM CO[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000597491272 346193295 /nfs/dbraw/zinc/19/32/95/346193295.db2.gz IHWMWHFSMOZCNR-SCZZXKLOSA-N -1 0 280.280 2.054 20 5 CEBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000597757159 346226914 /nfs/dbraw/zinc/22/69/14/346226914.db2.gz DVSXAEAOIRXXNO-UHFFFAOYSA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598207046 346305539 /nfs/dbraw/zinc/30/55/39/346305539.db2.gz FAIXEBXINVHGLW-ZMLRMANQSA-N -1 0 290.319 2.466 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598549814 346373535 /nfs/dbraw/zinc/37/35/35/346373535.db2.gz DVZZCYYVEIKMCP-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598514577 346369098 /nfs/dbraw/zinc/36/90/98/346369098.db2.gz CWMNTTIVZSHQRD-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000062843592 362724341 /nfs/dbraw/zinc/72/43/41/362724341.db2.gz KWPBBJTZKNHTFW-UHFFFAOYSA-N -1 0 282.271 2.425 20 5 CEBDRM CCC[C@@H](OCC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000599714183 346573158 /nfs/dbraw/zinc/57/31/58/346573158.db2.gz SWSCTODGOWPBEG-GFCCVEGCSA-N -1 0 282.296 2.444 20 5 CEBDRM CCO[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000599750224 346576966 /nfs/dbraw/zinc/57/69/66/346576966.db2.gz HFLJGZHBAAOUKT-LBPRGKRZSA-N -1 0 280.280 2.054 20 5 CEBDRM CCC(F)(F)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000600379222 346636546 /nfs/dbraw/zinc/63/65/46/346636546.db2.gz CPYCHUGYUHHVAV-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000128431308 187370645 /nfs/dbraw/zinc/37/06/45/187370645.db2.gz LNWNDXUURPYBDK-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(Nc1ccc(F)cn1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000159297053 304002555 /nfs/dbraw/zinc/00/25/55/304002555.db2.gz GRSUWHUEDQBTQI-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000088147238 179556029 /nfs/dbraw/zinc/55/60/29/179556029.db2.gz GXQNXHNSBLXZKR-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000617767704 348785948 /nfs/dbraw/zinc/78/59/48/348785948.db2.gz YOXWODXHRAMVKX-MRVPVSSYSA-N -1 0 292.291 2.211 20 5 CEBDRM COc1cc(N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC000110624984 186306757 /nfs/dbraw/zinc/30/67/57/186306757.db2.gz MBNLQZPWKWSHAK-CYBMUJFWSA-N -1 0 298.270 2.044 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1C(=O)[O-] ZINC000110987512 186339060 /nfs/dbraw/zinc/33/90/60/186339060.db2.gz QQKPEAIZPDVGBD-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(CCF)CC1 ZINC000292243897 198216145 /nfs/dbraw/zinc/21/61/45/198216145.db2.gz RVUPWBYFQMWDQQ-UHFFFAOYSA-N -1 0 268.244 2.379 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164991175 188629173 /nfs/dbraw/zinc/62/91/73/188629173.db2.gz KBVNFLQCCLTMRI-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)(F)F ZINC000452461429 283294239 /nfs/dbraw/zinc/29/42/39/283294239.db2.gz UPJZXCDRYKCTSX-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC=C(C)CC2)n1 ZINC000577853674 366407177 /nfs/dbraw/zinc/40/71/77/366407177.db2.gz PRPWJNOCIKDGBW-UHFFFAOYSA-N -1 0 277.280 2.153 20 5 CEBDRM Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000135210365 366409867 /nfs/dbraw/zinc/40/98/67/366409867.db2.gz NVSRPRACCDNQPO-GFCCVEGCSA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1cc(NC[C@@H](C)C[C@@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578656250 366529109 /nfs/dbraw/zinc/52/91/09/366529109.db2.gz NJXHZECBYHJTHC-WCBMZHEXSA-N -1 0 296.323 2.420 20 5 CEBDRM COC(C)(C)C[C@@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579248267 366617709 /nfs/dbraw/zinc/61/77/09/366617709.db2.gz RMILNVHZLJOJCI-MRVPVSSYSA-N -1 0 297.311 2.304 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356372071 370682592 /nfs/dbraw/zinc/68/25/92/370682592.db2.gz XKDXYBDTYNDNRN-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000013168321 361422194 /nfs/dbraw/zinc/42/21/94/361422194.db2.gz TVWYBBRKNQCOHM-UHFFFAOYSA-N -1 0 298.320 2.174 20 5 CEBDRM CC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183491680 189359924 /nfs/dbraw/zinc/35/99/24/189359924.db2.gz NKMIQGXWBZIJBC-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000028200029 361668358 /nfs/dbraw/zinc/66/83/58/361668358.db2.gz FKAMPSGLAAMPOG-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000156471462 366833953 /nfs/dbraw/zinc/83/39/53/366833953.db2.gz DRZPOKFHTLFVTB-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000245592009 370846569 /nfs/dbraw/zinc/84/65/69/370846569.db2.gz HEHBZGFFJOVOKC-GDGBQDQQSA-N -1 0 262.265 2.285 20 5 CEBDRM COCC1=CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000167745488 367342472 /nfs/dbraw/zinc/34/24/72/367342472.db2.gz VTVGVPZEMUWCQZ-UHFFFAOYSA-N -1 0 292.291 2.076 20 5 CEBDRM O=C([N-]c1nncs1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343493551 367844949 /nfs/dbraw/zinc/84/49/49/367844949.db2.gz AIEWKHHLUCPGDK-UHFFFAOYSA-N -1 0 290.260 2.445 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C[C@@H]21 ZINC000178451617 368300895 /nfs/dbraw/zinc/30/08/95/368300895.db2.gz ACWFYPBGNGUMPH-AOOOYVTPSA-N -1 0 276.292 2.028 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000182811164 368592405 /nfs/dbraw/zinc/59/24/05/368592405.db2.gz XBFYFUZYFCIQSK-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM O=C(NC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183588314 368633043 /nfs/dbraw/zinc/63/30/43/368633043.db2.gz RUTWBAHCYLAMFH-UHFFFAOYSA-N -1 0 298.298 2.198 20 5 CEBDRM CO[C@H]1CCC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000346333899 368640156 /nfs/dbraw/zinc/64/01/56/368640156.db2.gz WFUOCSDZTWKQCW-KOLCDFICSA-N -1 0 294.307 2.444 20 5 CEBDRM CO[C@H]1CCC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000346333905 368640181 /nfs/dbraw/zinc/64/01/81/368640181.db2.gz WFUOCSDZTWKQCW-ONGXEEELSA-N -1 0 294.307 2.444 20 5 CEBDRM CCN(CC1CC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186330391 368958984 /nfs/dbraw/zinc/95/89/84/368958984.db2.gz ZXFQAOYUPOOMFN-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000348503802 369063876 /nfs/dbraw/zinc/06/38/76/369063876.db2.gz CMIPKKYBYCZRAK-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CC(C)Cc1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000349140919 369249930 /nfs/dbraw/zinc/24/99/30/369249930.db2.gz BQVCRKXJMANXRU-UHFFFAOYSA-N -1 0 294.286 2.349 20 5 CEBDRM Cc1ccn(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000190321250 369612727 /nfs/dbraw/zinc/61/27/27/369612727.db2.gz RTQBVZNYJBDXEP-UHFFFAOYSA-N -1 0 275.264 2.200 20 5 CEBDRM CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000194738398 370070529 /nfs/dbraw/zinc/07/05/29/370070529.db2.gz VUBRRQXHXQAJIP-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233823248 370524196 /nfs/dbraw/zinc/52/41/96/370524196.db2.gz FTABORYLNZMVSO-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM Cc1ccncc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235784116 370578493 /nfs/dbraw/zinc/57/84/93/370578493.db2.gz PIAKGXTTWFZVHJ-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1ccnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000235928677 370580985 /nfs/dbraw/zinc/58/09/85/370580985.db2.gz FKLOVTOXWOGWIF-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1ccncc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361650405 372002735 /nfs/dbraw/zinc/00/27/35/372002735.db2.gz ATNBWBLJKLTZIH-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OC ZINC000362977113 372602139 /nfs/dbraw/zinc/60/21/39/372602139.db2.gz OSNIMSYPBUROJY-RNCFNFMXSA-N -1 0 296.323 2.091 20 5 CEBDRM CCCN(CC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272572625 373558198 /nfs/dbraw/zinc/55/81/98/373558198.db2.gz NGXWJQIVVQBZBK-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272606494 373577021 /nfs/dbraw/zinc/57/70/21/373577021.db2.gz VHUNULLGAATWNJ-SECBINFHSA-N -1 0 284.337 2.172 20 5 CEBDRM C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000274856157 374072191 /nfs/dbraw/zinc/07/21/91/374072191.db2.gz BUCUKFFFQWQQKH-DTWKUNHWSA-N -1 0 280.280 2.054 20 5 CEBDRM CC(F)(F)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277260742 374456224 /nfs/dbraw/zinc/45/62/24/374456224.db2.gz FZAABHYGHUASAY-UHFFFAOYSA-N -1 0 260.196 2.284 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCC2(CC2)C1 ZINC000376157731 374696975 /nfs/dbraw/zinc/69/69/75/374696975.db2.gz RPSSBRSOYDEORP-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000287987085 376355587 /nfs/dbraw/zinc/35/55/87/376355587.db2.gz HEDUZBCTJOXROA-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2F)n1 ZINC000563214399 377131156 /nfs/dbraw/zinc/13/11/56/377131156.db2.gz RVOKTBNESBCQCD-DTWKUNHWSA-N -1 0 283.259 2.299 20 5 CEBDRM CC[C@H](CCO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000563887885 377311814 /nfs/dbraw/zinc/31/18/14/377311814.db2.gz DGXRCQFGKVHXJS-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM CC(C)[C@H](O)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564800019 377457183 /nfs/dbraw/zinc/45/71/83/377457183.db2.gz ATQUFBRGKJGFLG-GFCCVEGCSA-N -1 0 282.296 2.112 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427930888 377467705 /nfs/dbraw/zinc/46/77/05/377467705.db2.gz SUYXXUYFVUSULA-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000565036005 377537912 /nfs/dbraw/zinc/53/79/12/377537912.db2.gz OORFQASHQOUJLD-CABZTGNLSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCSC[C@H](C(=O)[O-])C2)c1 ZINC000565040378 377539983 /nfs/dbraw/zinc/53/99/83/377539983.db2.gz AEWBJISPUOCXSY-SNVBAGLBSA-N -1 0 296.348 2.157 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000293809200 377766845 /nfs/dbraw/zinc/76/68/45/377766845.db2.gz UFKBCCZXNVBVOD-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM O=[N+]([O-])c1cccc(NS(=O)(=O)CCCCF)c1 ZINC000294212567 377942822 /nfs/dbraw/zinc/94/28/22/377942822.db2.gz MQCDSZSHRIDWCO-UHFFFAOYSA-N -1 0 276.289 2.086 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(CF)CCOCC1 ZINC000450537060 378464322 /nfs/dbraw/zinc/46/43/22/378464322.db2.gz BWWMKMRAUQCSAC-UHFFFAOYSA-N -1 0 298.270 2.005 20 5 CEBDRM CCOC(=O)c1cc(N[C@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574664624 299515977 /nfs/dbraw/zinc/51/59/77/299515977.db2.gz YCGRBTSUQFNKOK-SNVBAGLBSA-N -1 0 296.279 2.047 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1ncon1 ZINC000555337279 380822957 /nfs/dbraw/zinc/82/29/57/380822957.db2.gz GQRGCYBDROAIAP-GFCCVEGCSA-N -1 0 290.279 2.021 20 5 CEBDRM CCC(C)(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281292733 195183744 /nfs/dbraw/zinc/18/37/44/195183744.db2.gz YARKKXAXJMADIU-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000048771141 394528398 /nfs/dbraw/zinc/52/83/98/394528398.db2.gz NFFOLTALZFUXPX-LLVKDONJSA-N -1 0 259.265 2.488 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000421922847 394639354 /nfs/dbraw/zinc/63/93/54/394639354.db2.gz URZURIUCHFXZCY-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC1(C)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132395311 394929850 /nfs/dbraw/zinc/92/98/50/394929850.db2.gz JCADZDVZZDJCMI-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cs1 ZINC000436897451 395161116 /nfs/dbraw/zinc/16/11/16/395161116.db2.gz YNAOSXKNKJOTII-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436914372 395162682 /nfs/dbraw/zinc/16/26/82/395162682.db2.gz LCCHFIUOOFBDKH-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@@H]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436914371 395162873 /nfs/dbraw/zinc/16/28/73/395162873.db2.gz LCCHFIUOOFBDKH-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436956887 395166767 /nfs/dbraw/zinc/16/67/67/395166767.db2.gz URAWGHKZYJOAGV-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000436983817 395171768 /nfs/dbraw/zinc/17/17/68/395171768.db2.gz XXOJKIFTGDWHIY-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM CCOC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000191445968 395359528 /nfs/dbraw/zinc/35/95/28/395359528.db2.gz GQUVVPHWSKVPAA-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@H](Sc1n[nH]c(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000446066004 395480401 /nfs/dbraw/zinc/48/04/01/395480401.db2.gz GJLSKZNFBWQNSM-LURJTMIESA-N -1 0 266.282 2.272 20 5 CEBDRM Cc1cc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566009719 395495279 /nfs/dbraw/zinc/49/52/79/395495279.db2.gz IIKWJHOSGIUSQC-BXKDBHETSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(NCCC2(CO)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568395381 395557881 /nfs/dbraw/zinc/55/78/81/395557881.db2.gz IGTLRORFAMPWLK-UHFFFAOYSA-N -1 0 294.307 2.176 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000574277023 395627193 /nfs/dbraw/zinc/62/71/93/395627193.db2.gz LVCIBGRFWAZHIM-GXSJLCMTSA-N -1 0 294.307 2.150 20 5 CEBDRM COc1cc(N[C@H](C)CC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000227855190 153350150 /nfs/dbraw/zinc/35/01/50/153350150.db2.gz PGKXMNQSGBOIAW-ZCFIWIBFSA-N -1 0 272.232 2.018 20 5 CEBDRM CN(CCCC(=O)[O-])C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561918 153376016 /nfs/dbraw/zinc/37/60/16/153376016.db2.gz DOSAZCGXMMUJQB-UHFFFAOYSA-N -1 0 299.258 2.062 20 5 CEBDRM O=C([O-])CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000263375487 154066775 /nfs/dbraw/zinc/06/67/75/154066775.db2.gz BILBAVRDOSUQAV-UHFFFAOYSA-N -1 0 290.222 2.473 20 5 CEBDRM Cc1cc(NCC(=O)[O-])c([N+](=O)[O-])cc1C(F)(F)F ZINC000263452354 154092467 /nfs/dbraw/zinc/09/24/67/154092467.db2.gz AFYIRTPBNOWJQR-UHFFFAOYSA-N -1 0 278.186 2.419 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000355162349 286897043 /nfs/dbraw/zinc/89/70/43/286897043.db2.gz HHBJYSWCSJTTRY-SECBINFHSA-N -1 0 292.213 2.371 20 5 CEBDRM Cc1noc(C)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000170967405 162376899 /nfs/dbraw/zinc/37/68/99/162376899.db2.gz MGTWXSFWOGGSRW-ONEGZZNKSA-N -1 0 289.247 2.463 20 5 CEBDRM CC(C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000078880354 177399894 /nfs/dbraw/zinc/39/98/94/177399894.db2.gz BXDYVHMZBZNTKK-UHFFFAOYSA-N -1 0 266.253 2.034 20 5 CEBDRM C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)CC(=O)[O-] ZINC000520235181 265700451 /nfs/dbraw/zinc/70/04/51/265700451.db2.gz RSAHWKXOMJAAJC-QMMMGPOBSA-N -1 0 279.296 2.086 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000230688184 270314013 /nfs/dbraw/zinc/31/40/13/270314013.db2.gz ZFOHULKGXJOVSX-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000397160067 270351710 /nfs/dbraw/zinc/35/17/10/270351710.db2.gz SGEWXRNGEQZFCY-TZMCWYRMSA-N -1 0 278.308 2.465 20 5 CEBDRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000397121245 270351780 /nfs/dbraw/zinc/35/17/80/270351780.db2.gz MXDHGMRHENLYRF-GXTWGEPZSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCC2(F)F)C1 ZINC000436605216 271677379 /nfs/dbraw/zinc/67/73/79/271677379.db2.gz FQMGWYIMQUZZFR-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132182588 279972543 /nfs/dbraw/zinc/97/25/43/279972543.db2.gz WJRFXNUFWSPRLA-WCBMZHEXSA-N -1 0 264.281 2.219 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152571872 289093527 /nfs/dbraw/zinc/09/35/27/289093527.db2.gz HEWPCRUCHVQSKO-JTQLQIEISA-N -1 0 296.323 2.235 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000153483519 289114312 /nfs/dbraw/zinc/11/43/12/289114312.db2.gz WJZFTIDSSVPIDY-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000458283689 289909176 /nfs/dbraw/zinc/90/91/76/289909176.db2.gz QZIUMTUEBRPUMS-MIMYLULJSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000416317751 297752823 /nfs/dbraw/zinc/75/28/23/297752823.db2.gz DPYIUFNIHDWOEX-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563195218 298750188 /nfs/dbraw/zinc/75/01/88/298750188.db2.gz SWWPMJTULATGFX-VROVMSAKSA-N -1 0 296.710 2.482 20 5 CEBDRM Cc1cc(N(C)C2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566295087 298963880 /nfs/dbraw/zinc/96/38/80/298963880.db2.gz NLKWQGDRNGZEIN-UHFFFAOYSA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179481530 302290644 /nfs/dbraw/zinc/29/06/44/302290644.db2.gz PYJKDYUTDNSLBE-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cnc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)nc1 ZINC000350647247 312936582 /nfs/dbraw/zinc/93/65/82/312936582.db2.gz RMGZUVCCIBPUST-UHFFFAOYSA-N -1 0 299.246 2.116 20 5 CEBDRM C[C@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)[O-] ZINC000520811781 313122281 /nfs/dbraw/zinc/12/22/81/313122281.db2.gz UQNNLJJWRIWYER-SECBINFHSA-N -1 0 293.323 2.026 20 5 CEBDRM Cc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])o1 ZINC000532644563 313354072 /nfs/dbraw/zinc/35/40/72/313354072.db2.gz CWTZKKAYKJESTA-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM CC(=O)c1ccc(N[C@H]2CC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000563213134 313724008 /nfs/dbraw/zinc/72/40/08/313724008.db2.gz QEQLOAZAXXLITA-MNOVXSKESA-N -1 0 292.291 2.463 20 5 CEBDRM Cc1cc(N[C@H]2CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574208703 314197193 /nfs/dbraw/zinc/19/71/93/314197193.db2.gz SUSRBOACSUSBMO-VIFPVBQESA-N -1 0 280.280 2.192 20 5 CEBDRM Cc1cc(N[C@@H]2CO[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576878119 314319050 /nfs/dbraw/zinc/31/90/50/314319050.db2.gz YYTMEXMAMSNLDI-SCZZXKLOSA-N -1 0 280.280 2.191 20 5 CEBDRM CCCCOCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183907311 321723753 /nfs/dbraw/zinc/72/37/53/321723753.db2.gz CZGSYIZTFAULRO-UHFFFAOYSA-N -1 0 268.269 2.056 20 5 CEBDRM CSC[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583567141 322554419 /nfs/dbraw/zinc/55/44/19/322554419.db2.gz ISOFEUUFPIUTPO-ZETCQYMHSA-N -1 0 285.325 2.160 20 5 CEBDRM O=C(CCc1ccccn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180764075 534474401 /nfs/dbraw/zinc/47/44/01/534474401.db2.gz YARAPCHKSYACOA-UHFFFAOYSA-N -1 0 287.275 2.267 20 5 CEBDRM O=C([O-])[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000061609783 527647617 /nfs/dbraw/zinc/64/76/17/527647617.db2.gz DLNUARVYQXSANG-NSHDSACASA-N -1 0 287.275 2.270 20 5 CEBDRM CC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC000156984833 527978204 /nfs/dbraw/zinc/97/82/04/527978204.db2.gz KCHZVAJTIIKKPK-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=Cc1ccc(-c2cnc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000874971913 649877677 /nfs/dbraw/zinc/87/76/77/649877677.db2.gz DBUMJFMCDAXRFH-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM O=Cc1ccc(-c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000874972349 649877804 /nfs/dbraw/zinc/87/78/04/649877804.db2.gz ZCFKDLWTLHPHPU-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM O=Cc1cccc(-c2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC000874973541 649878007 /nfs/dbraw/zinc/87/80/07/649878007.db2.gz YBIJDRFJLWQONX-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM CCN(CCC(=O)[O-])Cc1c(F)cccc1[N+](=O)[O-] ZINC000737096932 574809577 /nfs/dbraw/zinc/80/95/77/574809577.db2.gz UOESZUDPIUYZDV-UHFFFAOYSA-N -1 0 270.260 2.031 20 5 CEBDRM Cc1ccc(NC(=O)CCCN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000738613998 574870510 /nfs/dbraw/zinc/87/05/10/574870510.db2.gz FQRYVFFYUSFLGL-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739057870 574891450 /nfs/dbraw/zinc/89/14/50/574891450.db2.gz JPPQSDRPGBJBGJ-MNOVXSKESA-N -1 0 293.323 2.340 20 5 CEBDRM C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739187373 574898481 /nfs/dbraw/zinc/89/84/81/574898481.db2.gz AFJTWPPSHYWPSD-DTORHVGOSA-N -1 0 297.286 2.311 20 5 CEBDRM C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739187378 574898914 /nfs/dbraw/zinc/89/89/14/574898914.db2.gz AFJTWPPSHYWPSD-RKDXNWHRSA-N -1 0 297.286 2.311 20 5 CEBDRM CN(CCCNC(=O)[O-])c1ccc([N+](=O)[O-])cc1Cl ZINC000739679575 574931030 /nfs/dbraw/zinc/93/10/30/574931030.db2.gz VOACFPTYBBHFIG-UHFFFAOYSA-N -1 0 287.703 2.342 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062132862 596900652 /nfs/dbraw/zinc/90/06/52/596900652.db2.gz FKGIPHWUNGLMHN-SSDOTTSWSA-N -1 0 270.672 2.159 20 5 CEBDRM C[C@@H](C(=O)[O-])N(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000817785145 597125913 /nfs/dbraw/zinc/12/59/13/597125913.db2.gz RRBGOYUGRYXNGC-LURJTMIESA-N -1 0 281.293 2.114 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000739558532 600209448 /nfs/dbraw/zinc/20/94/48/600209448.db2.gz MDOFFNIPALPMNL-IUCAKERBSA-N -1 0 299.666 2.012 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C(=O)[O-])o1 ZINC000094554899 600503339 /nfs/dbraw/zinc/50/33/39/600503339.db2.gz QOXVGVISMPVTFT-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM C[C@@H](CC(=O)[O-])Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090098851 600624873 /nfs/dbraw/zinc/62/48/73/600624873.db2.gz UFCQPWKKBCEPRV-LURJTMIESA-N -1 0 286.265 2.458 20 5 CEBDRM C[C@H](CCO)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417325 600826483 /nfs/dbraw/zinc/82/64/83/600826483.db2.gz DRZRFOCAQPERKT-TZGMSPROSA-N -1 0 294.307 2.123 20 5 CEBDRM Cc1cnc(COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000700326501 600984194 /nfs/dbraw/zinc/98/41/94/600984194.db2.gz HEHLWWKYYQPHDR-UHFFFAOYSA-N -1 0 278.220 2.168 20 5 CEBDRM O=C([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000833311919 601794446 /nfs/dbraw/zinc/79/44/46/601794446.db2.gz FNIGCOVTGKZABH-UPHRSURJSA-N -1 0 259.221 2.187 20 5 CEBDRM Cc1nc(S[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000123614581 602129407 /nfs/dbraw/zinc/12/94/07/602129407.db2.gz WAZFZSKEBZQMFO-ZCFIWIBFSA-N -1 0 256.283 2.254 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000827325298 602186822 /nfs/dbraw/zinc/18/68/22/602186822.db2.gz RUAAILWKYTZYOI-RKDXNWHRSA-N -1 0 281.264 2.310 20 5 CEBDRM Cc1ccc([C@@H](C)NC(=O)[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000832920856 602190136 /nfs/dbraw/zinc/19/01/36/602190136.db2.gz IHAFIWQQBTXKSA-NXEZZACHSA-N -1 0 294.307 2.191 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739035193 603018987 /nfs/dbraw/zinc/01/89/87/603018987.db2.gz GFCYULDQJYZMKC-UWVGGRQHSA-N -1 0 294.311 2.180 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NCC[C@H](C)NC(=O)[O-] ZINC000830138359 603443089 /nfs/dbraw/zinc/44/30/89/603443089.db2.gz SVNVEWCCTFBQNW-VIFPVBQESA-N -1 0 267.285 2.361 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)NC(=O)[O-])c1 ZINC000830426698 603549731 /nfs/dbraw/zinc/54/97/31/603549731.db2.gz ADZNGFNLRYMDPB-VIFPVBQESA-N -1 0 267.285 2.361 20 5 CEBDRM O=C([O-])N1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000832037212 603979749 /nfs/dbraw/zinc/97/97/49/603979749.db2.gz SPGMMTCBALZACL-UHFFFAOYSA-N -1 0 299.714 2.044 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2CNC(=O)[O-])c1 ZINC000830427675 604830979 /nfs/dbraw/zinc/83/09/79/604830979.db2.gz MJIMNHRKHQTOCY-JTQLQIEISA-N -1 0 279.296 2.140 20 5 CEBDRM O=C([O-])N1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000834080872 605379206 /nfs/dbraw/zinc/37/92/06/605379206.db2.gz CVDQCTGBHIQCFZ-ZETCQYMHSA-N -1 0 271.298 2.068 20 5 CEBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2c1sccc1[N+](=O)[O-] ZINC000834097281 605949166 /nfs/dbraw/zinc/94/91/66/605949166.db2.gz WVXOBGHKCHOVCU-BDAKNGLRSA-N -1 0 297.336 2.377 20 5 CEBDRM O=C([O-])N[C@H](CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000834151460 605993633 /nfs/dbraw/zinc/99/36/33/605993633.db2.gz WFVTWQTZGWVNAY-SSDOTTSWSA-N -1 0 271.298 2.114 20 5 CEBDRM O=C(Nc1n[nH]c2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000795048478 629421418 /nfs/dbraw/zinc/42/14/18/629421418.db2.gz XDTRCJIQABHKBJ-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(OC[C@H]1CCCCS1)c1ccc([N+](=O)[O-])[n-]1 ZINC000802926164 631484951 /nfs/dbraw/zinc/48/49/51/631484951.db2.gz NQPDAQYXWQSOPW-MRVPVSSYSA-N -1 0 270.310 2.365 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000804583965 631708511 /nfs/dbraw/zinc/70/85/11/631708511.db2.gz FHNCHHNROUAQTK-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(=NOCCOC(C)C)[n-]1 ZINC000812488803 632535559 /nfs/dbraw/zinc/53/55/59/632535559.db2.gz MSRGPTGAEHUXGS-UHFFFAOYSA-N -1 0 269.301 2.375 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000900961533 633907841 /nfs/dbraw/zinc/90/78/41/633907841.db2.gz HBCSAQNYMCWUBZ-VIFPVBQESA-N -1 0 297.286 2.210 20 5 CEBDRM CCn1nc(C)cc1-c1cc([N+](=O)[O-])ccc1CC(=O)[O-] ZINC000901047944 633938236 /nfs/dbraw/zinc/93/82/36/633938236.db2.gz PWFILCLBHQOPTH-UHFFFAOYSA-N -1 0 289.291 2.414 20 5 CEBDRM Cc1cc(N2CC[C@@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC000841487900 634193743 /nfs/dbraw/zinc/19/37/43/634193743.db2.gz DNDQRWUFZHNZRR-MRVPVSSYSA-N -1 0 284.699 2.468 20 5 CEBDRM CO[C@H]1CC[C@H]1N(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000910387995 638033604 /nfs/dbraw/zinc/03/36/04/638033604.db2.gz BURZEXWAXDJOIL-MFKMUULPSA-N -1 0 294.307 2.215 20 5 CEBDRM CC(C)(C)C[C@H](O)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837592613 639298543 /nfs/dbraw/zinc/29/85/43/639298543.db2.gz PKPJVCDBUQCUII-LBPRGKRZSA-N -1 0 297.307 2.141 20 5 CEBDRM C[C@H]1C[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000837617055 639310016 /nfs/dbraw/zinc/31/00/16/639310016.db2.gz UXYBNBUOENFOKN-VHSXEESVSA-N -1 0 295.291 2.159 20 5 CEBDRM CO[C@@H](C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211208 640632548 /nfs/dbraw/zinc/63/25/48/640632548.db2.gz UXJVQYGUOBUNSR-DNQSNQRASA-N -1 0 280.280 2.139 20 5 CEBDRM CC(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)[O-] ZINC000848638482 642084898 /nfs/dbraw/zinc/08/48/98/642084898.db2.gz UGPVDQLVZJRPKS-MRVPVSSYSA-N -1 0 297.267 2.272 20 5 CEBDRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC1[N+](=O)[O-] ZINC000839717494 644791088 /nfs/dbraw/zinc/79/10/88/644791088.db2.gz NMJGDVOZLPLDGA-SVGQVSJJSA-N -1 0 291.090 2.303 20 5 CEBDRM C[C@@H]1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000132995712 652581465 /nfs/dbraw/zinc/58/14/65/652581465.db2.gz KLWINHQCDVLHJT-HTQZYQBOSA-N -1 0 265.269 2.289 20 5 CEBDRM CCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000136277301 653058064 /nfs/dbraw/zinc/05/80/64/653058064.db2.gz JJXBLQBVWYNQBO-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM C[C@@H]1CC(Oc2nc(=O)[n-]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001226332136 805580497 /nfs/dbraw/zinc/58/04/97/805580497.db2.gz SROVPNPUJCTYQQ-YUMQZZPRSA-N -1 0 267.285 2.294 20 5 CEBDRM Cc1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)oc1C ZINC001167297039 802653241 /nfs/dbraw/zinc/65/32/41/802653241.db2.gz HFQULIVZBMKLLU-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM COC(=O)c1nsnc1[N-]c1cccc([N+](=O)[O-])c1F ZINC001210381804 802677240 /nfs/dbraw/zinc/67/72/40/802677240.db2.gz PRVWWDLQONAKIG-UHFFFAOYSA-N -1 0 298.255 2.116 20 5 CEBDRM C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000693433729 802908676 /nfs/dbraw/zinc/90/86/76/802908676.db2.gz XRWAYJPRNNDRAR-DTWKUNHWSA-N -1 0 282.271 2.281 20 5 CEBDRM CSCC[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118960590 810755295 /nfs/dbraw/zinc/75/52/95/810755295.db2.gz UTUVJRVJLBAZQC-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM C[C@@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772138974 811984711 /nfs/dbraw/zinc/98/47/11/811984711.db2.gz YBFIUPJEVFCEBJ-VIFPVBQESA-N -1 0 290.275 2.254 20 5 CEBDRM Cc1ccc(N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693006038 814615330 /nfs/dbraw/zinc/61/53/30/814615330.db2.gz XKPXDSYUNLCXON-AOOOYVTPSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnc3cnccn32)cc1[N+](=O)[O-] ZINC001174503442 816030184 /nfs/dbraw/zinc/03/01/84/816030184.db2.gz AEEAETHHYYLCCI-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM Cc1c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ncn1C ZINC001176671885 816452963 /nfs/dbraw/zinc/45/29/63/816452963.db2.gz CJBCVHMSLOAIMA-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM Cc1nccnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672559 816453113 /nfs/dbraw/zinc/45/31/13/816453113.db2.gz MIXBXXQTUZJRKV-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000035095222 361809912 /nfs/dbraw/zinc/80/99/12/361809912.db2.gz IIHYBDWPTJYUCN-LLVKDONJSA-N -1 0 294.307 2.276 20 5 CEBDRM CCC(CC)(CNc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263067282 282122803 /nfs/dbraw/zinc/12/28/03/282122803.db2.gz OJTFLSFUFUZFCC-UHFFFAOYSA-N -1 0 281.312 2.480 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c(C2CC2)cc1=O ZINC000601934991 346931460 /nfs/dbraw/zinc/93/14/60/346931460.db2.gz GJCYFIGNDAEGAW-UHFFFAOYSA-N -1 0 259.265 2.406 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000567948364 299100520 /nfs/dbraw/zinc/10/05/20/299100520.db2.gz BWORYLNISFLYBM-IUCAKERBSA-N -1 0 282.271 2.311 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000567984227 299104766 /nfs/dbraw/zinc/10/47/66/299104766.db2.gz FKJCNIUKKPOYHF-YMTOWFKASA-N -1 0 294.307 2.150 20 5 CEBDRM CN(Cc1nccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093582065 344227436 /nfs/dbraw/zinc/22/74/36/344227436.db2.gz CXYKFZHHVUPMMU-UHFFFAOYSA-N -1 0 279.321 2.389 20 5 CEBDRM COc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000136444761 344385332 /nfs/dbraw/zinc/38/53/32/344385332.db2.gz LQSWZZZKQCBCIT-QMMMGPOBSA-N -1 0 296.279 2.043 20 5 CEBDRM Cc1nc(NCC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC000165371315 344474367 /nfs/dbraw/zinc/47/43/67/344474367.db2.gz HYOUJWZLVIPATE-UHFFFAOYSA-N -1 0 279.296 2.355 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC(C2CC2)C2CC2)n1 ZINC000166717340 344476899 /nfs/dbraw/zinc/47/68/99/344476899.db2.gz VEVKUBTXIMRFIG-UHFFFAOYSA-N -1 0 277.280 2.289 20 5 CEBDRM C[C@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCCS1 ZINC000166813647 344477274 /nfs/dbraw/zinc/47/72/74/344477274.db2.gz AIDDYLPMINVJGK-GFCCVEGCSA-N -1 0 297.336 2.386 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000227935218 344557563 /nfs/dbraw/zinc/55/75/63/344557563.db2.gz NKIMYUGUHBJBCO-ZJUUUORDSA-N -1 0 264.281 2.203 20 5 CEBDRM O=[N+]([O-])c1cc(Cl)c(NCc2nnn[n-]2)c(Cl)c1 ZINC000228849785 344564118 /nfs/dbraw/zinc/56/41/18/344564118.db2.gz KRIIHMPTSNAILL-UHFFFAOYSA-N -1 0 289.082 2.027 20 5 CEBDRM CCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000291011816 282347091 /nfs/dbraw/zinc/34/70/91/282347091.db2.gz DDOPVRYTNDBJSC-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000050195928 362410047 /nfs/dbraw/zinc/41/00/47/362410047.db2.gz ICHWDOMLMAGGJO-UHFFFAOYSA-N -1 0 286.309 2.030 20 5 CEBDRM O=C([O-])Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000053200013 362485931 /nfs/dbraw/zinc/48/59/31/362485931.db2.gz FXSAKAZRKWDPAD-UHFFFAOYSA-N -1 0 290.231 2.067 20 5 CEBDRM C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000584783030 344986284 /nfs/dbraw/zinc/98/62/84/344986284.db2.gz JIPZULQLJXOHPD-YFKPBYRVSA-N -1 0 293.201 2.141 20 5 CEBDRM CCN(CCSC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000592920453 345414611 /nfs/dbraw/zinc/41/46/11/345414611.db2.gz FERVSEGBBCLNOR-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1cc(N[C@H]2CCC[C@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969271 345417328 /nfs/dbraw/zinc/41/73/28/345417328.db2.gz PAQQXOFROUEGLN-ONGXEEELSA-N -1 0 294.307 2.317 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(=O)[O-] ZINC000592980687 345418452 /nfs/dbraw/zinc/41/84/52/345418452.db2.gz WGQVRJUYKUDYGN-SFYZADRCSA-N -1 0 270.310 2.203 20 5 CEBDRM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061405 345430557 /nfs/dbraw/zinc/43/05/57/345430557.db2.gz KGPYSDDAGQKOJY-MFKMUULPSA-N -1 0 280.324 2.300 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593886118 345548341 /nfs/dbraw/zinc/54/83/41/345548341.db2.gz JLPKVYUQBTWYHF-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000593955550 345555662 /nfs/dbraw/zinc/55/56/62/345555662.db2.gz AHSSMFDIFMWYLO-MRVPVSSYSA-N -1 0 295.295 2.054 20 5 CEBDRM Cc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000180774776 232398862 /nfs/dbraw/zinc/39/88/62/232398862.db2.gz HMPTYNQCHLSEDP-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CO[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000597492261 346193078 /nfs/dbraw/zinc/19/30/78/346193078.db2.gz YSDGOSITPKJYOO-ZDUSSCGKSA-N -1 0 294.307 2.444 20 5 CEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000597757668 346227170 /nfs/dbraw/zinc/22/71/70/346227170.db2.gz LRKXDLMSYIQPBG-UHFFFAOYSA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597830490 346237315 /nfs/dbraw/zinc/23/73/15/346237315.db2.gz WNVDHDNESAIMTH-QWRGUYRKSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598210395 346305971 /nfs/dbraw/zinc/30/59/71/346305971.db2.gz WXJDZPNMJCHHAR-SCVCMEIPSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@]1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1(F)F ZINC000598215462 346307695 /nfs/dbraw/zinc/30/76/95/346307695.db2.gz KXHZKHFHGGLREX-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM C[C@@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000598217878 346308691 /nfs/dbraw/zinc/30/86/91/346308691.db2.gz XNEFAXNFPLCOFS-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM CC[C@H](Sc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000097824113 185671742 /nfs/dbraw/zinc/67/17/42/185671742.db2.gz XUODOTPXAZPNMU-JTQLQIEISA-N -1 0 293.304 2.493 20 5 CEBDRM O=C([O-])c1cnc(NCC[C@H]2CC2(F)F)c([N+](=O)[O-])c1 ZINC000598735724 346411905 /nfs/dbraw/zinc/41/19/05/346411905.db2.gz QCMVVNWIYCKDDX-ZETCQYMHSA-N -1 0 287.222 2.145 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OCC ZINC000600174223 346614662 /nfs/dbraw/zinc/61/46/62/346614662.db2.gz IVRZZWRWVATGQE-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600492877 346644249 /nfs/dbraw/zinc/64/42/49/346644249.db2.gz NXPPMECFBRRALD-HBYGRHMLSA-N -1 0 290.319 2.466 20 5 CEBDRM CCC(F)(F)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000600379602 346636475 /nfs/dbraw/zinc/63/64/75/346636475.db2.gz HHNYUWVBCNXBJA-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM C[C@@H]1CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000603267847 347325790 /nfs/dbraw/zinc/32/57/90/347325790.db2.gz WDGDVHCSAFOOJK-ZCFIWIBFSA-N -1 0 270.672 2.188 20 5 CEBDRM CO[C@H](C)c1nc(=NCc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000336830575 365894578 /nfs/dbraw/zinc/89/45/78/365894578.db2.gz MMUWPTXPONSRRR-MRVPVSSYSA-N -1 0 294.336 2.188 20 5 CEBDRM CC(C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000611080975 347737163 /nfs/dbraw/zinc/73/71/63/347737163.db2.gz CFTVFQPABAWOQG-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1F ZINC000611559630 347794697 /nfs/dbraw/zinc/79/46/97/347794697.db2.gz SYRXEFNAMZKHFH-QPUJVOFHSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611559631 347794829 /nfs/dbraw/zinc/79/48/29/347794829.db2.gz SYRXEFNAMZKHFH-UFBFGSQYSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000368227281 304003409 /nfs/dbraw/zinc/00/34/09/304003409.db2.gz PQCQCFBHIOUTEF-IYYTYJHQSA-N -1 0 292.291 2.054 20 5 CEBDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000618020536 348854615 /nfs/dbraw/zinc/85/46/15/348854615.db2.gz DBONCKJAVVWFEU-SFYZADRCSA-N -1 0 298.320 2.128 20 5 CEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000450529477 282649568 /nfs/dbraw/zinc/64/95/68/282649568.db2.gz UOJUSAPQZPURIK-LLVKDONJSA-N -1 0 292.291 2.164 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109093372 186243199 /nfs/dbraw/zinc/24/31/99/186243199.db2.gz XIQVISUALGEHLJ-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM CCOCCN(CC)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000111238923 186375176 /nfs/dbraw/zinc/37/51/76/186375176.db2.gz QXMIZBQLNILQIS-UHFFFAOYSA-N -1 0 282.296 2.156 20 5 CEBDRM CCCC[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000123331484 187085670 /nfs/dbraw/zinc/08/56/70/187085670.db2.gz PFLYRYNBDFJTSJ-VIFPVBQESA-N -1 0 267.285 2.354 20 5 CEBDRM CSC[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000123626895 187101667 /nfs/dbraw/zinc/10/16/67/187101667.db2.gz DLQNTEPIOANSRK-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000569247972 299191511 /nfs/dbraw/zinc/19/15/11/299191511.db2.gz DFPCFSMNIQSUQG-NSHDSACASA-N -1 0 294.307 2.203 20 5 CEBDRM CC(C)[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148364803 187918162 /nfs/dbraw/zinc/91/81/62/187918162.db2.gz GYAKVXVWXDUQDZ-QMMMGPOBSA-N -1 0 273.676 2.164 20 5 CEBDRM C[C@@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C ZINC000157965997 188349867 /nfs/dbraw/zinc/34/98/67/188349867.db2.gz RKWLKJQMLQHQMD-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H](C)O ZINC000569852015 314018113 /nfs/dbraw/zinc/01/81/13/314018113.db2.gz OOEHQTNKVGFNRA-LDYMZIIASA-N -1 0 282.296 2.173 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OC ZINC000295725616 199636885 /nfs/dbraw/zinc/63/68/85/199636885.db2.gz LZOQTTYWLCDDAY-ZANVPECISA-N -1 0 296.323 2.091 20 5 CEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nncs2)c1 ZINC000338410647 366345714 /nfs/dbraw/zinc/34/57/14/366345714.db2.gz RNOBCQUXKFUQKX-UHFFFAOYSA-N -1 0 294.292 2.097 20 5 CEBDRM C[C@H]1CC(CCN=c2[n-]cc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000338484233 366377769 /nfs/dbraw/zinc/37/77/69/366377769.db2.gz KUFOMJQMFPTKIV-IUCAKERBSA-N -1 0 285.369 2.479 20 5 CEBDRM O=C([O-])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000111633989 304069793 /nfs/dbraw/zinc/06/97/93/304069793.db2.gz YCZSFOMOIQZRKD-UHFFFAOYSA-N -1 0 265.052 2.398 20 5 CEBDRM CCOC[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000570724469 299275361 /nfs/dbraw/zinc/27/53/61/299275361.db2.gz ANXJQPVVUNZCKS-VIFPVBQESA-N -1 0 282.296 2.438 20 5 CEBDRM Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000578477683 366498769 /nfs/dbraw/zinc/49/87/69/366498769.db2.gz KADYHPROSAJRDO-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM CC(C)(CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[N+](=O)[O-] ZINC000297396283 200176016 /nfs/dbraw/zinc/17/60/16/200176016.db2.gz FLJSMQKPZLHGDP-UHFFFAOYSA-N -1 0 297.267 2.074 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC2=CCCC2)n1 ZINC000571169731 299297198 /nfs/dbraw/zinc/29/71/98/299297198.db2.gz YQBLBDRVYHPYFZ-UHFFFAOYSA-N -1 0 291.307 2.331 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031715860 361716981 /nfs/dbraw/zinc/71/69/81/361716981.db2.gz VRUZAGRDWYWORO-VIFPVBQESA-N -1 0 266.297 2.417 20 5 CEBDRM CCC[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000087486401 363855853 /nfs/dbraw/zinc/85/58/53/363855853.db2.gz SOJDWOLAGUURFJ-NSHDSACASA-N -1 0 294.307 2.134 20 5 CEBDRM CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000087489349 363857241 /nfs/dbraw/zinc/85/72/41/363857241.db2.gz DULDJBBPXMPNKI-LLVKDONJSA-N -1 0 295.295 2.073 20 5 CEBDRM CCOCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531595 363978032 /nfs/dbraw/zinc/97/80/32/363978032.db2.gz DUGFTWDSQDZZGO-UHFFFAOYSA-N -1 0 268.269 2.056 20 5 CEBDRM Cc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000092545870 364079042 /nfs/dbraw/zinc/07/90/42/364079042.db2.gz HWTHSQKUTGCPTL-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1[C@@H]2CCC[C@H]12 ZINC000092547475 364080925 /nfs/dbraw/zinc/08/09/25/364080925.db2.gz HEHBZGFFJOVOKC-USUYBEQLSA-N -1 0 262.265 2.285 20 5 CEBDRM CCc1onc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000089943861 364021434 /nfs/dbraw/zinc/02/14/34/364021434.db2.gz JTJYJYQOUMNYDW-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC(C)CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356501294 370733945 /nfs/dbraw/zinc/73/39/45/370733945.db2.gz HTOHYGWQYLYHSS-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CC[C@](C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000094226186 364261359 /nfs/dbraw/zinc/26/13/59/364261359.db2.gz MREQBLWXSAZWQA-LBPRGKRZSA-N -1 0 299.258 2.109 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000119130814 365221821 /nfs/dbraw/zinc/22/18/21/365221821.db2.gz LRIHZGMSFLLNRM-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000120637889 365454220 /nfs/dbraw/zinc/45/42/20/365454220.db2.gz ZOQYMZYCILADGZ-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ncoc1C1CC1 ZINC000343882340 368057028 /nfs/dbraw/zinc/05/70/28/368057028.db2.gz SVEQZYSTGJIWJG-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000177142314 368260153 /nfs/dbraw/zinc/26/01/53/368260153.db2.gz JOBAHPSLBXQCQP-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186355063 368962441 /nfs/dbraw/zinc/96/24/41/368962441.db2.gz SPWBBQAXZPDXBP-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM CCCCC[N@H+](CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349817422 369408947 /nfs/dbraw/zinc/40/89/47/369408947.db2.gz WFGTURQDXWDXGJ-UHFFFAOYSA-N -1 0 282.340 2.285 20 5 CEBDRM CC[C@H]1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193613182 369962103 /nfs/dbraw/zinc/96/21/03/369962103.db2.gz IQGFNMMCWRDVNR-ONGXEEELSA-N -1 0 293.323 2.394 20 5 CEBDRM CC[C@H]1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193613214 369962641 /nfs/dbraw/zinc/96/26/41/369962641.db2.gz IQGFNMMCWRDVNR-GXSJLCMTSA-N -1 0 293.323 2.394 20 5 CEBDRM COc1cc(N2CCC[C@@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000227855119 370386187 /nfs/dbraw/zinc/38/61/87/370386187.db2.gz CRFHBBKOAOLMPJ-MRVPVSSYSA-N -1 0 298.270 2.044 20 5 CEBDRM CC(C)CCOCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232572620 370506748 /nfs/dbraw/zinc/50/67/48/370506748.db2.gz XSJLUSJUQVOYMX-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232896430 370514262 /nfs/dbraw/zinc/51/42/62/370514262.db2.gz NEBMOOGKLIRCHD-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233860367 370526648 /nfs/dbraw/zinc/52/66/48/370526648.db2.gz FPXUCCNROVRIFD-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000234276457 370532018 /nfs/dbraw/zinc/53/20/18/370532018.db2.gz AGGWNJCPSPOGAM-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ocnc1C1CC1 ZINC000362954045 372587794 /nfs/dbraw/zinc/58/77/94/372587794.db2.gz GBOFJCQCVNDWGE-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM CCCCN(CCOC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272581541 373562943 /nfs/dbraw/zinc/56/29/43/373562943.db2.gz UJBFQHZVNQZQEU-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM CCN(CC(F)(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274698396 374016032 /nfs/dbraw/zinc/01/60/32/374016032.db2.gz TUMQALPKFZAFQK-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000275126118 374161811 /nfs/dbraw/zinc/16/18/11/374161811.db2.gz NTMGMSFSDVOJLI-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000386860651 375267377 /nfs/dbraw/zinc/26/73/77/375267377.db2.gz CBPSWTOCTQVDBV-NSHDSACASA-N -1 0 276.292 2.363 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000408070503 375401458 /nfs/dbraw/zinc/40/14/58/375401458.db2.gz NMDOZKDVFYKFCM-CABCVRRESA-N -1 0 292.335 2.444 20 5 CEBDRM C[C@@H]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1 ZINC000398140745 375346619 /nfs/dbraw/zinc/34/66/19/375346619.db2.gz JFSCMIAJCQAEBH-PSASIEDQSA-N -1 0 280.280 2.272 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286686057 376037496 /nfs/dbraw/zinc/03/74/96/376037496.db2.gz ZTJMPVKOAQDAHO-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC2(C)C)n1 ZINC000567170240 377807555 /nfs/dbraw/zinc/80/75/55/377807555.db2.gz UNNOXLMVQOQNBI-QMMMGPOBSA-N -1 0 265.269 2.207 20 5 CEBDRM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCO1 ZINC000457685360 379879433 /nfs/dbraw/zinc/87/94/33/379879433.db2.gz ZUMDRFNKHLFRIK-CYBMUJFWSA-N -1 0 280.280 2.198 20 5 CEBDRM Cc1cc(=NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[n-]nc1C ZINC000491837211 380355034 /nfs/dbraw/zinc/35/50/34/380355034.db2.gz FRZXRTLVFGSJFX-VMPITWQZSA-N -1 0 298.302 2.075 20 5 CEBDRM CC1=CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000275016686 394803906 /nfs/dbraw/zinc/80/39/06/394803906.db2.gz GCXIPBPOZTVVCT-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM Cc1cnc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000130347402 394886497 /nfs/dbraw/zinc/88/64/97/394886497.db2.gz YLBWVBISHDLYHM-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436784050 395153643 /nfs/dbraw/zinc/15/36/43/395153643.db2.gz ONPXWDUCPQKORP-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM CCC(CC)(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000436829930 395157545 /nfs/dbraw/zinc/15/75/45/395157545.db2.gz BUOLJAKHYRMZBJ-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000399534441 395246070 /nfs/dbraw/zinc/24/60/70/395246070.db2.gz HVGUFQKCTXAMEB-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM CC(=O)c1cc(NC[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000519699623 395209806 /nfs/dbraw/zinc/20/98/06/395209806.db2.gz HIZAKSDJFYWTDY-MRVPVSSYSA-N -1 0 280.280 2.320 20 5 CEBDRM CO[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000566293470 395510451 /nfs/dbraw/zinc/51/04/51/395510451.db2.gz UNUPKIZZVIRTQQ-VIFPVBQESA-N -1 0 297.311 2.161 20 5 CEBDRM CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574877254 395639316 /nfs/dbraw/zinc/63/93/16/395639316.db2.gz JKWHLQZTUYSKFP-UHFFFAOYSA-N -1 0 258.661 2.094 20 5 CEBDRM O=[N+]([O-])c1ccsc1[N-]c1cc2n(n1)CCCC2 ZINC000588081895 400613868 /nfs/dbraw/zinc/61/38/68/400613868.db2.gz VKWHJZNALKSVTI-UHFFFAOYSA-N -1 0 264.310 2.355 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315890 153298706 /nfs/dbraw/zinc/29/87/06/153298706.db2.gz GRHBHOXULPQADN-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000160406088 296693804 /nfs/dbraw/zinc/69/38/04/296693804.db2.gz NQXJQRGHZXGTHQ-DTORHVGOSA-N -1 0 264.281 2.313 20 5 CEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC(=O)[O-] ZINC000263118400 154020104 /nfs/dbraw/zinc/02/01/04/154020104.db2.gz WOKSTRMWCVUAIB-UHFFFAOYSA-N -1 0 295.295 2.096 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)o1 ZINC000358571016 154687293 /nfs/dbraw/zinc/68/72/93/154687293.db2.gz OIAYOJUTZVIAJN-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC000038021247 174000007 /nfs/dbraw/zinc/00/00/07/174000007.db2.gz CSTJCRNCFWRHPL-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000042162148 174644852 /nfs/dbraw/zinc/64/48/52/174644852.db2.gz PNUNXOUYDBWUQY-SECBINFHSA-N -1 0 268.244 2.177 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000217315941 296914693 /nfs/dbraw/zinc/91/46/93/296914693.db2.gz CHQOJPCUOJFXOE-RKDXNWHRSA-N -1 0 264.281 2.028 20 5 CEBDRM CCCN(CC(=O)[O-])c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000518185136 260352265 /nfs/dbraw/zinc/35/22/65/260352265.db2.gz KZAPCPMRWVMJPX-UHFFFAOYSA-N -1 0 293.323 2.170 20 5 CEBDRM O=C(NCCc1cccs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184599279 262288188 /nfs/dbraw/zinc/28/81/88/262288188.db2.gz SHZBWVMCQUEBDN-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3C[C@H]4C[C@H]4C3)[n-]2)cc1 ZINC000425295415 263302670 /nfs/dbraw/zinc/30/26/70/263302670.db2.gz FOTVCTFANPYJPJ-JGPRNRPPSA-N -1 0 286.291 2.277 20 5 CEBDRM CC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC(F)(F)C1 ZINC000874853319 649854968 /nfs/dbraw/zinc/85/49/68/649854968.db2.gz ANOONGQRGAFDBN-UHFFFAOYSA-N -1 0 286.234 2.218 20 5 CEBDRM CC(C)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130318351 279934019 /nfs/dbraw/zinc/93/40/19/279934019.db2.gz LHGJMWREOOXHEH-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM Cc1sc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000237697826 280232953 /nfs/dbraw/zinc/23/29/53/280232953.db2.gz IZMXZCBLQCVILL-UHFFFAOYSA-N -1 0 298.320 2.092 20 5 CEBDRM CN(CC(=O)[O-])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237162390 289487530 /nfs/dbraw/zinc/48/75/30/289487530.db2.gz WJZCTDIBEWWHMK-UHFFFAOYSA-N -1 0 294.307 2.049 20 5 CEBDRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000282846214 297238779 /nfs/dbraw/zinc/23/87/79/297238779.db2.gz VYEKYEAAGAGUGO-RWYTXXIDSA-N -1 0 280.280 2.052 20 5 CEBDRM CC(C)[C@@H](C)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166784486 297466003 /nfs/dbraw/zinc/46/60/03/297466003.db2.gz NFHAJILKHQRMCV-QMMMGPOBSA-N -1 0 267.285 2.392 20 5 CEBDRM Cc1ccncc1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000545242636 298332978 /nfs/dbraw/zinc/33/29/78/298332978.db2.gz GZITWPSQTPVCRM-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM Cc1cc(N(C)[C@@H]2CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564088478 298817097 /nfs/dbraw/zinc/81/70/97/298817097.db2.gz OHIVUSUXKVEYNA-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316720 300072380 /nfs/dbraw/zinc/07/23/80/300072380.db2.gz UBQLEBUVKZMCFB-IUCAKERBSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H]1CC[C@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343821707 300075458 /nfs/dbraw/zinc/07/54/58/300075458.db2.gz YJPBMIOJNFBWGS-GZMMTYOYSA-N -1 0 274.280 2.277 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000416325501 300670356 /nfs/dbraw/zinc/67/03/56/300670356.db2.gz YOXUPGLAYURNNO-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM Cc1cc(N2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000062933167 301341429 /nfs/dbraw/zinc/34/14/29/301341429.db2.gz DMBFLXFIPFKXSU-CYBMUJFWSA-N -1 0 264.281 2.204 20 5 CEBDRM O=C([O-])c1cc(NCC2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000160189280 312636805 /nfs/dbraw/zinc/63/68/05/312636805.db2.gz JCEHRLFTSKZBDY-UHFFFAOYSA-N -1 0 294.307 2.258 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C3CC3)C2)n1 ZINC000563205103 313722049 /nfs/dbraw/zinc/72/20/49/313722049.db2.gz JZMBZNBFLWDVJS-JTQLQIEISA-N -1 0 291.307 2.233 20 5 CEBDRM C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000567866014 313913056 /nfs/dbraw/zinc/91/30/56/313913056.db2.gz LYZGPUGDVCXVTF-VHSXEESVSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1cc(NCC2=CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571449433 314090672 /nfs/dbraw/zinc/09/06/72/314090672.db2.gz GLDPQERXMMBITN-UHFFFAOYSA-N -1 0 292.291 2.360 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000387984987 321881818 /nfs/dbraw/zinc/88/18/18/321881818.db2.gz YHHTWPCAFPKPLA-BDAKNGLRSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H]1CC(C)(C)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000581432030 322395943 /nfs/dbraw/zinc/39/59/43/322395943.db2.gz GJWRUGCJOSCBRG-MRVPVSSYSA-N -1 0 279.296 2.313 20 5 CEBDRM CC(C)=CCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000397700828 329383633 /nfs/dbraw/zinc/38/36/33/329383633.db2.gz IPBRSKCBWUQFMO-UHFFFAOYSA-N -1 0 265.269 2.456 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])C(C)C ZINC000263180295 524339078 /nfs/dbraw/zinc/33/90/78/524339078.db2.gz KFCSTMLAGCBHDZ-UHFFFAOYSA-N -1 0 294.307 2.147 20 5 CEBDRM CCOc1cc(N[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044639 528329675 /nfs/dbraw/zinc/32/96/75/528329675.db2.gz ARWGHPUVTRKNTA-QMMMGPOBSA-N -1 0 268.269 2.269 20 5 CEBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000739624917 574497328 /nfs/dbraw/zinc/49/73/28/574497328.db2.gz NBVRGKGCMHKSTA-DUMNWFOQSA-N -1 0 292.291 2.284 20 5 CEBDRM O=C([O-])/C=C/c1ccc(N[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000739624921 574497396 /nfs/dbraw/zinc/49/73/96/574497396.db2.gz NBVRGKGCMHKSTA-MALLOTDXSA-N -1 0 292.291 2.284 20 5 CEBDRM CC(C)[C@H](O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736390448 574786024 /nfs/dbraw/zinc/78/60/24/574786024.db2.gz PZVCSRFZMAHMSB-RYWCDNDXSA-N -1 0 294.307 2.121 20 5 CEBDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCCCC(=O)[O-])c1 ZINC000738145774 574852651 /nfs/dbraw/zinc/85/26/51/574852651.db2.gz MIQYRRHIAZPIAL-UHFFFAOYSA-N -1 0 299.304 2.338 20 5 CEBDRM O=C([O-])CCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000738583404 574868895 /nfs/dbraw/zinc/86/88/95/574868895.db2.gz VDUIMUUAERMONL-UHFFFAOYSA-N -1 0 281.293 2.481 20 5 CEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])s1)NC(=O)[O-] ZINC000738789732 574878563 /nfs/dbraw/zinc/87/85/63/574878563.db2.gz OBPIFKGWZFUITD-ZETCQYMHSA-N -1 0 273.314 2.360 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)[O-] ZINC000739196941 574899105 /nfs/dbraw/zinc/89/91/05/574899105.db2.gz WTDPZTUXJBCZRS-GZMMTYOYSA-N -1 0 297.286 2.216 20 5 CEBDRM CCN(CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000739400988 574916384 /nfs/dbraw/zinc/91/63/84/574916384.db2.gz VNKKFTYCPGRRBW-VIFPVBQESA-N -1 0 296.279 2.199 20 5 CEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739556248 574925939 /nfs/dbraw/zinc/92/59/39/574925939.db2.gz GUAHQRMBQBOGEC-BDAKNGLRSA-N -1 0 299.666 2.012 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000739586880 574927860 /nfs/dbraw/zinc/92/78/60/574927860.db2.gz JUQPGKFOXCEMPH-JTQLQIEISA-N -1 0 299.352 2.231 20 5 CEBDRM O=C([O-])CCSCCNc1ccsc1[N+](=O)[O-] ZINC000739752856 574932617 /nfs/dbraw/zinc/93/26/17/574932617.db2.gz YTDHVMOOEYREFZ-UHFFFAOYSA-N -1 0 276.339 2.276 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCC1CC1 ZINC000740097885 574941942 /nfs/dbraw/zinc/94/19/42/574941942.db2.gz VZVFBVXUFLPRDB-UHFFFAOYSA-N -1 0 281.224 2.023 20 5 CEBDRM O=C([O-])NC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740646318 574962731 /nfs/dbraw/zinc/96/27/31/574962731.db2.gz VCDRHRDQOFZPNE-QMMMGPOBSA-N -1 0 299.714 2.342 20 5 CEBDRM Cc1ccnc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000217320064 600205233 /nfs/dbraw/zinc/20/52/33/600205233.db2.gz RBVJEFMQFOUPLH-UHFFFAOYSA-N -1 0 275.220 2.184 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC2CCOCC2)c1 ZINC000052172986 600376952 /nfs/dbraw/zinc/37/69/52/600376952.db2.gz XRKSKNVIFPQLCX-UHFFFAOYSA-N -1 0 281.264 2.098 20 5 CEBDRM Cc1nn(C)c(Oc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000048806764 600502625 /nfs/dbraw/zinc/50/26/25/600502625.db2.gz VZIOSEIAWOHNQI-UHFFFAOYSA-N -1 0 291.263 2.056 20 5 CEBDRM Cc1ccc(N[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832949431 601199220 /nfs/dbraw/zinc/19/92/20/601199220.db2.gz WVBKNWMTNZMYOF-JTQLQIEISA-N -1 0 279.296 2.458 20 5 CEBDRM C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739037540 601918776 /nfs/dbraw/zinc/91/87/76/601918776.db2.gz RBWDEQQCXBMGPP-UWVGGRQHSA-N -1 0 294.311 2.180 20 5 CEBDRM Cc1ccc([C@@H](C)NC(=O)[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000832920860 602190386 /nfs/dbraw/zinc/19/03/86/602190386.db2.gz IHAFIWQQBTXKSA-VHSXEESVSA-N -1 0 294.307 2.191 20 5 CEBDRM CCc1ccc(OC(=O)CN(CC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739542116 602869272 /nfs/dbraw/zinc/86/92/72/602869272.db2.gz MJKOXLSTRYYHJJ-UHFFFAOYSA-N -1 0 296.279 2.063 20 5 CEBDRM COc1cc(N[C@@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000829196905 603191461 /nfs/dbraw/zinc/19/14/61/603191461.db2.gz CSVULBGNXRIQAZ-SNVBAGLBSA-N -1 0 295.295 2.158 20 5 CEBDRM CCCC[C@H](CNC(=O)[O-])Nc1cccnc1[N+](=O)[O-] ZINC000826812785 603893159 /nfs/dbraw/zinc/89/31/59/603893159.db2.gz FJLFKTFUQJVFQX-SECBINFHSA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830138726 604224062 /nfs/dbraw/zinc/22/40/62/604224062.db2.gz YWWMIPTUANNXBL-LLVKDONJSA-N -1 0 279.296 2.092 20 5 CEBDRM CC(C)[C@@H](CCN(C)c1cccnc1[N+](=O)[O-])NC(=O)[O-] ZINC000824105474 604227375 /nfs/dbraw/zinc/22/73/75/604227375.db2.gz WJLJRJRYNNHFCR-SNVBAGLBSA-N -1 0 296.327 2.108 20 5 CEBDRM C[C@@H](CSc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148416428 604459628 /nfs/dbraw/zinc/45/96/28/604459628.db2.gz UVJSEIAGWFTUHM-YFKPBYRVSA-N -1 0 276.701 2.456 20 5 CEBDRM C/C(=C\COc1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825787146 604805579 /nfs/dbraw/zinc/80/55/79/604805579.db2.gz WQQSIGZPKFHCJW-FARCUNLSSA-N -1 0 255.201 2.144 20 5 CEBDRM CCc1nsc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000217319621 604826753 /nfs/dbraw/zinc/82/67/53/604826753.db2.gz ODVQDZGOUWBLOZ-UHFFFAOYSA-N -1 0 295.276 2.499 20 5 CEBDRM C[C@H](Sc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148413656 605013004 /nfs/dbraw/zinc/01/30/04/605013004.db2.gz BZORIRSBYHSUSC-BYPYZUCNSA-N -1 0 262.674 2.208 20 5 CEBDRM C/C(=C/Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(=O)[O-] ZINC000833382768 605289207 /nfs/dbraw/zinc/28/92/07/605289207.db2.gz GUJPVCFEHCOEAT-YHYXMXQVSA-N -1 0 287.275 2.489 20 5 CEBDRM C[C@H](CCNc1ncc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000824802587 605477786 /nfs/dbraw/zinc/47/77/86/605477786.db2.gz LYDMCWBMJGXPKI-ZCFIWIBFSA-N -1 0 288.691 2.101 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000833814933 605497589 /nfs/dbraw/zinc/49/75/89/605497589.db2.gz DPBZOKVCKXCZMM-VHSXEESVSA-N -1 0 279.296 2.077 20 5 CEBDRM O=C([O-])N1CC[C@H](CCNc2sccc2[N+](=O)[O-])C1 ZINC000834071751 605991555 /nfs/dbraw/zinc/99/15/55/605991555.db2.gz BLTMUVVAMWDSFD-QMMMGPOBSA-N -1 0 285.325 2.458 20 5 CEBDRM CCCn1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000796721106 629978101 /nfs/dbraw/zinc/97/81/01/629978101.db2.gz UTKATSAKLJWRIN-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM O=C(O[C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000810892021 632300636 /nfs/dbraw/zinc/30/06/36/632300636.db2.gz CACXWDZIUGFCIR-VXNVDRBHSA-N -1 0 256.233 2.360 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(C2CC2)CC1 ZINC000901218738 633993697 /nfs/dbraw/zinc/99/36/97/633993697.db2.gz UYOCGMZJJLDBRF-UHFFFAOYSA-N -1 0 262.265 2.429 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000834653278 637905797 /nfs/dbraw/zinc/90/57/97/637905797.db2.gz AJDWVAVVQBLTLM-SCZZXKLOSA-N -1 0 296.348 2.314 20 5 CEBDRM CC[C@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)OC ZINC000835636833 638338011 /nfs/dbraw/zinc/33/80/11/638338011.db2.gz ZTDBOVOPVAEFAX-WPRPVWTQSA-N -1 0 270.285 2.141 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCC(=O)[O-] ZINC000841503873 639777974 /nfs/dbraw/zinc/77/79/74/639777974.db2.gz POIKPXMIKNHCFO-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM C[C@@H](CC(=O)[O-])Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000841505039 639778586 /nfs/dbraw/zinc/77/85/86/639778586.db2.gz ZXIAKOXEYYKNGN-LURJTMIESA-N -1 0 281.293 2.480 20 5 CEBDRM CC(C)(CNc1ncnc2cccc([N+](=O)[O-])c21)C(=O)[O-] ZINC000841506532 639779374 /nfs/dbraw/zinc/77/93/74/639779374.db2.gz RKKJTXGOLKDRJJ-UHFFFAOYSA-N -1 0 290.279 2.061 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)C(=O)[O-] ZINC000841507726 639779499 /nfs/dbraw/zinc/77/94/99/639779499.db2.gz XROHYPGVZRNEFS-UHFFFAOYSA-N -1 0 280.280 2.320 20 5 CEBDRM C[C@H](C[C@H](C)O)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211116 640632780 /nfs/dbraw/zinc/63/27/80/640632780.db2.gz UPPHZUXDTWNIMT-ZUJXDTADSA-N -1 0 294.307 2.264 20 5 CEBDRM O=C(OCCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918488015 640961068 /nfs/dbraw/zinc/96/10/68/640961068.db2.gz AETLWVYIRUSPDL-UHFFFAOYSA-N -1 0 260.249 2.322 20 5 CEBDRM COCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957458 641214415 /nfs/dbraw/zinc/21/44/15/641214415.db2.gz DWLYKNSJHFZDOO-XQRVVYSFSA-N -1 0 280.280 2.141 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000070495640 641672753 /nfs/dbraw/zinc/67/27/53/641672753.db2.gz SCHRAQSLHYXEIA-AWEZNQCLSA-N -1 0 293.323 2.379 20 5 CEBDRM C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC(C)(C)C1=O ZINC000847933571 641838967 /nfs/dbraw/zinc/83/89/67/641838967.db2.gz VHPYSQYSGAPMSC-RKDXNWHRSA-N -1 0 294.307 2.474 20 5 CEBDRM C[C@@]1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCCO1 ZINC000838436083 643941085 /nfs/dbraw/zinc/94/10/85/643941085.db2.gz WRQRZLGFIQILGW-AWEZNQCLSA-N -1 0 295.291 2.303 20 5 CEBDRM Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000864217840 646946156 /nfs/dbraw/zinc/94/61/56/646946156.db2.gz QXLHVRBORMUUKH-SECBINFHSA-N -1 0 294.307 2.020 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000780676781 647458640 /nfs/dbraw/zinc/45/86/40/647458640.db2.gz DXQZJFYTYCINAF-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(OCc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000784573303 647864531 /nfs/dbraw/zinc/86/45/31/647864531.db2.gz GCQKABGJHBVSBB-UHFFFAOYSA-N -1 0 281.655 2.328 20 5 CEBDRM CSc1nc(O[C@@H]2C=CCCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625275 805960374 /nfs/dbraw/zinc/96/03/74/805960374.db2.gz UXPOMHWLEDBKDL-SSDOTTSWSA-N -1 0 283.309 2.300 20 5 CEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001228973474 806370084 /nfs/dbraw/zinc/37/00/84/806370084.db2.gz IQUABUAYSNVCBL-SSDOTTSWSA-N -1 0 297.160 2.428 20 5 CEBDRM CCC[C@H](CC(=O)OC)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972591 806370354 /nfs/dbraw/zinc/37/03/54/806370354.db2.gz ZTUKEJPOXLKMIC-SECBINFHSA-N -1 0 299.279 2.117 20 5 CEBDRM COC(=O)[C@@H]1CCC[C@@H]1Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225492063 804886031 /nfs/dbraw/zinc/88/60/31/804886031.db2.gz VKRQNICCJGIICN-KOLCDFICSA-N -1 0 281.264 2.021 20 5 CEBDRM O=[N+]([O-])c1nccnc1[N-][C@H](c1ccccn1)C(F)(F)F ZINC001168476556 807700665 /nfs/dbraw/zinc/70/06/65/807700665.db2.gz FEALWTFYNFJBGX-MRVPVSSYSA-N -1 0 299.212 2.495 20 5 CEBDRM O=c1cc(Nc2ccccc2[N+](=O)[O-])nc(Cl)[n-]1 ZINC001206150309 815253721 /nfs/dbraw/zinc/25/37/21/815253721.db2.gz MZFIKLFBIPZWRB-UHFFFAOYSA-N -1 0 266.644 2.487 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000703466766 809651558 /nfs/dbraw/zinc/65/15/58/809651558.db2.gz MVEDJWGMHBPBMX-OLQVQODUSA-N -1 0 272.207 2.148 20 5 CEBDRM O=C(Nc1ccc(F)nc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119255459 810767138 /nfs/dbraw/zinc/76/71/38/810767138.db2.gz AIIBWJSCTDJEOS-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM Cc1c(NCc2cc(=O)[n-]o2)cc(F)cc1[N+](=O)[O-] ZINC001169484130 811529313 /nfs/dbraw/zinc/52/93/13/811529313.db2.gz JWQCPGMTKHXBQV-UHFFFAOYSA-N -1 0 267.216 2.348 20 5 CEBDRM O=C(NOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001146553353 814296358 /nfs/dbraw/zinc/29/63/58/814296358.db2.gz ZLJQZZZBGMNRFM-UHFFFAOYSA-N -1 0 292.222 2.163 20 5 CEBDRM O=C([O-])c1ccc(Nc2ncccc2O)cc1[N+](=O)[O-] ZINC001174502639 816028969 /nfs/dbraw/zinc/02/89/69/816028969.db2.gz WCJJZUSWFXRDLX-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM O=C([O-])c1ccc(Nc2cncc(O)c2)cc1[N+](=O)[O-] ZINC001174502885 816029648 /nfs/dbraw/zinc/02/96/48/816029648.db2.gz LVMVBTMPFQLKMY-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM Nc1cccc(O)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504649 816030168 /nfs/dbraw/zinc/03/01/68/816030168.db2.gz GBQDISCBGHRTAK-UHFFFAOYSA-N -1 0 289.247 2.324 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnsc2)cc1[N+](=O)[O-] ZINC001174503854 816030328 /nfs/dbraw/zinc/03/03/28/816030328.db2.gz ZONUZAMYZWOBON-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM Cc1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ncn1C ZINC001174503397 816030395 /nfs/dbraw/zinc/03/03/95/816030395.db2.gz NEJXSTSPVBVVSK-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM COc1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1[N+](=O)[O-] ZINC001176360873 816401378 /nfs/dbraw/zinc/40/13/78/816401378.db2.gz BIRDUSRBDDCEOW-UHFFFAOYSA-N -1 0 296.670 2.496 20 5 CEBDRM O=C(/C=C\C1CCOCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492384763 290608404 /nfs/dbraw/zinc/60/84/04/290608404.db2.gz PUAMGPOHQGWERY-RJRFIUFISA-N -1 0 292.291 2.222 20 5 CEBDRM Cc1cc(NC(=O)NO[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000121301266 365548528 /nfs/dbraw/zinc/54/85/28/365548528.db2.gz LZXYOCQTUGNZJR-GFCCVEGCSA-N -1 0 295.295 2.483 20 5 CEBDRM Cc1ccc(NC(=O)c2ncccc2[O-])cc1[N+](=O)[O-] ZINC000037760527 361930470 /nfs/dbraw/zinc/93/04/70/361930470.db2.gz ZAAVQVWDAZKNGK-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000357653222 529444041 /nfs/dbraw/zinc/44/40/41/529444041.db2.gz YEANVMCCSMWDDZ-SSDOTTSWSA-N -1 0 291.315 2.017 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC[C@@H]2C ZINC000601936878 346933249 /nfs/dbraw/zinc/93/32/49/346933249.db2.gz WUNKBZPHVYOIQY-WCBMZHEXSA-N -1 0 289.291 2.352 20 5 CEBDRM CC[C@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000567976155 299103564 /nfs/dbraw/zinc/10/35/64/299103564.db2.gz IBMCOAWWZAFSGS-IUCAKERBSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@@H]1CC2(CCC2)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567984918 299105442 /nfs/dbraw/zinc/10/54/42/299105442.db2.gz FAIJNNQYTGHRBJ-SECBINFHSA-N -1 0 291.307 2.457 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)CC(=O)[O-] ZINC000127867030 344332424 /nfs/dbraw/zinc/33/24/24/344332424.db2.gz IPUPTYKBUHUCAV-MRVPVSSYSA-N -1 0 252.270 2.426 20 5 CEBDRM O=C([N-]c1nnc(C(F)F)s1)c1ccc([N+](=O)[O-])o1 ZINC000144483494 344408051 /nfs/dbraw/zinc/40/80/51/344408051.db2.gz SWZOTOAOPYOFPL-UHFFFAOYSA-N -1 0 290.207 2.229 20 5 CEBDRM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000164564254 344472488 /nfs/dbraw/zinc/47/24/88/344472488.db2.gz MLWQZZXUDXZFDC-PELKAZGASA-N -1 0 298.320 2.030 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCSC2)c1 ZINC000231355849 344574447 /nfs/dbraw/zinc/57/44/47/344574447.db2.gz JQSPPZXFPXIMPQ-MRVPVSSYSA-N -1 0 268.294 2.210 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000592419556 345351054 /nfs/dbraw/zinc/35/10/54/345351054.db2.gz LREZIGJKVRTCPQ-UHFFFAOYSA-N -1 0 270.310 2.347 20 5 CEBDRM Cc1cc(NC[C@@H]2CCC[C@@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970851 345417207 /nfs/dbraw/zinc/41/72/07/345417207.db2.gz IOQCPCARMUIZMD-CABZTGNLSA-N -1 0 294.307 2.174 20 5 CEBDRM C[C@@H]1CC2(CCC2)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979031 345417935 /nfs/dbraw/zinc/41/79/35/345417935.db2.gz CGRYPSYKIAJUFO-SECBINFHSA-N -1 0 291.307 2.457 20 5 CEBDRM C[C@H](CF)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592800096 345397989 /nfs/dbraw/zinc/39/79/89/345397989.db2.gz SFYGBKPTJAARBJ-RXMQYKEDSA-N -1 0 276.651 2.042 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC000593764280 345534203 /nfs/dbraw/zinc/53/42/03/345534203.db2.gz WHLOAPNLTNJKPN-NWDGAFQWSA-N -1 0 290.319 2.450 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000593924928 345553066 /nfs/dbraw/zinc/55/30/66/345553066.db2.gz LQAFTQIEKVENQI-LLVKDONJSA-N -1 0 294.307 2.147 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000593963253 345556835 /nfs/dbraw/zinc/55/68/35/345556835.db2.gz ZTPYHLOWTYTULA-SECBINFHSA-N -1 0 295.295 2.054 20 5 CEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000594540904 345645558 /nfs/dbraw/zinc/64/55/58/345645558.db2.gz LJHXZAGOLRTBHS-SSDOTTSWSA-N -1 0 258.299 2.425 20 5 CEBDRM CO[C@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000597443868 346186977 /nfs/dbraw/zinc/18/69/77/346186977.db2.gz YSNRKKASQMOLGK-SCZZXKLOSA-N -1 0 280.280 2.054 20 5 CEBDRM CO[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000597492012 346193251 /nfs/dbraw/zinc/19/32/51/346193251.db2.gz ROSYCEVCGSPSPT-GFCCVEGCSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598209466 346305999 /nfs/dbraw/zinc/30/59/99/346305999.db2.gz UJEAKXSRQBCDQD-PKFCDNJMSA-N -1 0 290.319 2.466 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598514595 346368957 /nfs/dbraw/zinc/36/89/57/346368957.db2.gz DJBHVTWLOSWQQF-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM CC1CC(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000598778027 346418507 /nfs/dbraw/zinc/41/85/07/346418507.db2.gz HBAVOOJZENYVRX-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000356299222 370648359 /nfs/dbraw/zinc/64/83/59/370648359.db2.gz SZQKEROANJUHES-RXMQYKEDSA-N -1 0 278.186 2.437 20 5 CEBDRM C[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000086110983 179233141 /nfs/dbraw/zinc/23/31/41/179233141.db2.gz MGVLLEMWUMZDJL-ZCFIWIBFSA-N -1 0 286.265 2.316 20 5 CEBDRM O=C(Nc1c(O)cccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610891517 347720629 /nfs/dbraw/zinc/72/06/29/347720629.db2.gz MPOHKKZOYVOINO-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC(C)CCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611553926 347794193 /nfs/dbraw/zinc/79/41/93/347794193.db2.gz DVAALSKQPOFWHI-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1F ZINC000611506802 347787486 /nfs/dbraw/zinc/78/74/86/347787486.db2.gz ROKCDUGFFUBVTH-SCZZXKLOSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1F ZINC000611508270 347787961 /nfs/dbraw/zinc/78/79/61/347787961.db2.gz HJEHEEJHRLACRY-SCZZXKLOSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535299 347792009 /nfs/dbraw/zinc/79/20/09/347792009.db2.gz CRWZXNNVOSMEQV-ZETCQYMHSA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000617201590 348647941 /nfs/dbraw/zinc/64/79/41/348647941.db2.gz PLWVUGQXUPJBBU-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM Cc1cc(NC(C)(C)CCC(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026414 180308760 /nfs/dbraw/zinc/30/87/60/180308760.db2.gz GKDKNVLAGLIXLG-UHFFFAOYSA-N -1 0 267.285 2.354 20 5 CEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000111471757 186420622 /nfs/dbraw/zinc/42/06/22/186420622.db2.gz ABFRBHJWCSYTSE-ZJUUUORDSA-N -1 0 292.291 2.424 20 5 CEBDRM C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000569120529 299182853 /nfs/dbraw/zinc/18/28/53/299182853.db2.gz XYKHOVBCHBLNBT-WPRPVWTQSA-N -1 0 284.337 2.199 20 5 CEBDRM Cc1nc(NCCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000123317515 187084806 /nfs/dbraw/zinc/08/48/06/187084806.db2.gz SMGFRWBCDHZGLC-UHFFFAOYSA-N -1 0 267.285 2.355 20 5 CEBDRM CC[C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000271472774 191158240 /nfs/dbraw/zinc/15/82/40/191158240.db2.gz IUXUIMNPEKFWST-SKDRFNHKSA-N -1 0 280.280 2.197 20 5 CEBDRM CC[C@@H](C)CO[N-]C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000292089206 198158813 /nfs/dbraw/zinc/15/88/13/198158813.db2.gz FHGNOSNWHRQHEX-SNVBAGLBSA-N -1 0 296.323 2.376 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000569247970 299191641 /nfs/dbraw/zinc/19/16/41/299191641.db2.gz DFPCFSMNIQSUQG-LLVKDONJSA-N -1 0 294.307 2.203 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292344158 198252076 /nfs/dbraw/zinc/25/20/76/198252076.db2.gz PGFQLDOBZIBKDF-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)F ZINC000452260372 283234249 /nfs/dbraw/zinc/23/42/49/283234249.db2.gz GLGCUNHSWDKBPC-QMMMGPOBSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000135208863 366409175 /nfs/dbraw/zinc/40/91/75/366409175.db2.gz CALVVEVSYSTIRA-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1c([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cnn1C ZINC000339086518 366647068 /nfs/dbraw/zinc/64/70/68/366647068.db2.gz NEZQNXOWIOWLSA-VIFPVBQESA-N -1 0 290.323 2.193 20 5 CEBDRM CC(=O)c1cc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000571407302 299307850 /nfs/dbraw/zinc/30/78/50/299307850.db2.gz AVYVYZPTIXTSKU-GZMMTYOYSA-N -1 0 292.291 2.097 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000152463819 366699404 /nfs/dbraw/zinc/69/94/04/366699404.db2.gz DLHCVNCVETZNOU-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000016640710 361494432 /nfs/dbraw/zinc/49/44/32/361494432.db2.gz SMCMOKZFUYRIAP-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CCCC[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147249 363878758 /nfs/dbraw/zinc/87/87/58/363878758.db2.gz OOQNCFPAVRKNBI-LLVKDONJSA-N -1 0 294.307 2.276 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000156471352 366834179 /nfs/dbraw/zinc/83/41/79/366834179.db2.gz DRZPOKFHTLFVTB-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119130938 365222304 /nfs/dbraw/zinc/22/23/04/365222304.db2.gz LRIHZGMSFLLNRM-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(C)[C@@H](C)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162439480 367159988 /nfs/dbraw/zinc/15/99/88/367159988.db2.gz LXFWCXGJONQZDK-QMMMGPOBSA-N -1 0 267.285 2.392 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000164927029 367299625 /nfs/dbraw/zinc/29/96/25/367299625.db2.gz FJBCYQRICTUMRM-PHIMTYICSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000179543148 368341928 /nfs/dbraw/zinc/34/19/28/368341928.db2.gz UWGGIOMFLLCLOX-NXEZZACHSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1n[nH]cc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186065365 368914817 /nfs/dbraw/zinc/91/48/17/368914817.db2.gz KMPQGUIVWIDEAA-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000192793045 369854801 /nfs/dbraw/zinc/85/48/01/369854801.db2.gz VEYOIHURDXSPLL-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM CSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000194621335 370058690 /nfs/dbraw/zinc/05/86/90/370058690.db2.gz TYCZKGOHMFKCIL-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2ccccc2C1 ZINC000194738219 370070158 /nfs/dbraw/zinc/07/01/58/370070158.db2.gz NRXCWUZUNWRXFJ-UHFFFAOYSA-N -1 0 298.298 2.499 20 5 CEBDRM CC(C)CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000228072929 370395955 /nfs/dbraw/zinc/39/59/55/370395955.db2.gz FOJJOMCZIIIPSA-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM CC(C)CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232542336 370506482 /nfs/dbraw/zinc/50/64/82/370506482.db2.gz BHXOHDJXUREPLG-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM COC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000234623766 370539065 /nfs/dbraw/zinc/53/90/65/370539065.db2.gz YSBOKHPIQLOBES-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM CC[C@@](C)(OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000233999114 370528072 /nfs/dbraw/zinc/52/80/72/370528072.db2.gz CHDBFSOZDOBKLS-GFCCVEGCSA-N -1 0 268.269 2.054 20 5 CEBDRM Cc1cccc(N(C)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000235489992 189828544 /nfs/dbraw/zinc/82/85/44/189828544.db2.gz PSLCRFOYZXMLTQ-SECBINFHSA-N -1 0 252.270 2.060 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000368814062 373266692 /nfs/dbraw/zinc/26/66/92/373266692.db2.gz NUTKNAGTTJZIEG-LLVKDONJSA-N -1 0 276.292 2.173 20 5 CEBDRM CCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272430181 373480746 /nfs/dbraw/zinc/48/07/46/373480746.db2.gz RYPNILAQJPATPR-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM O=C(NCC1CCSCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272424810 373478237 /nfs/dbraw/zinc/47/82/37/373478237.db2.gz QYSIGKHOBRMEMS-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274646338 373997031 /nfs/dbraw/zinc/99/70/31/373997031.db2.gz ATPAVTASESEUJT-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM CC1=C(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000280324416 375169842 /nfs/dbraw/zinc/16/98/42/375169842.db2.gz YXDLRNCYWXMCAV-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM COC[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000381386277 375174547 /nfs/dbraw/zinc/17/45/47/375174547.db2.gz MNJIACXCCBDVKP-CQSZACIVSA-N -1 0 294.307 2.156 20 5 CEBDRM CO[C@@H](C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000381716130 375177728 /nfs/dbraw/zinc/17/77/28/375177728.db2.gz KGMPGXJRNKFELJ-QMMMGPOBSA-N -1 0 268.269 2.130 20 5 CEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000399554617 375365748 /nfs/dbraw/zinc/36/57/48/375365748.db2.gz BZTQNASDGCILTD-VGMNWLOBSA-N -1 0 279.296 2.169 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000408441269 375482176 /nfs/dbraw/zinc/48/21/76/375482176.db2.gz GZVLKGUQYDHMOZ-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM CC[C@H](C)CONC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000292224961 377231917 /nfs/dbraw/zinc/23/19/17/377231917.db2.gz ZRXGSWUAARIPMG-QMMMGPOBSA-N -1 0 270.260 2.441 20 5 CEBDRM C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000564729877 377441665 /nfs/dbraw/zinc/44/16/65/377441665.db2.gz VHQJLHKTZVZDJQ-PSASIEDQSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1cc(NCCC2(CO)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034538 377538305 /nfs/dbraw/zinc/53/83/05/377538305.db2.gz BDXVKYFZUFEGCP-UHFFFAOYSA-N -1 0 294.307 2.176 20 5 CEBDRM COc1cccc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000565040041 377540366 /nfs/dbraw/zinc/54/03/66/377540366.db2.gz GXCUXEFKCUNPTG-YMTOWFKASA-N -1 0 294.307 2.150 20 5 CEBDRM O=C(NCc1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000347247918 218168549 /nfs/dbraw/zinc/16/85/49/218168549.db2.gz ZSXBDIIFAKALDS-UHFFFAOYSA-N -1 0 272.260 2.230 20 5 CEBDRM O=C([O-])c1cc(C(=O)NC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000237977372 304222403 /nfs/dbraw/zinc/22/24/03/304222403.db2.gz UBCCPIZTGPMJND-UHFFFAOYSA-N -1 0 292.291 2.356 20 5 CEBDRM C[C@@H]1CCCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000575752877 299568094 /nfs/dbraw/zinc/56/80/94/299568094.db2.gz RSWZNABVYQWLBH-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000281256963 195170668 /nfs/dbraw/zinc/17/06/68/195170668.db2.gz QNYLHTSTLFXVEZ-RKDXNWHRSA-N -1 0 292.291 2.244 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC(=O)[O-] ZINC000190523718 130115915 /nfs/dbraw/zinc/11/59/15/130115915.db2.gz RSBLECBSCUNFDQ-UHFFFAOYSA-N -1 0 294.307 2.115 20 5 CEBDRM Cc1cnc(N2CCC(CCC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000090691706 135064200 /nfs/dbraw/zinc/06/42/00/135064200.db2.gz YYPDTZULZZBICA-UHFFFAOYSA-N -1 0 293.323 2.379 20 5 CEBDRM COC(=O)[C@H](C)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412989223 394452895 /nfs/dbraw/zinc/45/28/95/394452895.db2.gz CAOCCXRSSCRECC-MRVPVSSYSA-N -1 0 285.321 2.343 20 5 CEBDRM O=C(NCCc1cccs1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130267682 394884816 /nfs/dbraw/zinc/88/48/16/394884816.db2.gz RZOIBTMXGXQRER-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436498994 395122050 /nfs/dbraw/zinc/12/20/50/395122050.db2.gz YERHDHPWSIDWPK-KWQFWETISA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000436827945 395157704 /nfs/dbraw/zinc/15/77/04/395157704.db2.gz LFJIRCMOKVCOPT-VIFPVBQESA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436992542 395171246 /nfs/dbraw/zinc/17/12/46/395171246.db2.gz WYWTVZBHIPTIKZ-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000437006643 395172769 /nfs/dbraw/zinc/17/27/69/395172769.db2.gz YQKQDIYSSYBLDC-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM CO[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000520234951 395239995 /nfs/dbraw/zinc/23/99/95/395239995.db2.gz LFJWJNGVTFPDOA-HTQZYQBOSA-N -1 0 268.269 2.128 20 5 CEBDRM CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184816386 395275449 /nfs/dbraw/zinc/27/54/49/395275449.db2.gz JGXCQVIGBUEILL-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC1(C)CC[C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000573971785 395623344 /nfs/dbraw/zinc/62/33/44/395623344.db2.gz WPFWHKPEVWAKMQ-QMMMGPOBSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cccc(N2CCSC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000574043865 395625158 /nfs/dbraw/zinc/62/51/58/395625158.db2.gz WOSUFQVAKLQGNU-JTQLQIEISA-N -1 0 296.348 2.157 20 5 CEBDRM C[C@H]1COCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574456696 395630439 /nfs/dbraw/zinc/63/04/39/395630439.db2.gz RQFBQTBFOOJBEW-UWVGGRQHSA-N -1 0 294.307 2.378 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458268847 395640866 /nfs/dbraw/zinc/64/08/66/395640866.db2.gz ZFWPYGWMXYLGOQ-JCOFBHIZSA-N -1 0 276.292 2.219 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2CCC1CC2 ZINC000360669226 155346811 /nfs/dbraw/zinc/34/68/11/155346811.db2.gz BXGCBYWZKPQYKS-UHFFFAOYSA-N -1 0 276.292 2.315 20 5 CEBDRM COC[C@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000360764600 155365677 /nfs/dbraw/zinc/36/56/77/155365677.db2.gz QLCIZMWDONZXEI-DTWKUNHWSA-N -1 0 282.296 2.158 20 5 CEBDRM CCCN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000263113874 154022058 /nfs/dbraw/zinc/02/20/58/154022058.db2.gz DRBNKCLBUPKCNV-UHFFFAOYSA-N -1 0 294.307 2.148 20 5 CEBDRM CCC(=O)c1ccc(NCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000263388371 154071914 /nfs/dbraw/zinc/07/19/14/154071914.db2.gz FMSXJULQXVMKAK-UHFFFAOYSA-N -1 0 280.280 2.464 20 5 CEBDRM CN(CCC(=O)[O-])c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000263397737 154076401 /nfs/dbraw/zinc/07/64/01/154076401.db2.gz ICGDOZBVUHPCKF-UHFFFAOYSA-N -1 0 290.222 2.107 20 5 CEBDRM CC(C)C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000263434681 154087460 /nfs/dbraw/zinc/08/74/60/154087460.db2.gz UUOMWLJXIUCAQH-NSHDSACASA-N -1 0 292.295 2.382 20 5 CEBDRM C[C@H](CN(C)c1nc2ccccc2cc1[N+](=O)[O-])C(=O)[O-] ZINC000263550666 154126398 /nfs/dbraw/zinc/12/63/98/154126398.db2.gz KPAVPEUZJQVBGJ-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM CCOc1cccc(N2CCC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000167662576 286573054 /nfs/dbraw/zinc/57/30/54/286573054.db2.gz JMVCSSRGVRADOI-JTQLQIEISA-N -1 0 294.307 2.295 20 5 CEBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000020214741 171076990 /nfs/dbraw/zinc/07/69/90/171076990.db2.gz BKZFIVSMOUUJBH-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCCC(=O)[O-] ZINC000020362137 171161121 /nfs/dbraw/zinc/16/11/21/171161121.db2.gz ZRZYMRXMYHIKIG-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM Cc1cc(N(CC(=O)[O-])CC2CC2)ccc1[N+](=O)[O-] ZINC000036885759 172781401 /nfs/dbraw/zinc/78/14/01/172781401.db2.gz BEQFMGQXWIOQFH-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM CCCN(CC(=O)[O-])c1cccc(F)c1[N+](=O)[O-] ZINC000038021134 174000190 /nfs/dbraw/zinc/00/01/90/174000190.db2.gz QTSUOIUSLYIDNS-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000038021233 174000299 /nfs/dbraw/zinc/00/02/99/174000299.db2.gz KFGRHXVJLCSQDU-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1 ZINC000077165946 177229340 /nfs/dbraw/zinc/22/93/40/177229340.db2.gz FYPOEEXDJWTOBG-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000435998807 419410968 /nfs/dbraw/zinc/41/09/68/419410968.db2.gz GZDSGKBGENNTSS-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)CCC2CC2)n1 ZINC000519162000 265348650 /nfs/dbraw/zinc/34/86/50/265348650.db2.gz WOASSHOKLJKVGI-MRVPVSSYSA-N -1 0 293.323 2.409 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226166994 266019447 /nfs/dbraw/zinc/01/94/47/266019447.db2.gz NCZSGGQQWJVDOK-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H](C)[C@H]1C ZINC000399573879 270370897 /nfs/dbraw/zinc/37/08/97/270370897.db2.gz PNNXAUCPZVKVHS-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1Cc2ccccc2C1 ZINC000133367795 279996716 /nfs/dbraw/zinc/99/67/16/279996716.db2.gz SUSGIJBZKXXXAU-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM Cc1occc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181919895 280109133 /nfs/dbraw/zinc/10/91/33/280109133.db2.gz WSWHEUYJVDCUCX-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000233859405 280219787 /nfs/dbraw/zinc/21/97/87/280219787.db2.gz KOKUKDFRMPPVAD-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000228545546 280386992 /nfs/dbraw/zinc/38/69/92/280386992.db2.gz HCQCOHYBLIVZDK-NSHDSACASA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000412383492 280389420 /nfs/dbraw/zinc/38/94/20/280389420.db2.gz LFPWIMLGPVWALR-SNVBAGLBSA-N -1 0 264.281 2.171 20 5 CEBDRM CC1(C)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280716754 281086512 /nfs/dbraw/zinc/08/65/12/281086512.db2.gz GWFGZEDIHOPDSU-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000163954525 304524857 /nfs/dbraw/zinc/52/48/57/304524857.db2.gz UTDPUXZRHFFNEW-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C)S1 ZINC000543432377 298308815 /nfs/dbraw/zinc/30/88/15/298308815.db2.gz FGZLGRVNYJQDIJ-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119190922 300062908 /nfs/dbraw/zinc/06/29/08/300062908.db2.gz RIRWKGZJNNOWRU-IUCAKERBSA-N -1 0 264.281 2.313 20 5 CEBDRM Cc1ccc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000263247336 301631555 /nfs/dbraw/zinc/63/15/55/301631555.db2.gz SJGPONQQUQATNT-WDEREUQCSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ocnc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000351021364 312965907 /nfs/dbraw/zinc/96/59/07/312965907.db2.gz DMNXTDVKIIQKDQ-UHFFFAOYSA-N -1 0 288.219 2.314 20 5 CEBDRM CC[C@@H]1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000565035273 313791906 /nfs/dbraw/zinc/79/19/06/313791906.db2.gz IQIGJWUPNSZZCA-SECBINFHSA-N -1 0 279.296 2.233 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(C)=C[C@@H](C)C2)n1 ZINC000571926423 314112057 /nfs/dbraw/zinc/11/20/57/314112057.db2.gz QFXZHCJJMCMUDF-MRVPVSSYSA-N -1 0 291.307 2.399 20 5 CEBDRM O=C(CCc1ccncc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183911898 321723680 /nfs/dbraw/zinc/72/36/80/321723680.db2.gz JPRBWEKZPSCVHI-UHFFFAOYSA-N -1 0 287.275 2.267 20 5 CEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C)S1 ZINC000380531821 321830629 /nfs/dbraw/zinc/83/06/29/321830629.db2.gz UEDDKWUFKGPGBA-OCAPTIKFSA-N -1 0 297.336 2.018 20 5 CEBDRM CC[C@@H]1CC[C@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000380555731 321830663 /nfs/dbraw/zinc/83/06/63/321830663.db2.gz YKNJOXGKARHKGP-DTWKUNHWSA-N -1 0 279.296 2.455 20 5 CEBDRM CC[C@H](Sc1c([N+](=O)[O-])nc(C)n1CC)C(=O)[O-] ZINC000381156966 321832620 /nfs/dbraw/zinc/83/26/20/321832620.db2.gz DNLGRHASKAUDLC-ZETCQYMHSA-N -1 0 273.314 2.075 20 5 CEBDRM CCCC[C@@H](Sc1ncc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000581321636 322387946 /nfs/dbraw/zinc/38/79/46/322387946.db2.gz SFCPDXCSRFVTQO-SECBINFHSA-N -1 0 285.325 2.429 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(CF)CC2)n1 ZINC000583567080 322554387 /nfs/dbraw/zinc/55/43/87/322554387.db2.gz GPRYPCDNJTVULL-UHFFFAOYSA-N -1 0 297.286 2.182 20 5 CEBDRM CSCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000584294254 327224678 /nfs/dbraw/zinc/22/46/78/327224678.db2.gz KTAZGCDKLIQJAX-UHFFFAOYSA-N -1 0 284.337 2.401 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000164002050 533865275 /nfs/dbraw/zinc/86/52/75/533865275.db2.gz RYJNVVFAJUSMSW-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000184662214 520427322 /nfs/dbraw/zinc/42/73/22/520427322.db2.gz WTOSNZCCMGUDCQ-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000160046747 534745904 /nfs/dbraw/zinc/74/59/04/534745904.db2.gz QERZNKAHPULCHA-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC000052812098 525575249 /nfs/dbraw/zinc/57/52/49/525575249.db2.gz VAAHIQQCOQUIOA-LLVKDONJSA-N -1 0 293.323 2.379 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])CC(C)C ZINC000062742368 526068964 /nfs/dbraw/zinc/06/89/64/526068964.db2.gz BEKMMWLEEOXFIC-UHFFFAOYSA-N -1 0 294.307 2.086 20 5 CEBDRM Cn1cnc([N+](=O)[O-])c1Oc1ccc(C(=O)[O-])cc1Cl ZINC000048803843 527492210 /nfs/dbraw/zinc/49/22/10/527492210.db2.gz MZXJWFIEMHPGHN-UHFFFAOYSA-N -1 0 297.654 2.472 20 5 CEBDRM CCCc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000181999185 535411471 /nfs/dbraw/zinc/41/14/71/535411471.db2.gz OBRGDAPIVKPDKH-UHFFFAOYSA-N -1 0 290.279 2.228 20 5 CEBDRM CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736262740 574780577 /nfs/dbraw/zinc/78/05/77/574780577.db2.gz PFQPHKNMHKAWDI-UHFFFAOYSA-N -1 0 297.263 2.014 20 5 CEBDRM CN(C(=O)[O-])C1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000737938028 574848089 /nfs/dbraw/zinc/84/80/89/574848089.db2.gz RNTOYGVSVJUWCE-UHFFFAOYSA-N -1 0 299.352 2.231 20 5 CEBDRM O=C([O-])N1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000738644810 574872497 /nfs/dbraw/zinc/87/24/97/574872497.db2.gz MIWBCYNZZMLUIM-UHFFFAOYSA-N -1 0 299.714 2.044 20 5 CEBDRM CC(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000738786780 574878629 /nfs/dbraw/zinc/87/86/29/574878629.db2.gz DANYKXFMLGFTKG-SNVBAGLBSA-N -1 0 285.275 2.438 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1NC(=O)[O-] ZINC000739190364 574898804 /nfs/dbraw/zinc/89/88/04/574898804.db2.gz GMUFHMLEHWHFQX-SFYZADRCSA-N -1 0 285.325 2.139 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000739585613 574927510 /nfs/dbraw/zinc/92/75/10/574927510.db2.gz BYORRAJNTNUWGF-MRVPVSSYSA-N -1 0 285.325 2.235 20 5 CEBDRM O=C([O-])N(CCNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000740488621 574956168 /nfs/dbraw/zinc/95/61/68/574956168.db2.gz OPDXCYRIAVUFMY-UHFFFAOYSA-N -1 0 271.298 2.211 20 5 CEBDRM O=C([O-])NCCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000740650960 574963156 /nfs/dbraw/zinc/96/31/56/574963156.db2.gz CZWJFDVTGRSCKW-UHFFFAOYSA-N -1 0 290.279 2.213 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c(C(=O)[O-])[nH]1 ZINC000163403236 600254139 /nfs/dbraw/zinc/25/41/39/600254139.db2.gz JPFBXLAZDSUOFC-UHFFFAOYSA-N -1 0 295.276 2.243 20 5 CEBDRM O=C([O-])CCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051608734 600274581 /nfs/dbraw/zinc/27/45/81/600274581.db2.gz PQFQIDZFBAQMIQ-UHFFFAOYSA-N -1 0 259.645 2.492 20 5 CEBDRM C[C@@H](CC(=O)[O-])Sc1nc2sccn2c1[N+](=O)[O-] ZINC000090098865 600624949 /nfs/dbraw/zinc/62/49/49/600624949.db2.gz CCEYUCRMZBZVLZ-YFKPBYRVSA-N -1 0 287.322 2.259 20 5 CEBDRM CCCC[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC000132282208 600833239 /nfs/dbraw/zinc/83/32/39/600833239.db2.gz UFAGWPPKNGMIFO-SECBINFHSA-N -1 0 254.242 2.012 20 5 CEBDRM O=C([O-])c1cc(NC(=O)CC2CCC2)cc([N+](=O)[O-])c1 ZINC000833093639 600889729 /nfs/dbraw/zinc/88/97/29/600889729.db2.gz GSKIHIBCUUZLSB-UHFFFAOYSA-N -1 0 278.264 2.422 20 5 CEBDRM O=C([O-])[C@]1(F)CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833175666 601379581 /nfs/dbraw/zinc/37/95/81/601379581.db2.gz JWTHEFITEWCPLU-NSHDSACASA-N -1 0 288.662 2.251 20 5 CEBDRM C/C(=C\COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825769002 601426691 /nfs/dbraw/zinc/42/66/91/601426691.db2.gz FODNCFIUWXYXGX-FARCUNLSSA-N -1 0 299.666 2.436 20 5 CEBDRM Cc1nc(C(=O)[O-])cn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000832995977 601637639 /nfs/dbraw/zinc/63/76/39/601637639.db2.gz MDULOTUNYNLUQU-UHFFFAOYSA-N -1 0 295.682 2.500 20 5 CEBDRM C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739037553 601918749 /nfs/dbraw/zinc/91/87/49/601918749.db2.gz RBWDEQQCXBMGPP-VHSXEESVSA-N -1 0 294.311 2.180 20 5 CEBDRM CC[C@H](NC(=O)[C@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828906544 602189769 /nfs/dbraw/zinc/18/97/69/602189769.db2.gz IYUUGZIMCSJABT-SKDRFNHKSA-N -1 0 294.307 2.273 20 5 CEBDRM CN(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000828235105 603204922 /nfs/dbraw/zinc/20/49/22/603204922.db2.gz CSRXBLFTLVOWJS-JTQLQIEISA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1cnc(NC[C@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830634162 603207359 /nfs/dbraw/zinc/20/73/59/603207359.db2.gz LBVKOAIUHBWFMC-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1ccc(N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000830342477 603445264 /nfs/dbraw/zinc/44/52/64/603445264.db2.gz ZBPOSMGDEGMKGF-QWRGUYRKSA-N -1 0 293.323 2.386 20 5 CEBDRM CN(c1ncccc1[N+](=O)[O-])C1CCC(NC(=O)[O-])CC1 ZINC000828442120 604219033 /nfs/dbraw/zinc/21/90/33/604219033.db2.gz ZLFDCUBWTUEYGX-UHFFFAOYSA-N -1 0 294.311 2.005 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCC2CCCC2)c1=O ZINC000833308238 604386636 /nfs/dbraw/zinc/38/66/36/604386636.db2.gz UAPRTOGBBLRANB-UHFFFAOYSA-N -1 0 280.280 2.035 20 5 CEBDRM Cc1nc(N[C@H](CNC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000830775078 604442595 /nfs/dbraw/zinc/44/25/95/604442595.db2.gz LZZBZDKWHKCPGR-JTQLQIEISA-N -1 0 296.327 2.392 20 5 CEBDRM C/C(=C/COc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000302297617 604527976 /nfs/dbraw/zinc/52/79/76/604527976.db2.gz LTQIZTZKRGZITP-UITAMQMPSA-N -1 0 251.238 2.313 20 5 CEBDRM CC(C)(O)COc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000833463763 604535482 /nfs/dbraw/zinc/53/54/82/604535482.db2.gz XWMJIBOFKJGKQC-UHFFFAOYSA-N -1 0 289.671 2.096 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc([N+](=O)[O-])cc2F)O1 ZINC000833581528 604887689 /nfs/dbraw/zinc/88/76/89/604887689.db2.gz WMDMPUSCALZYND-SECBINFHSA-N -1 0 297.238 2.260 20 5 CEBDRM C[C@@H](Sc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000081588865 605142210 /nfs/dbraw/zinc/14/22/10/605142210.db2.gz RWVBZZARECRPON-ZCFIWIBFSA-N -1 0 279.277 2.103 20 5 CEBDRM O=C([O-])N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000834078291 605375725 /nfs/dbraw/zinc/37/57/25/605375725.db2.gz OZYCLKPMTISZJC-QMMMGPOBSA-N -1 0 283.259 2.146 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CN(C)C(=O)[O-] ZINC000833907304 605541309 /nfs/dbraw/zinc/54/13/09/605541309.db2.gz GDIUMUNJRNSJMD-SECBINFHSA-N -1 0 296.279 2.117 20 5 CEBDRM O=C([O-])N[C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000834150038 605921693 /nfs/dbraw/zinc/92/16/93/605921693.db2.gz KXTDMIVSEVSNBE-NSHDSACASA-N -1 0 265.269 2.053 20 5 CEBDRM O=C([O-])N1CC[C@@H](CCNc2sccc2[N+](=O)[O-])C1 ZINC000834071749 605991613 /nfs/dbraw/zinc/99/16/13/605991613.db2.gz BLTMUVVAMWDSFD-MRVPVSSYSA-N -1 0 285.325 2.458 20 5 CEBDRM CCCN(CC(=O)[O-])c1c(F)cc([N+](=O)[O-])cc1F ZINC000233011527 628951438 /nfs/dbraw/zinc/95/14/38/628951438.db2.gz CVLRDHAEEJAKDG-UHFFFAOYSA-N -1 0 274.223 2.174 20 5 CEBDRM CSC1(c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)CC1 ZINC000896784648 630666899 /nfs/dbraw/zinc/66/68/99/630666899.db2.gz JMZVMFDAQVLETE-UHFFFAOYSA-N -1 0 266.282 2.325 20 5 CEBDRM O=C(OCCCc1cscn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000799661547 631056848 /nfs/dbraw/zinc/05/68/48/631056848.db2.gz QRHJCJZNGISEPL-UHFFFAOYSA-N -1 0 281.293 2.169 20 5 CEBDRM CO[C@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000899351136 632800350 /nfs/dbraw/zinc/80/03/50/632800350.db2.gz APGKBVSSNLAGEE-SECBINFHSA-N -1 0 277.280 2.031 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000899404524 632834560 /nfs/dbraw/zinc/83/45/60/632834560.db2.gz GTVSZKGXFWBTKP-QCZKYFFMSA-N -1 0 290.319 2.322 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000899404523 632834720 /nfs/dbraw/zinc/83/47/20/632834720.db2.gz GTVSZKGXFWBTKP-PKZYVASSSA-N -1 0 290.319 2.322 20 5 CEBDRM O=C([O-])[C@]1(F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901513773 634170818 /nfs/dbraw/zinc/17/08/18/634170818.db2.gz DPEKGLCMPMXDHO-MFBWXBCUSA-N -1 0 294.282 2.107 20 5 CEBDRM CC[C@@H]1C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910378763 638030608 /nfs/dbraw/zinc/03/06/08/638030608.db2.gz RXYPPSBFNOQSKB-MWLCHTKSSA-N -1 0 264.281 2.432 20 5 CEBDRM COCCCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837479782 639247854 /nfs/dbraw/zinc/24/78/54/639247854.db2.gz BGYULXLAVICMGD-UHFFFAOYSA-N -1 0 283.280 2.160 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCOCC1 ZINC000837689536 639344229 /nfs/dbraw/zinc/34/42/29/639344229.db2.gz ALRPWVCAXNFVQV-SNVBAGLBSA-N -1 0 295.291 2.160 20 5 CEBDRM CO[C@](C)(C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000837740521 639368948 /nfs/dbraw/zinc/36/89/48/639368948.db2.gz NZDNEQCHBKTKFE-AWEZNQCLSA-N -1 0 295.291 2.159 20 5 CEBDRM CCC[C@@H](OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837795957 639388445 /nfs/dbraw/zinc/38/84/45/639388445.db2.gz QCGVXMOZUSGIFR-GFCCVEGCSA-N -1 0 283.280 2.159 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000841491743 639777524 /nfs/dbraw/zinc/77/75/24/639777524.db2.gz WESDERKEYSYCQW-SNVBAGLBSA-N -1 0 294.307 2.042 20 5 CEBDRM CO[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)CC(C)C ZINC000842456415 640065583 /nfs/dbraw/zinc/06/55/83/640065583.db2.gz BYGNRUDEHNLTQB-VIFPVBQESA-N -1 0 270.285 2.141 20 5 CEBDRM CS[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844212462 640633567 /nfs/dbraw/zinc/63/35/67/640633567.db2.gz XZEARDGVZBGCPV-JTQLQIEISA-N -1 0 296.348 2.164 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2COC3(CCC3)C2)c1 ZINC000849348159 642339652 /nfs/dbraw/zinc/33/96/52/642339652.db2.gz KLCHGLLDRWWUKM-JTQLQIEISA-N -1 0 292.291 2.417 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000852909903 643596160 /nfs/dbraw/zinc/59/61/60/643596160.db2.gz FSNALTVGCUTVSB-SNVBAGLBSA-N -1 0 293.323 2.258 20 5 CEBDRM CON(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000758771254 644957090 /nfs/dbraw/zinc/95/70/90/644957090.db2.gz ZXNPPEDGTJLSCK-UHFFFAOYSA-N -1 0 280.280 2.247 20 5 CEBDRM O=C([O-])C1=CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000863479059 646737969 /nfs/dbraw/zinc/73/79/69/646737969.db2.gz VWHAEPCBVMDTIC-ZETCQYMHSA-N -1 0 254.267 2.242 20 5 CEBDRM O=C(OCCCC1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000789557666 648317156 /nfs/dbraw/zinc/31/71/56/648317156.db2.gz XCROASISBYQTGO-UHFFFAOYSA-N -1 0 282.296 2.287 20 5 CEBDRM O=C(OC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000806052431 648857257 /nfs/dbraw/zinc/85/72/57/648857257.db2.gz GAJALRQBDPOWSK-QMMMGPOBSA-N -1 0 270.310 2.223 20 5 CEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1ccc([N+](=O)[O-])s1)CC2 ZINC000871868204 649203215 /nfs/dbraw/zinc/20/32/15/649203215.db2.gz VLEOTGFYFLAMBY-PELKAZGASA-N -1 0 282.321 2.490 20 5 CEBDRM CCO[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000873602517 649708145 /nfs/dbraw/zinc/70/81/45/649708145.db2.gz ZUCINCLFDVNGHY-NXEZZACHSA-N -1 0 282.296 2.427 20 5 CEBDRM COc1cc(O[C@@H](C)C2=CC=C[CH]2)ncc1[N+](=O)[O-] ZINC001226580781 805661191 /nfs/dbraw/zinc/66/11/91/805661191.db2.gz DMBWZKZUEZWWCY-VIFPVBQESA-N -1 0 261.257 2.466 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000722671057 802458542 /nfs/dbraw/zinc/45/85/42/802458542.db2.gz BZNYQSNVXMOODZ-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cccc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000722673437 802461749 /nfs/dbraw/zinc/46/17/49/802461749.db2.gz QTLKRBYSRNGKRT-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ccc(C(N)=O)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210397715 802679283 /nfs/dbraw/zinc/67/92/83/802679283.db2.gz FMLJRPVSPMGGIS-UHFFFAOYSA-N -1 0 287.275 2.451 20 5 CEBDRM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000217316264 813327184 /nfs/dbraw/zinc/32/71/84/813327184.db2.gz ULICVJLFUBRONB-NXEZZACHSA-N -1 0 293.323 2.208 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693025198 808749188 /nfs/dbraw/zinc/74/91/88/808749188.db2.gz FAMRGLONCYZJAQ-KYZUINATSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnnc(Cl)c2)cc1[N+](=O)[O-] ZINC001174502413 816028998 /nfs/dbraw/zinc/02/89/98/816028998.db2.gz NOYGAVVIZFXKEQ-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=C([O-])c1cc(Nc2cnc3cccnn32)cc([N+](=O)[O-])c1 ZINC001176671892 816453053 /nfs/dbraw/zinc/45/30/53/816453053.db2.gz CTBRGJWNJKIAEH-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM CCCC[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000035098572 361810851 /nfs/dbraw/zinc/81/08/51/361810851.db2.gz UUYXQELAFCVPSL-SNVBAGLBSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C([O-])CCCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000037563152 361904902 /nfs/dbraw/zinc/90/49/02/361904902.db2.gz LBLJSVIHVQSAHW-UHFFFAOYSA-N -1 0 286.309 2.031 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC(C)(C)O1 ZINC000041681471 362047413 /nfs/dbraw/zinc/04/74/13/362047413.db2.gz BQOJRKNKFRSQBE-SECBINFHSA-N -1 0 294.307 2.297 20 5 CEBDRM C[C@H](C1CC1)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601936213 346932323 /nfs/dbraw/zinc/93/23/23/346932323.db2.gz BBJYUAIQUXGJGI-SECBINFHSA-N -1 0 273.292 2.330 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000601936214 346932463 /nfs/dbraw/zinc/93/24/63/346932463.db2.gz QPRRIOLBDFRFPT-LBPRGKRZSA-N -1 0 289.291 2.031 20 5 CEBDRM CCn1cc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000449668117 282323919 /nfs/dbraw/zinc/32/39/19/282323919.db2.gz KCWQJIKIDKPSFC-SNVBAGLBSA-N -1 0 290.323 2.368 20 5 CEBDRM CCn1nc(C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531517 344124876 /nfs/dbraw/zinc/12/48/76/344124876.db2.gz WGESDMVUXSUEDN-UHFFFAOYSA-N -1 0 290.279 2.078 20 5 CEBDRM CCOc1cc(N2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044832 344270340 /nfs/dbraw/zinc/27/03/40/344270340.db2.gz YFTZYSCKJDXLJJ-JTQLQIEISA-N -1 0 294.307 2.437 20 5 CEBDRM CCOc1cc(N[C@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044670 344270440 /nfs/dbraw/zinc/27/04/40/344270440.db2.gz NKXNOCHCKDHSDD-SECBINFHSA-N -1 0 268.269 2.269 20 5 CEBDRM C[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000166852106 344477528 /nfs/dbraw/zinc/47/75/28/344477528.db2.gz PFQJFLMXYRKQMO-SSDOTTSWSA-N -1 0 265.269 2.146 20 5 CEBDRM CCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225787026 344547412 /nfs/dbraw/zinc/54/74/12/344547412.db2.gz TUVUUYHKWHLXFX-QMMMGPOBSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C([O-])c1cnc(NCC2CCSCC2)c([N+](=O)[O-])c1 ZINC000229290735 344565131 /nfs/dbraw/zinc/56/51/31/344565131.db2.gz FNETXCNMJPULRF-UHFFFAOYSA-N -1 0 297.336 2.243 20 5 CEBDRM CSCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000302264880 344703066 /nfs/dbraw/zinc/70/30/66/344703066.db2.gz CXIIWTUEVAAVRG-UHFFFAOYSA-N -1 0 284.337 2.482 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000592421650 345351057 /nfs/dbraw/zinc/35/10/57/345351057.db2.gz YGHNTULHGCDHPU-GXSJLCMTSA-N -1 0 294.307 2.406 20 5 CEBDRM Cc1nnc(CSCc2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000593200259 345452912 /nfs/dbraw/zinc/45/29/12/345452912.db2.gz URXFDKNBXLKKLG-UHFFFAOYSA-N -1 0 281.293 2.425 20 5 CEBDRM CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000592953100 345416837 /nfs/dbraw/zinc/41/68/37/345416837.db2.gz QKQJFWVKVOASTO-SNVBAGLBSA-N -1 0 294.307 2.052 20 5 CEBDRM Cc1cc(NCC2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969220 345417137 /nfs/dbraw/zinc/41/71/37/345417137.db2.gz HJZPKZMBTLRTLN-UHFFFAOYSA-N -1 0 294.307 2.440 20 5 CEBDRM C[C@]1(C(=O)[O-])CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000592980895 345418335 /nfs/dbraw/zinc/41/83/35/345418335.db2.gz GFHJMOUQQVRNMQ-NSHDSACASA-N -1 0 270.310 2.347 20 5 CEBDRM O=C(NC1CC=CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592775369 345395366 /nfs/dbraw/zinc/39/53/66/345395366.db2.gz BVPOEKLFXDOHRT-UHFFFAOYSA-N -1 0 282.683 2.402 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000592826222 345400456 /nfs/dbraw/zinc/40/04/56/345400456.db2.gz PEPNAGFAPLEUBS-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C([O-])CC1(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000593325441 345466517 /nfs/dbraw/zinc/46/65/17/345466517.db2.gz BCRCOHYAYJMCKC-UHFFFAOYSA-N -1 0 290.279 2.280 20 5 CEBDRM O=C([O-])c1ccnc(NCCCC2CCC2)c1[N+](=O)[O-] ZINC000594736824 345681986 /nfs/dbraw/zinc/68/19/86/345681986.db2.gz WJLOEVBLQZZWKR-UHFFFAOYSA-N -1 0 279.296 2.102 20 5 CEBDRM Cc1c(C(=O)N(CC(=O)[O-])CC(C)C)cccc1[N+](=O)[O-] ZINC000059882362 362653703 /nfs/dbraw/zinc/65/37/03/362653703.db2.gz HVFHIXKURMNPQK-UHFFFAOYSA-N -1 0 294.307 2.086 20 5 CEBDRM CC(C)(C(=O)[O-])n1cc(Nc2ccc([N+](=O)[O-])s2)cn1 ZINC000595979348 345920452 /nfs/dbraw/zinc/92/04/52/345920452.db2.gz SYKYXVMRDQQDGQ-UHFFFAOYSA-N -1 0 296.308 2.416 20 5 CEBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000597445213 346186917 /nfs/dbraw/zinc/18/69/17/346186917.db2.gz SMOQHLXEFJIOOL-TVQRCGJNSA-N -1 0 294.307 2.444 20 5 CEBDRM CC[C@H](Sc1c([N+](=O)[O-])c(C)nn1CC)C(=O)[O-] ZINC000097824453 185671804 /nfs/dbraw/zinc/67/18/04/185671804.db2.gz ISCJEPUHFBPBAE-ZETCQYMHSA-N -1 0 273.314 2.075 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598782656 346419512 /nfs/dbraw/zinc/41/95/12/346419512.db2.gz NJNAMVOKQKGFEB-QMMMGPOBSA-N -1 0 286.234 2.076 20 5 CEBDRM CCC[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OCC ZINC000600175060 346615386 /nfs/dbraw/zinc/61/53/86/346615386.db2.gz OKAFYRGJRCAXDQ-CYBMUJFWSA-N -1 0 296.323 2.235 20 5 CEBDRM CCC[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])OCC ZINC000600678069 346671898 /nfs/dbraw/zinc/67/18/98/346671898.db2.gz KMTSOMBXRGHVBB-SNVBAGLBSA-N -1 0 297.311 2.305 20 5 CEBDRM CO[C@H]1C[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000600678339 346672207 /nfs/dbraw/zinc/67/22/07/346672207.db2.gz JSDDDRFGMXMDMZ-AOOOYVTPSA-N -1 0 294.307 2.438 20 5 CEBDRM CC[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880327 346702975 /nfs/dbraw/zinc/70/29/75/346702975.db2.gz ZCTIBVAEBXURBJ-YMTOWFKASA-N -1 0 294.307 2.057 20 5 CEBDRM CCC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000182076298 282520994 /nfs/dbraw/zinc/52/09/94/282520994.db2.gz NBHWLKWTDMHUPM-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000618469129 348952068 /nfs/dbraw/zinc/95/20/68/348952068.db2.gz WRAOPSWFNKXKFW-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM CCc1nn(C)cc1[N-]c1nc2sccn2c1[N+](=O)[O-] ZINC000091026361 180089739 /nfs/dbraw/zinc/08/97/39/180089739.db2.gz ZPNKHDPYLSZGCC-UHFFFAOYSA-N -1 0 292.324 2.344 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225795531 535159878 /nfs/dbraw/zinc/15/98/78/535159878.db2.gz IMMOZFMJHOVXOD-SECBINFHSA-N -1 0 266.297 2.417 20 5 CEBDRM Cc1ncccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000072913553 363180614 /nfs/dbraw/zinc/18/06/14/363180614.db2.gz ONRPINMSVFNPEV-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC(C)(CO)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000578511611 366504644 /nfs/dbraw/zinc/50/46/44/366504644.db2.gz YRQCAVRBYNUAKX-UHFFFAOYSA-N -1 0 296.323 2.042 20 5 CEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000137663277 366545661 /nfs/dbraw/zinc/54/56/61/366545661.db2.gz FDZOOLKCOQEHPP-UHFFFAOYSA-N -1 0 267.285 2.293 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000081809130 363742038 /nfs/dbraw/zinc/74/20/38/363742038.db2.gz USOAMULCNDNZMG-QMMMGPOBSA-N -1 0 252.270 2.171 20 5 CEBDRM Cc1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000092546990 364080302 /nfs/dbraw/zinc/08/03/02/364080302.db2.gz LRGHAKSNMJFJHW-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356548254 370750824 /nfs/dbraw/zinc/75/08/24/370750824.db2.gz LDUMZFZZWFBTGT-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000356550937 370751273 /nfs/dbraw/zinc/75/12/73/370751273.db2.gz PGGXUHLBFXKANB-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM COc1cccc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000582181072 366874978 /nfs/dbraw/zinc/87/49/78/366874978.db2.gz FAPWSKIGRNDWFD-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000164927293 367299726 /nfs/dbraw/zinc/29/97/26/367299726.db2.gz FJBCYQRICTUMRM-QWRGUYRKSA-N -1 0 276.292 2.173 20 5 CEBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000181980909 368512217 /nfs/dbraw/zinc/51/22/17/368512217.db2.gz VZVCCFCONIWGHT-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185448072 368808321 /nfs/dbraw/zinc/80/83/21/368808321.db2.gz UPMBZWSBSQQWRY-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM O=C(CCc1ccco1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000186027266 368907834 /nfs/dbraw/zinc/90/78/34/368907834.db2.gz YTDYRJVXLVTKHL-UHFFFAOYSA-N -1 0 276.248 2.465 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)[nH]1 ZINC000350823032 369575047 /nfs/dbraw/zinc/57/50/47/369575047.db2.gz JCHOSHQMCQZJIV-UHFFFAOYSA-N -1 0 290.210 2.485 20 5 CEBDRM CC[C@H](C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233987037 370527954 /nfs/dbraw/zinc/52/79/54/370527954.db2.gz IMMWDSLZAQRZEL-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561793 370591886 /nfs/dbraw/zinc/59/18/86/370591886.db2.gz BOAVTRIVLXJXFC-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CCC1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000236637964 370599971 /nfs/dbraw/zinc/59/99/71/370599971.db2.gz XMSMWBYYISZUAA-UHFFFAOYSA-N -1 0 292.291 2.213 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000236452858 370589357 /nfs/dbraw/zinc/58/93/57/370589357.db2.gz NAOCTIQZVANEAJ-DTWKUNHWSA-N -1 0 278.264 2.034 20 5 CEBDRM CCCCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236749241 370619158 /nfs/dbraw/zinc/61/91/58/370619158.db2.gz CTSNVYFLELMLBJ-UHFFFAOYSA-N -1 0 280.280 2.213 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC1(C)C ZINC000331985988 204362622 /nfs/dbraw/zinc/36/26/22/204362622.db2.gz PKYIDHGZRFBCJZ-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cncs1 ZINC000254971793 371545337 /nfs/dbraw/zinc/54/53/37/371545337.db2.gz GPQMTZQBHIPKAU-UPHRSURJSA-N -1 0 277.261 2.315 20 5 CEBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cs1 ZINC000344737610 217293799 /nfs/dbraw/zinc/29/37/99/217293799.db2.gz OEGUWKQHSRCDIU-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272394213 373463197 /nfs/dbraw/zinc/46/31/97/373463197.db2.gz VSENRLMNGSYVMG-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM CC1(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000280143529 375106162 /nfs/dbraw/zinc/10/61/62/375106162.db2.gz TZUMLQDGRCZSHH-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC1(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000280004247 375058901 /nfs/dbraw/zinc/05/89/01/375058901.db2.gz MMJBMQDVLRTRTI-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@@H](CC(C)(C)O)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000384905083 375221314 /nfs/dbraw/zinc/22/13/14/375221314.db2.gz XNAPOTVQKLDKBN-QMMMGPOBSA-N -1 0 282.296 2.254 20 5 CEBDRM CCC(CC)(CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000387002857 375268755 /nfs/dbraw/zinc/26/87/55/375268755.db2.gz XCDJQNMFMWVTSQ-UHFFFAOYSA-N -1 0 297.311 2.305 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000386931185 375269242 /nfs/dbraw/zinc/26/92/42/375269242.db2.gz RMKIEXPADCCPMV-LBPRGKRZSA-N -1 0 292.291 2.274 20 5 CEBDRM CC1=CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000280826493 375335059 /nfs/dbraw/zinc/33/50/59/375335059.db2.gz WBFKYPNFUGMHSO-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CC(C)SCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000286620054 376015972 /nfs/dbraw/zinc/01/59/72/376015972.db2.gz GKQOLDYXVJRPNN-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC(C)(C)CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000416436923 376070307 /nfs/dbraw/zinc/07/03/07/376070307.db2.gz FMHVXAJDCRUCRZ-SECBINFHSA-N -1 0 282.300 2.076 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCC(CC)(CC)C(=O)[O-] ZINC000313865977 376757161 /nfs/dbraw/zinc/75/71/61/376757161.db2.gz XMNQGAMTDLUJAY-UHFFFAOYSA-N -1 0 298.343 2.423 20 5 CEBDRM Cc1ccnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427897697 377463516 /nfs/dbraw/zinc/46/35/16/377463516.db2.gz QXYOZMWPAMUOMH-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565040846 377540358 /nfs/dbraw/zinc/54/03/58/377540358.db2.gz LFJWJNGVTFPDOA-YUMQZZPRSA-N -1 0 268.269 2.128 20 5 CEBDRM CC(C)ONC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000294119085 377910949 /nfs/dbraw/zinc/91/09/49/377910949.db2.gz NVNJLLSWYHRZNL-VMPITWQZSA-N -1 0 250.254 2.064 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OC ZINC000295324569 378106476 /nfs/dbraw/zinc/10/64/76/378106476.db2.gz BDOVQRPHRRXATN-ZANVPECISA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[C@@H]2O)c1 ZINC000211472737 394448411 /nfs/dbraw/zinc/44/84/11/394448411.db2.gz GIGMGMPSUHAKBH-MFKMUULPSA-N -1 0 294.307 2.256 20 5 CEBDRM C[C@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1(F)F ZINC000421797028 394598664 /nfs/dbraw/zinc/59/86/64/394598664.db2.gz ANSGZOXVYRZKKA-SNVBAGLBSA-N -1 0 272.207 2.284 20 5 CEBDRM Cc1cccc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263221197 394628144 /nfs/dbraw/zinc/62/81/44/394628144.db2.gz PDEANEPEFQTDFJ-ONGXEEELSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC000422557081 394708907 /nfs/dbraw/zinc/70/89/07/394708907.db2.gz IJVRDJQOVKQRFZ-LDYMZIIASA-N -1 0 293.323 2.154 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000269275536 394716798 /nfs/dbraw/zinc/71/67/98/394716798.db2.gz IJERQCBXSDGJJJ-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CCO)c1ccco1 ZINC000339097821 394942852 /nfs/dbraw/zinc/94/28/52/394942852.db2.gz WKZMICOABYQDDJ-GFCCVEGCSA-N -1 0 292.291 2.107 20 5 CEBDRM CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC(C)C ZINC000416262390 395041390 /nfs/dbraw/zinc/04/13/90/395041390.db2.gz OSDQGNMEVJQBLA-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436498992 395122146 /nfs/dbraw/zinc/12/21/46/395122146.db2.gz YERHDHPWSIDWPK-KCJUWKMLSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC12CCC2 ZINC000436795998 395154352 /nfs/dbraw/zinc/15/43/52/395154352.db2.gz SSYXMQURSYLMMM-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000191937080 395366699 /nfs/dbraw/zinc/36/66/99/395366699.db2.gz BYPHZCPOGRSPQS-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000566296807 395510880 /nfs/dbraw/zinc/51/08/80/395510880.db2.gz HMAZDKXDTXILFD-ZJUUUORDSA-N -1 0 279.296 2.272 20 5 CEBDRM CCC[C@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574574578 395632898 /nfs/dbraw/zinc/63/28/98/395632898.db2.gz RRHHSBUKWZXCSG-JTQLQIEISA-N -1 0 282.296 2.174 20 5 CEBDRM CC[C@@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574991764 395642989 /nfs/dbraw/zinc/64/29/89/395642989.db2.gz IICSLYXEBJQEOE-PRHODGIISA-N -1 0 282.296 2.112 20 5 CEBDRM C[C@@H]1CC[C@@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343821708 296663150 /nfs/dbraw/zinc/66/31/50/296663150.db2.gz YJPBMIOJNFBWGS-KCJUWKMLSA-N -1 0 274.280 2.277 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000263275012 154047593 /nfs/dbraw/zinc/04/75/93/154047593.db2.gz WNNIIBKTQLQVSP-SNVBAGLBSA-N -1 0 294.307 2.195 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NC2CCC(C(=O)[O-])CC2)c1 ZINC000263549455 154122063 /nfs/dbraw/zinc/12/20/63/154122063.db2.gz JRWUCNKECJYWBR-UHFFFAOYSA-N -1 0 279.296 2.232 20 5 CEBDRM CCOc1cccc(N2CC[C@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134885709 286573531 /nfs/dbraw/zinc/57/35/31/286573531.db2.gz BYCRIJOKBSSYPF-AWEZNQCLSA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000555599991 298531044 /nfs/dbraw/zinc/53/10/44/298531044.db2.gz HEBJUDPNYQJAIT-UHFFFAOYSA-N -1 0 295.276 2.018 20 5 CEBDRM O=C(Nc1cc(F)ccc1O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000174897120 165119481 /nfs/dbraw/zinc/11/94/81/165119481.db2.gz NLPHZZZUZREHDX-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM Cc1nc([N-]S(=O)(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000180757243 165321579 /nfs/dbraw/zinc/32/15/79/165321579.db2.gz QQGGUZICICUDQP-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000044747700 175242967 /nfs/dbraw/zinc/24/29/67/175242967.db2.gz QIAVAGCZKSCNMK-JTQLQIEISA-N -1 0 294.307 2.229 20 5 CEBDRM O=C(Nc1cccc2[nH]cnc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000428047373 271240270 /nfs/dbraw/zinc/24/02/70/271240270.db2.gz JEXZFFJRZAJOCG-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CN(CC1CCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151170792 280090753 /nfs/dbraw/zinc/09/07/53/280090753.db2.gz ULKLCVHDHDVAAK-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)c1ccsc1 ZINC000339096749 280368894 /nfs/dbraw/zinc/36/88/94/280368894.db2.gz RFIABMCAGFSODJ-GFCCVEGCSA-N -1 0 294.332 2.185 20 5 CEBDRM COc1cc(-c2nc3cc[nH]cc-3n2)cc([N+](=O)[O-])c1[O-] ZINC000154603394 289150624 /nfs/dbraw/zinc/15/06/24/289150624.db2.gz HCTFWVMYJVEQLX-UHFFFAOYSA-N -1 0 286.247 2.247 20 5 CEBDRM C[C@@]1(F)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339059953 289186775 /nfs/dbraw/zinc/18/67/75/289186775.db2.gz CYUOXJYQRQKHTL-GFCCVEGCSA-N -1 0 254.261 2.234 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2CCC1CC2 ZINC000362032864 304528858 /nfs/dbraw/zinc/52/88/58/304528858.db2.gz QYOZWVXVYDNQBG-UHFFFAOYSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[C@@H](F)C2)n1 ZINC000517378910 297621432 /nfs/dbraw/zinc/62/14/32/297621432.db2.gz YPQDDMJCYFXSTJ-SFYZADRCSA-N -1 0 283.259 2.299 20 5 CEBDRM Cc1ccncc1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000545242820 298333122 /nfs/dbraw/zinc/33/31/22/298333122.db2.gz VTNMWSZMJFGYQC-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM CCC[C@](C)(O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565719384 298919760 /nfs/dbraw/zinc/91/97/60/298919760.db2.gz WFMQYHOAUYHSSN-AWEZNQCLSA-N -1 0 296.323 2.185 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000118529759 300655356 /nfs/dbraw/zinc/65/53/56/300655356.db2.gz YBNFRTNYBXSDDC-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000194742403 302362983 /nfs/dbraw/zinc/36/29/83/302362983.db2.gz RUVHTCZBWSNYDO-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM COCC[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000518540225 313115758 /nfs/dbraw/zinc/11/57/58/313115758.db2.gz CIBWSZDXCLZSQP-VIFPVBQESA-N -1 0 282.296 2.438 20 5 CEBDRM C[C@@H](O)C[C@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000519826231 313119775 /nfs/dbraw/zinc/11/97/75/313119775.db2.gz RJECYVUBYYTVIH-VHSXEESVSA-N -1 0 296.323 2.041 20 5 CEBDRM C[C@H](C[C@@H]1CCCO1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563208026 313722765 /nfs/dbraw/zinc/72/27/65/313722765.db2.gz UGQXEUBNVRZENJ-BDAKNGLRSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000567051918 313882904 /nfs/dbraw/zinc/88/29/04/313882904.db2.gz FAIFJLFWAKGMQJ-AYMMMOKOSA-N -1 0 295.295 2.056 20 5 CEBDRM C[C@H]1CC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000567051920 313883036 /nfs/dbraw/zinc/88/30/36/313883036.db2.gz FAIFJLFWAKGMQJ-YUMQZZPRSA-N -1 0 295.295 2.056 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000568397838 313951519 /nfs/dbraw/zinc/95/15/19/313951519.db2.gz CVAQTKNYHALQKF-RNFRBKRXSA-N -1 0 284.699 2.434 20 5 CEBDRM CC[C@@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](C)O ZINC000569852010 314018593 /nfs/dbraw/zinc/01/85/93/314018593.db2.gz OOEHQTNKVGFNRA-GZMMTYOYSA-N -1 0 282.296 2.173 20 5 CEBDRM O=C([O-])c1cc(N2CCC[C@H]2CF)ccc1[N+](=O)[O-] ZINC000573004095 314135219 /nfs/dbraw/zinc/13/52/19/314135219.db2.gz MZMDZWZYXYLVHQ-VIFPVBQESA-N -1 0 268.244 2.231 20 5 CEBDRM Cc1cc(NC[C@H](C)C[C@@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578195518 314454583 /nfs/dbraw/zinc/45/45/83/314454583.db2.gz ATSOVLVUAAKTEO-PSASIEDQSA-N -1 0 296.323 2.420 20 5 CEBDRM CC[C@@](C)(CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC ZINC000578631298 314500247 /nfs/dbraw/zinc/50/02/47/314500247.db2.gz ZPWUIWOPHSWRNB-AWEZNQCLSA-N -1 0 296.323 2.449 20 5 CEBDRM O=C([O-])c1cnc(N[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000579235881 314564027 /nfs/dbraw/zinc/56/40/27/314564027.db2.gz MGNITUXUPOUQIQ-JEZHCXPESA-N -1 0 277.280 2.289 20 5 CEBDRM C[C@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000379470843 321825969 /nfs/dbraw/zinc/82/59/69/321825969.db2.gz QELCFFAQSLNZHM-QMMMGPOBSA-N -1 0 297.336 2.020 20 5 CEBDRM CS[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000383235973 321846546 /nfs/dbraw/zinc/84/65/46/321846546.db2.gz RSZJNGOOGBOQOI-SECBINFHSA-N -1 0 282.321 2.235 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000580030862 321908634 /nfs/dbraw/zinc/90/86/34/321908634.db2.gz AXNPKSKIVMCNEQ-DLRQAJBASA-N -1 0 292.291 2.052 20 5 CEBDRM CC(C)CSCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000397197647 329344250 /nfs/dbraw/zinc/34/42/50/329344250.db2.gz SZOHRXATBUXYSF-UHFFFAOYSA-N -1 0 299.352 2.489 20 5 CEBDRM CC[C@]1(C)CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000399438579 329453165 /nfs/dbraw/zinc/45/31/65/329453165.db2.gz SHHQIMCBJLKNFU-CYBMUJFWSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160338641 533765519 /nfs/dbraw/zinc/76/55/19/533765519.db2.gz XAXWEUJQPIVUIO-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457348598 517532319 /nfs/dbraw/zinc/53/23/19/517532319.db2.gz VYUJUODBEJSWIZ-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000181975275 519577320 /nfs/dbraw/zinc/57/73/20/519577320.db2.gz CDXAOFVWYPLGSK-UHFFFAOYSA-N -1 0 264.281 2.313 20 5 CEBDRM CC[C@H]1CO[C@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042308381 536171272 /nfs/dbraw/zinc/17/12/72/536171272.db2.gz GECQEPCCRGHPKC-ZJUUUORDSA-N -1 0 294.307 2.297 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NC1CCN(C(=O)[O-])CC1 ZINC000738310718 574430717 /nfs/dbraw/zinc/43/07/17/574430717.db2.gz NWCDBDCSWUXQNL-UHFFFAOYSA-N -1 0 279.296 2.458 20 5 CEBDRM O=C([O-])N1CCCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000740473470 574464848 /nfs/dbraw/zinc/46/48/48/574464848.db2.gz WIEFIAPKKWJDCQ-NSHDSACASA-N -1 0 293.279 2.066 20 5 CEBDRM CC(=O)c1ccc(NCCSCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000736192607 574777616 /nfs/dbraw/zinc/77/76/16/574777616.db2.gz TUYRUONKCFQYKI-UHFFFAOYSA-N -1 0 298.320 2.027 20 5 CEBDRM CC(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000738786779 574878581 /nfs/dbraw/zinc/87/85/81/574878581.db2.gz DANYKXFMLGFTKG-JTQLQIEISA-N -1 0 285.275 2.438 20 5 CEBDRM C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739194881 574899244 /nfs/dbraw/zinc/89/92/44/574899244.db2.gz QTTCZPOFBIZONP-IUCAKERBSA-N -1 0 297.286 2.311 20 5 CEBDRM CN(C[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1)C(=O)[O-] ZINC000739644019 574929596 /nfs/dbraw/zinc/92/95/96/574929596.db2.gz JBOFXNPUSBEKLQ-VIFPVBQESA-N -1 0 299.352 2.483 20 5 CEBDRM O=C([O-])CCSCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000739752747 574932830 /nfs/dbraw/zinc/93/28/30/574932830.db2.gz WCRCVBFCTIEGPN-UHFFFAOYSA-N -1 0 288.300 2.354 20 5 CEBDRM O=C([O-])CCc1ccc(Nc2ccncc2[N+](=O)[O-])cc1 ZINC000739766586 574932936 /nfs/dbraw/zinc/93/29/36/574932936.db2.gz MXDBQGGOBWGRSY-UHFFFAOYSA-N -1 0 287.275 2.173 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000833186380 600873407 /nfs/dbraw/zinc/87/34/07/600873407.db2.gz DYNSDNNSGINNBI-NXEZZACHSA-N -1 0 293.275 2.391 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NCC(F)F)c([N+](=O)[O-])c1 ZINC000833197096 601378673 /nfs/dbraw/zinc/37/86/73/601378673.db2.gz JGMAADYVFXMAAC-DUXPYHPUSA-N -1 0 272.207 2.370 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000828634305 601466343 /nfs/dbraw/zinc/46/63/43/601466343.db2.gz LHMWDLCXFVCOEY-CYBMUJFWSA-N -1 0 298.270 2.107 20 5 CEBDRM Cn1cc(Nc2ncc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000833052560 602134287 /nfs/dbraw/zinc/13/42/87/602134287.db2.gz AGWDWKCBNNQLAU-UHFFFAOYSA-N -1 0 296.670 2.424 20 5 CEBDRM Cc1ccc([C@H](C)NC(=O)[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000832920858 602190173 /nfs/dbraw/zinc/19/01/73/602190173.db2.gz IHAFIWQQBTXKSA-UWVGGRQHSA-N -1 0 294.307 2.191 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832957752 602292727 /nfs/dbraw/zinc/29/27/27/602292727.db2.gz JFRKDFBTGCFUOR-MRVPVSSYSA-N -1 0 280.280 2.261 20 5 CEBDRM Cc1cc(NCC(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896351 602320906 /nfs/dbraw/zinc/32/09/06/602320906.db2.gz GRXVBLBPAMAQHB-UHFFFAOYSA-N -1 0 260.196 2.278 20 5 CEBDRM CCC[C@@H](NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000739327463 602670607 /nfs/dbraw/zinc/67/06/07/602670607.db2.gz FFTJCVDKCDOZFO-LLVKDONJSA-N -1 0 296.279 2.074 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)[O-] ZINC000739196942 603404925 /nfs/dbraw/zinc/40/49/25/603404925.db2.gz WTDPZTUXJBCZRS-KCJUWKMLSA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1cc(NC[C@H](NC(=O)[O-])C(C)C)ncc1[N+](=O)[O-] ZINC000830123367 603890405 /nfs/dbraw/zinc/89/04/05/603890405.db2.gz UXSJXBCQXXCNSO-VIFPVBQESA-N -1 0 282.300 2.002 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)[C@@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000830257133 603965160 /nfs/dbraw/zinc/96/51/60/603965160.db2.gz RWYPGGYBJPCKBP-BDAKNGLRSA-N -1 0 296.279 2.164 20 5 CEBDRM C[C@@H](CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824721403 603979241 /nfs/dbraw/zinc/97/92/41/603979241.db2.gz SHGBTUHZQRNUHC-IUCAKERBSA-N -1 0 296.279 2.245 20 5 CEBDRM CCOc1cc(NCC[C@@H](C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000827417613 604218509 /nfs/dbraw/zinc/21/85/09/604218509.db2.gz BIKVFEWLCVKKFV-SECBINFHSA-N -1 0 297.311 2.452 20 5 CEBDRM Cc1nc(N[C@@H]2CCC[C@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830775573 604442693 /nfs/dbraw/zinc/44/26/93/604442693.db2.gz QDYNVZOPIYWOBH-VHSXEESVSA-N -1 0 294.311 2.146 20 5 CEBDRM Cc1nc(N[C@@H]2CCC[C@@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830775563 604442787 /nfs/dbraw/zinc/44/27/87/604442787.db2.gz QDYNVZOPIYWOBH-NXEZZACHSA-N -1 0 294.311 2.146 20 5 CEBDRM CC(C)(CO)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000826616573 604815005 /nfs/dbraw/zinc/81/50/05/604815005.db2.gz NQFOYHYFPQKLDN-GQCTYLIASA-N -1 0 294.307 2.123 20 5 CEBDRM O=C([O-])C1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111471766 605146001 /nfs/dbraw/zinc/14/60/01/605146001.db2.gz QCDBFOQZPUKPCS-UHFFFAOYSA-N -1 0 292.291 2.424 20 5 CEBDRM CC(C)C1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000833471296 605164565 /nfs/dbraw/zinc/16/45/65/605164565.db2.gz KBYHOTVDNZIPRH-UHFFFAOYSA-N -1 0 292.291 2.021 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cccc(C)c2[N+](=O)[O-])O1 ZINC000833579744 605238254 /nfs/dbraw/zinc/23/82/54/605238254.db2.gz OTKSPDBPYRHBRW-JTQLQIEISA-N -1 0 293.275 2.430 20 5 CEBDRM O=C([O-])N1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000214048650 605377780 /nfs/dbraw/zinc/37/77/80/605377780.db2.gz UHKJGOKCTZEIAU-SECBINFHSA-N -1 0 265.269 2.007 20 5 CEBDRM Cc1nn(Cc2cccc(NC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000833920613 605733023 /nfs/dbraw/zinc/73/30/23/605733023.db2.gz LZAGAIZSHHICRE-UHFFFAOYSA-N -1 0 276.252 2.238 20 5 CEBDRM O=C([O-])N[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000834150441 605923701 /nfs/dbraw/zinc/92/37/01/605923701.db2.gz MPZYXBVAMFTWEY-JTQLQIEISA-N -1 0 283.259 2.192 20 5 CEBDRM CC(C)CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000797428358 630233130 /nfs/dbraw/zinc/23/31/30/630233130.db2.gz NCXNLGHSPGTTNQ-UHFFFAOYSA-N -1 0 295.295 2.413 20 5 CEBDRM C[C@@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCCO1 ZINC000896179877 630492510 /nfs/dbraw/zinc/49/25/10/630492510.db2.gz ADHVPQUBZSCHJK-LBPRGKRZSA-N -1 0 267.285 2.067 20 5 CEBDRM CC(C)c1nc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)co1 ZINC000802969785 631493167 /nfs/dbraw/zinc/49/31/67/631493167.db2.gz NEVMQNPADHKCLF-UHFFFAOYSA-N -1 0 279.252 2.391 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)nc2)[nH]1 ZINC000806562224 631753613 /nfs/dbraw/zinc/75/36/13/631753613.db2.gz FQMIDJJGGRLLFJ-HNQUOIGGSA-N -1 0 294.654 2.015 20 5 CEBDRM CC[C@H]1CO[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042308385 633387330 /nfs/dbraw/zinc/38/73/30/633387330.db2.gz GECQEPCCRGHPKC-UWVGGRQHSA-N -1 0 294.307 2.297 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC12CC2 ZINC000817233143 633601973 /nfs/dbraw/zinc/60/19/73/633601973.db2.gz RPNSPIPQDSEXOL-JTQLQIEISA-N -1 0 263.249 2.144 20 5 CEBDRM O=C([O-])CCC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000900961376 633908278 /nfs/dbraw/zinc/90/82/78/633908278.db2.gz DKRZWNIETFECMW-UHFFFAOYSA-N -1 0 297.286 2.210 20 5 CEBDRM Cc1sc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000823338569 635143084 /nfs/dbraw/zinc/14/30/84/635143084.db2.gz RNZVZVZYNBVPBF-LBPRGKRZSA-N -1 0 298.320 2.044 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@H](C)C2CC2)n1 ZINC000910339383 638005562 /nfs/dbraw/zinc/00/55/62/638005562.db2.gz ASUKBIUMYYUMNR-MRVPVSSYSA-N -1 0 279.296 2.231 20 5 CEBDRM O=C(/C=C/C1CC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837551046 639278341 /nfs/dbraw/zinc/27/83/41/639278341.db2.gz UCPFYLGRRBJXHN-ZZXKWVIFSA-N -1 0 263.249 2.310 20 5 CEBDRM COCC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837597241 639301981 /nfs/dbraw/zinc/30/19/81/639301981.db2.gz SEBNPILXGVTKQD-UHFFFAOYSA-N -1 0 283.280 2.016 20 5 CEBDRM CC[C@@H](C)[C@H](OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837696757 639347231 /nfs/dbraw/zinc/34/72/31/639347231.db2.gz QNZAEVUICAOKQY-RNCFNFMXSA-N -1 0 297.307 2.405 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000844218019 640634584 /nfs/dbraw/zinc/63/45/84/640634584.db2.gz KTSXZKRNLXWDES-GZMMTYOYSA-N -1 0 292.291 2.097 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSCCC1(O)CC1 ZINC000844646598 640794261 /nfs/dbraw/zinc/79/42/61/640794261.db2.gz VYQANYRSYXVITH-UHFFFAOYSA-N -1 0 269.322 2.449 20 5 CEBDRM C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000920035969 641107572 /nfs/dbraw/zinc/10/75/72/641107572.db2.gz YCOGKMUAKJJARY-MRVPVSSYSA-N -1 0 292.291 2.069 20 5 CEBDRM CC[C@@H](C)CON=c1[n-]ccc(C(=O)OC)c1[N+](=O)[O-] ZINC000856760024 644712175 /nfs/dbraw/zinc/71/21/75/644712175.db2.gz FEEUQNLAZLATBB-MRVPVSSYSA-N -1 0 283.284 2.166 20 5 CEBDRM O=C(O[C@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000761262934 645262533 /nfs/dbraw/zinc/26/25/33/645262533.db2.gz LRYDEKHHRDALDH-MRVPVSSYSA-N -1 0 278.186 2.421 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC000863480669 646738494 /nfs/dbraw/zinc/73/84/94/646738494.db2.gz SHZYZQPPDYSHCQ-SNVBAGLBSA-N -1 0 277.280 2.192 20 5 CEBDRM C[C@H](Cc1ccco1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780361365 647421154 /nfs/dbraw/zinc/42/11/54/647421154.db2.gz HUYCWTPSATVZLO-SECBINFHSA-N -1 0 290.275 2.254 20 5 CEBDRM O=C(NOCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788273885 648167789 /nfs/dbraw/zinc/16/77/89/648167789.db2.gz IUDMFPAAZXQXJW-UHFFFAOYSA-N -1 0 288.259 2.162 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(F)(F)CC1 ZINC000794301255 648851443 /nfs/dbraw/zinc/85/14/43/648851443.db2.gz ZOBJDJYABBWOBH-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC000871867656 649203327 /nfs/dbraw/zinc/20/33/27/649203327.db2.gz JDJHLDHBOSPHTC-SMDDNHRTSA-N -1 0 291.307 2.132 20 5 CEBDRM C[C@@H]1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000132960820 652575275 /nfs/dbraw/zinc/57/52/75/652575275.db2.gz QNRMRMDLTSWJQQ-APPZFPTMSA-N -1 0 265.269 2.289 20 5 CEBDRM CCC[C@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380911 806478222 /nfs/dbraw/zinc/47/82/22/806478222.db2.gz NESXQSRXEWZTAT-QMMMGPOBSA-N -1 0 255.274 2.356 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c1 ZINC000721243151 807019358 /nfs/dbraw/zinc/01/93/58/807019358.db2.gz MXERVPUYLHAQNL-CWSCBRNRSA-N -1 0 276.292 2.060 20 5 CEBDRM Cc1cccc(N[C@H]2C[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000693380122 814620153 /nfs/dbraw/zinc/62/01/53/814620153.db2.gz VUOKBYWDOQNCFT-DTORHVGOSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])c1ccc(Nc2nccnc2Cl)cc1[N+](=O)[O-] ZINC001174502419 816028801 /nfs/dbraw/zinc/02/88/01/816028801.db2.gz NUOVHGMUPMOORJ-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=C([O-])c1ccc(Nc2nccs2)cc1[N+](=O)[O-] ZINC001174502184 816029120 /nfs/dbraw/zinc/02/91/20/816029120.db2.gz HSZZMYJFLHQLAH-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM Cc1nccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176673216 816454084 /nfs/dbraw/zinc/45/40/84/816454084.db2.gz UOTFYOCCMSHIQI-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM O=C([O-])c1cc(Nc2ccn3cnnc3c2)cc([N+](=O)[O-])c1 ZINC001176673287 816454090 /nfs/dbraw/zinc/45/40/90/816454090.db2.gz VVHMDTFOTNCJFN-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC001179378109 816859477 /nfs/dbraw/zinc/85/94/77/816859477.db2.gz PJSWSCCBCXUTRC-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM CCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])co1 ZINC000357647486 529710861 /nfs/dbraw/zinc/71/08/61/529710861.db2.gz COQLTDMUTSLRGG-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM O=C([O-])CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000043474260 343464177 /nfs/dbraw/zinc/46/41/77/343464177.db2.gz PDHBXJQUGBZYFT-UHFFFAOYSA-N -1 0 256.233 2.401 20 5 CEBDRM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000567980799 299104004 /nfs/dbraw/zinc/10/40/04/299104004.db2.gz NGQLOMGVTHXYID-MWLCHTKSSA-N -1 0 294.307 2.297 20 5 CEBDRM Cc1cc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111253622 344270821 /nfs/dbraw/zinc/27/08/21/344270821.db2.gz YRRPYSAAARHOSE-MWLCHTKSSA-N -1 0 264.281 2.060 20 5 CEBDRM COc1cccc(NC[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000134886958 344378444 /nfs/dbraw/zinc/37/84/44/344378444.db2.gz WGHRWKAEXOABBP-SECBINFHSA-N -1 0 282.296 2.372 20 5 CEBDRM O=C([O-])C1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000138548870 344390335 /nfs/dbraw/zinc/39/03/35/344390335.db2.gz ZSGNLWXRNALXMO-UHFFFAOYSA-N -1 0 250.254 2.262 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NC[C@H](C)CC(=O)[O-] ZINC000158632752 344452023 /nfs/dbraw/zinc/45/20/23/344452023.db2.gz SANHXMVOXJDYBV-MRVPVSSYSA-N -1 0 252.270 2.426 20 5 CEBDRM CC1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000232832180 344579184 /nfs/dbraw/zinc/57/91/84/344579184.db2.gz IGQFFIXETSOJKD-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM CC1(C)C[C@@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000232976877 344580396 /nfs/dbraw/zinc/58/03/96/344580396.db2.gz OMJQMKGQBXMRGT-SSDOTTSWSA-N -1 0 265.269 2.146 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000312478757 344738862 /nfs/dbraw/zinc/73/88/62/344738862.db2.gz AATCYUUOWMHPKK-SSDOTTSWSA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[C@@H]2C)n1 ZINC000584722109 344979996 /nfs/dbraw/zinc/97/99/96/344979996.db2.gz HRDBXOQIJDUXBH-IMTBSYHQSA-N -1 0 265.269 2.207 20 5 CEBDRM O=C(NC/C=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590396861 345132895 /nfs/dbraw/zinc/13/28/95/345132895.db2.gz FVQKLZVHICSOQZ-DUXPYHPUSA-N -1 0 299.286 2.139 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2sccc2[N+](=O)[O-])C1 ZINC000591561671 345264687 /nfs/dbraw/zinc/26/46/87/345264687.db2.gz XKXZRWBJZGOTPH-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000592970136 345417069 /nfs/dbraw/zinc/41/70/69/345417069.db2.gz KATRJZGBRXOMJI-NSHDSACASA-N -1 0 294.307 2.060 20 5 CEBDRM CC[C@@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000592972540 345417295 /nfs/dbraw/zinc/41/72/95/345417295.db2.gz WWYUZEVOKJQGNZ-DTWKUNHWSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])s1 ZINC000592981102 345418389 /nfs/dbraw/zinc/41/83/89/345418389.db2.gz XUZQDIXXXJUBKB-SSDOTTSWSA-N -1 0 256.283 2.100 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000592980902 345418536 /nfs/dbraw/zinc/41/85/36/345418536.db2.gz HUVNDQNEDRHJLH-LLVKDONJSA-N -1 0 270.310 2.347 20 5 CEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092138 345436987 /nfs/dbraw/zinc/43/69/87/345436987.db2.gz NCXVARZGWPGTDL-NSHDSACASA-N -1 0 292.335 2.444 20 5 CEBDRM COC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000592784037 345396591 /nfs/dbraw/zinc/39/65/91/345396591.db2.gz XKXILLNLBHETMW-UHFFFAOYSA-N -1 0 286.671 2.071 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC=CCC1 ZINC000592787310 345396764 /nfs/dbraw/zinc/39/67/64/345396764.db2.gz LQJHLNMRFTYXRM-UHFFFAOYSA-N -1 0 282.683 2.356 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593325787 345466549 /nfs/dbraw/zinc/46/65/49/345466549.db2.gz WZHPEFWZDGLFIW-CYBMUJFWSA-N -1 0 287.275 2.196 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000593884420 345548400 /nfs/dbraw/zinc/54/84/00/345548400.db2.gz YOIBWAURWJEJOW-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593886683 345548475 /nfs/dbraw/zinc/54/84/75/345548475.db2.gz MZDJTUKFASRIIO-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@]1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1(F)F ZINC000594736037 345681713 /nfs/dbraw/zinc/68/17/13/345681713.db2.gz NZFPHOYTYGABTN-SNVBAGLBSA-N -1 0 287.222 2.145 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@H](CCF)C2)c1[N+](=O)[O-] ZINC000594735219 345682226 /nfs/dbraw/zinc/68/22/26/345682226.db2.gz IGZVGKLKMIAHRM-SECBINFHSA-N -1 0 297.286 2.264 20 5 CEBDRM O=C([O-])c1cc(N2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000595277888 345753217 /nfs/dbraw/zinc/75/32/17/345753217.db2.gz QEAJJHUQQMQIOA-IUCAKERBSA-N -1 0 262.265 2.139 20 5 CEBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1C ZINC000180774238 232398614 /nfs/dbraw/zinc/39/86/14/232398614.db2.gz OAHLGHZIGVGNMJ-UHFFFAOYSA-N -1 0 275.264 2.200 20 5 CEBDRM CC(C)(F)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598200153 346304346 /nfs/dbraw/zinc/30/43/46/346304346.db2.gz ZKVJMLORJJPYHJ-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM CC1CC(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000598734905 346411834 /nfs/dbraw/zinc/41/18/34/346411834.db2.gz KBPYDFDBRJVIPK-UHFFFAOYSA-N -1 0 265.269 2.146 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000062843671 362724535 /nfs/dbraw/zinc/72/45/35/362724535.db2.gz PLLVMYNBHWZJTD-UHFFFAOYSA-N -1 0 264.281 2.286 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000598910543 346433300 /nfs/dbraw/zinc/43/33/00/346433300.db2.gz UTYATCDHICEYAF-ZETCQYMHSA-N -1 0 286.234 2.076 20 5 CEBDRM CCC[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OCC ZINC000600174222 346614654 /nfs/dbraw/zinc/61/46/54/346614654.db2.gz IVRZZWRWVATGQE-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM CCOc1cc(N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000111044595 136560491 /nfs/dbraw/zinc/56/04/91/136560491.db2.gz LAZOHMNOKMVJHL-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM COC[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000086702786 179321287 /nfs/dbraw/zinc/32/12/87/179321287.db2.gz CDQVSPBZKNIUDI-LLVKDONJSA-N -1 0 282.296 2.376 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108655517 186225823 /nfs/dbraw/zinc/22/58/23/186225823.db2.gz WZQKDSXKQVPBSE-VHSXEESVSA-N -1 0 292.291 2.424 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000074362395 363330674 /nfs/dbraw/zinc/33/06/74/363330674.db2.gz QEBLHDUXTIFEGX-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)F ZINC000452246632 283229755 /nfs/dbraw/zinc/22/97/55/283229755.db2.gz ONACQZGTQBMIKV-VIFPVBQESA-N -1 0 274.223 2.074 20 5 CEBDRM CC[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C(F)F ZINC000452663531 283348530 /nfs/dbraw/zinc/34/85/30/283348530.db2.gz CMANBCFEVRKVTQ-ZETCQYMHSA-N -1 0 274.223 2.074 20 5 CEBDRM CCOC(=O)C[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085437 366646900 /nfs/dbraw/zinc/64/69/00/366646900.db2.gz WNKIULBUPAHVPN-SNVBAGLBSA-N -1 0 296.323 2.074 20 5 CEBDRM O=C([O-])Cc1ccc(NCC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000571644885 299320364 /nfs/dbraw/zinc/32/03/64/299320364.db2.gz HZXSYGHVVFOWFZ-JTQLQIEISA-N -1 0 294.307 2.060 20 5 CEBDRM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000571689611 299324216 /nfs/dbraw/zinc/32/42/16/299324216.db2.gz XTHVBTRKKTZPMH-LBPRGKRZSA-N -1 0 294.307 2.438 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028973070 361680018 /nfs/dbraw/zinc/68/00/18/361680018.db2.gz BOCKXHIRECHRNP-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(CCC1CCOCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092549927 364080379 /nfs/dbraw/zinc/08/03/79/364080379.db2.gz VJVMNKGAJIRHGV-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM CC[C@](C)(NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000094224274 364260415 /nfs/dbraw/zinc/26/04/15/364260415.db2.gz ZYAXGVKSNHATHH-ZDUSSCGKSA-N -1 0 295.295 2.278 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000094659040 364287368 /nfs/dbraw/zinc/28/73/68/364287368.db2.gz HABLOWBIESUCIQ-SECBINFHSA-N -1 0 252.270 2.060 20 5 CEBDRM C[C@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCO1 ZINC000094803942 364299003 /nfs/dbraw/zinc/29/90/03/364299003.db2.gz RCMHVHIZGWAEHG-CYBMUJFWSA-N -1 0 280.280 2.274 20 5 CEBDRM CCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119474722 365278363 /nfs/dbraw/zinc/27/83/63/365278363.db2.gz PIRFIFLBRBWCIJ-UHFFFAOYSA-N -1 0 292.744 2.327 20 5 CEBDRM COCc1n[n-]c(=N[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000341006260 367126751 /nfs/dbraw/zinc/12/67/51/367126751.db2.gz YNFPYWGELHEJTM-MRVPVSSYSA-N -1 0 294.336 2.188 20 5 CEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000162435290 367160163 /nfs/dbraw/zinc/16/01/63/367160163.db2.gz YDKOGHFYQANLDS-HTQZYQBOSA-N -1 0 297.336 2.018 20 5 CEBDRM CCC(CC)(CNC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000164978216 367299742 /nfs/dbraw/zinc/29/97/42/367299742.db2.gz DMCSGROGCWSOMH-UHFFFAOYSA-N -1 0 294.307 2.216 20 5 CEBDRM C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237509595 296104801 /nfs/dbraw/zinc/10/48/01/296104801.db2.gz UUAPQBPGPIWIAC-MRVPVSSYSA-N -1 0 294.307 2.095 20 5 CEBDRM CO[C@@H]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000343878012 368055571 /nfs/dbraw/zinc/05/55/71/368055571.db2.gz OPUIBYQUWJGIAX-GXSJLCMTSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)c[nH]1 ZINC000343880965 368056519 /nfs/dbraw/zinc/05/65/19/368056519.db2.gz RTGJYOKHOPCHOI-UHFFFAOYSA-N -1 0 265.200 2.020 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3C[C@@H]3C(F)F)[n-]2)cc1 ZINC000343809288 368016584 /nfs/dbraw/zinc/01/65/84/368016584.db2.gz NPKNEKGENBVABY-IUCAKERBSA-N -1 0 296.233 2.132 20 5 CEBDRM CC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCC1 ZINC000176216090 368213381 /nfs/dbraw/zinc/21/33/81/368213381.db2.gz MVQZALSZHAACJZ-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C(Nc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181795845 368495480 /nfs/dbraw/zinc/49/54/80/368495480.db2.gz MJJYPSPCWNWLFD-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCS1 ZINC000182102699 368524732 /nfs/dbraw/zinc/52/47/32/368524732.db2.gz WXBNSVTXTADWJE-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM COCCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000184157909 368675962 /nfs/dbraw/zinc/67/59/62/368675962.db2.gz AQLJKUXPERHCGO-UHFFFAOYSA-N -1 0 282.296 2.302 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000192793056 369854490 /nfs/dbraw/zinc/85/44/90/369854490.db2.gz VEYOIHURDXSPLL-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCOC2)c1 ZINC000211893682 370164831 /nfs/dbraw/zinc/16/48/31/370164831.db2.gz IGIZNPHRUMPKCA-VIFPVBQESA-N -1 0 280.280 2.132 20 5 CEBDRM Cc1occc1CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234318073 370533152 /nfs/dbraw/zinc/53/31/52/370533152.db2.gz VATBONGEZCEGDR-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C(CCOCC1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356288954 370642375 /nfs/dbraw/zinc/64/23/75/370642375.db2.gz CVVBUWHHLRRSDB-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM COC(C)(C)C[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272511238 373525600 /nfs/dbraw/zinc/52/56/00/373525600.db2.gz JZPLLZHTYASBBI-VIFPVBQESA-N -1 0 296.323 2.234 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272600553 373571795 /nfs/dbraw/zinc/57/17/95/373571795.db2.gz QTEPDGSNZGMCRT-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM CC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000272706578 373624235 /nfs/dbraw/zinc/62/42/35/373624235.db2.gz WJDXWKYEKRKKLJ-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000379474817 375153018 /nfs/dbraw/zinc/15/30/18/375153018.db2.gz YNUHIVPGIBVDDG-QMMMGPOBSA-N -1 0 297.336 2.020 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CSC[C@@H]2C)n1 ZINC000573971881 299465792 /nfs/dbraw/zinc/46/57/92/299465792.db2.gz YBGQJOJGJZOKBH-IMTBSYHQSA-N -1 0 297.336 2.160 20 5 CEBDRM C[C@@H](CCCO)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000384508530 375212018 /nfs/dbraw/zinc/21/20/18/375212018.db2.gz SCONBGURSOKUQZ-VIFPVBQESA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@@H]1C ZINC000280761518 375312555 /nfs/dbraw/zinc/31/25/55/375312555.db2.gz BAZASWFUNOAPAL-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280844742 375341058 /nfs/dbraw/zinc/34/10/58/375341058.db2.gz VJEFUOUDCXPGRO-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000286610873 376012552 /nfs/dbraw/zinc/01/25/52/376012552.db2.gz VINSGFACUJJCHS-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM Cc1cnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000427908860 377465643 /nfs/dbraw/zinc/46/56/43/377465643.db2.gz OVDBRCURPGERQG-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000293455989 377574890 /nfs/dbraw/zinc/57/48/90/377574890.db2.gz KWURMCZCVUUZQY-GWCFXTLKSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000565367343 377651037 /nfs/dbraw/zinc/65/10/37/377651037.db2.gz LJKIQQDXJBZBAL-IRUJWGPZSA-N -1 0 292.291 2.272 20 5 CEBDRM Cc1cncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000432345060 377750014 /nfs/dbraw/zinc/75/00/14/377750014.db2.gz DNKSVHNECSJWPH-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000566291461 377752539 /nfs/dbraw/zinc/75/25/39/377752539.db2.gz RRGABHLJYCVMNE-RXMQYKEDSA-N -1 0 293.201 2.298 20 5 CEBDRM Cc1ccc(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000541681187 380277616 /nfs/dbraw/zinc/27/76/16/380277616.db2.gz VWADFXASOFVTCX-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM O=C(Nc1cccc(O)c1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552131618 380688031 /nfs/dbraw/zinc/68/80/31/380688031.db2.gz RPEXBZAIQCTXAP-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CCOc1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092922337 184635687 /nfs/dbraw/zinc/63/56/87/184635687.db2.gz QMBIJLGERVKYFT-ONGXEEELSA-N -1 0 294.307 2.293 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280863613 195006996 /nfs/dbraw/zinc/00/69/96/195006996.db2.gz DPLVWZYKMMNGJL-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280967834 195050580 /nfs/dbraw/zinc/05/05/80/195050580.db2.gz OARQMJGCWFAKAA-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM CCN(CC(=O)[O-])C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000190791841 130146820 /nfs/dbraw/zinc/14/68/20/130146820.db2.gz FKZMLQPGVRSXIZ-UHFFFAOYSA-N -1 0 294.307 2.067 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000191348140 130224176 /nfs/dbraw/zinc/22/41/76/130224176.db2.gz JCRUXJZJZZAEBT-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000308565042 394528190 /nfs/dbraw/zinc/52/81/90/394528190.db2.gz IMCFFLPEBPPPLR-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000416316684 395054303 /nfs/dbraw/zinc/05/43/03/395054303.db2.gz HOFBOJHYFYHQBY-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436561696 395127853 /nfs/dbraw/zinc/12/78/53/395127853.db2.gz IQOMQKQWSJDCFV-ONGXEEELSA-N -1 0 278.308 2.466 20 5 CEBDRM CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000436671270 395143127 /nfs/dbraw/zinc/14/31/27/395143127.db2.gz VDURCVSHVGZFHR-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968174 395168527 /nfs/dbraw/zinc/16/85/27/395168527.db2.gz STSNILJHIFKZDB-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM CO[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000572964332 395596143 /nfs/dbraw/zinc/59/61/43/395596143.db2.gz GYGIUZSMXBTYHI-ZANVPECISA-N -1 0 294.307 2.154 20 5 CEBDRM CC[C@H](C)[C@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000573688996 395615279 /nfs/dbraw/zinc/61/52/79/395615279.db2.gz ZDTKDTDIHOLJMM-QPUJVOFHSA-N -1 0 282.296 2.112 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000458253990 395640000 /nfs/dbraw/zinc/64/00/00/395640000.db2.gz IRFCDWOKSDUYDY-JFUSQASVSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(N[C@H]2CCOC[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574991718 395643055 /nfs/dbraw/zinc/64/30/55/395643055.db2.gz GCHHFWJUYFSUGC-ONGXEEELSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000181784264 400289765 /nfs/dbraw/zinc/28/97/65/400289765.db2.gz MLPSBDKJPZGZST-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)(C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316613 153296781 /nfs/dbraw/zinc/29/67/81/153296781.db2.gz GBCHXGZJZGUECP-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000261636294 153794109 /nfs/dbraw/zinc/79/41/09/153794109.db2.gz IFGVRCIJPDYSFU-UHFFFAOYSA-N -1 0 292.291 2.487 20 5 CEBDRM Cc1nc(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s[n-]1 ZINC000362135613 155769123 /nfs/dbraw/zinc/76/91/23/155769123.db2.gz SMICDYBIFOQWQR-UHFFFAOYSA-N -1 0 298.711 2.082 20 5 CEBDRM CCc1nn(C)c(NCC(CC)(CC)C(=O)[O-])c1[N+](=O)[O-] ZINC000165050234 162341604 /nfs/dbraw/zinc/34/16/04/162341604.db2.gz NSEDFVLCSHRVKL-UHFFFAOYSA-N -1 0 298.343 2.194 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165133975 162341735 /nfs/dbraw/zinc/34/17/35/162341735.db2.gz NGGCGNOHWPPCKR-QMMMGPOBSA-N -1 0 298.270 2.059 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000035407119 172177625 /nfs/dbraw/zinc/17/76/25/172177625.db2.gz GNNZHSCTSYGJKE-ZETCQYMHSA-N -1 0 261.237 2.028 20 5 CEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000035407410 172178305 /nfs/dbraw/zinc/17/83/05/172178305.db2.gz HKFBCYHSRLDHSC-NSHDSACASA-N -1 0 293.279 2.066 20 5 CEBDRM CC(C)C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C(=O)[O-] ZINC000043441749 175045638 /nfs/dbraw/zinc/04/56/38/175045638.db2.gz XDDARMBTUCLRIN-MRVPVSSYSA-N -1 0 294.267 2.042 20 5 CEBDRM CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747688 175243162 /nfs/dbraw/zinc/24/31/62/175243162.db2.gz HZDSYWKHGXWVJV-GFCCVEGCSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000356053154 228101575 /nfs/dbraw/zinc/10/15/75/228101575.db2.gz BVUNHAZNZDKDGJ-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(C)(CO)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000395134383 270345538 /nfs/dbraw/zinc/34/55/38/270345538.db2.gz CCZCTIHFKQCLKD-UHFFFAOYSA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000226167001 270309346 /nfs/dbraw/zinc/30/93/46/270309346.db2.gz NCZSGGQQWJVDOK-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262105604 278247136 /nfs/dbraw/zinc/24/71/36/278247136.db2.gz JQGSQJZPSXTKRX-NSHDSACASA-N -1 0 292.291 2.098 20 5 CEBDRM CC(C)C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000094701869 278988629 /nfs/dbraw/zinc/98/86/29/278988629.db2.gz GNOCWENVUOCXHX-JTQLQIEISA-N -1 0 294.307 2.072 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000287080887 281115563 /nfs/dbraw/zinc/11/55/63/281115563.db2.gz KMQFPSWOFCQHKW-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1[O-] ZINC000458266909 289906039 /nfs/dbraw/zinc/90/60/39/289906039.db2.gz XEJTUIDFVDCIRM-MIMYLULJSA-N -1 0 276.292 2.219 20 5 CEBDRM O=c1[n-]c(Sc2c3ccccc3ncc2[N+](=O)[O-])n[nH]1 ZINC000487735476 290361005 /nfs/dbraw/zinc/36/10/05/290361005.db2.gz CHXVLGVEROSSNY-UHFFFAOYSA-N -1 0 289.276 2.118 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000263155828 297216345 /nfs/dbraw/zinc/21/63/45/297216345.db2.gz HWAIUXJZYYEPRU-RKDXNWHRSA-N -1 0 282.271 2.281 20 5 CEBDRM CCC(CC)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166635891 297465493 /nfs/dbraw/zinc/46/54/93/297465493.db2.gz GLNQBQOZOQMKNU-UHFFFAOYSA-N -1 0 253.258 2.289 20 5 CEBDRM CC(C)SCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538871125 298240653 /nfs/dbraw/zinc/24/06/53/298240653.db2.gz OLFBEVVPPJAEAE-UHFFFAOYSA-N -1 0 270.310 2.381 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000565400051 298900653 /nfs/dbraw/zinc/90/06/53/298900653.db2.gz OOFWGIMQXRJXIC-OTDNITJGSA-N -1 0 293.279 2.136 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000514733235 313054423 /nfs/dbraw/zinc/05/44/23/313054423.db2.gz QYWOSTMMPLGLOG-HOMQSWHASA-N -1 0 294.307 2.033 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2cccc([N+](=O)[O-])c2)ncn1 ZINC000532803490 313358785 /nfs/dbraw/zinc/35/87/85/313358785.db2.gz WWCLBQGBLWXKSM-PLNGDYQASA-N -1 0 271.232 2.253 20 5 CEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nccs1 ZINC000543738133 313464084 /nfs/dbraw/zinc/46/40/84/313464084.db2.gz OMDZJSKWXITGFI-UHFFFAOYSA-N -1 0 279.277 2.034 20 5 CEBDRM CC[C@H](C)[C@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564572252 313768376 /nfs/dbraw/zinc/76/83/76/313768376.db2.gz OJHUAIDVDYYEHB-QPUJVOFHSA-N -1 0 296.323 2.420 20 5 CEBDRM C[C@@H]1[C@@H](C)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000568397837 313951112 /nfs/dbraw/zinc/95/11/12/313951112.db2.gz CVAQTKNYHALQKF-NKWVEPMBSA-N -1 0 284.699 2.434 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(C)CC2)n1 ZINC000576468900 314279192 /nfs/dbraw/zinc/27/91/92/314279192.db2.gz KYPZRDJJIDVKIX-UHFFFAOYSA-N -1 0 279.296 2.233 20 5 CEBDRM Cc1cc(NC[C@H](C)C[C@@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578656248 314504120 /nfs/dbraw/zinc/50/41/20/314504120.db2.gz NJXHZECBYHJTHC-PSASIEDQSA-N -1 0 296.323 2.420 20 5 CEBDRM CCC1(O)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000579112552 314550767 /nfs/dbraw/zinc/55/07/67/314550767.db2.gz DYZDBVBBPASSIP-UHFFFAOYSA-N -1 0 294.307 2.034 20 5 CEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(F)F ZINC000389565704 321891502 /nfs/dbraw/zinc/89/15/02/321891502.db2.gz VJAUPHPVWWIEIS-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM O=C([O-])CCCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580445219 322318549 /nfs/dbraw/zinc/31/85/49/322318549.db2.gz OHMYXMCKCHAOEG-UHFFFAOYSA-N -1 0 279.296 2.145 20 5 CEBDRM CC[C@H](CCO)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000581073066 322367389 /nfs/dbraw/zinc/36/73/89/322367389.db2.gz AIULCFSIMJANCO-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM COCC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000211396812 326862897 /nfs/dbraw/zinc/86/28/97/326862897.db2.gz NTFKMBMKTPKPPK-UHFFFAOYSA-N -1 0 294.307 2.156 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184581443 525378352 /nfs/dbraw/zinc/37/83/52/525378352.db2.gz RTLQCGMVRKLWBQ-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(OCc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000729195596 574481647 /nfs/dbraw/zinc/48/16/47/574481647.db2.gz NBJUEFZFRCXACU-UHFFFAOYSA-N -1 0 281.655 2.328 20 5 CEBDRM O=C([O-])c1cc(-c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000738669253 574589641 /nfs/dbraw/zinc/58/96/41/574589641.db2.gz NDIBEFJYMIOUNQ-UHFFFAOYSA-N -1 0 275.220 2.220 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1C(=O)[O-] ZINC000739187549 574898743 /nfs/dbraw/zinc/89/87/43/574898743.db2.gz BJPQESJAANOTKL-DTORHVGOSA-N -1 0 297.286 2.311 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000739588781 574927838 /nfs/dbraw/zinc/92/78/38/574927838.db2.gz QXYXHKILQBWLNV-GFCCVEGCSA-N -1 0 293.323 2.169 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCC[C@H]1CCN(C(=O)[O-])C1 ZINC000740098846 574941973 /nfs/dbraw/zinc/94/19/73/574941973.db2.gz KNHJBOVRPFYVCS-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])N(CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000740489350 574956156 /nfs/dbraw/zinc/95/61/56/574956156.db2.gz YYDKYMXHVADLCT-UHFFFAOYSA-N -1 0 265.269 2.149 20 5 CEBDRM O=C([O-])N[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740595710 574960409 /nfs/dbraw/zinc/96/04/09/574960409.db2.gz HTMQIEDRENUTRF-JTQLQIEISA-N -1 0 299.714 2.090 20 5 CEBDRM O=C([O-])[C@@H]1CC12CCN(c1ccsc1[N+](=O)[O-])CC2 ZINC000405486070 600283517 /nfs/dbraw/zinc/28/35/17/600283517.db2.gz LVAMEEBPJNTGCC-QMMMGPOBSA-N -1 0 282.321 2.347 20 5 CEBDRM Cc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000738603966 600524121 /nfs/dbraw/zinc/52/41/21/600524121.db2.gz URXYNUAZCHLHDG-UHFFFAOYSA-N -1 0 290.275 2.484 20 5 CEBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000825775680 601407107 /nfs/dbraw/zinc/40/71/07/601407107.db2.gz YFFQULMCQNRZHG-DAXSKMNVSA-N -1 0 299.666 2.436 20 5 CEBDRM Cn1c2ccc([N+](=O)[O-])cc2nc1-c1c[nH]c(C(=O)[O-])c1 ZINC000833037161 601788764 /nfs/dbraw/zinc/78/87/64/601788764.db2.gz SVFNGXSDVWVGSH-UHFFFAOYSA-N -1 0 286.247 2.175 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000827274092 602196774 /nfs/dbraw/zinc/19/67/74/602196774.db2.gz VYOZTVZHBXJEDP-SECBINFHSA-N -1 0 294.307 2.057 20 5 CEBDRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000739327143 602332721 /nfs/dbraw/zinc/33/27/21/602332721.db2.gz XWRQPSKWQFCDMN-JTQLQIEISA-N -1 0 295.295 2.278 20 5 CEBDRM Cc1ccnc(NC[C@@H]2CCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740196814 602780287 /nfs/dbraw/zinc/78/02/87/602780287.db2.gz VFBLOFUCKTVSCC-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000832520962 603200357 /nfs/dbraw/zinc/20/03/57/603200357.db2.gz INGQHNWEBGKPOD-GXSJLCMTSA-N -1 0 294.311 2.228 20 5 CEBDRM Cc1cnc(NC[C@@H](NC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000830633820 603207372 /nfs/dbraw/zinc/20/73/72/603207372.db2.gz AQCQJQCAAHUCTR-SECBINFHSA-N -1 0 282.300 2.002 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000825279942 604055077 /nfs/dbraw/zinc/05/50/77/604055077.db2.gz DIAZHEBJNFIKCZ-WDEREUQCSA-N -1 0 293.323 2.467 20 5 CEBDRM CC(C)[C@@H](CCN(C)c1ncccc1[N+](=O)[O-])NC(=O)[O-] ZINC000824105112 604224373 /nfs/dbraw/zinc/22/43/73/604224373.db2.gz NZWNBTRJZDDBRC-SNVBAGLBSA-N -1 0 296.327 2.108 20 5 CEBDRM Cc1nc(NC[C@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830775846 604441535 /nfs/dbraw/zinc/44/15/35/604441535.db2.gz TUOBYJWVNYIANW-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM CN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000820568873 604539379 /nfs/dbraw/zinc/53/93/79/604539379.db2.gz FAFDSTILRBXMLC-UHFFFAOYSA-N -1 0 290.275 2.371 20 5 CEBDRM C[C@@H](CN(C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000042703919 604624828 /nfs/dbraw/zinc/62/48/28/604624828.db2.gz CCFXOUVNSQNQRY-ZETCQYMHSA-N -1 0 272.688 2.405 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cccc([N+](=O)[O-])c2C)O1 ZINC000833581039 604887859 /nfs/dbraw/zinc/88/78/59/604887859.db2.gz UDGFZKKDUKXSIK-JTQLQIEISA-N -1 0 293.275 2.430 20 5 CEBDRM C[C@H]1CCC[C@H](Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)C1 ZINC000833607728 605074488 /nfs/dbraw/zinc/07/44/88/605074488.db2.gz INIIHOHUPHOZOQ-UWVGGRQHSA-N -1 0 294.307 2.281 20 5 CEBDRM Cc1cc(F)cc(C(=O)OCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000820979835 605284763 /nfs/dbraw/zinc/28/47/63/605284763.db2.gz HMFQGEZVTYMOSW-UHFFFAOYSA-N -1 0 285.227 2.064 20 5 CEBDRM O=C([O-])NC1(CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000834156000 605362294 /nfs/dbraw/zinc/36/22/94/605362294.db2.gz TZDPNOOGPXJVOF-UHFFFAOYSA-N -1 0 265.269 2.197 20 5 CEBDRM CN(CCCNc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828305782 605478159 /nfs/dbraw/zinc/47/81/59/605478159.db2.gz LQZIKPJINPRJQV-UHFFFAOYSA-N -1 0 288.691 2.055 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@@H](C)NC(=O)[O-] ZINC000833907923 605541225 /nfs/dbraw/zinc/54/12/25/605541225.db2.gz XCHFSJFHPWNAIN-RKDXNWHRSA-N -1 0 296.279 2.164 20 5 CEBDRM O=C([O-])c1cnc(NCCC2CCC2)c([N+](=O)[O-])c1 ZINC000156798922 623479734 /nfs/dbraw/zinc/47/97/34/623479734.db2.gz XKXZZPOENUNMDU-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000219098699 624939913 /nfs/dbraw/zinc/93/99/13/624939913.db2.gz QYNRMCXUNUCMEO-AOOOYVTPSA-N -1 0 293.323 2.208 20 5 CEBDRM C[C@@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1C ZINC000312407143 628260836 /nfs/dbraw/zinc/26/08/36/628260836.db2.gz FLMYGIFBGBNHJS-RKDXNWHRSA-N -1 0 279.296 2.313 20 5 CEBDRM CSC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCC1 ZINC000799694095 631064317 /nfs/dbraw/zinc/06/43/17/631064317.db2.gz PMWOLICQDRMDKW-UHFFFAOYSA-N -1 0 270.310 2.365 20 5 CEBDRM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000927411964 635543278 /nfs/dbraw/zinc/54/32/78/635543278.db2.gz CREPXHWQSNFZLW-PWSUYJOCSA-N -1 0 290.319 2.466 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1csc([N+](=O)[O-])c1 ZINC000828645653 636647898 /nfs/dbraw/zinc/64/78/98/636647898.db2.gz TYHFSELOLWLTNF-LLVKDONJSA-N -1 0 286.309 2.030 20 5 CEBDRM CC1=NO[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000831686160 637409753 /nfs/dbraw/zinc/40/97/53/637409753.db2.gz MEMRWIYRSCVHJF-VIFPVBQESA-N -1 0 299.670 2.057 20 5 CEBDRM CSCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835819678 638421057 /nfs/dbraw/zinc/42/10/57/638421057.db2.gz GIEYCPISIKNGMF-SSDOTTSWSA-N -1 0 258.299 2.221 20 5 CEBDRM C/C=C(\C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837564419 639285017 /nfs/dbraw/zinc/28/50/17/639285017.db2.gz NABIFRMWZUXTGP-FPYGCLRLSA-N -1 0 251.238 2.310 20 5 CEBDRM CO[C@H](C)CCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837628111 639315609 /nfs/dbraw/zinc/31/56/09/639315609.db2.gz PWLKBFCUTDWOAH-SECBINFHSA-N -1 0 283.280 2.159 20 5 CEBDRM CC(C)[C@H](F)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837655052 639327803 /nfs/dbraw/zinc/32/78/03/639327803.db2.gz CRHJROXQJWITFG-NSHDSACASA-N -1 0 271.244 2.338 20 5 CEBDRM CSC(C)(C)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166855943 639489363 /nfs/dbraw/zinc/48/93/63/639489363.db2.gz HIIWOTYWGOVQQQ-UHFFFAOYSA-N -1 0 285.325 2.242 20 5 CEBDRM CC[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000087509755 639666555 /nfs/dbraw/zinc/66/65/55/639666555.db2.gz MSGPWZKUCDIFQQ-ZETCQYMHSA-N -1 0 256.233 2.257 20 5 CEBDRM Cc1c(C[N-]C(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000231879061 639881802 /nfs/dbraw/zinc/88/18/02/639881802.db2.gz BOLJQERZPCSSSL-UHFFFAOYSA-N -1 0 262.187 2.082 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000843037460 640246346 /nfs/dbraw/zinc/24/63/46/640246346.db2.gz YIKFQDYPAYOOKQ-JGVFFNPUSA-N -1 0 298.270 2.408 20 5 CEBDRM CC(C)[C@@]1(C(=O)[O-])CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000844217250 640634814 /nfs/dbraw/zinc/63/48/14/640634814.db2.gz FNRKXAFUWXUPTN-CQSZACIVSA-N -1 0 293.323 2.114 20 5 CEBDRM CC(=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916846588 640824857 /nfs/dbraw/zinc/82/48/57/640824857.db2.gz FKYZSKBIHPDJFY-UHFFFAOYSA-N -1 0 289.247 2.101 20 5 CEBDRM CC(C)O[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590721 642070750 /nfs/dbraw/zinc/07/07/50/642070750.db2.gz PLVIBIWSCDIXCZ-UHFFFAOYSA-N -1 0 290.222 2.023 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc[nH]1 ZINC000760957166 645216596 /nfs/dbraw/zinc/21/65/96/645216596.db2.gz HWCLSRMBSIZEJX-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM CCCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000776443044 647062952 /nfs/dbraw/zinc/06/29/52/647062952.db2.gz BZJDMXLIUNIHTR-UHFFFAOYSA-N -1 0 281.268 2.167 20 5 CEBDRM O=C(NOC1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000779323184 647311262 /nfs/dbraw/zinc/31/12/62/647311262.db2.gz JHJMNDATOOQSKL-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM CS[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000779668933 647338100 /nfs/dbraw/zinc/33/81/00/647338100.db2.gz CLEKODATKSMGJI-PSASIEDQSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C(Nc1ccc(F)nc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780649531 647455332 /nfs/dbraw/zinc/45/53/32/647455332.db2.gz MJVRGYAZTTWQGI-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])OCC(F)(F)F ZINC000879518566 651314868 /nfs/dbraw/zinc/31/48/68/651314868.db2.gz KOJZCNLTUYSUEJ-UHFFFAOYSA-N -1 0 280.202 2.226 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000693390020 802882203 /nfs/dbraw/zinc/88/22/03/802882203.db2.gz VGDNFYBYELIRLT-WRXNHJIOSA-N -1 0 254.217 2.009 20 5 CEBDRM Cc1nc([N-]c2cnn(C)c2C2CC2)ncc1[N+](=O)[O-] ZINC001118986689 815060528 /nfs/dbraw/zinc/06/05/28/815060528.db2.gz LWPOLDVMCTXGDX-UHFFFAOYSA-N -1 0 274.284 2.048 20 5 CEBDRM COc1cccc(N[C@@H]2CC=C(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000702125397 809506550 /nfs/dbraw/zinc/50/65/50/809506550.db2.gz JRIVVLWTPCIPAO-SECBINFHSA-N -1 0 278.264 2.189 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000706486322 809826640 /nfs/dbraw/zinc/82/66/40/809826640.db2.gz KSDQLFCNBILYNF-JTQLQIEISA-N -1 0 277.280 2.067 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnc(Cl)nc2)cc1[N+](=O)[O-] ZINC001174502408 816028929 /nfs/dbraw/zinc/02/89/29/816028929.db2.gz NIQFCRONBSZLQM-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=Nc1c(=O)[nH]c(=O)[nH]c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734205 816270778 /nfs/dbraw/zinc/27/07/78/816270778.db2.gz NPVHDMKUXLIJIP-UHFFFAOYSA-N -1 0 295.186 2.077 20 5 CEBDRM O=C([O-])c1cc(Nc2cnc(Cl)nc2)cc([N+](=O)[O-])c1 ZINC001176672218 816453117 /nfs/dbraw/zinc/45/31/17/816453117.db2.gz JUKFCGUWJNIBJP-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM Cc1cc(O)cnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673601 816453669 /nfs/dbraw/zinc/45/36/69/816453669.db2.gz XLAUBRRTRUEQFS-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM CN(c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ncccc1N ZINC001176673629 816454231 /nfs/dbraw/zinc/45/42/31/816454231.db2.gz YNWIZVGGUYSTLF-UHFFFAOYSA-N -1 0 288.263 2.038 20 5 CEBDRM CN(CCC(=O)[O-])c1cc(Cl)ccc1[N+](=O)[O-] ZINC000124696461 187149716 /nfs/dbraw/zinc/14/97/16/187149716.db2.gz XGHABZJAPCAPKG-UHFFFAOYSA-N -1 0 258.661 2.159 20 5 CEBDRM O=C([O-])c1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000035054789 361807363 /nfs/dbraw/zinc/80/73/63/361807363.db2.gz SFLIQVHTUUPBNE-UHFFFAOYSA-N -1 0 287.275 2.343 20 5 CEBDRM Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000337643385 214194656 /nfs/dbraw/zinc/19/46/56/214194656.db2.gz GCGWLMHMECCZNR-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC1(F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000601869271 346919308 /nfs/dbraw/zinc/91/93/08/346919308.db2.gz QQMIPJSJERZZGM-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179467888 529687376 /nfs/dbraw/zinc/68/73/76/529687376.db2.gz GFSGLCWAKOKAKD-QMMMGPOBSA-N -1 0 252.270 2.171 20 5 CEBDRM O=c1cc(C2CCC2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000601935442 346931380 /nfs/dbraw/zinc/93/13/80/346931380.db2.gz UYHYCJOLAFEFDG-UHFFFAOYSA-N -1 0 259.265 2.488 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1C12CC(C1)C2 ZINC000601948520 346940206 /nfs/dbraw/zinc/94/02/06/346940206.db2.gz YPXCFYRIZNMDGK-UHFFFAOYSA-N -1 0 271.276 2.084 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000044619108 343475468 /nfs/dbraw/zinc/47/54/68/343475468.db2.gz WDZSOTPPNFKEGR-GFCCVEGCSA-N -1 0 289.291 2.442 20 5 CEBDRM C[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000125656231 344319922 /nfs/dbraw/zinc/31/99/22/344319922.db2.gz CBXUEOKBMCAKPL-SSDOTTSWSA-N -1 0 265.269 2.146 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])nc2)CCCC1 ZINC000137839344 344388569 /nfs/dbraw/zinc/38/85/69/344388569.db2.gz YROUHEIRVXONKH-UHFFFAOYSA-N -1 0 265.269 2.047 20 5 CEBDRM CO[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000050375448 362416878 /nfs/dbraw/zinc/41/68/78/362416878.db2.gz LOTJAHPKIQBQFQ-ZYHUDNBSSA-N -1 0 280.280 2.272 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000157209652 530007827 /nfs/dbraw/zinc/00/78/27/530007827.db2.gz OLQQUCDYBSRJSM-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM COCC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000401369070 344868431 /nfs/dbraw/zinc/86/84/31/344868431.db2.gz VDNXMDIUUZVWQI-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000403619132 344876240 /nfs/dbraw/zinc/87/62/40/344876240.db2.gz KPOVYGDWJODZQJ-LPEHRKFASA-N -1 0 276.292 2.219 20 5 CEBDRM CC(C)C1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000586800922 345023721 /nfs/dbraw/zinc/02/37/21/345023721.db2.gz NJGKJXQWSTYSPW-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM CCOC[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000592976717 345417758 /nfs/dbraw/zinc/41/77/58/345417758.db2.gz NLYOCEINCHKRKF-JTQLQIEISA-N -1 0 294.307 2.156 20 5 CEBDRM C[C@@H]1C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592757334 345393760 /nfs/dbraw/zinc/39/37/60/345393760.db2.gz OGORFOYFEIIOJP-SVGQVSJJSA-N -1 0 270.672 2.092 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(C2CC2)C1 ZINC000592800967 345397782 /nfs/dbraw/zinc/39/77/82/345397782.db2.gz DSBLWPSCGALTRW-UHFFFAOYSA-N -1 0 296.710 2.436 20 5 CEBDRM C[C@@H](CF)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592800097 345397852 /nfs/dbraw/zinc/39/78/52/345397852.db2.gz SFYGBKPTJAARBJ-YFKPBYRVSA-N -1 0 276.651 2.042 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC=CCC2)c1 ZINC000593735514 345529719 /nfs/dbraw/zinc/52/97/19/345529719.db2.gz YAEXVRYHGWAOBA-UHFFFAOYSA-N -1 0 262.265 2.055 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCC(F)(F)C1 ZINC000593789683 345539076 /nfs/dbraw/zinc/53/90/76/345539076.db2.gz RHZUJLOONKHBCS-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM C[C@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000594736100 345682003 /nfs/dbraw/zinc/68/20/03/345682003.db2.gz POLCSFDWTZOIFN-SNVBAGLBSA-N -1 0 287.222 2.145 20 5 CEBDRM O=C([O-])c1cc(C(=O)NCC2=CCCC2)cc([N+](=O)[O-])c1 ZINC000595247445 345747837 /nfs/dbraw/zinc/74/78/37/345747837.db2.gz DOPUSNBQPUNFPG-UHFFFAOYSA-N -1 0 290.275 2.133 20 5 CEBDRM C[C@@H]1COC2(CCC2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595681379 345847420 /nfs/dbraw/zinc/84/74/20/345847420.db2.gz LHGFKVKEHOQKAL-LLVKDONJSA-N -1 0 292.335 2.444 20 5 CEBDRM Cc1occc1CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160110143 232248646 /nfs/dbraw/zinc/24/86/46/232248646.db2.gz VEDXJDNXSLZLIE-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM C[C@]1(C2CC2)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000595624617 345830835 /nfs/dbraw/zinc/83/08/35/345830835.db2.gz DTLUNPSKSIHZMW-OAHLLOKOSA-N -1 0 292.335 2.301 20 5 CEBDRM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000179000954 232384871 /nfs/dbraw/zinc/38/48/71/232384871.db2.gz GBCGXECIFNFHBL-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000085328515 179019106 /nfs/dbraw/zinc/01/91/06/179019106.db2.gz WFYHYCLMMUTYBE-BDAKNGLRSA-N -1 0 250.254 2.260 20 5 CEBDRM CC(C)(F)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598198188 346303621 /nfs/dbraw/zinc/30/36/21/346303621.db2.gz HTAVAFJQZFQTEL-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM O=C(NCC1=CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598374820 346341848 /nfs/dbraw/zinc/34/18/48/346341848.db2.gz DNNVSGBEGSSMDN-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598388587 346344327 /nfs/dbraw/zinc/34/43/27/346344327.db2.gz ZYAWJPNQRLABDP-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(CC2CC2)C1 ZINC000598905267 346432890 /nfs/dbraw/zinc/43/28/90/346432890.db2.gz HMRWBFXSXHYTMF-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OCC ZINC000600175079 346615155 /nfs/dbraw/zinc/61/51/55/346615155.db2.gz OSRJYTAPCDMDML-JTQLQIEISA-N -1 0 296.323 2.235 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1CN=c1[n-]nc([C@H]2C[C@@H]2C)o1 ZINC000601064876 346742336 /nfs/dbraw/zinc/74/23/36/346742336.db2.gz SFYKXIFQCDFFQO-CABZTGNLSA-N -1 0 288.307 2.444 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1C1CCCC1 ZINC000603921588 347397907 /nfs/dbraw/zinc/39/79/07/347397907.db2.gz XYYHHALAXHUALL-UHFFFAOYSA-N -1 0 273.292 2.474 20 5 CEBDRM CCOc1cc(NC[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000104246496 185941769 /nfs/dbraw/zinc/94/17/69/185941769.db2.gz GSTRTBBASHHYKO-QMMMGPOBSA-N -1 0 268.269 2.126 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(F)ccc2F)[nH]1 ZINC000352013208 219291366 /nfs/dbraw/zinc/29/13/66/219291366.db2.gz HOYISLXWXDKMQX-RJRFIUFISA-N -1 0 295.201 2.245 20 5 CEBDRM CCCC[C@H](Nc1ncc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000090691641 180024614 /nfs/dbraw/zinc/02/46/14/180024614.db2.gz RVGFDHVSUIDZJK-VIFPVBQESA-N -1 0 267.285 2.354 20 5 CEBDRM Cc1ccnc(N2CCC(CCC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000070495604 363091505 /nfs/dbraw/zinc/09/15/05/363091505.db2.gz HNUDNFYRWMHTBF-UHFFFAOYSA-N -1 0 293.323 2.379 20 5 CEBDRM O=C(NC1CCCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163958799 188618761 /nfs/dbraw/zinc/61/87/61/188618761.db2.gz CYALADJPHFMVRE-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM O=c1cc(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cn1 ZINC000196208802 540217723 /nfs/dbraw/zinc/21/77/23/540217723.db2.gz AHLOVHIWCFNYNW-UHFFFAOYSA-N -1 0 282.259 2.131 20 5 CEBDRM O=C(Nc1cccc(O)c1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000581523195 366788470 /nfs/dbraw/zinc/78/84/70/366788470.db2.gz DYWGOELNHYSGJE-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000581550641 366794326 /nfs/dbraw/zinc/79/43/26/366794326.db2.gz IVCLFBNKEDRAOL-AYMMMOKOSA-N -1 0 277.280 2.207 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000019400711 361530841 /nfs/dbraw/zinc/53/08/41/361530841.db2.gz LSHQEGQNDFTFKX-PRHODGIISA-N -1 0 294.307 2.132 20 5 CEBDRM CCC[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000087488273 363856955 /nfs/dbraw/zinc/85/69/55/363856955.db2.gz UXONJEVKKYIQNM-SNVBAGLBSA-N -1 0 294.307 2.134 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000120868689 365487496 /nfs/dbraw/zinc/48/74/96/365487496.db2.gz TVTNUNKSVALCME-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CCC(O)(CC)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582669055 366941129 /nfs/dbraw/zinc/94/11/29/366941129.db2.gz XJVQFHAJACIYRE-UHFFFAOYSA-N -1 0 297.311 2.041 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341206534 367221574 /nfs/dbraw/zinc/22/15/74/367221574.db2.gz MZTMUAQDFBNIHX-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM Cc1cccc(C(=O)N=c2ccc(C3CC3)n[n-]2)c1[N+](=O)[O-] ZINC000341201524 367218836 /nfs/dbraw/zinc/21/88/36/367218836.db2.gz WWWIXZUOAUSQEU-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164439474 367287113 /nfs/dbraw/zinc/28/71/13/367287113.db2.gz NZCAHNUQMBOQMY-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM CC(C)(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572605752 299384109 /nfs/dbraw/zinc/38/41/09/299384109.db2.gz XKYYDKZBUAYBRV-LBPRGKRZSA-N -1 0 294.307 2.033 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182011079 368515442 /nfs/dbraw/zinc/51/54/42/368515442.db2.gz PQXRYRIIGZGVQB-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM CCCCN(CCOC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185760190 368856160 /nfs/dbraw/zinc/85/61/60/368856160.db2.gz ZTDYFAMJKOONRD-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2ccoc2)ccc1[N+](=O)[O-] ZINC000350144836 369515479 /nfs/dbraw/zinc/51/54/79/369515479.db2.gz UQJPDTKSDZAKND-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000225820179 370320559 /nfs/dbraw/zinc/32/05/59/370320559.db2.gz QXZOZTYEXMMQGF-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM Cc1cc(NCC(=O)[O-])c(Br)cc1[N+](=O)[O-] ZINC000235768083 370577303 /nfs/dbraw/zinc/57/73/03/370577303.db2.gz XMKQBHJAIIMKOT-UHFFFAOYSA-N -1 0 289.085 2.162 20 5 CEBDRM Cc1cnccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235821834 370578441 /nfs/dbraw/zinc/57/84/41/370578441.db2.gz GRSQZYIXGZNNTK-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2ccc(C3CC3)n[n-]2)c1 ZINC000358493328 371090244 /nfs/dbraw/zinc/09/02/44/371090244.db2.gz BZKYWWBHDQXVTI-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272598549 373571748 /nfs/dbraw/zinc/57/17/48/373571748.db2.gz XEZIKBUIYMKJAN-RKDXNWHRSA-N -1 0 264.281 2.028 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272605482 373576839 /nfs/dbraw/zinc/57/68/39/373576839.db2.gz YIXSNBJPWNHXGF-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM CC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC1 ZINC000272701783 373621454 /nfs/dbraw/zinc/62/14/54/373621454.db2.gz UQWGAZPSPFTCHG-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C([O-])[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633476 304187259 /nfs/dbraw/zinc/18/72/59/304187259.db2.gz ZFZZLCXNSIRUJW-LLVKDONJSA-N -1 0 284.699 2.297 20 5 CEBDRM CC1(C)C[C@@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000389411595 375303643 /nfs/dbraw/zinc/30/36/43/375303643.db2.gz LGUWPZGRPRWYCF-SSDOTTSWSA-N -1 0 265.269 2.146 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000399734688 375366493 /nfs/dbraw/zinc/36/64/93/375366493.db2.gz LNLGMNUDBVWOLE-HRDYMLBCSA-N -1 0 279.296 2.169 20 5 CEBDRM CCOCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565035516 377537923 /nfs/dbraw/zinc/53/79/23/377537923.db2.gz NFHIREAHLMBOPX-UHFFFAOYSA-N -1 0 282.296 2.074 20 5 CEBDRM Cc1cc(N[C@H](C)C[C@@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565035959 377537931 /nfs/dbraw/zinc/53/79/31/377537931.db2.gz QGKWJEDFSWLAEO-RKDXNWHRSA-N -1 0 282.296 2.173 20 5 CEBDRM Cc1cc(NC[C@H]2CCC[C@@H]2O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565367941 377652610 /nfs/dbraw/zinc/65/26/10/377652610.db2.gz PGRLUEUKKMNTDD-RNCFNFMXSA-N -1 0 294.307 2.174 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(CF)CC1 ZINC000295751234 378289198 /nfs/dbraw/zinc/28/91/98/378289198.db2.gz NHQIMIXTTXPSHX-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM CC(C)(CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000295655792 378252434 /nfs/dbraw/zinc/25/24/34/378252434.db2.gz HFTHMAFXBRMEGL-UHFFFAOYSA-N -1 0 297.267 2.074 20 5 CEBDRM CC(C)CC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299195871 378931306 /nfs/dbraw/zinc/93/13/06/378931306.db2.gz NLOCJSOAENRIIP-UHFFFAOYSA-N -1 0 290.316 2.058 20 5 CEBDRM C[C@H]1CC[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000334086089 380237215 /nfs/dbraw/zinc/23/72/15/380237215.db2.gz ANPMKFRYZKMIGL-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM CCN(CC(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280852867 195002262 /nfs/dbraw/zinc/00/22/62/195002262.db2.gz WGHBADWRSBBGFF-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC(=O)[O-] ZINC000262757321 131259047 /nfs/dbraw/zinc/25/90/47/131259047.db2.gz JWQXRRQKPVRJCT-SECBINFHSA-N -1 0 294.307 2.113 20 5 CEBDRM CC(C)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263220410 131286637 /nfs/dbraw/zinc/28/66/37/131286637.db2.gz YQNSURCSNVYGFO-VIFPVBQESA-N -1 0 294.307 2.169 20 5 CEBDRM Cc1cc(N)nc(SCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000436477777 395119867 /nfs/dbraw/zinc/11/98/67/395119867.db2.gz ZOZURBLHBWEVGS-UHFFFAOYSA-N -1 0 292.320 2.104 20 5 CEBDRM Cc1[nH]nc(C(=O)Nc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000436630004 395136449 /nfs/dbraw/zinc/13/64/49/395136449.db2.gz LCNRMPPJFUTBTQ-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(CCC2(F)F)C1 ZINC000436613099 395134598 /nfs/dbraw/zinc/13/45/98/395134598.db2.gz SOAOBAUJPHHRJB-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OC ZINC000436692773 395144590 /nfs/dbraw/zinc/14/45/90/395144590.db2.gz YCOKQJQAKUPNSC-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436711882 395147495 /nfs/dbraw/zinc/14/74/95/395147495.db2.gz LOJTVSMKIAMXDD-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436748263 395152138 /nfs/dbraw/zinc/15/21/38/395152138.db2.gz OKLMSTNDKXHGIZ-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CC(C)CCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178480325 395168892 /nfs/dbraw/zinc/16/88/92/395168892.db2.gz DSMOQVNZAXMNQV-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CC(C)=CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436993645 395171570 /nfs/dbraw/zinc/17/15/70/395171570.db2.gz FJSYBSJWMBQQHM-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM CCOC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000191433544 395359594 /nfs/dbraw/zinc/35/95/94/395359594.db2.gz YIIWHINGLQRRSG-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])Cc1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000521050704 297640425 /nfs/dbraw/zinc/64/04/25/297640425.db2.gz ZCZWYGFBWJVPOS-UHFFFAOYSA-N -1 0 250.254 2.044 20 5 CEBDRM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccn1 ZINC000217315943 153299196 /nfs/dbraw/zinc/29/91/96/153299196.db2.gz YJKJBMUGGOWLLP-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1noc(C)c1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000255510551 153749133 /nfs/dbraw/zinc/74/91/33/153749133.db2.gz MGTWXSFWOGGSRW-ARJAWSKDSA-N -1 0 289.247 2.463 20 5 CEBDRM CCCN(CC(=O)[O-])c1nccc2cc([N+](=O)[O-])ccc21 ZINC000263391481 154075355 /nfs/dbraw/zinc/07/53/55/154075355.db2.gz GLDNXZDJFMXGOU-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@](C)(C(=O)[O-])C1 ZINC000263413772 154080403 /nfs/dbraw/zinc/08/04/03/154080403.db2.gz NGBMKMHBJDVTJG-AWEZNQCLSA-N -1 0 292.291 2.098 20 5 CEBDRM CCC(=O)c1ccc(NCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000263533836 154116054 /nfs/dbraw/zinc/11/60/54/154116054.db2.gz YASLBBBMPPWUNC-UHFFFAOYSA-N -1 0 266.253 2.074 20 5 CEBDRM CCc1[nH]ccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000560623267 298658209 /nfs/dbraw/zinc/65/82/09/298658209.db2.gz VBHFYAIKERPFCN-UHFFFAOYSA-N -1 0 275.264 2.443 20 5 CEBDRM O=C([O-])CCCCCCNc1ccncc1[N+](=O)[O-] ZINC000020370069 171167933 /nfs/dbraw/zinc/16/79/33/171167933.db2.gz DDWLIWJHUPGEPA-UHFFFAOYSA-N -1 0 267.285 2.437 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000044467075 175177568 /nfs/dbraw/zinc/17/75/68/175177568.db2.gz GEBYCTKNMBNCTP-RXMQYKEDSA-N -1 0 289.085 2.242 20 5 CEBDRM CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000874853820 649855623 /nfs/dbraw/zinc/85/56/23/649855623.db2.gz PWRIMINAPKQJFG-UHFFFAOYSA-N -1 0 286.234 2.218 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000226167012 270309381 /nfs/dbraw/zinc/30/93/81/270309381.db2.gz NCZSGGQQWJVDOK-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM CO[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000230258592 270313300 /nfs/dbraw/zinc/31/33/00/270313300.db2.gz RBSHLTXZOHOBOD-TVQRCGJNSA-N -1 0 294.307 2.154 20 5 CEBDRM O=C([O-])c1cc(NCC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000236468791 270315297 /nfs/dbraw/zinc/31/52/97/270315297.db2.gz BLLBMOSCQLSAKS-SECBINFHSA-N -1 0 280.280 2.132 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(CC(F)F)C1 ZINC000425074616 271120506 /nfs/dbraw/zinc/12/05/06/271120506.db2.gz INTBCUYXYFQKQM-UHFFFAOYSA-N -1 0 286.234 2.028 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cn1 ZINC000430049070 271355259 /nfs/dbraw/zinc/35/52/59/271355259.db2.gz GNPHEVJGAZLWQR-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966630 271697148 /nfs/dbraw/zinc/69/71/48/271697148.db2.gz OAALDTVVBMWKPI-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM CC(C)(C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299403879 277146132 /nfs/dbraw/zinc/14/61/32/277146132.db2.gz MUGKSHDZMHOJPD-UHFFFAOYSA-N -1 0 290.316 2.058 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336813704 281138278 /nfs/dbraw/zinc/13/82/78/281138278.db2.gz VGNCZUSSPJLOMB-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424275070 281141662 /nfs/dbraw/zinc/14/16/62/281141662.db2.gz ZKOANCFZIURQHM-GZMMTYOYSA-N -1 0 284.337 2.341 20 5 CEBDRM COc1cc(/C=C/c2ccncn2)cc([N+](=O)[O-])c1[O-] ZINC000436865713 281409154 /nfs/dbraw/zinc/40/91/54/281409154.db2.gz SWGASQPIJZBBBA-NSCUHMNNSA-N -1 0 273.248 2.269 20 5 CEBDRM CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000272618961 281590412 /nfs/dbraw/zinc/59/04/12/281590412.db2.gz QJRCUESIDVZUDU-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444469106 281607368 /nfs/dbraw/zinc/60/73/68/281607368.db2.gz SNYVGZGEEIRZKK-WPRPVWTQSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(COCC1CCCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000456010586 289528255 /nfs/dbraw/zinc/52/82/55/289528255.db2.gz RFCWIFPVUPOENX-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000457983989 289858373 /nfs/dbraw/zinc/85/83/73/289858373.db2.gz BBRZSKJQUHKLDT-NOZJJQNGSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CC=CCC2)n1 ZINC000166795859 297465925 /nfs/dbraw/zinc/46/59/25/297465925.db2.gz KRNJDRUKJMMZFX-QMMMGPOBSA-N -1 0 263.253 2.209 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2CCC1CC2 ZINC000312891750 304551905 /nfs/dbraw/zinc/55/19/05/304551905.db2.gz AXZQRDAJLAHKRU-UHFFFAOYSA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000564731218 298843377 /nfs/dbraw/zinc/84/33/77/298843377.db2.gz CHULJKQVRSWDJD-AWEZNQCLSA-N -1 0 294.307 2.203 20 5 CEBDRM CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1O ZINC000514965264 313062234 /nfs/dbraw/zinc/06/22/34/313062234.db2.gz JFHLEZVBPNLNLB-UHFFFAOYSA-N -1 0 289.247 2.083 20 5 CEBDRM C[C@@H](C[C@@H]1CCCO1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576520973 314283784 /nfs/dbraw/zinc/28/37/84/314283784.db2.gz QFZLKYLYETZIOM-WPRPVWTQSA-N -1 0 295.295 2.058 20 5 CEBDRM CC(C)[C@H](O)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000577496774 314383435 /nfs/dbraw/zinc/38/34/35/314383435.db2.gz SNDANHDDRVMZBD-CYBMUJFWSA-N -1 0 296.323 2.041 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCCSC2)n1 ZINC000578537126 314491347 /nfs/dbraw/zinc/49/13/47/314491347.db2.gz WSMUALASJUCNSC-QMMMGPOBSA-N -1 0 297.336 2.304 20 5 CEBDRM Cc1ncsc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183911813 321723944 /nfs/dbraw/zinc/72/39/44/321723944.db2.gz KJPWDYLTUGXBNI-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H](CC(=O)[O-])CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000061836405 524390043 /nfs/dbraw/zinc/39/00/43/524390043.db2.gz YXYVIHJEGCYZRU-SNVBAGLBSA-N -1 0 294.307 2.054 20 5 CEBDRM O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2C(=O)[O-])o1 ZINC000874972608 649878232 /nfs/dbraw/zinc/87/82/32/649878232.db2.gz HLAIHIKGPMYXQG-UHFFFAOYSA-N -1 0 261.189 2.366 20 5 CEBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)CO ZINC000736607644 574793398 /nfs/dbraw/zinc/79/33/98/574793398.db2.gz YEJNLFBOOWBQRL-IVRGCMMQSA-N -1 0 294.307 2.121 20 5 CEBDRM CC(C)C[C@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])nc1 ZINC000738805509 574879472 /nfs/dbraw/zinc/87/94/72/574879472.db2.gz BEAUAVFQNBKQFD-SNVBAGLBSA-N -1 0 282.300 2.084 20 5 CEBDRM Cc1ccnc(NCCCN(C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000740195847 574947855 /nfs/dbraw/zinc/94/78/55/574947855.db2.gz OVGZNJHCCTYFCE-UHFFFAOYSA-N -1 0 296.327 2.489 20 5 CEBDRM CC(C)[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148364966 597792923 /nfs/dbraw/zinc/79/29/23/597792923.db2.gz GYAKVXVWXDUQDZ-MRVPVSSYSA-N -1 0 273.676 2.164 20 5 CEBDRM O=C([O-])c1cc(OCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000052151459 600378599 /nfs/dbraw/zinc/37/85/99/600378599.db2.gz XILXCPCPFNEODR-UHFFFAOYSA-N -1 0 281.264 2.098 20 5 CEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570407 600561382 /nfs/dbraw/zinc/56/13/82/600561382.db2.gz RLSHOISPSBGSNZ-UHFFFAOYSA-N -1 0 298.270 2.059 20 5 CEBDRM O=C([O-])[C@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000833162969 600820411 /nfs/dbraw/zinc/82/04/11/600820411.db2.gz CUSPOKGJMBSJOR-LLVKDONJSA-N -1 0 287.275 2.270 20 5 CEBDRM C[C@H](CO)Sc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827518123 600828015 /nfs/dbraw/zinc/82/80/15/600828015.db2.gz YPHLANWARGCYTK-RYEJSQLPSA-N -1 0 283.305 2.166 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000088147258 601011021 /nfs/dbraw/zinc/01/10/21/601011021.db2.gz OFYHIENDHBTMRR-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM CS/C=C/C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832747703 601342242 /nfs/dbraw/zinc/34/22/42/601342242.db2.gz IMTBJVRIOSLGNG-NSCUHMNNSA-N -1 0 282.277 2.108 20 5 CEBDRM O=C([O-])CCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000070088921 601347184 /nfs/dbraw/zinc/34/71/84/601347184.db2.gz GBQAUSJOPNRXHR-UHFFFAOYSA-N -1 0 259.645 2.492 20 5 CEBDRM Cc1cc(SCCCC(=O)[O-])ncc1[N+](=O)[O-] ZINC000310530398 601564720 /nfs/dbraw/zinc/56/47/20/601564720.db2.gz PVCBIMMZACYPBB-UHFFFAOYSA-N -1 0 256.283 2.255 20 5 CEBDRM C[C@H](CCCO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827412642 601565110 /nfs/dbraw/zinc/56/51/10/601565110.db2.gz NEARNOHPMGCASA-BREXMAIKSA-N -1 0 294.307 2.266 20 5 CEBDRM C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739037526 601919022 /nfs/dbraw/zinc/91/90/22/601919022.db2.gz RBWDEQQCXBMGPP-NXEZZACHSA-N -1 0 294.311 2.180 20 5 CEBDRM Cc1nc(NCc2ccc(C(=O)[O-])o2)ccc1[N+](=O)[O-] ZINC000123528645 602129459 /nfs/dbraw/zinc/12/94/59/602129459.db2.gz SMWRTMWJMLHDPD-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM CC[C@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828906541 602189812 /nfs/dbraw/zinc/18/98/12/602189812.db2.gz IYUUGZIMCSJABT-CABZTGNLSA-N -1 0 294.307 2.273 20 5 CEBDRM Cc1cnc(N[C@@H]2CCC[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634020 603208726 /nfs/dbraw/zinc/20/87/26/603208726.db2.gz HNQFIRAWVKWBBY-VHSXEESVSA-N -1 0 294.311 2.146 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCN(C(=O)[O-])CC1 ZINC000825637559 603562567 /nfs/dbraw/zinc/56/25/67/603562567.db2.gz DTOISGWBXAOKSI-NSHDSACASA-N -1 0 293.323 2.342 20 5 CEBDRM Cc1cc(N[C@H](CNC(=O)[O-])CC(C)C)ncc1[N+](=O)[O-] ZINC000830116705 603890140 /nfs/dbraw/zinc/89/01/40/603890140.db2.gz LPKOOQNLEIWPAX-JTQLQIEISA-N -1 0 296.327 2.392 20 5 CEBDRM CCCC[C@@H](CNC(=O)[O-])Nc1cccnc1[N+](=O)[O-] ZINC000826812786 603893488 /nfs/dbraw/zinc/89/34/88/603893488.db2.gz FJLFKTFUQJVFQX-VIFPVBQESA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1ccc(NC(=O)[C@H](C)CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830359160 604056664 /nfs/dbraw/zinc/05/66/64/604056664.db2.gz WADDSWSBBRMHQZ-SECBINFHSA-N -1 0 295.295 2.088 20 5 CEBDRM CN(C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828230906 604102583 /nfs/dbraw/zinc/10/25/83/604102583.db2.gz WHCUSDNIKBXDRF-JTQLQIEISA-N -1 0 299.352 2.231 20 5 CEBDRM CC(C)CCOC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000826855210 604753022 /nfs/dbraw/zinc/75/30/22/604753022.db2.gz JOFPRGYXLZAJAY-UHFFFAOYSA-N -1 0 281.264 2.496 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1F ZINC000825844850 605488143 /nfs/dbraw/zinc/48/81/43/605488143.db2.gz MQAMBSTXAOASQN-DTWKUNHWSA-N -1 0 297.286 2.359 20 5 CEBDRM O=C([O-])NC[C@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000834219674 605645963 /nfs/dbraw/zinc/64/59/63/605645963.db2.gz KZPSTZDVYKLLSI-SNVBAGLBSA-N -1 0 279.296 2.221 20 5 CEBDRM O=C([O-])N[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000834149149 605923306 /nfs/dbraw/zinc/92/33/06/605923306.db2.gz CBWHRHYGIGVTNX-NSHDSACASA-N -1 0 283.259 2.192 20 5 CEBDRM CS[C@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119076954 627936392 /nfs/dbraw/zinc/93/63/92/627936392.db2.gz RUVCRWDERNAWDR-ZJUUUORDSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000162572041 628352736 /nfs/dbraw/zinc/35/27/36/628352736.db2.gz FZSGEIMZGVWEOJ-VIFPVBQESA-N -1 0 267.285 2.067 20 5 CEBDRM CS[C@@H](C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000162854933 628731650 /nfs/dbraw/zinc/73/16/50/628731650.db2.gz LULWZMHLZIFHSI-ZETCQYMHSA-N -1 0 270.310 2.456 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000262168501 629996138 /nfs/dbraw/zinc/99/61/38/629996138.db2.gz URBNAHLHQOOAQJ-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM O=C(Nc1ccc(O)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000798300009 630853553 /nfs/dbraw/zinc/85/35/53/630853553.db2.gz SRRFVHURVAGZDM-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000263136165 631334839 /nfs/dbraw/zinc/33/48/39/631334839.db2.gz GFWORRWSMVXVSP-YUMQZZPRSA-N -1 0 299.714 2.190 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000899405912 632835233 /nfs/dbraw/zinc/83/52/33/632835233.db2.gz QXNLFVDEYWYLLE-DURYJLSESA-N -1 0 290.319 2.322 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906147948 636625088 /nfs/dbraw/zinc/62/50/88/636625088.db2.gz CQNMVAUPNMBESP-NSHDSACASA-N -1 0 296.298 2.408 20 5 CEBDRM O=C([O-])Cc1ccc(N2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906149798 636625401 /nfs/dbraw/zinc/62/54/01/636625401.db2.gz XKZZWEMJZQHIRF-SNVBAGLBSA-N -1 0 282.271 2.018 20 5 CEBDRM O=C([O-])C12CC(C1)CN2c1ccc2ncccc2c1[N+](=O)[O-] ZINC000910467181 638064846 /nfs/dbraw/zinc/06/48/46/638064846.db2.gz SBSHRQLHTRJJSE-UHFFFAOYSA-N -1 0 299.286 2.196 20 5 CEBDRM O=C([O-])[C@@]1(F)CN(c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000910474832 638068499 /nfs/dbraw/zinc/06/84/99/638068499.db2.gz NUKDNOLHTWZPHR-AWEZNQCLSA-N -1 0 294.282 2.378 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000911724058 638375417 /nfs/dbraw/zinc/37/54/17/638375417.db2.gz JMTBYOBZAXTHAQ-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM CC(C)(C)O[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000835862244 638431719 /nfs/dbraw/zinc/43/17/19/638431719.db2.gz ISPPKIHCOSJBQJ-DTORHVGOSA-N -1 0 282.296 2.426 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000837739030 639368571 /nfs/dbraw/zinc/36/85/71/639368571.db2.gz WXXJOOKCCNVRAC-VIFPVBQESA-N -1 0 297.332 2.487 20 5 CEBDRM COC[C@@H](C)[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837739342 639369275 /nfs/dbraw/zinc/36/92/75/639369275.db2.gz UYERAJDRXGTWSJ-ZJUUUORDSA-N -1 0 297.307 2.262 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000841490507 639776199 /nfs/dbraw/zinc/77/61/99/639776199.db2.gz SNNVDENJLIOEJZ-SECBINFHSA-N -1 0 293.304 2.258 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CCC(=O)[O-] ZINC000841505992 639779367 /nfs/dbraw/zinc/77/93/67/639779367.db2.gz QPINASMTRGMQJN-UHFFFAOYSA-N -1 0 272.688 2.468 20 5 CEBDRM CCON(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000844078176 640595598 /nfs/dbraw/zinc/59/55/98/640595598.db2.gz RZZHASQTFPVMRY-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM COC[C@H](C)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207485 640632035 /nfs/dbraw/zinc/63/20/35/640632035.db2.gz KKKVELKKYSKADY-DFVUYQKZSA-N -1 0 294.307 2.387 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1 ZINC000844208524 640632381 /nfs/dbraw/zinc/63/23/81/640632381.db2.gz QKYUJLSWSIBBQT-RQOWECAXSA-N -1 0 292.291 2.284 20 5 CEBDRM Cc1cc(N2CCOC[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210155 640633149 /nfs/dbraw/zinc/63/31/49/640633149.db2.gz PVQARYIQNYRTJW-VIFPVBQESA-N -1 0 294.307 2.074 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)CC(=O)[O-] ZINC000844217938 640635227 /nfs/dbraw/zinc/63/52/27/640635227.db2.gz HLBSPEUAWZXKMO-QMMMGPOBSA-N -1 0 280.280 2.320 20 5 CEBDRM O=C([O-])C1([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC000844838251 640849534 /nfs/dbraw/zinc/84/95/34/640849534.db2.gz JGLYBQKBPXFOMV-UHFFFAOYSA-N -1 0 294.307 2.178 20 5 CEBDRM O=C(OCCOc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918489268 640961384 /nfs/dbraw/zinc/96/13/84/640961384.db2.gz HMAAMKHBINBUBO-UHFFFAOYSA-N -1 0 276.248 2.159 20 5 CEBDRM C[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC(C)(C)C1=O ZINC000847933570 641839402 /nfs/dbraw/zinc/83/94/02/641839402.db2.gz VHPYSQYSGAPMSC-IUCAKERBSA-N -1 0 294.307 2.474 20 5 CEBDRM CC(C)Oc1[n-]c(=NOC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000848688304 642101145 /nfs/dbraw/zinc/10/11/45/642101145.db2.gz KRVFRZDYKJMDAV-SNVBAGLBSA-N -1 0 297.311 2.157 20 5 CEBDRM CCC(C)(C)[C@@H](O)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000859767123 645597429 /nfs/dbraw/zinc/59/74/29/645597429.db2.gz SCUGQNHCGXYRBN-LBPRGKRZSA-N -1 0 297.307 2.141 20 5 CEBDRM CO[C@H]1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000863482480 646739662 /nfs/dbraw/zinc/73/96/62/646739662.db2.gz IPHHQFNEKDMICV-FWYRTDKUSA-N -1 0 292.291 2.282 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000871033686 648985194 /nfs/dbraw/zinc/98/51/94/648985194.db2.gz FHTCLWVUJYZYOM-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871521885 649096350 /nfs/dbraw/zinc/09/63/50/649096350.db2.gz WKFWAGBENFMAKP-TXEJJXNPSA-N -1 0 288.303 2.339 20 5 CEBDRM Cc1ccc(N[C@H]2C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693377932 802871025 /nfs/dbraw/zinc/87/10/25/802871025.db2.gz GYHKKEKIVOMOQV-DTORHVGOSA-N -1 0 250.254 2.178 20 5 CEBDRM Cc1cccc(N[C@@H]2CC=C(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000694984506 803601894 /nfs/dbraw/zinc/60/18/94/803601894.db2.gz HZQQCMGHAMDGHN-SNVBAGLBSA-N -1 0 262.265 2.489 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(CF)CCC1 ZINC001118198077 814993050 /nfs/dbraw/zinc/99/30/50/814993050.db2.gz SCIDXUWEIMETIM-UHFFFAOYSA-N -1 0 283.255 2.483 20 5 CEBDRM Cc1c(C(=O)N(C)C(C)(C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001118751554 815040306 /nfs/dbraw/zinc/04/03/06/815040306.db2.gz HLDSBLKUKIJCIC-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000693433727 808846437 /nfs/dbraw/zinc/84/64/37/808846437.db2.gz XRWAYJPRNNDRAR-BDAKNGLRSA-N -1 0 282.271 2.281 20 5 CEBDRM C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@]1(F)Cl ZINC000821865226 813712544 /nfs/dbraw/zinc/71/25/44/813712544.db2.gz IYRRPZYTSPZIRX-ZJUUUORDSA-N -1 0 276.651 2.394 20 5 CEBDRM CCc1nnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC001176672242 816452701 /nfs/dbraw/zinc/45/27/01/816452701.db2.gz KHPYLALMMHABTD-UHFFFAOYSA-N -1 0 294.292 2.451 20 5 CEBDRM Nc1cc(F)cnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176675393 816454199 /nfs/dbraw/zinc/45/41/99/816454199.db2.gz VOQYXJSRNGWGAF-UHFFFAOYSA-N -1 0 292.226 2.153 20 5 CEBDRM O=C([O-])c1cc(Nc2cn(CCF)cn2)cc([N+](=O)[O-])c1 ZINC001176678325 816454266 /nfs/dbraw/zinc/45/42/66/816454266.db2.gz NAZKHBGAMOXJCG-UHFFFAOYSA-N -1 0 294.242 2.203 20 5 CEBDRM CSC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000601690984 346879992 /nfs/dbraw/zinc/87/99/92/346879992.db2.gz CXWIICCFGCZLCW-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000601930622 346928575 /nfs/dbraw/zinc/92/85/75/346928575.db2.gz BDSJWQOMTBYMLP-GZMMTYOYSA-N -1 0 259.265 2.344 20 5 CEBDRM C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000038000091 343433044 /nfs/dbraw/zinc/43/30/44/343433044.db2.gz QSSVROSQTWQGQC-MRVPVSSYSA-N -1 0 250.254 2.282 20 5 CEBDRM CC(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000067174246 343731201 /nfs/dbraw/zinc/73/12/01/343731201.db2.gz ZZOGZGRBOLYRIY-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC(C)C)n1 ZINC000567980515 299103860 /nfs/dbraw/zinc/10/38/60/299103860.db2.gz CLNISWMMZJUPEZ-UHFFFAOYSA-N -1 0 267.285 2.089 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000133726546 344370082 /nfs/dbraw/zinc/37/00/82/344370082.db2.gz AWYVBKYMDVCDJX-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000050195929 362409728 /nfs/dbraw/zinc/40/97/28/362409728.db2.gz SFHVXVZJJOAAQN-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000054297541 362524067 /nfs/dbraw/zinc/52/40/67/362524067.db2.gz HQMTUPKBPCLNRW-JTQLQIEISA-N -1 0 264.281 2.286 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CCC(C)C)n1 ZINC000592968826 345417165 /nfs/dbraw/zinc/41/71/65/345417165.db2.gz UFFLHBAHUBISIQ-UHFFFAOYSA-N -1 0 281.312 2.479 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000592970135 345417358 /nfs/dbraw/zinc/41/73/58/345417358.db2.gz KATRJZGBRXOMJI-LLVKDONJSA-N -1 0 294.307 2.060 20 5 CEBDRM CC[C@]1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592976023 345417797 /nfs/dbraw/zinc/41/77/97/345417797.db2.gz PXWYNVHTFASCMR-CQSZACIVSA-N -1 0 294.307 2.298 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(C2(O)CC2)CC1 ZINC000593044415 345427988 /nfs/dbraw/zinc/42/79/88/345427988.db2.gz HLEFYCWAVJORQV-UHFFFAOYSA-N -1 0 292.335 2.037 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC12CCCC2 ZINC000593762800 345534409 /nfs/dbraw/zinc/53/44/09/345534409.db2.gz YGYBZSMVGQGOBD-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM COCC1(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000593946838 345555066 /nfs/dbraw/zinc/55/50/66/345555066.db2.gz LREBFZOAXXTQQQ-UHFFFAOYSA-N -1 0 294.307 2.440 20 5 CEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000594540905 345645294 /nfs/dbraw/zinc/64/52/94/345645294.db2.gz LJHXZAGOLRTBHS-ZETCQYMHSA-N -1 0 258.299 2.425 20 5 CEBDRM Cc1cc(N2CC[C@H]3C[C@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000595277453 345753356 /nfs/dbraw/zinc/75/33/56/345753356.db2.gz JRJDTPRZNARIKV-UWVGGRQHSA-N -1 0 276.292 2.448 20 5 CEBDRM C[C@@]1(C2CC2)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000595624616 345831174 /nfs/dbraw/zinc/83/11/74/345831174.db2.gz DTLUNPSKSIHZMW-HNNXBMFYSA-N -1 0 292.335 2.301 20 5 CEBDRM CC1C[C@H]2CC[C@@H](C1)N2c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596537974 346049287 /nfs/dbraw/zinc/04/92/87/346049287.db2.gz NTZPLDHVKCFUSS-PBINXNQUSA-N -1 0 263.297 2.463 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178471441 232374320 /nfs/dbraw/zinc/37/43/20/232374320.db2.gz BOEYGXZLUPECQB-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000179000355 232385846 /nfs/dbraw/zinc/38/58/46/232385846.db2.gz ILQDXQQFQMGOCO-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000597830472 346237178 /nfs/dbraw/zinc/23/71/78/346237178.db2.gz WJIGMVLHROVRTF-ONGXEEELSA-N -1 0 276.292 2.315 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598550653 346373486 /nfs/dbraw/zinc/37/34/86/346373486.db2.gz MMPRWZUQIMWAEU-SECBINFHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598785019 346420084 /nfs/dbraw/zinc/42/00/84/346420084.db2.gz WGNYLTQWKJGWDN-QMMMGPOBSA-N -1 0 286.234 2.076 20 5 CEBDRM CCC[C@@H](OCC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000599750689 346576894 /nfs/dbraw/zinc/57/68/94/346576894.db2.gz KWRBYTUIKXGXGZ-GFCCVEGCSA-N -1 0 282.296 2.444 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OCC ZINC000600175061 346615311 /nfs/dbraw/zinc/61/53/11/346615311.db2.gz OKAFYRGJRCAXDQ-ZDUSSCGKSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000339243754 215035369 /nfs/dbraw/zinc/03/53/69/215035369.db2.gz NIVPTTWROZKQOA-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CO[C@H](C)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000600839845 346699048 /nfs/dbraw/zinc/69/90/48/346699048.db2.gz RONKAQONIDQADL-SNVBAGLBSA-N -1 0 296.323 2.186 20 5 CEBDRM CC(C)(C)c1cn(Cc2cc([O-])ccc2[N+](=O)[O-])nn1 ZINC000603227699 347315479 /nfs/dbraw/zinc/31/54/79/347315479.db2.gz WFGAUSGAYGXSNM-UHFFFAOYSA-N -1 0 276.296 2.238 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccncc1 ZINC000603920727 347398211 /nfs/dbraw/zinc/39/82/11/347398211.db2.gz GAFMWGYSCMWSPE-UHFFFAOYSA-N -1 0 282.259 2.131 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cnoc1 ZINC000610500394 347686703 /nfs/dbraw/zinc/68/67/03/347686703.db2.gz YIAXDTNUBUKVRE-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1F ZINC000611559628 347794838 /nfs/dbraw/zinc/79/48/38/347794838.db2.gz SYRXEFNAMZKHFH-PELKAZGASA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(Nc1ccc2nccn2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535009 347792378 /nfs/dbraw/zinc/79/23/78/347792378.db2.gz VNTPVBQDMPZODO-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC12CCOCC2 ZINC000376845116 304003425 /nfs/dbraw/zinc/00/34/25/304003425.db2.gz WDPKXUGXDWPYKC-SNVBAGLBSA-N -1 0 292.291 2.056 20 5 CEBDRM CC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCOCC1 ZINC000614271659 348171448 /nfs/dbraw/zinc/17/14/48/348171448.db2.gz AMRAYVZZVYHESN-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM C/C(=C\COc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000088629793 179644385 /nfs/dbraw/zinc/64/43/85/179644385.db2.gz MCRIOMFZZQYJES-QPJJXVBHSA-N -1 0 255.201 2.144 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(F)c(F)c2)[nH]1 ZINC000352012276 219288724 /nfs/dbraw/zinc/28/87/24/219288724.db2.gz ALYZRHPVXYRVJE-RQOWECAXSA-N -1 0 295.201 2.245 20 5 CEBDRM COc1ccsc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000352013610 219290189 /nfs/dbraw/zinc/29/01/89/219290189.db2.gz KZFKHHSVLPHBAI-IHWYPQMZSA-N -1 0 295.276 2.037 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1C ZINC000092090943 180322159 /nfs/dbraw/zinc/32/21/59/180322159.db2.gz DZOBVJBCORSKPX-IUCAKERBSA-N -1 0 264.281 2.385 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109093368 186243332 /nfs/dbraw/zinc/24/33/32/186243332.db2.gz XIQVISUALGEHLJ-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM CC(C)n1cnc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000337064381 366005117 /nfs/dbraw/zinc/00/51/17/366005117.db2.gz VLOFGTWISCWXPO-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CC(C)OCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000121933665 187006027 /nfs/dbraw/zinc/00/60/27/187006027.db2.gz KPWXHPMIATUZOC-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C(F)F ZINC000338181520 366223986 /nfs/dbraw/zinc/22/39/86/366223986.db2.gz UIEUQQUXFVNORS-NKWVEPMBSA-N -1 0 272.207 2.140 20 5 CEBDRM O=C([O-])C1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416443505 304042762 /nfs/dbraw/zinc/04/27/62/304042762.db2.gz VSIGMPLVCXWUKW-UHFFFAOYSA-N -1 0 291.090 2.422 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CC=CCC2)n1 ZINC000570399094 299257205 /nfs/dbraw/zinc/25/72/05/299257205.db2.gz ANKHVCOPOUGBJX-JTQLQIEISA-N -1 0 291.307 2.187 20 5 CEBDRM COC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570572853 299265335 /nfs/dbraw/zinc/26/53/35/299265335.db2.gz GLJKMQOKTSRLHT-SNVBAGLBSA-N -1 0 294.307 2.074 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000408417068 291117909 /nfs/dbraw/zinc/11/79/09/291117909.db2.gz XEGFNTWSGNZCMK-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H](F)CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000338754527 366504418 /nfs/dbraw/zinc/50/44/18/366504418.db2.gz MBCLSCBTRATKQA-MRVPVSSYSA-N -1 0 280.259 2.227 20 5 CEBDRM Cc1cc(N[C@@H](C)C[C@@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581550558 366794031 /nfs/dbraw/zinc/79/40/31/366794031.db2.gz FGNPQZKYSGWELX-DTWKUNHWSA-N -1 0 282.296 2.173 20 5 CEBDRM Cc1ccoc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089530808 363976757 /nfs/dbraw/zinc/97/67/57/363976757.db2.gz UBZYUWMLPUBABM-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM CC[C@@H](C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546687 364080258 /nfs/dbraw/zinc/08/02/58/364080258.db2.gz YMPLSNQAHBEKGI-MRVPVSSYSA-N -1 0 268.269 2.054 20 5 CEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000092548745 364081010 /nfs/dbraw/zinc/08/10/10/364081010.db2.gz RKISLARLYDZIIF-ZETCQYMHSA-N -1 0 250.254 2.285 20 5 CEBDRM COC[C@H](C)N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572410342 299365856 /nfs/dbraw/zinc/36/58/56/299365856.db2.gz XIPVIWNHQKQQPK-VIFPVBQESA-N -1 0 282.296 2.073 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000161123431 367059318 /nfs/dbraw/zinc/05/93/18/367059318.db2.gz CCCHOMZWUFJXHD-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CC[C@H](F)C3)[n-]2)cc1 ZINC000340874981 367069262 /nfs/dbraw/zinc/06/92/62/367069262.db2.gz LCLXGZKKUKUTAH-UWVGGRQHSA-N -1 0 292.270 2.369 20 5 CEBDRM CO[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC000583696075 367085412 /nfs/dbraw/zinc/08/54/12/367085412.db2.gz DHJLHODRQNQMSZ-CYBMUJFWSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCS1 ZINC000163124228 367219721 /nfs/dbraw/zinc/21/97/21/367219721.db2.gz AODPUWHTGQOXEP-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM CC[C@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000166103295 367318494 /nfs/dbraw/zinc/31/84/94/367318494.db2.gz LHSDGAVMYZRPOU-KOLCDFICSA-N -1 0 294.307 2.444 20 5 CEBDRM Cc1cnc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000343071452 367657974 /nfs/dbraw/zinc/65/79/74/367657974.db2.gz ANFRBVYZVZQNPB-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000345067899 368144621 /nfs/dbraw/zinc/14/46/21/368144621.db2.gz PWBLETAFPWRTGN-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CCO[N-]C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181995355 368513748 /nfs/dbraw/zinc/51/37/48/368513748.db2.gz BYLSNYFRAJWVDF-UHFFFAOYSA-N -1 0 290.728 2.408 20 5 CEBDRM Cc1cccc(C(=O)Nc2ncccc2[O-])c1[N+](=O)[O-] ZINC000194833777 370078154 /nfs/dbraw/zinc/07/81/54/370078154.db2.gz PQJTUDGQHJMUDG-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCc1[nH]ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000354521058 370396922 /nfs/dbraw/zinc/39/69/22/370396922.db2.gz MHZZOVGNUGNIEW-UHFFFAOYSA-N -1 0 275.264 2.443 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269104813 372342701 /nfs/dbraw/zinc/34/27/01/372342701.db2.gz AXMYOYJCRSTCJC-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269207094 372377599 /nfs/dbraw/zinc/37/75/99/372377599.db2.gz URLWRHIXHHCHQE-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM CN(CCC1CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272656692 373604825 /nfs/dbraw/zinc/60/48/25/373604825.db2.gz GJWRFENEEXPMKL-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)S1 ZINC000380531820 375164297 /nfs/dbraw/zinc/16/42/97/375164297.db2.gz UEDDKWUFKGPGBA-HTQZYQBOSA-N -1 0 297.336 2.018 20 5 CEBDRM CC[C@@H](C)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000381717020 375178543 /nfs/dbraw/zinc/17/85/43/375178543.db2.gz SUWYWZJFKQBBBM-SCZZXKLOSA-N -1 0 297.311 2.161 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000386860650 375267893 /nfs/dbraw/zinc/26/78/93/375267893.db2.gz CBPSWTOCTQVDBV-LLVKDONJSA-N -1 0 276.292 2.363 20 5 CEBDRM CC[C@H](O)CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000398569498 375351861 /nfs/dbraw/zinc/35/18/61/375351861.db2.gz OQDIXIHUNXRJSV-JTQLQIEISA-N -1 0 282.296 2.256 20 5 CEBDRM C[C@@H]1[C@H](C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]1C ZINC000399740857 375367801 /nfs/dbraw/zinc/36/78/01/375367801.db2.gz NLTFZQMCRVISSC-HLTSFMKQSA-N -1 0 279.296 2.169 20 5 CEBDRM CC1(C)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408158434 375420270 /nfs/dbraw/zinc/42/02/70/375420270.db2.gz KPXALTMOZPBQQZ-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345997506 217775740 /nfs/dbraw/zinc/77/57/40/217775740.db2.gz VAJFECWTEGEGHO-GFCCVEGCSA-N -1 0 296.348 2.316 20 5 CEBDRM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430088 377128373 /nfs/dbraw/zinc/12/83/73/377128373.db2.gz MHLDDGSTMPQVPX-MFKMUULPSA-N -1 0 280.324 2.300 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000424965389 377312647 /nfs/dbraw/zinc/31/26/47/377312647.db2.gz GAOWTNWGUSSEKK-CMPLNLGQSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccn1 ZINC000184971089 249334876 /nfs/dbraw/zinc/33/48/76/249334876.db2.gz VUFXWKHDHGVWEC-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM C[C@@H]1COCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574456693 299497639 /nfs/dbraw/zinc/49/76/39/299497639.db2.gz RQFBQTBFOOJBEW-NXEZZACHSA-N -1 0 294.307 2.378 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000295647104 378250446 /nfs/dbraw/zinc/25/04/46/378250446.db2.gz ULFVOOVAWHZJPY-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM CCOCCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000514674602 379136708 /nfs/dbraw/zinc/13/67/08/379136708.db2.gz FJADVIYSZCNRBW-UHFFFAOYSA-N -1 0 296.323 2.451 20 5 CEBDRM Cc1cc(=NC(=O)/C=C/c2ccccc2[N+](=O)[O-])[n-]nc1C ZINC000491866080 380364788 /nfs/dbraw/zinc/36/47/88/380364788.db2.gz HQGZIIAKBALGMF-BQYQJAHWSA-N -1 0 298.302 2.075 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@H]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000574880436 299535715 /nfs/dbraw/zinc/53/57/15/299535715.db2.gz LCGJUVVXROXCCZ-NSHDSACASA-N -1 0 294.307 2.203 20 5 CEBDRM CC1=CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000262190895 131199403 /nfs/dbraw/zinc/19/94/03/131199403.db2.gz STWNDMYPGUQRHA-UHFFFAOYSA-N -1 0 290.275 2.085 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000308566538 394528051 /nfs/dbraw/zinc/52/80/51/394528051.db2.gz OEXXXRWIDHCRFF-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132181953 394926184 /nfs/dbraw/zinc/92/61/84/394926184.db2.gz WJRFXNUFWSPRLA-SCZZXKLOSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000416426303 395061729 /nfs/dbraw/zinc/06/17/29/395061729.db2.gz LSOAOEBQWQNEED-LURJTMIESA-N -1 0 290.222 2.471 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436561694 395128087 /nfs/dbraw/zinc/12/80/87/395128087.db2.gz IQOMQKQWSJDCFV-MWLCHTKSSA-N -1 0 278.308 2.466 20 5 CEBDRM Cc1cnc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC000427458179 395113061 /nfs/dbraw/zinc/11/30/61/395113061.db2.gz WTGRCKMGDMIFIX-UHFFFAOYSA-N -1 0 299.286 2.207 20 5 CEBDRM Cc1ncc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000436958724 395169050 /nfs/dbraw/zinc/16/90/50/395169050.db2.gz JNXIVWCUCQOYAM-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC[C@@H](C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000394337428 395206040 /nfs/dbraw/zinc/20/60/40/395206040.db2.gz ZBOJHHZKVFHQTA-KCJUWKMLSA-N -1 0 297.311 2.161 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000296741699 395326581 /nfs/dbraw/zinc/32/65/81/395326581.db2.gz ASXMWAHEKLINFV-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000566276423 395509327 /nfs/dbraw/zinc/50/93/27/395509327.db2.gz LUKPYBHIYXFRKI-DTWKUNHWSA-N -1 0 282.271 2.311 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000566478115 395529336 /nfs/dbraw/zinc/52/93/36/395529336.db2.gz NYDPWTLTFYPAEZ-UHFFFAOYSA-N -1 0 297.311 2.078 20 5 CEBDRM CC(C)c1n[n-]c(=NCCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000450224532 395568684 /nfs/dbraw/zinc/56/86/84/395568684.db2.gz BSKRGHJKGUNRCY-UHFFFAOYSA-N -1 0 291.311 2.047 20 5 CEBDRM CCCN(CC(=O)[O-])c1nc2ccccc2cc1[N+](=O)[O-] ZINC000263405787 154080579 /nfs/dbraw/zinc/08/05/79/154080579.db2.gz KNTVDBZDPZEKSF-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)[O-])CC1 ZINC000263520261 154111319 /nfs/dbraw/zinc/11/13/19/154111319.db2.gz QNXLUBDHJGGEER-UHFFFAOYSA-N -1 0 292.291 2.098 20 5 CEBDRM CC(C)C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000263527750 154117959 /nfs/dbraw/zinc/11/79/59/154117959.db2.gz UUOMWLJXIUCAQH-LLVKDONJSA-N -1 0 292.295 2.382 20 5 CEBDRM O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000013168184 170538326 /nfs/dbraw/zinc/53/83/26/170538326.db2.gz NQJRHRNMLJDXCF-UHFFFAOYSA-N -1 0 292.291 2.112 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000035407122 172178289 /nfs/dbraw/zinc/17/82/89/172178289.db2.gz GNNZHSCTSYGJKE-SSDOTTSWSA-N -1 0 261.237 2.028 20 5 CEBDRM Cc1cc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000043570332 175068045 /nfs/dbraw/zinc/06/80/45/175068045.db2.gz FGPUCDORTDBULP-SECBINFHSA-N -1 0 295.295 2.088 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000235638030 270315392 /nfs/dbraw/zinc/31/53/92/270315392.db2.gz FPCZCHYFNQDXOS-IUCAKERBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(CC(F)F)C1 ZINC000425072915 271119834 /nfs/dbraw/zinc/11/98/34/271119834.db2.gz DQTKZRCZYFSVAZ-UHFFFAOYSA-N -1 0 286.234 2.028 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436832537 271691135 /nfs/dbraw/zinc/69/11/35/271691135.db2.gz SAMMFRWNRWJRMM-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263066178 279165752 /nfs/dbraw/zinc/16/57/52/279165752.db2.gz OBQISLIYXGTQAX-SECBINFHSA-N -1 0 281.312 2.336 20 5 CEBDRM O=C([O-])CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194805204 280195577 /nfs/dbraw/zinc/19/55/77/280195577.db2.gz VAJOYMXGYPDPHR-UHFFFAOYSA-N -1 0 294.288 2.014 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccnc1 ZINC000152659417 289095612 /nfs/dbraw/zinc/09/56/12/289095612.db2.gz ZQBZNYOJWLOCOG-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000456884045 289687106 /nfs/dbraw/zinc/68/71/06/289687106.db2.gz RCWJXAHOONSNNF-ONGXEEELSA-N -1 0 276.292 2.076 20 5 CEBDRM CC(C)[C@H](C)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166784588 297465850 /nfs/dbraw/zinc/46/58/50/297465850.db2.gz NFHAJILKHQRMCV-MRVPVSSYSA-N -1 0 267.285 2.392 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000155186328 304531414 /nfs/dbraw/zinc/53/14/14/304531414.db2.gz BNHXWVKOXUYBRB-PHIMTYICSA-N -1 0 276.292 2.173 20 5 CEBDRM C[C@@H](F)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566296998 298964121 /nfs/dbraw/zinc/96/41/21/298964121.db2.gz JYBJLEUNUNWBAC-SSDOTTSWSA-N -1 0 256.233 2.453 20 5 CEBDRM CN(CC[C@H]1CCCO1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000566799981 299023047 /nfs/dbraw/zinc/02/30/47/299023047.db2.gz QMFJYPPHVWOMPS-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000191575796 300385579 /nfs/dbraw/zinc/38/55/79/300385579.db2.gz OWBFLKYMJBDDML-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516774436 313094057 /nfs/dbraw/zinc/09/40/57/313094057.db2.gz RCMWXWHCFKCWIF-JTQLQIEISA-N -1 0 294.307 2.440 20 5 CEBDRM O=C(NCCCC1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544499540 313471966 /nfs/dbraw/zinc/47/19/66/313471966.db2.gz MSVMEUHLZRSWFQ-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000569605899 314003548 /nfs/dbraw/zinc/00/35/48/314003548.db2.gz UUDXVYSURUFXKK-MNOVXSKESA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)C2CC2)n1 ZINC000570634718 314050126 /nfs/dbraw/zinc/05/01/26/314050126.db2.gz FHOIMMUTKDBCDI-ZETCQYMHSA-N -1 0 265.269 2.207 20 5 CEBDRM CC1(C)C[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000571926313 314111691 /nfs/dbraw/zinc/11/16/91/314111691.db2.gz NZIGQEKODAWTOZ-NSHDSACASA-N -1 0 264.281 2.432 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC000576253233 314257318 /nfs/dbraw/zinc/25/73/18/314257318.db2.gz ZZNVFKNZBPCLSQ-LLVKDONJSA-N -1 0 293.323 2.298 20 5 CEBDRM O=C(NC1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000576826973 314314919 /nfs/dbraw/zinc/31/49/19/314314919.db2.gz WPHJQLQLHPBWMH-UHFFFAOYSA-N -1 0 270.672 2.236 20 5 CEBDRM O=C([O-])c1cc(N2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000577116912 314342983 /nfs/dbraw/zinc/34/29/83/314342983.db2.gz GLETYDWIJBQQEF-MRVPVSSYSA-N -1 0 268.244 2.231 20 5 CEBDRM CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000577614744 314395176 /nfs/dbraw/zinc/39/51/76/314395176.db2.gz QBALIDQZRAMHBS-LLVKDONJSA-N -1 0 294.307 2.217 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006224657 321693322 /nfs/dbraw/zinc/69/33/22/321693322.db2.gz UYESJBWVSXLQHH-KWQFWETISA-N -1 0 295.295 2.216 20 5 CEBDRM C[C@H]1CC(C)(C)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000581432031 322396037 /nfs/dbraw/zinc/39/60/37/322396037.db2.gz GJWRUGCJOSCBRG-QMMMGPOBSA-N -1 0 279.296 2.313 20 5 CEBDRM O=C([O-])CCC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000050924193 527575372 /nfs/dbraw/zinc/57/53/72/527575372.db2.gz KSMODHBWZYWJSW-UHFFFAOYSA-N -1 0 279.296 2.071 20 5 CEBDRM O=C([O-])CCCCNc1cccc(F)c1[N+](=O)[O-] ZINC000070200215 527584268 /nfs/dbraw/zinc/58/42/68/527584268.db2.gz BGUUUCGFDIIDOU-UHFFFAOYSA-N -1 0 256.233 2.401 20 5 CEBDRM CC(C)Oc1ccc(=NCc2cccc([N+](=O)[O-])c2)[n-]n1 ZINC000357714288 528134134 /nfs/dbraw/zinc/13/41/34/528134134.db2.gz VCTJWGDIXSPTSP-UHFFFAOYSA-N -1 0 288.307 2.206 20 5 CEBDRM CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179385070 528802727 /nfs/dbraw/zinc/80/27/27/528802727.db2.gz MCHXWPBDEHLAGD-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=Cc1cccc(-c2nc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000874972558 649877984 /nfs/dbraw/zinc/87/79/84/649877984.db2.gz DQUSDNOZLRESTD-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739057871 574891532 /nfs/dbraw/zinc/89/15/32/574891532.db2.gz JPPQSDRPGBJBGJ-QWRGUYRKSA-N -1 0 293.323 2.340 20 5 CEBDRM C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739186010 574898436 /nfs/dbraw/zinc/89/84/36/574898436.db2.gz CPBJKQCVSVDUFL-DTORHVGOSA-N -1 0 299.352 2.229 20 5 CEBDRM CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000739440466 574918850 /nfs/dbraw/zinc/91/88/50/574918850.db2.gz YPFMMSUJSOOGPQ-UHFFFAOYSA-N -1 0 271.248 2.146 20 5 CEBDRM Cc1cc(N[C@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740091886 574942055 /nfs/dbraw/zinc/94/20/55/574942055.db2.gz UDZLHUWHBWHAAQ-JTQLQIEISA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)CC(C)(C)NC(=O)[O-] ZINC000740157989 574945623 /nfs/dbraw/zinc/94/56/23/574945623.db2.gz DYCUWSOAWDSNDL-UHFFFAOYSA-N -1 0 296.279 2.245 20 5 CEBDRM O=C(OCCOCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000741123107 574977034 /nfs/dbraw/zinc/97/70/34/574977034.db2.gz GJMXKMUDHAQXCL-UHFFFAOYSA-N -1 0 290.275 2.297 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000050195965 596944736 /nfs/dbraw/zinc/94/47/36/596944736.db2.gz DXPLGXZKPKCZTJ-UHFFFAOYSA-N -1 0 295.295 2.360 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000218139020 597195557 /nfs/dbraw/zinc/19/55/57/597195557.db2.gz ITIILZILHMOGKD-LLVKDONJSA-N -1 0 295.295 2.134 20 5 CEBDRM C/C(=C\COC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000825781475 601405203 /nfs/dbraw/zinc/40/52/03/601405203.db2.gz WDCAOUQQSNLBAN-RMKNXTFCSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1cc(N2C[C@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111253621 601564027 /nfs/dbraw/zinc/56/40/27/601564027.db2.gz YRRPYSAAARHOSE-GXSJLCMTSA-N -1 0 264.281 2.060 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC(C)(C)C(=O)[O-])c1 ZINC000137488502 601680734 /nfs/dbraw/zinc/68/07/34/601680734.db2.gz JGWYIWGZWLLHHX-UHFFFAOYSA-N -1 0 252.270 2.426 20 5 CEBDRM Cc1cc(F)cc(C(=O)NCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000237621973 601845913 /nfs/dbraw/zinc/84/59/13/601845913.db2.gz CHXDQCNWJUHZHO-UHFFFAOYSA-N -1 0 298.270 2.027 20 5 CEBDRM CC(C)[C@H](C)OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000826681271 602042823 /nfs/dbraw/zinc/04/28/23/602042823.db2.gz OJLSUCKHNBWNJA-QMMMGPOBSA-N -1 0 281.264 2.494 20 5 CEBDRM CN(C[C@H]1CCCN1c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000828236489 603202879 /nfs/dbraw/zinc/20/28/79/603202879.db2.gz RDEZHOKGRGBNJM-SNVBAGLBSA-N -1 0 279.296 2.173 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000739927739 603233495 /nfs/dbraw/zinc/23/34/95/603233495.db2.gz NGYSGGDHRZSJDP-MRVPVSSYSA-N -1 0 283.259 2.288 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(SC[C@@H](C)C(=O)[O-])n1 ZINC000162580226 604266910 /nfs/dbraw/zinc/26/69/10/604266910.db2.gz ZBKLTKCYMADSSO-ZCFIWIBFSA-N -1 0 256.283 2.111 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cccc([N+](=O)[O-])c2C)O1 ZINC000833581041 604887641 /nfs/dbraw/zinc/88/76/41/604887641.db2.gz UDGFZKKDUKXSIK-SNVBAGLBSA-N -1 0 293.275 2.430 20 5 CEBDRM O=C([O-])N1CC(CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000834068401 605731078 /nfs/dbraw/zinc/73/10/78/605731078.db2.gz CPIOBQFPBYLAIH-UHFFFAOYSA-N -1 0 285.687 2.270 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000236440120 625649230 /nfs/dbraw/zinc/64/92/30/625649230.db2.gz ILRRGULLPNYGJF-LURJTMIESA-N -1 0 288.662 2.298 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000062843757 628216930 /nfs/dbraw/zinc/21/69/30/628216930.db2.gz GBQMLENOAPODPN-UHFFFAOYSA-N -1 0 282.271 2.425 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)nc2)[nH]1 ZINC000806562225 631753898 /nfs/dbraw/zinc/75/38/98/631753898.db2.gz FQMIDJJGGRLLFJ-IWQZZHSRSA-N -1 0 294.654 2.015 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000900988474 633917216 /nfs/dbraw/zinc/91/72/16/633917216.db2.gz XRTFGUAXVJFILV-CYBMUJFWSA-N -1 0 297.286 2.210 20 5 CEBDRM O=C([O-])[C@@]1(F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901513772 634170351 /nfs/dbraw/zinc/17/03/51/634170351.db2.gz DPEKGLCMPMXDHO-LYKUJDHUSA-N -1 0 294.282 2.107 20 5 CEBDRM COCC(COC)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000901855475 634341330 /nfs/dbraw/zinc/34/13/30/634341330.db2.gz NCMUETAAKTVZAR-UHFFFAOYSA-N -1 0 287.337 2.195 20 5 CEBDRM Cc1c([N-]S(=O)(=O)CC2(F)CC2)cccc1[N+](=O)[O-] ZINC000903615851 635181558 /nfs/dbraw/zinc/18/15/58/635181558.db2.gz PNTOPGNVAXJPIL-UHFFFAOYSA-N -1 0 288.300 2.147 20 5 CEBDRM C/C(=C\CNc1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000906149185 636626058 /nfs/dbraw/zinc/62/60/58/636626058.db2.gz POVHFTJDADCWTE-RMKNXTFCSA-N -1 0 250.254 2.346 20 5 CEBDRM CC1CC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000910355880 638025660 /nfs/dbraw/zinc/02/56/60/638025660.db2.gz ONCXVSLNZJCXBX-UHFFFAOYSA-N -1 0 264.281 2.432 20 5 CEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000910429191 638045710 /nfs/dbraw/zinc/04/57/10/638045710.db2.gz PJLFRLORFYBWQN-ZDUSSCGKSA-N -1 0 294.307 2.055 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC000910491193 638074013 /nfs/dbraw/zinc/07/40/13/638074013.db2.gz SHGGHFHIXRLBSC-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM O=C(OCCOCC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000835982616 638475498 /nfs/dbraw/zinc/47/54/98/638475498.db2.gz ZLYXHSNEZWGJJO-UHFFFAOYSA-N -1 0 282.296 2.287 20 5 CEBDRM CCCCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(=O)OC ZINC000836028427 638500884 /nfs/dbraw/zinc/50/08/84/638500884.db2.gz BTQGQPQDXYXKCT-JTQLQIEISA-N -1 0 298.295 2.202 20 5 CEBDRM CC[C@H]1CC[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837574512 639289123 /nfs/dbraw/zinc/28/91/23/639289123.db2.gz QPHBXDOHOWNLNV-WCQYABFASA-N -1 0 295.291 2.301 20 5 CEBDRM CS[C@@H](C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837599264 639303245 /nfs/dbraw/zinc/30/32/45/639303245.db2.gz AVPWSQRQRZPWSN-QMMMGPOBSA-N -1 0 285.321 2.485 20 5 CEBDRM CCC[C@H](OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837795958 639388164 /nfs/dbraw/zinc/38/81/64/639388164.db2.gz QCGVXMOZUSGIFR-LBPRGKRZSA-N -1 0 283.280 2.159 20 5 CEBDRM CC(C)C[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000232613303 639935230 /nfs/dbraw/zinc/93/52/30/639935230.db2.gz IQYMLDRWKOWVPB-JTQLQIEISA-N -1 0 282.296 2.112 20 5 CEBDRM COC[C@@H](C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207486 640631850 /nfs/dbraw/zinc/63/18/50/640631850.db2.gz KKKVELKKYSKADY-OAQKJQOQSA-N -1 0 294.307 2.387 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000844208506 640632265 /nfs/dbraw/zinc/63/22/65/640632265.db2.gz PVEZJAJMCCZIIY-UHFFFAOYSA-N -1 0 264.281 2.212 20 5 CEBDRM CC1=CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844211009 640633025 /nfs/dbraw/zinc/63/30/25/640633025.db2.gz QJEQCYVGCAYTPU-UHFFFAOYSA-N -1 0 276.292 2.378 20 5 CEBDRM CC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)O ZINC000844210724 640633139 /nfs/dbraw/zinc/63/31/39/640633139.db2.gz FRPLJRNYMAVMHP-YJNDWQGISA-N -1 0 294.307 2.264 20 5 CEBDRM O=C(OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918490150 640962228 /nfs/dbraw/zinc/96/22/28/640962228.db2.gz OUUDHKPWDBBXRA-UHFFFAOYSA-N -1 0 264.212 2.419 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2COC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000849348092 642339559 /nfs/dbraw/zinc/33/95/59/642339559.db2.gz HJIYEDLLPMVMKB-SNVBAGLBSA-N -1 0 292.291 2.417 20 5 CEBDRM O=C(OC[C@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000851411591 643010437 /nfs/dbraw/zinc/01/04/37/643010437.db2.gz AMHBKQJKIASGSZ-PSVAKVPMSA-N -1 0 250.254 2.126 20 5 CEBDRM CON(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000757628456 644827395 /nfs/dbraw/zinc/82/73/95/644827395.db2.gz KCMYTCXEHSXHKC-UHFFFAOYSA-N -1 0 280.280 2.247 20 5 CEBDRM C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000773384475 646731413 /nfs/dbraw/zinc/73/14/13/646731413.db2.gz AVHLNEXPICAWPC-AOOOYVTPSA-N -1 0 293.323 2.208 20 5 CEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1 ZINC000779674693 647337701 /nfs/dbraw/zinc/33/77/01/647337701.db2.gz KEQCBWPXHQNNIN-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000869599637 648528020 /nfs/dbraw/zinc/52/80/20/648528020.db2.gz CWCGYVFANRJQNQ-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC=C(Cl)C1 ZINC000404549650 803293900 /nfs/dbraw/zinc/29/39/00/803293900.db2.gz OUDXTTMHXGKSCC-UHFFFAOYSA-N -1 0 282.683 2.269 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1CC=C(C(=O)[O-])C1 ZINC000694983556 803601461 /nfs/dbraw/zinc/60/14/61/803601461.db2.gz DNBPZGMROREQNU-JTQLQIEISA-N -1 0 262.265 2.489 20 5 CEBDRM COC[C@@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1O ZINC001229755653 809070392 /nfs/dbraw/zinc/07/03/92/809070392.db2.gz ZGUUBSDHIGYLND-MNOVXSKESA-N -1 0 299.323 2.428 20 5 CEBDRM CCn1nc(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001169560741 811567104 /nfs/dbraw/zinc/56/71/04/811567104.db2.gz NWFGUSDLTZPKNJ-UHFFFAOYSA-N -1 0 290.279 2.078 20 5 CEBDRM Cc1ccc(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693513098 814623182 /nfs/dbraw/zinc/62/31/82/814623182.db2.gz BTGBYLNLPWDTML-WDEREUQCSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1[O-] ZINC001125250336 815643115 /nfs/dbraw/zinc/64/31/15/815643115.db2.gz XBMNMCLWFIROCQ-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM Cc1c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cnn1C ZINC001174502721 816029513 /nfs/dbraw/zinc/02/95/13/816029513.db2.gz ZBVOJNOYYJUZMS-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM Nc1ccc2ncn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2c1 ZINC001174504363 816030759 /nfs/dbraw/zinc/03/07/59/816030759.db2.gz ARGJCLHHVXINBT-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C([O-])c1cc(Nc2ccc(=O)[nH]c2)cc([N+](=O)[O-])c1 ZINC001176671815 816453108 /nfs/dbraw/zinc/45/31/08/816453108.db2.gz DRAJSTLNNMRNNJ-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM Cc1ncnc(C)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673466 816454214 /nfs/dbraw/zinc/45/42/14/816454214.db2.gz ZUNODKWFKLUEDG-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM COc1nscc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001176764576 816474589 /nfs/dbraw/zinc/47/45/89/816474589.db2.gz YYOSCWMVCQPCLA-UHFFFAOYSA-N -1 0 295.276 2.018 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179490900 529650651 /nfs/dbraw/zinc/65/06/51/529650651.db2.gz HZUCEYSIIOWQQM-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000567976913 299103300 /nfs/dbraw/zinc/10/33/00/299103300.db2.gz VKXKCCURMMYMQV-YFKPBYRVSA-N -1 0 293.201 2.298 20 5 CEBDRM Cc1cc(NC[C@H](CO)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978535 299103883 /nfs/dbraw/zinc/10/38/83/299103883.db2.gz JLNFEGAQYHNVKQ-SNVBAGLBSA-N -1 0 296.323 2.278 20 5 CEBDRM COCCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(F)F ZINC000092965792 344208274 /nfs/dbraw/zinc/20/82/74/344208274.db2.gz IFXMGQZDRWDDJP-UHFFFAOYSA-N -1 0 290.266 2.014 20 5 CEBDRM O=C([O-])C1(CNc2ncccc2[N+](=O)[O-])CCCC1 ZINC000137838486 344388382 /nfs/dbraw/zinc/38/83/82/344388382.db2.gz IBOXNYMSBKWFPQ-UHFFFAOYSA-N -1 0 265.269 2.047 20 5 CEBDRM Cc1cc(NC[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000147524733 344412415 /nfs/dbraw/zinc/41/24/15/344412415.db2.gz BDHCBPYCGSVTKH-MRVPVSSYSA-N -1 0 252.270 2.426 20 5 CEBDRM CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000232745195 344578767 /nfs/dbraw/zinc/57/87/67/344578767.db2.gz HIIQBJAOLSHJOY-QMMMGPOBSA-N -1 0 287.703 2.412 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000311411061 344734194 /nfs/dbraw/zinc/73/41/94/344734194.db2.gz YWVVDPQLWBTQKR-ZJUUUORDSA-N -1 0 264.281 2.142 20 5 CEBDRM CCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000311929396 344736398 /nfs/dbraw/zinc/73/63/98/344736398.db2.gz VSUWHFCCKWIKKU-MRVPVSSYSA-N -1 0 290.316 2.201 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000313328671 344742347 /nfs/dbraw/zinc/74/23/47/344742347.db2.gz KYQHSKOIUXLVRY-SSDOTTSWSA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(N[C@H]2CCOC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584617696 344965738 /nfs/dbraw/zinc/96/57/38/344965738.db2.gz ZZZFRVABPOSALK-CABZTGNLSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1F ZINC000586805241 345024250 /nfs/dbraw/zinc/02/42/50/345024250.db2.gz OAVRLCYMCSSXHJ-KCJUWKMLSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H]1C(F)(F)F ZINC000590377693 345132062 /nfs/dbraw/zinc/13/20/62/345132062.db2.gz KHWJFNAKZOCIEV-VIFPVBQESA-N -1 0 290.197 2.077 20 5 CEBDRM O=C(NC/C=C/c1cccnc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000590565905 345145934 /nfs/dbraw/zinc/14/59/34/345145934.db2.gz UCFGCMTWUKEPNK-DUXPYHPUSA-N -1 0 299.286 2.139 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000590913277 345198626 /nfs/dbraw/zinc/19/86/26/345198626.db2.gz ZMKZNCFEYVDZJG-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM CC[C@@]1(C)CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000592976022 345417814 /nfs/dbraw/zinc/41/78/14/345417814.db2.gz PXWYNVHTFASCMR-AWEZNQCLSA-N -1 0 294.307 2.298 20 5 CEBDRM Cc1cc(NC[C@@H]2CC[C@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592975441 345417819 /nfs/dbraw/zinc/41/78/19/345417819.db2.gz OPSMNECFAMAMIX-KOLCDFICSA-N -1 0 294.307 2.174 20 5 CEBDRM CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592975632 345417893 /nfs/dbraw/zinc/41/78/93/345417893.db2.gz WRCULPSFCFPYDF-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCC1 ZINC000592744400 345392062 /nfs/dbraw/zinc/39/20/62/345392062.db2.gz YLEGAKJKOHJXDY-UHFFFAOYSA-N -1 0 270.672 2.190 20 5 CEBDRM CCSC1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000595277220 345753466 /nfs/dbraw/zinc/75/34/66/345753466.db2.gz AMMZCTDDWDYJND-UHFFFAOYSA-N -1 0 297.336 2.386 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000185875072 299958187 /nfs/dbraw/zinc/95/81/87/299958187.db2.gz VYNJQTOUQQGCEL-VHSXEESVSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1nnc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000595886732 345906091 /nfs/dbraw/zinc/90/60/91/345906091.db2.gz YJYLJNJPPOLXOC-UHFFFAOYSA-N -1 0 294.336 2.092 20 5 CEBDRM Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1[N+](=O)[O-] ZINC000595985333 345921278 /nfs/dbraw/zinc/92/12/78/345921278.db2.gz HRJVCKHXEDWHAO-CQSZACIVSA-N -1 0 292.291 2.343 20 5 CEBDRM CO[C@@H]1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000597443867 346186931 /nfs/dbraw/zinc/18/69/31/346186931.db2.gz YSNRKKASQMOLGK-PSASIEDQSA-N -1 0 280.280 2.054 20 5 CEBDRM CCSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000598328332 346327439 /nfs/dbraw/zinc/32/74/39/346327439.db2.gz FKWQVDLBSKSGSU-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1(F)F ZINC000598217287 346308053 /nfs/dbraw/zinc/30/80/53/346308053.db2.gz UKBKBRZHRBPYAG-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM O=[N+]([O-])c1cccc(CN=c2[n-]nc(C(F)F)s2)c1 ZINC000336811188 365850212 /nfs/dbraw/zinc/85/02/12/365850212.db2.gz LKYXZSORPZWLIC-UHFFFAOYSA-N -1 0 286.263 2.418 20 5 CEBDRM CCc1noc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356302307 370649425 /nfs/dbraw/zinc/64/94/25/370649425.db2.gz ZTUFJPNBNPTBHG-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC(C)[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128555223 187377424 /nfs/dbraw/zinc/37/74/24/187377424.db2.gz PJIVLFFTDKGACF-QMMMGPOBSA-N -1 0 290.316 2.057 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000611534675 347792465 /nfs/dbraw/zinc/79/24/65/347792465.db2.gz KWTLMYHXDLSDPS-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](CC(C)C)C(=O)[O-] ZINC000336850034 365925676 /nfs/dbraw/zinc/92/56/76/365925676.db2.gz VNNAHGVWMVOXGG-SNVBAGLBSA-N -1 0 298.343 2.278 20 5 CEBDRM CCCN(CC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273380925 192132508 /nfs/dbraw/zinc/13/25/08/192132508.db2.gz MTCCPZOTMVYSBU-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431546 349179570 /nfs/dbraw/zinc/17/95/70/349179570.db2.gz TYSNLOCFWWAWQV-MEBBXXQBSA-N -1 0 292.335 2.300 20 5 CEBDRM O=C(Nc1ccn2ccnc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619866797 349240457 /nfs/dbraw/zinc/24/04/57/349240457.db2.gz ACBPPLOZRVVZAZ-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CCCN(CC(=O)[O-])c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000110624866 186306810 /nfs/dbraw/zinc/30/68/10/186306810.db2.gz LPBWDIBYNZUASK-UHFFFAOYSA-N -1 0 286.259 2.044 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000135466646 187832341 /nfs/dbraw/zinc/83/23/41/187832341.db2.gz VZTFLWCHXQEHAB-CABZTGNLSA-N -1 0 294.307 2.132 20 5 CEBDRM CC(C)(C)C[C@@H](O)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000292163180 198187283 /nfs/dbraw/zinc/18/72/83/198187283.db2.gz NGSUCLICKRGQLB-JTQLQIEISA-N -1 0 296.323 2.426 20 5 CEBDRM CCCN(CC)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262759088 535294097 /nfs/dbraw/zinc/29/40/97/535294097.db2.gz FMMYTIPREWYDPO-UHFFFAOYSA-N -1 0 280.280 2.165 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C[C@@H]21 ZINC000076483225 363542638 /nfs/dbraw/zinc/54/26/38/363542638.db2.gz LQRXSPOUHKGEIA-AOOOYVTPSA-N -1 0 276.292 2.028 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OC ZINC000452407897 283276015 /nfs/dbraw/zinc/27/60/15/283276015.db2.gz HVESHKBOIAFGIB-ZANVPECISA-N -1 0 296.323 2.091 20 5 CEBDRM CC(C)[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000570725135 299275035 /nfs/dbraw/zinc/27/50/35/299275035.db2.gz NKXVIHUVEVAYGN-ZDUSSCGKSA-N -1 0 294.307 2.154 20 5 CEBDRM COc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000136281884 366505945 /nfs/dbraw/zinc/50/59/45/366505945.db2.gz SKMWVMGQMQEOOB-UHFFFAOYSA-N -1 0 296.279 2.043 20 5 CEBDRM O=C([O-])CC1(Nc2ncc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000148401555 366581259 /nfs/dbraw/zinc/58/12/59/366581259.db2.gz XVPOIMASFQSQMZ-UHFFFAOYSA-N -1 0 285.687 2.453 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)c1ccccc1 ZINC000339080494 366644433 /nfs/dbraw/zinc/64/44/33/366644433.db2.gz DJYDHYPNYRRTJA-AWEZNQCLSA-N -1 0 288.303 2.124 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000579715015 366690101 /nfs/dbraw/zinc/69/01/01/366690101.db2.gz KXNZXRMSZDRUQU-NOZJJQNGSA-N -1 0 264.281 2.142 20 5 CEBDRM O=[N+]([O-])c1cccc(CCN=c2[n-]nc(C3CC3)s2)c1 ZINC000340076736 366763642 /nfs/dbraw/zinc/76/36/42/366763642.db2.gz FGYJYXTTZQWCRU-UHFFFAOYSA-N -1 0 290.348 2.400 20 5 CEBDRM O=C([O-])CCCCCNc1ncccc1[N+](=O)[O-] ZINC000019477207 361537084 /nfs/dbraw/zinc/53/70/84/361537084.db2.gz LYSLEIDXPZURIO-UHFFFAOYSA-N -1 0 253.258 2.047 20 5 CEBDRM O=C([O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000020353663 361583506 /nfs/dbraw/zinc/58/35/06/361583506.db2.gz PJIZQFHMPRJFGB-MRVPVSSYSA-N -1 0 268.244 2.035 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031715858 361717677 /nfs/dbraw/zinc/71/76/77/361717677.db2.gz VRUZAGRDWYWORO-SECBINFHSA-N -1 0 266.297 2.417 20 5 CEBDRM CC(C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000087506664 363857735 /nfs/dbraw/zinc/85/77/35/363857735.db2.gz AHKUVKNHNRJKSX-SSDOTTSWSA-N -1 0 298.324 2.073 20 5 CEBDRM O=C([O-])[C@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086729311 363838623 /nfs/dbraw/zinc/83/86/23/363838623.db2.gz OEIKFUWFFWVKOL-SECBINFHSA-N -1 0 270.310 2.095 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(C2CC2)on1 ZINC000092546367 364081098 /nfs/dbraw/zinc/08/10/98/364081098.db2.gz QJQNBLDUXPILNZ-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000094659095 364287180 /nfs/dbraw/zinc/28/71/80/364287180.db2.gz QCDRRAVBTKBXGH-CYBMUJFWSA-N -1 0 264.281 2.204 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000097065215 364438066 /nfs/dbraw/zinc/43/80/66/364438066.db2.gz PSDSJADLJGFUFW-SFYZADRCSA-N -1 0 268.244 2.399 20 5 CEBDRM O=C([O-])c1cnc(N[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000162448315 367160712 /nfs/dbraw/zinc/16/07/12/367160712.db2.gz IXNCKGOGWJBULN-VIFPVBQESA-N -1 0 263.253 2.209 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164086146 367276268 /nfs/dbraw/zinc/27/62/68/367276268.db2.gz ADQUEINQYDHZOS-QMMMGPOBSA-N -1 0 252.270 2.075 20 5 CEBDRM CC[C@@H](SC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166090929 367318674 /nfs/dbraw/zinc/31/86/74/367318674.db2.gz BTDSIYUAEFRQDI-SNVBAGLBSA-N -1 0 270.310 2.381 20 5 CEBDRM CSC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182067642 368521272 /nfs/dbraw/zinc/52/12/72/368521272.db2.gz JVJGGQSYINNKTF-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649467 368751575 /nfs/dbraw/zinc/75/15/75/368751575.db2.gz HTJFFZFGXXOBIX-MFKMUULPSA-N -1 0 296.348 2.343 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000185138341 368755011 /nfs/dbraw/zinc/75/50/11/368755011.db2.gz DRYRAFZLIFCTLB-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186134175 368924015 /nfs/dbraw/zinc/92/40/15/368924015.db2.gz YHENOIPANKGVKF-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1cncc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000187758111 369217887 /nfs/dbraw/zinc/21/78/87/369217887.db2.gz OWTOLPCWJLFBEV-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330788817 203237246 /nfs/dbraw/zinc/23/72/46/203237246.db2.gz YWGPIDKBDBHFGK-QMMMGPOBSA-N -1 0 252.270 2.171 20 5 CEBDRM Cc1c([N-]c2ncc([N+](=O)[O-])cn2)cnn1CC(C)C ZINC000354565212 370412594 /nfs/dbraw/zinc/41/25/94/370412594.db2.gz JVWDLPUVWRANFW-UHFFFAOYSA-N -1 0 276.300 2.289 20 5 CEBDRM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cn2)cc1C ZINC000354565731 370413036 /nfs/dbraw/zinc/41/30/36/370413036.db2.gz BSEVLBQXRDMHSE-MRVPVSSYSA-N -1 0 276.300 2.026 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000230921650 370470158 /nfs/dbraw/zinc/47/01/58/370470158.db2.gz FFUMHMQYEXHKQP-RQJHMYQMSA-N -1 0 285.687 2.308 20 5 CEBDRM Cc1cncc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000232078729 370500008 /nfs/dbraw/zinc/50/00/08/370500008.db2.gz XROFVMRYEUNMLX-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233858594 370525728 /nfs/dbraw/zinc/52/57/28/370525728.db2.gz IMMWDSLZAQRZEL-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])nc1 ZINC000235895251 370579212 /nfs/dbraw/zinc/57/92/12/370579212.db2.gz HTRWQKXCBKQMHE-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC000361663670 372012851 /nfs/dbraw/zinc/01/28/51/372012851.db2.gz VOMCOVARUQGRBU-UHFFFAOYSA-N -1 0 272.207 2.284 20 5 CEBDRM CCCN=c1[n-]nc(Sc2ccc([N+](=O)[O-])nc2)s1 ZINC000344427013 217190292 /nfs/dbraw/zinc/19/02/92/217190292.db2.gz YGBTWDQQQASUQP-UHFFFAOYSA-N -1 0 297.365 2.236 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272482849 373508160 /nfs/dbraw/zinc/50/81/60/373508160.db2.gz GCFKYWOLIYLQGB-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000272539334 373541717 /nfs/dbraw/zinc/54/17/17/373541717.db2.gz NOKDNMAODQXNNK-TXEJJXNPSA-N -1 0 276.292 2.028 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1c1cccnc1 ZINC000370032310 373562825 /nfs/dbraw/zinc/56/28/25/373562825.db2.gz KNPQXUOEHPHYGK-NWDGAFQWSA-N -1 0 299.286 2.438 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272600557 373575531 /nfs/dbraw/zinc/57/55/31/373575531.db2.gz QTEPDGSNZGMCRT-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272605480 373578053 /nfs/dbraw/zinc/57/80/53/373578053.db2.gz YIXSNBJPWNHXGF-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C([O-])c1cnc(N2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000380417351 375163043 /nfs/dbraw/zinc/16/30/43/375163043.db2.gz KHZJQZQOQOURSV-UHFFFAOYSA-N -1 0 277.280 2.068 20 5 CEBDRM CC[C@@H](C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000381717019 375178278 /nfs/dbraw/zinc/17/82/78/375178278.db2.gz SUWYWZJFKQBBBM-PSASIEDQSA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@H](N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1(C)CC1 ZINC000385165052 375229877 /nfs/dbraw/zinc/22/98/77/375229877.db2.gz CSCMNCPRKWBPCK-QMMMGPOBSA-N -1 0 279.296 2.313 20 5 CEBDRM C[C@@H]1[C@H](C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000399734686 375366010 /nfs/dbraw/zinc/36/60/10/375366010.db2.gz LNLGMNUDBVWOLE-HLTSFMKQSA-N -1 0 279.296 2.169 20 5 CEBDRM CCC(CC)(CO)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000563384153 377195239 /nfs/dbraw/zinc/19/52/39/377195239.db2.gz CQKHKWZGVDRWPO-UHFFFAOYSA-N -1 0 282.296 2.038 20 5 CEBDRM CN(CC1CCC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000332462855 377613722 /nfs/dbraw/zinc/61/37/22/377613722.db2.gz KNJSVVHZHOKLHR-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(C2CC2)no1 ZINC000442892655 378016679 /nfs/dbraw/zinc/01/66/79/378016679.db2.gz QDSNMTSYJQUOOY-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)NOC(C)C ZINC000296068163 378408351 /nfs/dbraw/zinc/40/83/51/378408351.db2.gz CXXCMOUEFDUKLZ-UHFFFAOYSA-N -1 0 269.257 2.065 20 5 CEBDRM CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])c(C)n2)cc1C ZINC000450428467 378411398 /nfs/dbraw/zinc/41/13/98/378411398.db2.gz WISPLGIGHDWHKS-QMMMGPOBSA-N -1 0 290.327 2.335 20 5 CEBDRM Cc1cc(NC[C@H](C)CCCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574881144 299535759 /nfs/dbraw/zinc/53/57/59/299535759.db2.gz SLGSGJXSJUPELJ-SECBINFHSA-N -1 0 296.323 2.422 20 5 CEBDRM CCc1ccc(C(=O)N(C)[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000575763720 299569171 /nfs/dbraw/zinc/56/91/71/299569171.db2.gz YTSFULDPWKLZAT-SECBINFHSA-N -1 0 294.307 2.092 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000263564401 131298216 /nfs/dbraw/zinc/29/82/16/131298216.db2.gz DYHNZPHHNRIEOK-VIFPVBQESA-N -1 0 292.291 2.165 20 5 CEBDRM O=C([O-])CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000093679898 135081974 /nfs/dbraw/zinc/08/19/74/135081974.db2.gz WVOXNMAQYKKBDM-UHFFFAOYSA-N -1 0 264.281 2.286 20 5 CEBDRM CC1(C)C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000216057053 394450529 /nfs/dbraw/zinc/45/05/29/394450529.db2.gz RCCUYGPYKQJZNC-VIFPVBQESA-N -1 0 295.295 2.058 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355641600 394485151 /nfs/dbraw/zinc/48/51/51/394485151.db2.gz HUZMGLSVKPWRPN-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436946024 395166939 /nfs/dbraw/zinc/16/69/39/395166939.db2.gz BTPWHLCEPQHMKR-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966612 395168125 /nfs/dbraw/zinc/16/81/25/395168125.db2.gz NWJMTKOEUIQBRF-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000398907926 395239272 /nfs/dbraw/zinc/23/92/72/395239272.db2.gz NKQMTTUMEWGEJH-KOLCDFICSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000295686796 395299703 /nfs/dbraw/zinc/29/97/03/395299703.db2.gz YYNQSGKBJHXVTN-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000360457813 155305796 /nfs/dbraw/zinc/30/57/96/155305796.db2.gz FKHNLNICZUKKMQ-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CC(=O)c1cc(N2CCC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000262143775 153918413 /nfs/dbraw/zinc/91/84/13/153918413.db2.gz QEFXSVLYOLKEJH-JTQLQIEISA-N -1 0 292.291 2.098 20 5 CEBDRM Cc1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000183326122 165390668 /nfs/dbraw/zinc/39/06/68/165390668.db2.gz JEGNBSIGNXUGTL-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM Cc1cc(N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000035277169 172097631 /nfs/dbraw/zinc/09/76/31/172097631.db2.gz IOJRJYVPTXHPGP-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000038026156 174011292 /nfs/dbraw/zinc/01/12/92/174011292.db2.gz UMVPRYFXHJOLDV-NSHDSACASA-N -1 0 292.291 2.064 20 5 CEBDRM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000040546305 174325078 /nfs/dbraw/zinc/32/50/78/174325078.db2.gz ZSEYPAOJKNOFHG-LLVKDONJSA-N -1 0 295.295 2.134 20 5 CEBDRM O=c1nc(Cc2ccc([N+](=O)[O-])cc2)[n-]c2ccsc21 ZINC000077251619 177239389 /nfs/dbraw/zinc/23/93/89/177239389.db2.gz FQQSFLWZVLMBHG-UHFFFAOYSA-N -1 0 287.300 2.484 20 5 CEBDRM CO[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000566740118 299019741 /nfs/dbraw/zinc/01/97/41/299019741.db2.gz OHVWMQFOMZYQTK-JTQLQIEISA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130293699 299832036 /nfs/dbraw/zinc/83/20/36/299832036.db2.gz PFYLYFKRYPKROT-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000217316127 260542426 /nfs/dbraw/zinc/54/24/26/260542426.db2.gz MFDIRXNXUYDIME-UWVGGRQHSA-N -1 0 276.292 2.173 20 5 CEBDRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000397121247 270351338 /nfs/dbraw/zinc/35/13/38/270351338.db2.gz MXDHGMRHENLYRF-JSGCOSHPSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000424964400 271108511 /nfs/dbraw/zinc/10/85/11/271108511.db2.gz CWTPRIZEJOBBND-WDEREUQCSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@]1(F)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339059954 280162503 /nfs/dbraw/zinc/16/25/03/280162503.db2.gz CYUOXJYQRQKHTL-LBPRGKRZSA-N -1 0 254.261 2.234 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccon2)c1 ZINC000351677841 280632536 /nfs/dbraw/zinc/63/25/36/280632536.db2.gz RWYWNWMXSYKLNV-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000458253991 289903721 /nfs/dbraw/zinc/90/37/21/289903721.db2.gz IRFCDWOKSDUYDY-ZHAHWJHGSA-N -1 0 276.292 2.219 20 5 CEBDRM COc1cc(N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC000111611435 294994703 /nfs/dbraw/zinc/99/47/03/294994703.db2.gz ZGFJNKWRNSAXQN-QMMMGPOBSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000263239968 297344431 /nfs/dbraw/zinc/34/44/31/297344431.db2.gz RNLOAZBEIMRRHB-SFYZADRCSA-N -1 0 299.714 2.190 20 5 CEBDRM CC[C@@H](O)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000517378147 297620868 /nfs/dbraw/zinc/62/08/68/297620868.db2.gz PJMPXRDADPPNFO-SNVBAGLBSA-N -1 0 282.296 2.174 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(C1)CCCC2 ZINC000366673535 304551671 /nfs/dbraw/zinc/55/16/71/304551671.db2.gz ALYSNTBCWFKKDK-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC(C)SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000548518990 298416285 /nfs/dbraw/zinc/41/62/85/298416285.db2.gz IBQYPDLQIZZNHB-UHFFFAOYSA-N -1 0 270.310 2.381 20 5 CEBDRM C[C@H](F)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566281365 298962562 /nfs/dbraw/zinc/96/25/62/298962562.db2.gz SDVSDJQKSMRNIA-LURJTMIESA-N -1 0 290.678 2.432 20 5 CEBDRM CN(CC(C)(C)C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162405209 312649007 /nfs/dbraw/zinc/64/90/07/312649007.db2.gz ATTNRYIVTMCNEV-UHFFFAOYSA-N -1 0 267.285 2.170 20 5 CEBDRM Cc1cc(N2C[C@@H]3C[C@H]2CS3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034289 313791444 /nfs/dbraw/zinc/79/14/44/313791444.db2.gz DSYHBOOKRNMDJU-UWVGGRQHSA-N -1 0 294.332 2.296 20 5 CEBDRM C[C@H]1CC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C)O1 ZINC000566291490 313863858 /nfs/dbraw/zinc/86/38/58/313863858.db2.gz SCBTWVWVWPTVNL-YUMQZZPRSA-N -1 0 295.295 2.056 20 5 CEBDRM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](C)O ZINC000569852013 314018256 /nfs/dbraw/zinc/01/82/56/314018256.db2.gz OOEHQTNKVGFNRA-KWQFWETISA-N -1 0 282.296 2.173 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000570038317 314024827 /nfs/dbraw/zinc/02/48/27/314024827.db2.gz RRQLWFVIUBEWRE-UMBAGQNISA-N -1 0 292.291 2.052 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000573447236 314157813 /nfs/dbraw/zinc/15/78/13/314157813.db2.gz DAAQRNIYXTWCQG-CWSCBRNRSA-N -1 0 292.291 2.272 20 5 CEBDRM C[C@H]1CCCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000579014268 314540761 /nfs/dbraw/zinc/54/07/61/314540761.db2.gz QAGJGDUKZXPEEQ-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM COC[C@@]1(C)CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000381386274 321833982 /nfs/dbraw/zinc/83/39/82/321833982.db2.gz MNJIACXCCBDVKP-AWEZNQCLSA-N -1 0 294.307 2.156 20 5 CEBDRM C[C@@H](CCO)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397767198 329391324 /nfs/dbraw/zinc/39/13/24/329391324.db2.gz SNMZNWIBLVIZKJ-SECBINFHSA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@@H]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1 ZINC000398140746 329435683 /nfs/dbraw/zinc/43/56/83/329435683.db2.gz JFSCMIAJCQAEBH-SCZZXKLOSA-N -1 0 280.280 2.272 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000179389098 533862844 /nfs/dbraw/zinc/86/28/44/533862844.db2.gz DOLXICSCQUGXIS-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CCOc1cc(N(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044851 528308255 /nfs/dbraw/zinc/30/82/55/528308255.db2.gz NEIKBWVQXWVDQN-VIFPVBQESA-N -1 0 282.296 2.150 20 5 CEBDRM O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)[O-])o1 ZINC000874973205 649878016 /nfs/dbraw/zinc/87/80/16/649878016.db2.gz XGTASKKDIHFFBO-UHFFFAOYSA-N -1 0 261.189 2.366 20 5 CEBDRM CN(C[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739645666 574499046 /nfs/dbraw/zinc/49/90/46/574499046.db2.gz QQZAXZLFYKVXGE-SECBINFHSA-N -1 0 299.352 2.483 20 5 CEBDRM CC(C)(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738745146 574623709 /nfs/dbraw/zinc/62/37/09/574623709.db2.gz UCUONCTVSBVMOQ-UHFFFAOYSA-N -1 0 295.295 2.360 20 5 CEBDRM CN(C(=O)[O-])c1ccc(Nc2ccncc2[N+](=O)[O-])cc1 ZINC000737336326 574829144 /nfs/dbraw/zinc/82/91/44/574829144.db2.gz PSTJRDMERMRNCU-UHFFFAOYSA-N -1 0 288.263 2.270 20 5 CEBDRM C[C@H](OC(=O)CSCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000739040382 574891212 /nfs/dbraw/zinc/89/12/12/574891212.db2.gz CIXXNULPSVOART-QMMMGPOBSA-N -1 0 299.304 2.017 20 5 CEBDRM C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739185558 574898226 /nfs/dbraw/zinc/89/82/26/574898226.db2.gz AKNYSGBDBSPGOM-PSASIEDQSA-N -1 0 299.352 2.134 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000740520201 574957773 /nfs/dbraw/zinc/95/77/73/574957773.db2.gz JYKFMMWXWSTNMB-SSDOTTSWSA-N -1 0 271.298 2.211 20 5 CEBDRM O=C([O-])NC1(CNc2ccc([N+](=O)[O-])nc2)CCCCC1 ZINC000740547297 574958676 /nfs/dbraw/zinc/95/86/76/574958676.db2.gz CQLCWKGWLZCJQP-UHFFFAOYSA-N -1 0 294.311 2.372 20 5 CEBDRM O=C([O-])NC1(CNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000740549115 574958756 /nfs/dbraw/zinc/95/87/56/574958756.db2.gz XRZUCVTUROGBGP-UHFFFAOYSA-N -1 0 294.311 2.372 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740597337 574960693 /nfs/dbraw/zinc/96/06/93/574960693.db2.gz ARXIHOZVLVQSKR-SSDOTTSWSA-N -1 0 285.687 2.095 20 5 CEBDRM CO[C@@]1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1(C)C ZINC000747330240 575169510 /nfs/dbraw/zinc/16/95/10/575169510.db2.gz MSWBUKQMYXDOGN-RNCFNFMXSA-N -1 0 282.296 2.283 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000088147201 597065993 /nfs/dbraw/zinc/06/59/93/597065993.db2.gz JFNFXWFFPOJYDU-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000821519852 597849044 /nfs/dbraw/zinc/84/90/44/597849044.db2.gz JKWPOVAFWWDHMA-UHFFFAOYSA-N -1 0 285.227 2.146 20 5 CEBDRM Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000163378661 600123834 /nfs/dbraw/zinc/12/38/34/600123834.db2.gz IPNBRSRCXYKOPC-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM C/C(=C\Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000825793347 600728338 /nfs/dbraw/zinc/72/83/38/600728338.db2.gz RGYHSBJEEKUVFP-UXBLZVDNSA-N -1 0 287.275 2.489 20 5 CEBDRM O=C([O-])c1cc(NC(=O)/C=C/C2CC2)cc([N+](=O)[O-])c1 ZINC000833093547 600889745 /nfs/dbraw/zinc/88/97/45/600889745.db2.gz ZWJCYLCTACMEPQ-ONEGZZNKSA-N -1 0 276.248 2.198 20 5 CEBDRM CC(C)C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000094702467 600927053 /nfs/dbraw/zinc/92/70/53/600927053.db2.gz KEERHEKNZIHYAB-LLVKDONJSA-N -1 0 294.307 2.072 20 5 CEBDRM CC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000827975736 601406175 /nfs/dbraw/zinc/40/61/75/601406175.db2.gz DGQIARVCQPOANY-UHFFFAOYSA-N -1 0 278.264 2.422 20 5 CEBDRM O=C([O-])c1cc(C(=O)NCCC2CCC2)cc([N+](=O)[O-])c1 ZINC000762289531 601690766 /nfs/dbraw/zinc/69/07/66/601690766.db2.gz AWHZUIGYDYAEBP-UHFFFAOYSA-N -1 0 292.291 2.213 20 5 CEBDRM Cc1nc(SC[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000123608763 602129496 /nfs/dbraw/zinc/12/94/96/602129496.db2.gz VNKJTXNIMFECGM-LURJTMIESA-N -1 0 256.283 2.111 20 5 CEBDRM CC[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828906543 602189882 /nfs/dbraw/zinc/18/98/82/602189882.db2.gz IYUUGZIMCSJABT-JOYOIKCWSA-N -1 0 294.307 2.273 20 5 CEBDRM O=C(C[C@H]1CCCN1C(=O)[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000831339300 603212652 /nfs/dbraw/zinc/21/26/52/603212652.db2.gz GIOKAHRCZNIZOZ-SNVBAGLBSA-N -1 0 293.279 2.066 20 5 CEBDRM Cc1cc(N[C@@H]2CCCCN(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000830116643 603890627 /nfs/dbraw/zinc/89/06/27/603890627.db2.gz ILUUKRQRRVTFLN-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM CCCC[C@@H](CNC(=O)[O-])Nc1ncccc1[N+](=O)[O-] ZINC000826812368 603893147 /nfs/dbraw/zinc/89/31/47/603893147.db2.gz BIQGYWQLYMZYKI-VIFPVBQESA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1ccc(N2CCC[C@H](NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830347190 604216855 /nfs/dbraw/zinc/21/68/55/604216855.db2.gz PXMMJAISIBOBHR-JTQLQIEISA-N -1 0 279.296 2.140 20 5 CEBDRM CCOc1cc(NCC[C@H](C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000827417614 604218329 /nfs/dbraw/zinc/21/83/29/604218329.db2.gz BIKVFEWLCVKKFV-VIFPVBQESA-N -1 0 297.311 2.452 20 5 CEBDRM CC(C)[C@@H](CCN(C)c1ccncc1[N+](=O)[O-])NC(=O)[O-] ZINC000824105258 604226743 /nfs/dbraw/zinc/22/67/43/604226743.db2.gz QUMIBKIFENDONM-SNVBAGLBSA-N -1 0 296.327 2.108 20 5 CEBDRM C[C@]1(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000833569928 604562520 /nfs/dbraw/zinc/56/25/20/604562520.db2.gz ARRFHHQVFJCGOS-MFBWXBCUSA-N -1 0 292.291 2.284 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(S[C@H](C)C(=O)[O-])c1 ZINC000833728662 604822811 /nfs/dbraw/zinc/82/28/11/604822811.db2.gz IHYGADWJWIEBRH-RXMQYKEDSA-N -1 0 275.257 2.308 20 5 CEBDRM CNc1ccc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000833700327 605179372 /nfs/dbraw/zinc/17/93/72/605179372.db2.gz JONDEQXSLRJFSI-UHFFFAOYSA-N -1 0 288.263 2.473 20 5 CEBDRM CC[C@H](CO)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833668631 605243118 /nfs/dbraw/zinc/24/31/18/605243118.db2.gz VLMGIJPMZLEHGI-ZCFIWIBFSA-N -1 0 288.687 2.129 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000833907525 605499496 /nfs/dbraw/zinc/49/94/96/605499496.db2.gz LKOGODDSLRVPII-GHMZBOCLSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])N1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000834112055 605695148 /nfs/dbraw/zinc/69/51/48/605695148.db2.gz XCOIPACHTGSAJB-UHFFFAOYSA-N -1 0 288.263 2.248 20 5 CEBDRM COc1cc(NC[C@H](NC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000833887956 605921184 /nfs/dbraw/zinc/92/11/84/605921184.db2.gz OZRXJXMRXSVGTM-JTQLQIEISA-N -1 0 295.295 2.062 20 5 CEBDRM O=C([O-])NCCSCc1ccc([N+](=O)[O-])cc1 ZINC000834246156 605992918 /nfs/dbraw/zinc/99/29/18/605992918.db2.gz ZESBSTKFUDVEBK-UHFFFAOYSA-N -1 0 256.283 2.096 20 5 CEBDRM O=C([O-])CC1(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000094291474 625623922 /nfs/dbraw/zinc/62/39/22/625623922.db2.gz PUNWOBZDLRYSFP-UHFFFAOYSA-N -1 0 295.251 2.312 20 5 CEBDRM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000219098629 624940208 /nfs/dbraw/zinc/94/02/08/624940208.db2.gz QYNRMCXUNUCMEO-NXEZZACHSA-N -1 0 293.323 2.208 20 5 CEBDRM Cc1ncoc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000820912608 634570041 /nfs/dbraw/zinc/57/00/41/634570041.db2.gz YORODJJMUSJZBH-UHFFFAOYSA-N -1 0 288.219 2.314 20 5 CEBDRM C[C@]1(C(=O)[O-])CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261581778 628941549 /nfs/dbraw/zinc/94/15/49/628941549.db2.gz GGIXBIYHLRNYEN-LBPRGKRZSA-N -1 0 268.244 2.035 20 5 CEBDRM O=C(Cc1ccc(F)cn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000798300909 630853805 /nfs/dbraw/zinc/85/38/05/630853805.db2.gz LOVALKKNSXRVOU-UHFFFAOYSA-N -1 0 291.238 2.016 20 5 CEBDRM CCOC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000869768437 631014524 /nfs/dbraw/zinc/01/45/24/631014524.db2.gz FIUMRRHDANYZSD-UHFFFAOYSA-N -1 0 283.280 2.159 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899408654 632838222 /nfs/dbraw/zinc/83/82/22/632838222.db2.gz YZWSSCPSKMXLOP-KXGXSXBTSA-N -1 0 290.319 2.322 20 5 CEBDRM O=C([O-])/C=C/c1ccc(N2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906148930 636624876 /nfs/dbraw/zinc/62/48/76/636624876.db2.gz NROUKFYFBLEHLZ-FWEMWIAWSA-N -1 0 294.282 2.488 20 5 CEBDRM CCO[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000910335577 638003793 /nfs/dbraw/zinc/00/37/93/638003793.db2.gz VAJVNHAPBCXUPO-NSHDSACASA-N -1 0 294.307 2.217 20 5 CEBDRM CS[C@@H](C)CCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835666198 638344616 /nfs/dbraw/zinc/34/46/16/638344616.db2.gz PFJSABQEZXEWQA-ZETCQYMHSA-N -1 0 258.299 2.221 20 5 CEBDRM CC(C)CO[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837440385 639229350 /nfs/dbraw/zinc/22/93/50/639229350.db2.gz LSINPFHUINEPOP-JTQLQIEISA-N -1 0 297.307 2.405 20 5 CEBDRM CC(C)CO[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837440387 639229919 /nfs/dbraw/zinc/22/99/19/639229919.db2.gz LSINPFHUINEPOP-SNVBAGLBSA-N -1 0 297.307 2.405 20 5 CEBDRM C[C@@H]1COCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837672588 639336409 /nfs/dbraw/zinc/33/64/09/639336409.db2.gz DWQIJKDRWFFWNH-BXKDBHETSA-N -1 0 295.291 2.016 20 5 CEBDRM CC1(C)CC[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837676283 639338391 /nfs/dbraw/zinc/33/83/91/639338391.db2.gz JANYVIQEEOMIFK-GFCCVEGCSA-N -1 0 295.291 2.301 20 5 CEBDRM CC[C@@H]1C[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837972578 639461250 /nfs/dbraw/zinc/46/12/50/639461250.db2.gz FBADHZDMUAQOLC-LDYMZIIASA-N -1 0 265.265 2.390 20 5 CEBDRM CC(C)CONC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843836125 640539012 /nfs/dbraw/zinc/53/90/12/640539012.db2.gz PPFUGRWQUSGVMX-UHFFFAOYSA-N -1 0 288.687 2.271 20 5 CEBDRM CCCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000844085444 640601187 /nfs/dbraw/zinc/60/11/87/640601187.db2.gz CGWQOHAHLQYUSA-UHFFFAOYSA-N -1 0 266.297 2.330 20 5 CEBDRM COCCCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844212193 640633928 /nfs/dbraw/zinc/63/39/28/640633928.db2.gz DIXXXGKSYWURIX-UHFFFAOYSA-N -1 0 296.323 2.085 20 5 CEBDRM Nc1ccc(C(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000174885441 641088618 /nfs/dbraw/zinc/08/86/18/641088618.db2.gz GSOJKURLVBRJHS-UHFFFAOYSA-N -1 0 291.238 2.274 20 5 CEBDRM CO[C@@]1(C)C[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000851705688 643117105 /nfs/dbraw/zinc/11/71/05/643117105.db2.gz SFXRWINHEVQDLY-HRLNJXSSSA-N -1 0 292.291 2.282 20 5 CEBDRM O=C(OCCCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000762083502 645361855 /nfs/dbraw/zinc/36/18/55/645361855.db2.gz SZCXGOJKJDWCPI-UHFFFAOYSA-N -1 0 266.175 2.422 20 5 CEBDRM O=C(COc1ccccc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000777964486 647193275 /nfs/dbraw/zinc/19/32/75/647193275.db2.gz JNHOOESHUSCKGH-UHFFFAOYSA-N -1 0 294.307 2.354 20 5 CEBDRM O=c1cc(C2CCCC2)[n-]n1-c1ccc([N+](=O)[O-])cn1 ZINC000871943696 649222020 /nfs/dbraw/zinc/22/20/20/649222020.db2.gz QHLZYZLZNHIYSV-UHFFFAOYSA-N -1 0 274.280 2.273 20 5 CEBDRM C[C@H]1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000132995506 652581584 /nfs/dbraw/zinc/58/15/84/652581584.db2.gz KLWINHQCDVLHJT-YUMQZZPRSA-N -1 0 265.269 2.289 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000693503479 802990734 /nfs/dbraw/zinc/99/07/34/802990734.db2.gz PMNGQMOGYHGXNY-CABZTGNLSA-N -1 0 264.281 2.142 20 5 CEBDRM O=C([O-])[C@]12CN(c3ncc([N+](=O)[O-])s3)C[C@H]1CCCC2 ZINC000715820151 814994985 /nfs/dbraw/zinc/99/49/85/814994985.db2.gz BWVHZMNHXXYXSA-PRHODGIISA-N -1 0 297.336 2.133 20 5 CEBDRM O=c1cc[nH]c(O[C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC001225664122 805106642 /nfs/dbraw/zinc/10/66/42/805106642.db2.gz JXLBUIPPKQHNJU-VXNVDRBHSA-N -1 0 256.233 2.355 20 5 CEBDRM CC1(C)C[C@]1(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000702366944 809543732 /nfs/dbraw/zinc/54/37/32/809543732.db2.gz QMHQIMGCEKXCFQ-CQSZACIVSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C([O-])c1cc(N2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000711415202 810069383 /nfs/dbraw/zinc/06/93/83/810069383.db2.gz OQNPGYSBEHRFAM-MRVPVSSYSA-N -1 0 268.244 2.089 20 5 CEBDRM C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739185561 810159014 /nfs/dbraw/zinc/15/90/14/810159014.db2.gz AKNYSGBDBSPGOM-SCZZXKLOSA-N -1 0 299.352 2.134 20 5 CEBDRM O=c1cc(CNc2ccc([N+](=O)[O-])c3cnccc23)o[n-]1 ZINC001169484684 811529367 /nfs/dbraw/zinc/52/93/67/811529367.db2.gz UYDFRADWRSROIJ-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)no1 ZINC001174502274 816028956 /nfs/dbraw/zinc/02/89/56/816028956.db2.gz JXYYKQAUQQKNIZ-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM Cc1c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1C ZINC001176671646 816452885 /nfs/dbraw/zinc/45/28/85/816452885.db2.gz ALYMPWCSRNEYGK-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM O=C([O-])c1cc(Nc2cccnc2)cc([N+](=O)[O-])c1 ZINC001176672010 816453070 /nfs/dbraw/zinc/45/30/70/816453070.db2.gz GHCAETPYQRHSID-UHFFFAOYSA-N -1 0 259.221 2.432 20 5 CEBDRM Cc1ccc(O)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176675498 816453716 /nfs/dbraw/zinc/45/37/16/816453716.db2.gz ZZLYYNQPWHICRU-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM COc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC001176675394 816453851 /nfs/dbraw/zinc/45/38/51/816453851.db2.gz VSEXOKWCNKELEX-UHFFFAOYSA-N -1 0 279.208 2.033 20 5 CEBDRM C[C@H]1C[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141672279 816578233 /nfs/dbraw/zinc/57/82/33/816578233.db2.gz CHEZTGOYMGISIM-BQBZGAKWSA-N -1 0 284.699 2.340 20 5 CEBDRM O=C(Nc1cnn2ccccc12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001149493214 816868970 /nfs/dbraw/zinc/86/89/70/816868970.db2.gz QXNWIXZHIJTKSM-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C([O-])c1cnc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000082555452 178090777 /nfs/dbraw/zinc/09/07/77/178090777.db2.gz WFWCSLUOCQXZCV-UHFFFAOYSA-N -1 0 251.242 2.043 20 5 CEBDRM O=C(N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000601704969 346883258 /nfs/dbraw/zinc/88/32/58/346883258.db2.gz QFKGLWCETJMQCJ-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM CC1(F)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000601869022 346919319 /nfs/dbraw/zinc/91/93/19/346919319.db2.gz MZUHOMXRLVXGDT-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)S1 ZINC000075179331 343840241 /nfs/dbraw/zinc/84/02/41/343840241.db2.gz DCQMTYXGJAEILW-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM CCC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000093508455 344225941 /nfs/dbraw/zinc/22/59/41/344225941.db2.gz CPTVNPQSWOSSBO-CYBMUJFWSA-N -1 0 280.324 2.301 20 5 CEBDRM COc1cccc(N2CCC(C)(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000134885549 344378727 /nfs/dbraw/zinc/37/87/27/344378727.db2.gz BIYKLYBZVMRZJC-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCCCC2)n1 ZINC000166637844 344476434 /nfs/dbraw/zinc/47/64/34/344476434.db2.gz FQFXPDGFBYWSBC-UHFFFAOYSA-N -1 0 265.269 2.068 20 5 CEBDRM COc1cc(NCC2(C(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000166677287 344476583 /nfs/dbraw/zinc/47/65/83/344476583.db2.gz GIZOKMWUUSZFQX-UHFFFAOYSA-N -1 0 280.280 2.270 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225787002 344547183 /nfs/dbraw/zinc/54/71/83/344547183.db2.gz TUVUUYHKWHLXFX-MRVPVSSYSA-N -1 0 252.270 2.219 20 5 CEBDRM CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000234054050 344583418 /nfs/dbraw/zinc/58/34/18/344583418.db2.gz JXORRIFJUXSCMQ-QMMMGPOBSA-N -1 0 260.196 2.148 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC2(O)CCC2)c1 ZINC000398222102 344854333 /nfs/dbraw/zinc/85/43/33/344854333.db2.gz DIKVTWROKYJTMH-UHFFFAOYSA-N -1 0 280.280 2.010 20 5 CEBDRM Cc1cc(N[C@@H]2CCOC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584617691 344965881 /nfs/dbraw/zinc/96/58/81/344965881.db2.gz ZZZFRVABPOSALK-BXKDBHETSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2sccc2[N+](=O)[O-])C1 ZINC000591561675 345264734 /nfs/dbraw/zinc/26/47/34/345264734.db2.gz XKXZRWBJZGOTPH-YUMQZZPRSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000591561602 345264800 /nfs/dbraw/zinc/26/48/00/345264800.db2.gz RIHJBBHKJMNURG-YUMQZZPRSA-N -1 0 270.310 2.203 20 5 CEBDRM CC[C@H](Nc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(=O)[O-] ZINC000592421359 345351377 /nfs/dbraw/zinc/35/13/77/345351377.db2.gz RHPMSJVYTFTDIY-JTQLQIEISA-N -1 0 266.253 2.073 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000592903508 345413852 /nfs/dbraw/zinc/41/38/52/345413852.db2.gz PKSGHQMVTXHGNQ-OPRDCNLKSA-N -1 0 276.292 2.219 20 5 CEBDRM CCN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592969188 345417300 /nfs/dbraw/zinc/41/73/00/345417300.db2.gz BIOYGAFWEQXZKB-JTQLQIEISA-N -1 0 294.307 2.156 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593328843 345467193 /nfs/dbraw/zinc/46/71/93/345467193.db2.gz WZHPEFWZDGLFIW-ZDUSSCGKSA-N -1 0 287.275 2.196 20 5 CEBDRM O=C([O-])[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC=CCC1 ZINC000593925190 345552819 /nfs/dbraw/zinc/55/28/19/345552819.db2.gz QHVQSTHJZXAOKW-CQSZACIVSA-N -1 0 290.275 2.344 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000594546805 345645970 /nfs/dbraw/zinc/64/59/70/345645970.db2.gz XVYGFICKQKFXCK-SECBINFHSA-N -1 0 297.311 2.076 20 5 CEBDRM C[C@]1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1(F)F ZINC000594736508 345682102 /nfs/dbraw/zinc/68/21/02/345682102.db2.gz QMXLSNXUVMTBEV-SNVBAGLBSA-N -1 0 287.222 2.145 20 5 CEBDRM CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)(C)C ZINC000158099229 232243536 /nfs/dbraw/zinc/24/35/36/232243536.db2.gz AQFYQHAALDTKKR-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000595970277 345919090 /nfs/dbraw/zinc/91/90/90/345919090.db2.gz VLOWIVUSKOWIKI-HTQZYQBOSA-N -1 0 299.714 2.190 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598181280 346301625 /nfs/dbraw/zinc/30/16/25/346301625.db2.gz ATLCLLGWDHFTSE-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OCC ZINC000600173813 346614617 /nfs/dbraw/zinc/61/46/17/346614617.db2.gz GCNCMVMAFKDRAD-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM C/C=C/CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000600678553 346671799 /nfs/dbraw/zinc/67/17/99/346671799.db2.gz KMRQOXXGPLXBMO-NSCUHMNNSA-N -1 0 250.254 2.210 20 5 CEBDRM CC(C)=CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000600873130 346701902 /nfs/dbraw/zinc/70/19/02/346701902.db2.gz RXMNJRZYVSEPGS-UHFFFAOYSA-N -1 0 292.291 2.379 20 5 CEBDRM C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000601068051 346742740 /nfs/dbraw/zinc/74/27/40/346742740.db2.gz HWRKASILKCRHOX-KCJUWKMLSA-N -1 0 274.280 2.135 20 5 CEBDRM COC[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000086702788 179321500 /nfs/dbraw/zinc/32/15/00/179321500.db2.gz CDQVSPBZKNIUDI-NSHDSACASA-N -1 0 282.296 2.376 20 5 CEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000087507121 179436730 /nfs/dbraw/zinc/43/67/30/179436730.db2.gz PZAXFYKWPYSHRG-SECBINFHSA-N -1 0 297.267 2.272 20 5 CEBDRM O=C([O-])c1sccc1COc1cccnc1[N+](=O)[O-] ZINC000110952767 186337125 /nfs/dbraw/zinc/33/71/25/186337125.db2.gz IZLUVPGZJNIEGU-UHFFFAOYSA-N -1 0 280.261 2.329 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1C(=O)[O-] ZINC000110987163 186338670 /nfs/dbraw/zinc/33/86/70/186338670.db2.gz PPGSBHWHRXYDFY-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM O=C(Nc1nccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194738810 304019186 /nfs/dbraw/zinc/01/91/86/304019186.db2.gz CGCDINHGTWJUMG-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM Cc1ccc(NC(=O)NCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000070200192 363055567 /nfs/dbraw/zinc/05/55/67/363055567.db2.gz SRXANUAMZOFAHI-UHFFFAOYSA-N -1 0 295.295 2.280 20 5 CEBDRM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000071733395 363111110 /nfs/dbraw/zinc/11/11/10/363111110.db2.gz IQBMDFRGPFFKSA-UHFFFAOYSA-N -1 0 294.307 2.168 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000339009522 366612073 /nfs/dbraw/zinc/61/20/73/366612073.db2.gz KWQAVWAWVFYNNJ-UHFFFAOYSA-N -1 0 292.335 2.303 20 5 CEBDRM CC(C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000087506666 363858092 /nfs/dbraw/zinc/85/80/92/363858092.db2.gz AHKUVKNHNRJKSX-ZETCQYMHSA-N -1 0 298.324 2.073 20 5 CEBDRM Cc1nn(C)c(NC[C@H](CC(=O)[O-])CC(C)C)c1[N+](=O)[O-] ZINC000088274136 363886856 /nfs/dbraw/zinc/88/68/56/363886856.db2.gz NFKISTADSGTQCP-JTQLQIEISA-N -1 0 298.343 2.186 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237412990 370719752 /nfs/dbraw/zinc/71/97/52/370719752.db2.gz YZOVOXALBJZWPN-PELKAZGASA-N -1 0 292.291 2.211 20 5 CEBDRM CC(C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-])=Cc1ccccc1 ZINC000101102893 364554962 /nfs/dbraw/zinc/55/49/62/364554962.db2.gz HYUVHTILEKQBPA-GOJKSUSPSA-N -1 0 299.286 2.088 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119727881 365316935 /nfs/dbraw/zinc/31/69/35/365316935.db2.gz LDSHSPXRLIFSJN-SECBINFHSA-N -1 0 284.337 2.172 20 5 CEBDRM CC(C)COCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164043329 367274638 /nfs/dbraw/zinc/27/46/38/367274638.db2.gz YRSXLQHOPHEJHO-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CSCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186055817 368913343 /nfs/dbraw/zinc/91/33/43/368913343.db2.gz AQHMGWBTOZTSLL-UHFFFAOYSA-N -1 0 276.701 2.255 20 5 CEBDRM COC(C)(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187247244 369128146 /nfs/dbraw/zinc/12/81/46/369128146.db2.gz FQLGIAHRJSLBFW-SECBINFHSA-N -1 0 296.323 2.234 20 5 CEBDRM CCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232970196 370515678 /nfs/dbraw/zinc/51/56/78/370515678.db2.gz BFIRWIZXQYDKHW-UHFFFAOYSA-N -1 0 252.270 2.220 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233990480 370527704 /nfs/dbraw/zinc/52/77/04/370527704.db2.gz FTABORYLNZMVSO-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262731385 371902752 /nfs/dbraw/zinc/90/27/52/371902752.db2.gz HHPREDSNDMEUIE-IUCAKERBSA-N -1 0 292.291 2.164 20 5 CEBDRM O=C(CCc1nccs1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361659673 372009762 /nfs/dbraw/zinc/00/97/62/372009762.db2.gz INMYICOOHPVUNQ-UHFFFAOYSA-N -1 0 293.304 2.328 20 5 CEBDRM CC(C)CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269204289 372376145 /nfs/dbraw/zinc/37/61/45/372376145.db2.gz SKRDDKRCMZHEPA-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269207091 372377739 /nfs/dbraw/zinc/37/77/39/372377739.db2.gz URLWRHIXHHCHQE-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000271944442 373228738 /nfs/dbraw/zinc/22/87/38/373228738.db2.gz PPPSVXINJUYTSL-BDAKNGLRSA-N -1 0 280.280 2.054 20 5 CEBDRM CC[C@@H]1OCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277449301 374524065 /nfs/dbraw/zinc/52/40/65/374524065.db2.gz XIAZNTDPEXVPCL-GWCFXTLKSA-N -1 0 294.307 2.444 20 5 CEBDRM CO[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000382052571 375182905 /nfs/dbraw/zinc/18/29/05/375182905.db2.gz YQLCZTYOBUOOSI-GFCCVEGCSA-N -1 0 282.296 2.376 20 5 CEBDRM CC[C@]1(C)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000399419084 375364493 /nfs/dbraw/zinc/36/44/93/375364493.db2.gz JBQYUVANAZBESC-CYBMUJFWSA-N -1 0 279.296 2.314 20 5 CEBDRM Cc1cc(NCC(=O)[O-])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393087 376058032 /nfs/dbraw/zinc/05/80/32/376058032.db2.gz UMXAQQBNZBRAQX-UHFFFAOYSA-N -1 0 278.186 2.419 20 5 CEBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000330430090 377127978 /nfs/dbraw/zinc/12/79/78/377127978.db2.gz MHLDDGSTMPQVPX-ZWNOBZJWSA-N -1 0 280.324 2.300 20 5 CEBDRM CC(=O)c1cc(N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000563959935 377329449 /nfs/dbraw/zinc/32/94/49/377329449.db2.gz KQIGDCVZIYIFFM-ZJUUUORDSA-N -1 0 292.291 2.463 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181931812 249332332 /nfs/dbraw/zinc/33/23/32/249332332.db2.gz LDQVQPIIMTXEFO-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]OCC1CC1 ZINC000293722138 377721513 /nfs/dbraw/zinc/72/15/13/377721513.db2.gz GUCPLAFFHFXPPL-UHFFFAOYSA-N -1 0 289.291 2.007 20 5 CEBDRM CC(C)COCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280893980 195018513 /nfs/dbraw/zinc/01/85/13/195018513.db2.gz ZUYPSXJCQRQAEJ-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC(C)[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000081588764 177826439 /nfs/dbraw/zinc/82/64/39/177826439.db2.gz QQLMFZMWXBNBJH-NSHDSACASA-N -1 0 290.279 2.059 20 5 CEBDRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000281677101 195332764 /nfs/dbraw/zinc/33/27/64/195332764.db2.gz UGBDJECVSAUAKH-DTWKUNHWSA-N -1 0 292.291 2.244 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237008914 130997491 /nfs/dbraw/zinc/99/74/91/130997491.db2.gz ACKIUGOKLIXCOD-SECBINFHSA-N -1 0 294.307 2.411 20 5 CEBDRM O=C([O-])CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093679897 135082049 /nfs/dbraw/zinc/08/20/49/135082049.db2.gz VTBIPYDBOMSIDK-UHFFFAOYSA-N -1 0 264.281 2.286 20 5 CEBDRM C[C@H]1C[C@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355564024 394464592 /nfs/dbraw/zinc/46/45/92/394464592.db2.gz IRWSOZMRFSPYKK-YUMQZZPRSA-N -1 0 250.254 2.285 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225798912 394470308 /nfs/dbraw/zinc/47/03/08/394470308.db2.gz GWMOILDSEKDKSY-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM CCn1nccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000255568596 394583636 /nfs/dbraw/zinc/58/36/36/394583636.db2.gz BWCVJQNHBJMTSA-ARJAWSKDSA-N -1 0 288.263 2.075 20 5 CEBDRM CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000356702590 394591429 /nfs/dbraw/zinc/59/14/29/394591429.db2.gz RBILJSVTXFGZBH-QPUJVOFHSA-N -1 0 282.296 2.300 20 5 CEBDRM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000123550478 394829088 /nfs/dbraw/zinc/82/90/88/394829088.db2.gz BSADKPVNUKJJRM-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CO[C@@H](CC(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000416205440 395031594 /nfs/dbraw/zinc/03/15/94/395031594.db2.gz RKBWIJLKOGRSKB-LBPRGKRZSA-N -1 0 282.296 2.300 20 5 CEBDRM Cc1ccoc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436702240 395145724 /nfs/dbraw/zinc/14/57/24/395145724.db2.gz HLDOVVNCMBDZRJ-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436793781 395153354 /nfs/dbraw/zinc/15/33/54/395153354.db2.gz SQFLKJUZWUYPCI-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968171 395168516 /nfs/dbraw/zinc/16/85/16/395168516.db2.gz STSNILJHIFKZDB-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436998216 395172921 /nfs/dbraw/zinc/17/29/21/395172921.db2.gz IJHXARQFQNPAAH-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM O=C(NCCc1ccsc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194745599 395447200 /nfs/dbraw/zinc/44/72/00/395447200.db2.gz TUYMRAPKFYGARD-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM O=C(NCc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194739809 395447761 /nfs/dbraw/zinc/44/77/61/395447761.db2.gz PCUCIJFUQIMIMC-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444469103 395432637 /nfs/dbraw/zinc/43/26/37/395432637.db2.gz SNYVGZGEEIRZKK-PSASIEDQSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000567865819 395537100 /nfs/dbraw/zinc/53/71/00/395537100.db2.gz GICHVGXAPGBUSY-KWQFWETISA-N -1 0 293.323 2.154 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000360220750 155245791 /nfs/dbraw/zinc/24/57/91/155245791.db2.gz JXLAIPZGNINNRL-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM CCC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316893 153296098 /nfs/dbraw/zinc/29/60/98/153296098.db2.gz WPRDJFPPMZZHEY-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316575 153297363 /nfs/dbraw/zinc/29/73/63/153297363.db2.gz AMZNYEDNGUIQLN-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM C[C@@H](CC(=O)[O-])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235102926 153432173 /nfs/dbraw/zinc/43/21/73/153432173.db2.gz YPWHEMSWKRMUAT-YFKPBYRVSA-N -1 0 260.196 2.148 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000263215800 154035190 /nfs/dbraw/zinc/03/51/90/154035190.db2.gz OCOJDHUBLWYABL-MRVPVSSYSA-N -1 0 294.307 2.052 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000263491444 154104846 /nfs/dbraw/zinc/10/48/46/154104846.db2.gz OYEOOKAVGODMSI-VIFPVBQESA-N -1 0 295.295 2.088 20 5 CEBDRM CCC(=O)c1ccc(N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263563982 154125916 /nfs/dbraw/zinc/12/59/16/154125916.db2.gz UPSWUVVVAMWFPW-VIFPVBQESA-N -1 0 294.307 2.344 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000368645564 156380200 /nfs/dbraw/zinc/38/02/00/156380200.db2.gz GPTBTNNTVRIJAQ-ZDSQKVDBSA-N -1 0 292.291 2.054 20 5 CEBDRM Cc1occc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000021028285 171291703 /nfs/dbraw/zinc/29/17/03/171291703.db2.gz FCZWFUUSFXHTQF-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM O=C([O-])CCCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021512865 171310924 /nfs/dbraw/zinc/31/09/24/171310924.db2.gz JJVIAAMGGBMGKC-UHFFFAOYSA-N -1 0 295.295 2.361 20 5 CEBDRM CN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035330322 172130386 /nfs/dbraw/zinc/13/03/86/172130386.db2.gz SXHXBHYFMOCAGZ-UHFFFAOYSA-N -1 0 278.186 2.134 20 5 CEBDRM O=C(Cc1ccccc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000036476081 172637966 /nfs/dbraw/zinc/63/79/66/172637966.db2.gz GNFYEPGHYOUAJF-UHFFFAOYSA-N -1 0 272.260 2.482 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000228788936 270312838 /nfs/dbraw/zinc/31/28/38/270312838.db2.gz FUFTZYBKXWEZJA-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1c(NC(=O)c2ncccc2[O-])cccc1[N+](=O)[O-] ZINC000122493305 279781067 /nfs/dbraw/zinc/78/10/67/279781067.db2.gz SUAQWERLQGIVJV-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000136496243 280061607 /nfs/dbraw/zinc/06/16/07/280061607.db2.gz DDLOQPXHOBYVOM-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444483098 281607950 /nfs/dbraw/zinc/60/79/50/281607950.db2.gz NIUNYRXPHLGVQF-WCBMZHEXSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)ccn1 ZINC000447543957 281834671 /nfs/dbraw/zinc/83/46/71/281834671.db2.gz UKEHKWIJRGUFJM-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCc1ccc(C(=O)N[C@@](C)(CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262398537 288533928 /nfs/dbraw/zinc/53/39/28/288533928.db2.gz JRHVLAALBLFEOJ-AWEZNQCLSA-N -1 0 294.307 2.140 20 5 CEBDRM CN=c1[n-]nc(Sc2nc(C)cc(C)c2[N+](=O)[O-])s1 ZINC000359087192 290330651 /nfs/dbraw/zinc/33/06/51/290330651.db2.gz XCAJGWZZOIJRNS-UHFFFAOYSA-N -1 0 297.365 2.073 20 5 CEBDRM Cc1cc(=NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)[n-]nc1C ZINC000491897375 290546165 /nfs/dbraw/zinc/54/61/65/290546165.db2.gz ZMRDRCKBSYSWLD-SREVYHEPSA-N -1 0 298.302 2.075 20 5 CEBDRM O=C(/C=C/c1cscn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492318056 290602832 /nfs/dbraw/zinc/60/28/32/290602832.db2.gz HOOVBLMXEJLQTJ-DAFODLJHSA-N -1 0 291.288 2.409 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC000368629321 304531778 /nfs/dbraw/zinc/53/17/78/304531778.db2.gz ZBADAFJOYTUROP-GHMZBOCLSA-N -1 0 276.292 2.315 20 5 CEBDRM O=[N+]([O-])c1cccc(CN=c2[n-]c(C3CCC3)no2)c1 ZINC000556198633 298540378 /nfs/dbraw/zinc/54/03/78/298540378.db2.gz LILWGZDMYJMKDD-UHFFFAOYSA-N -1 0 274.280 2.279 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000565368640 298899564 /nfs/dbraw/zinc/89/95/64/298899564.db2.gz WZEFDYZLOQBKQO-BDAKNGLRSA-N -1 0 291.307 2.228 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000566276425 298962078 /nfs/dbraw/zinc/96/20/78/298962078.db2.gz LUKPYBHIYXFRKI-RKDXNWHRSA-N -1 0 282.271 2.311 20 5 CEBDRM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000573492194 314162570 /nfs/dbraw/zinc/16/25/70/314162570.db2.gz BAJPXIATPCHTDY-UHFFFAOYSA-N -1 0 270.672 2.188 20 5 CEBDRM CO[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000576403228 314272791 /nfs/dbraw/zinc/27/27/91/314272791.db2.gz SFIARMSSYPXYFJ-QMMMGPOBSA-N -1 0 268.269 2.048 20 5 CEBDRM CO[C@@H](C)[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577377021 314369291 /nfs/dbraw/zinc/36/92/91/314369291.db2.gz AQRCDMHXHSVAQJ-IUCAKERBSA-N -1 0 282.296 2.437 20 5 CEBDRM CC1(C)[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C[C@@H]21 ZINC000380374333 321830077 /nfs/dbraw/zinc/83/00/77/321830077.db2.gz FTDIKBDYJWSKMU-PHIMTYICSA-N -1 0 276.292 2.385 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCCO2)c1 ZINC000211876525 326865856 /nfs/dbraw/zinc/86/58/56/326865856.db2.gz GQKGVISZHOSBHE-SNVBAGLBSA-N -1 0 280.280 2.274 20 5 CEBDRM C[C@@H](CN(C)c1ccnc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000214693024 327040164 /nfs/dbraw/zinc/04/01/64/327040164.db2.gz KIQOZTJGDCZNBK-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM C[C@H]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)O1 ZINC000398140747 329435688 /nfs/dbraw/zinc/43/56/88/329435688.db2.gz JFSCMIAJCQAEBH-WCBMZHEXSA-N -1 0 280.280 2.272 20 5 CEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1 ZINC000159905093 533755679 /nfs/dbraw/zinc/75/56/79/533755679.db2.gz WHITZOZHJOOXPL-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM O=Cc1cccc(-c2cnc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000874972434 649877665 /nfs/dbraw/zinc/87/76/65/649877665.db2.gz CANQTGHDHPJOKY-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM Cc1cc(N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000740076888 574440625 /nfs/dbraw/zinc/44/06/25/574440625.db2.gz HEUAUOWKOYDKEW-JQWIXIFHSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])CCC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000738565448 574477291 /nfs/dbraw/zinc/47/72/91/574477291.db2.gz KZIDWATVOXWXNF-UHFFFAOYSA-N -1 0 287.655 2.156 20 5 CEBDRM C[C@H](OC(=O)CCCNC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000736686299 574794541 /nfs/dbraw/zinc/79/45/41/574794541.db2.gz FULOEGLHEKKBNH-VIFPVBQESA-N -1 0 296.279 2.247 20 5 CEBDRM CCCSCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737038729 574803292 /nfs/dbraw/zinc/80/32/92/574803292.db2.gz CJKMWHAKPWXROA-UHFFFAOYSA-N -1 0 298.320 2.375 20 5 CEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000738399293 574861097 /nfs/dbraw/zinc/86/10/97/574861097.db2.gz JUPUPPSGDDWUJH-RQJHMYQMSA-N -1 0 299.666 2.183 20 5 CEBDRM C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739196963 574899069 /nfs/dbraw/zinc/89/90/69/574899069.db2.gz XAYISLAMQVAPIG-SCZZXKLOSA-N -1 0 297.286 2.216 20 5 CEBDRM CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)[O-] ZINC000739451647 574919653 /nfs/dbraw/zinc/91/96/53/574919653.db2.gz HXXNUSUNQAVGHJ-UHFFFAOYSA-N -1 0 292.251 2.145 20 5 CEBDRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739559479 574926160 /nfs/dbraw/zinc/92/61/60/574926160.db2.gz OUFNPKFDMIKUNA-JGVFFNPUSA-N -1 0 299.666 2.012 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740175866 574946719 /nfs/dbraw/zinc/94/67/19/574946719.db2.gz TZOASMXSJQDGHM-NSHDSACASA-N -1 0 293.323 2.339 20 5 CEBDRM O=C([O-])c1coc(C(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000740259537 574950432 /nfs/dbraw/zinc/95/04/32/574950432.db2.gz XUHOTBWVUWWMEV-UHFFFAOYSA-N -1 0 291.215 2.148 20 5 CEBDRM O=C([O-])N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000740495992 574956360 /nfs/dbraw/zinc/95/63/60/574956360.db2.gz GYLAMQGJGQDIRQ-UHFFFAOYSA-N -1 0 279.296 2.397 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000740520204 574957745 /nfs/dbraw/zinc/95/77/45/574957745.db2.gz JYKFMMWXWSTNMB-ZETCQYMHSA-N -1 0 271.298 2.211 20 5 CEBDRM C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000820154810 598161279 /nfs/dbraw/zinc/16/12/79/598161279.db2.gz YRZGARGRGIRPJH-YFKPBYRVSA-N -1 0 267.266 2.090 20 5 CEBDRM C/C(=C/COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC000214598553 600728093 /nfs/dbraw/zinc/72/80/93/600728093.db2.gz KLMPNWBEDUURFA-DAXSKMNVSA-N -1 0 255.201 2.144 20 5 CEBDRM CCSCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000233812366 600818291 /nfs/dbraw/zinc/81/82/91/600818291.db2.gz ZPENLIIAJCOLPQ-UHFFFAOYSA-N -1 0 271.294 2.425 20 5 CEBDRM C[C@@H](CO)Sc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827518125 600827960 /nfs/dbraw/zinc/82/79/60/600827960.db2.gz YPHLANWARGCYTK-WGAJWPLOSA-N -1 0 283.305 2.166 20 5 CEBDRM C/C(=C/COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000825775021 601413529 /nfs/dbraw/zinc/41/35/29/601413529.db2.gz KEPVGGALIWUAJA-DAXSKMNVSA-N -1 0 299.666 2.436 20 5 CEBDRM C/C(=C\COC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000825769925 601424712 /nfs/dbraw/zinc/42/47/12/601424712.db2.gz UXKAOIWJYJYJBB-FNORWQNLSA-N -1 0 299.666 2.436 20 5 CEBDRM C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739192423 603407372 /nfs/dbraw/zinc/40/73/72/603407372.db2.gz KBQCSKIRSAOHQP-WPRPVWTQSA-N -1 0 297.286 2.216 20 5 CEBDRM CCC(CC)(CNc1cccnc1[N+](=O)[O-])NC(=O)[O-] ZINC000826566586 603524807 /nfs/dbraw/zinc/52/48/07/603524807.db2.gz PIJNPSOYERQFBY-UHFFFAOYSA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1ccnc(N(C)CC(C)(C)CNC(=O)[O-])c1[N+](=O)[O-] ZINC000830607060 603581469 /nfs/dbraw/zinc/58/14/69/603581469.db2.gz KRLUMILYXWTKRE-UHFFFAOYSA-N -1 0 296.327 2.028 20 5 CEBDRM Cc1ccc(NC(=O)[C@@H](C)CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830359162 604056684 /nfs/dbraw/zinc/05/66/84/604056684.db2.gz WADDSWSBBRMHQZ-VIFPVBQESA-N -1 0 295.295 2.088 20 5 CEBDRM Cc1cc(N2CC[C@H](N(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830072764 604224069 /nfs/dbraw/zinc/22/40/69/604224069.db2.gz JDBVAUCCGWLJBI-NSHDSACASA-N -1 0 279.296 2.092 20 5 CEBDRM Cc1ccc(OC(=O)[C@H](C)CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000830401685 604254048 /nfs/dbraw/zinc/25/40/48/604254048.db2.gz ZPWMSZWYSPLTQU-SECBINFHSA-N -1 0 296.279 2.055 20 5 CEBDRM O=C([O-])CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148400200 605013236 /nfs/dbraw/zinc/01/32/36/605013236.db2.gz QVBTXMKNIAPNII-UHFFFAOYSA-N -1 0 299.714 2.334 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](CSc2ccc([N+](=O)[O-])cn2)O1 ZINC000833582459 605238498 /nfs/dbraw/zinc/23/84/98/605238498.db2.gz VTIQUHLROVGSTP-SECBINFHSA-N -1 0 296.304 2.229 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccccc1[N+](=O)[O-] ZINC000825844583 605484463 /nfs/dbraw/zinc/48/44/63/605484463.db2.gz KIJAXPWVIYFOHV-VHSXEESVSA-N -1 0 279.296 2.220 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000833907526 605499775 /nfs/dbraw/zinc/49/97/75/605499775.db2.gz LKOGODDSLRVPII-MNOVXSKESA-N -1 0 293.323 2.386 20 5 CEBDRM CCOc1cc(NC[C@H](C)CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861358 605800545 /nfs/dbraw/zinc/80/05/45/605800545.db2.gz JUIULZJPMXWYRS-VIFPVBQESA-N -1 0 297.311 2.309 20 5 CEBDRM Cc1cccc(NCC2(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000235932051 625568477 /nfs/dbraw/zinc/56/84/77/625568477.db2.gz DCCLSRKPGZGNTJ-UHFFFAOYSA-N -1 0 250.254 2.180 20 5 CEBDRM C[C@@]1(C2CC2)COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000934480821 624529261 /nfs/dbraw/zinc/52/92/61/624529261.db2.gz ZGYDUSQHKUXXIP-HNNXBMFYSA-N -1 0 292.335 2.301 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCCCCO)c1 ZINC000236500506 625949744 /nfs/dbraw/zinc/94/97/44/625949744.db2.gz FYTGQBIPHYCTSD-UHFFFAOYSA-N -1 0 282.296 2.258 20 5 CEBDRM COc1cc(N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])cc1C ZINC000312743314 628493707 /nfs/dbraw/zinc/49/37/07/628493707.db2.gz YDKLERDTVJVDHR-VIFPVBQESA-N -1 0 282.296 2.069 20 5 CEBDRM COc1c(O)ccc(CN2CC[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000895726610 630317157 /nfs/dbraw/zinc/31/71/57/630317157.db2.gz BGTJVSNHGFOYTJ-MRVPVSSYSA-N -1 0 288.250 2.148 20 5 CEBDRM Cc1cc([N+](=O)[O-])c[n-]c1=NOCCOC(C)C ZINC000812489342 632537798 /nfs/dbraw/zinc/53/77/98/632537798.db2.gz YAJWVVHKSJAEOG-UHFFFAOYSA-N -1 0 255.274 2.067 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000900399607 633701580 /nfs/dbraw/zinc/70/15/80/633701580.db2.gz CDDWEIZWXGRSAB-WDEREUQCSA-N -1 0 294.282 2.281 20 5 CEBDRM CC(C)(CCNc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000818617386 633962109 /nfs/dbraw/zinc/96/21/09/633962109.db2.gz DAOHDVZAMFXYIZ-UHFFFAOYSA-N -1 0 267.285 2.090 20 5 CEBDRM CC(C)(CCNc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000818618813 633962714 /nfs/dbraw/zinc/96/27/14/633962714.db2.gz PYWDRRFMMBTCMV-UHFFFAOYSA-N -1 0 292.295 2.155 20 5 CEBDRM Cc1cc(N2CC[C@@H](CF)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000906148884 636624642 /nfs/dbraw/zinc/62/46/42/636624642.db2.gz MRLUOFPMFCCKAN-VIFPVBQESA-N -1 0 282.271 2.397 20 5 CEBDRM C/C(=C/CNc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000906149068 636625766 /nfs/dbraw/zinc/62/57/66/636625766.db2.gz OGWCQACDEUTCSS-UITAMQMPSA-N -1 0 250.254 2.346 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000834653277 637905880 /nfs/dbraw/zinc/90/58/80/637905880.db2.gz AJDWVAVVQBLTLM-PSASIEDQSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(N2C[C@H](C)OC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910343857 638009168 /nfs/dbraw/zinc/00/91/68/638009168.db2.gz NYLJBZMFPYAETA-UWVGGRQHSA-N -1 0 294.307 2.215 20 5 CEBDRM CC[C@H]1CC[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837574509 639288841 /nfs/dbraw/zinc/28/88/41/639288841.db2.gz QPHBXDOHOWNLNV-AAEUAGOBSA-N -1 0 295.291 2.301 20 5 CEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000844209081 640632933 /nfs/dbraw/zinc/63/29/33/640632933.db2.gz FHXKSUQJBQZPTN-NXEZZACHSA-N -1 0 278.308 2.314 20 5 CEBDRM CC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)O ZINC000844210723 640633043 /nfs/dbraw/zinc/63/30/43/640633043.db2.gz FRPLJRNYMAVMHP-JTAJDHSHSA-N -1 0 294.307 2.264 20 5 CEBDRM CC1(C)CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844211010 640633062 /nfs/dbraw/zinc/63/30/62/640633062.db2.gz DTRFGKCAJCLBLR-UHFFFAOYSA-N -1 0 278.308 2.458 20 5 CEBDRM CCO[N-]C(=O)CNc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000845714471 641056247 /nfs/dbraw/zinc/05/62/47/641056247.db2.gz FKAYZMSSIYCUTN-UHFFFAOYSA-N -1 0 287.703 2.036 20 5 CEBDRM CCO[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000859863506 645637960 /nfs/dbraw/zinc/63/79/60/645637960.db2.gz ARPHHOZHGJIKKB-ZDUSSCGKSA-N -1 0 295.291 2.159 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000871032165 648984506 /nfs/dbraw/zinc/98/45/06/648984506.db2.gz MICSNMWIZLVYGJ-LBPRGKRZSA-N -1 0 296.348 2.316 20 5 CEBDRM COc1cccc(NCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000134890189 652886587 /nfs/dbraw/zinc/88/65/87/652886587.db2.gz ONVFCAJXUZWUNM-UHFFFAOYSA-N -1 0 268.269 2.126 20 5 CEBDRM C[C@@H]1CC[C@@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C[C@@H]1C ZINC001226332524 805581754 /nfs/dbraw/zinc/58/17/54/805581754.db2.gz VRQWHYFFKILIKE-HRDYMLBCSA-N -1 0 267.285 2.294 20 5 CEBDRM Cc1cc(NCC2(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000138973879 807240679 /nfs/dbraw/zinc/24/06/79/807240679.db2.gz LGEJOMOVVHUNMT-UHFFFAOYSA-N -1 0 250.254 2.180 20 5 CEBDRM Cc1cccc2c1C(=O)N[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)N2 ZINC000917417478 807942777 /nfs/dbraw/zinc/94/27/77/807942777.db2.gz ZQJRKXKQHGXNAO-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM CC1(C)C[C@H](COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC001123375619 815511718 /nfs/dbraw/zinc/51/17/18/815511718.db2.gz LRDFXTJVHFKEDT-SECBINFHSA-N -1 0 282.296 2.285 20 5 CEBDRM Cc1cnc(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174501994 816029029 /nfs/dbraw/zinc/02/90/29/816029029.db2.gz BDLQQSDBIRPCRA-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM Cc1c[nH]c(=O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174502647 816029642 /nfs/dbraw/zinc/02/96/42/816029642.db2.gz DOURMDVUJMZWGO-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM Nc1cccc(O)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680376 816453900 /nfs/dbraw/zinc/45/39/00/816453900.db2.gz RGAUHWDDVGCDIU-UHFFFAOYSA-N -1 0 289.247 2.324 20 5 CEBDRM O=C([O-])c1cc(Nc2cnc3cnccn32)cc([N+](=O)[O-])c1 ZINC001176678687 816454096 /nfs/dbraw/zinc/45/40/96/816454096.db2.gz XQMOSQJEHUNSDH-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM COc1ccnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176673603 816454194 /nfs/dbraw/zinc/45/41/94/816454194.db2.gz XQMDLUWVTOWFNO-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM O=C([O-])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000035084605 361808683 /nfs/dbraw/zinc/80/86/83/361808683.db2.gz UWHPOXNNWOGSEK-UHFFFAOYSA-N -1 0 264.159 2.110 20 5 CEBDRM CCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cn2)[n-]1 ZINC000601931933 346929301 /nfs/dbraw/zinc/92/93/01/346929301.db2.gz HMFJMHCWWZHVAK-UHFFFAOYSA-N -1 0 262.269 2.273 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CCC2 ZINC000601939586 346933756 /nfs/dbraw/zinc/93/37/56/346933756.db2.gz MVQIHUZVULBAGA-VIFPVBQESA-N -1 0 259.265 2.406 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c([C@@H]2CCOC2)cc1=O ZINC000601941409 346934516 /nfs/dbraw/zinc/93/45/16/346934516.db2.gz WCVJDWXGXYZDLQ-SNVBAGLBSA-N -1 0 289.291 2.032 20 5 CEBDRM CC(C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000601944683 346937552 /nfs/dbraw/zinc/93/75/52/346937552.db2.gz YPDUANATBVAIRD-UHFFFAOYSA-N -1 0 265.244 2.483 20 5 CEBDRM Cc1cc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000567984573 299104560 /nfs/dbraw/zinc/10/45/60/299104560.db2.gz SMTNJFMIZJCRBM-QMTHXVAHSA-N -1 0 278.308 2.450 20 5 CEBDRM COCCCn1ccc([N-]c2ncc(C)cc2[N+](=O)[O-])n1 ZINC000078667942 343960704 /nfs/dbraw/zinc/96/07/04/343960704.db2.gz FYBFBLNJLMDVLQ-UHFFFAOYSA-N -1 0 291.311 2.275 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC2(CCC2)C1 ZINC000093639903 344226944 /nfs/dbraw/zinc/22/69/44/344226944.db2.gz FLRZNFQIIDGCDQ-UHFFFAOYSA-N -1 0 278.308 2.055 20 5 CEBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427304 344188547 /nfs/dbraw/zinc/18/85/47/344188547.db2.gz HFMPLDRPGJELHF-CYBMUJFWSA-N -1 0 280.324 2.301 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cocn1 ZINC000105368122 344256673 /nfs/dbraw/zinc/25/66/73/344256673.db2.gz SHOLSTZQKGBAOE-UHFFFAOYSA-N -1 0 299.189 2.437 20 5 CEBDRM CCOc1cccc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c1[N+](=O)[O-] ZINC000134888797 344378435 /nfs/dbraw/zinc/37/84/35/344378435.db2.gz HGDJOCNALQBJLY-UWVGGRQHSA-N -1 0 294.307 2.293 20 5 CEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000134981607 344379365 /nfs/dbraw/zinc/37/93/65/344379365.db2.gz JBAOGUAUJWBTIM-SNVBAGLBSA-N -1 0 293.323 2.317 20 5 CEBDRM C[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000166778029 344476915 /nfs/dbraw/zinc/47/69/15/344476915.db2.gz ODNXXJZGRDNPQF-HTQZYQBOSA-N -1 0 297.336 2.018 20 5 CEBDRM CC1(C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000166876064 344477300 /nfs/dbraw/zinc/47/73/00/344477300.db2.gz HTXWMSWEVMTIDP-UHFFFAOYSA-N -1 0 297.336 2.020 20 5 CEBDRM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000225799046 344547349 /nfs/dbraw/zinc/54/73/49/344547349.db2.gz PIGDKWCHFCJIFG-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000311411058 344733690 /nfs/dbraw/zinc/73/36/90/344733690.db2.gz YWVVDPQLWBTQKR-NXEZZACHSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[C@H]2C)n1 ZINC000584722103 344980079 /nfs/dbraw/zinc/98/00/79/344980079.db2.gz HRDBXOQIJDUXBH-HZGVNTEJSA-N -1 0 265.269 2.207 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[C@@H]2C)n1 ZINC000584722111 344980280 /nfs/dbraw/zinc/98/02/80/344980280.db2.gz HRDBXOQIJDUXBH-RCOVLWMOSA-N -1 0 265.269 2.207 20 5 CEBDRM CCC[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592966686 345417257 /nfs/dbraw/zinc/41/72/57/345417257.db2.gz UEKOEQVQHBPQRF-ZETCQYMHSA-N -1 0 267.285 2.019 20 5 CEBDRM Cc1cc(NC[C@H]2CC[C@@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592975439 345417625 /nfs/dbraw/zinc/41/76/25/345417625.db2.gz OPSMNECFAMAMIX-GXSJLCMTSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1cc(NC[C@H]2CC[C@H](O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592975610 345417817 /nfs/dbraw/zinc/41/78/17/345417817.db2.gz UZBMVNZMEJMYJA-UWVGGRQHSA-N -1 0 294.307 2.174 20 5 CEBDRM CO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592975633 345417864 /nfs/dbraw/zinc/41/78/64/345417864.db2.gz WRCULPSFCFPYDF-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2C[C@H]2C(C)C)n1 ZINC000592980215 345418457 /nfs/dbraw/zinc/41/84/57/345418457.db2.gz VYXCIPAKOQZCGH-UWVGGRQHSA-N -1 0 293.323 2.122 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593320690 345466671 /nfs/dbraw/zinc/46/66/71/345466671.db2.gz DDEIPUXMXNJLOB-SECBINFHSA-N -1 0 287.275 2.054 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000593326125 345467151 /nfs/dbraw/zinc/46/71/51/345467151.db2.gz DESCYZXTWGEKES-NSHDSACASA-N -1 0 289.291 2.442 20 5 CEBDRM O=C([O-])[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC=CCC1 ZINC000593925187 345553022 /nfs/dbraw/zinc/55/30/22/345553022.db2.gz QHVQSTHJZXAOKW-AWEZNQCLSA-N -1 0 290.275 2.344 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](CC(=O)[O-])C1CC1 ZINC000594736601 345682052 /nfs/dbraw/zinc/68/20/52/345682052.db2.gz SVCFUIYWTQAZDE-SNVBAGLBSA-N -1 0 296.327 2.032 20 5 CEBDRM CC[C@H](C)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595245602 345747085 /nfs/dbraw/zinc/74/70/85/345747085.db2.gz XJZKNPILAYKKRC-VIFPVBQESA-N -1 0 294.307 2.459 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccn1 ZINC000160333204 232250491 /nfs/dbraw/zinc/25/04/91/232250491.db2.gz HRDFOZUITBSTPF-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cnc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000595978297 345920556 /nfs/dbraw/zinc/92/05/56/345920556.db2.gz UFMMAWNBSMKONV-SNVBAGLBSA-N -1 0 279.296 2.211 20 5 CEBDRM CC(=O)c1cc(NCC2(C(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000595978592 345920649 /nfs/dbraw/zinc/92/06/49/345920649.db2.gz ZPHNZEJIKJLDSJ-UHFFFAOYSA-N -1 0 292.291 2.464 20 5 CEBDRM CO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000597440701 346185974 /nfs/dbraw/zinc/18/59/74/346185974.db2.gz CFECJIUCDFBTMA-ZDUSSCGKSA-N -1 0 294.307 2.444 20 5 CEBDRM CO[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000597491271 346193270 /nfs/dbraw/zinc/19/32/70/346193270.db2.gz IHWMWHFSMOZCNR-PSASIEDQSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000597829507 346237116 /nfs/dbraw/zinc/23/71/16/346237116.db2.gz MLQJBEDYBUIEIK-CABZTGNLSA-N -1 0 276.292 2.315 20 5 CEBDRM CC1(C)CC(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000598505580 346367079 /nfs/dbraw/zinc/36/70/79/346367079.db2.gz SVAWSTNKCMYZJP-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598550654 346373600 /nfs/dbraw/zinc/37/36/00/346373600.db2.gz MMPRWZUQIMWAEU-VIFPVBQESA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(CC2CC2)C1 ZINC000598782306 346419500 /nfs/dbraw/zinc/41/95/00/346419500.db2.gz YCYASAWPPAXWAG-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000339229302 215027424 /nfs/dbraw/zinc/02/74/24/215027424.db2.gz GORIODLPCMLRGV-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600167526 346611785 /nfs/dbraw/zinc/61/17/85/346611785.db2.gz GKEZUCFEYKITFD-JFGNBEQYSA-N -1 0 290.319 2.466 20 5 CEBDRM CCN(CC(C)C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236917493 370655057 /nfs/dbraw/zinc/65/50/57/370655057.db2.gz VQHOWQZXHBOUSP-UHFFFAOYSA-N -1 0 294.307 2.411 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cnoc2)cc1C ZINC000604542350 347420822 /nfs/dbraw/zinc/42/08/22/347420822.db2.gz ONPBBPKKECMHLK-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CN(CCCC(=O)[O-])c1c2ccccc2ncc1[N+](=O)[O-] ZINC000130322052 365944732 /nfs/dbraw/zinc/94/47/32/365944732.db2.gz TVVCKNGAHUTUQJ-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(F)c(F)c2)[nH]1 ZINC000352012272 219289045 /nfs/dbraw/zinc/28/90/45/219289045.db2.gz ALYZRHPVXYRVJE-DUXPYHPUSA-N -1 0 295.201 2.245 20 5 CEBDRM Cc1cnccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000107357120 186172540 /nfs/dbraw/zinc/17/25/40/186172540.db2.gz BDQHILZOWMFRQB-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108655515 186225963 /nfs/dbraw/zinc/22/59/63/186225963.db2.gz WZQKDSXKQVPBSE-NXEZZACHSA-N -1 0 292.291 2.424 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000339790441 215340776 /nfs/dbraw/zinc/34/07/76/215340776.db2.gz CEDBBLODNHTJLO-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(Nc1nccs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000016482967 304019029 /nfs/dbraw/zinc/01/90/29/304019029.db2.gz COKDEASXAKBFOZ-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000271486665 191167473 /nfs/dbraw/zinc/16/74/73/191167473.db2.gz JYPCFYIAUMKLEJ-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CC(C)(C)C[C@H](O)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000292163193 198187878 /nfs/dbraw/zinc/18/78/78/198187878.db2.gz NGSUCLICKRGQLB-SNVBAGLBSA-N -1 0 296.323 2.426 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151123224 187945382 /nfs/dbraw/zinc/94/53/82/187945382.db2.gz HQAQJGPKZMZFLT-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM Cc1cc(C(=O)NCCCCCC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000135207604 366408894 /nfs/dbraw/zinc/40/88/94/366408894.db2.gz SJYYCECXACMUJO-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM CC(=O)c1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000578511145 366504930 /nfs/dbraw/zinc/50/49/30/366504930.db2.gz KQIGDCVZIYIFFM-VHSXEESVSA-N -1 0 292.291 2.463 20 5 CEBDRM CC[C@H](COC)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000079768693 363627429 /nfs/dbraw/zinc/62/74/29/363627429.db2.gz OXQQZEUABXSLPL-MRVPVSSYSA-N -1 0 268.269 2.130 20 5 CEBDRM CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031376425 361712506 /nfs/dbraw/zinc/71/25/06/361712506.db2.gz CWPKXWAVMBKZAT-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CCC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000087489833 363858227 /nfs/dbraw/zinc/85/82/27/363858227.db2.gz XTTPRWGWMPVITR-SNVBAGLBSA-N -1 0 294.307 2.134 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000086752225 363838866 /nfs/dbraw/zinc/83/88/66/363838866.db2.gz BUQINIISKNFGRE-QMMMGPOBSA-N -1 0 272.326 2.341 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000086752224 363839551 /nfs/dbraw/zinc/83/95/51/363839551.db2.gz BUQINIISKNFGRE-MRVPVSSYSA-N -1 0 272.326 2.341 20 5 CEBDRM CS[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092549157 364080291 /nfs/dbraw/zinc/08/02/91/364080291.db2.gz BQFHCAFWIAGHLW-ZETCQYMHSA-N -1 0 270.310 2.381 20 5 CEBDRM COCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000092546695 364080806 /nfs/dbraw/zinc/08/08/06/364080806.db2.gz LIHIWTRCXUEGSR-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[C@H]2C)n1 ZINC000572124354 299347994 /nfs/dbraw/zinc/34/79/94/299347994.db2.gz RZGAMYONTOBFCH-IONNQARKSA-N -1 0 279.296 2.231 20 5 CEBDRM O=C([O-])c1ccccc1-c1cc(CO)cc([N+](=O)[O-])c1 ZINC000572528223 299376507 /nfs/dbraw/zinc/37/65/07/299376507.db2.gz ZEDJPPQFFSPLAL-UHFFFAOYSA-N -1 0 273.244 2.452 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185448053 368807903 /nfs/dbraw/zinc/80/79/03/368807903.db2.gz UPMBZWSBSQQWRY-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186355044 368962789 /nfs/dbraw/zinc/96/27/89/368962789.db2.gz SPWBBQAXZPDXBP-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM CC1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000188451140 369358325 /nfs/dbraw/zinc/35/83/25/369358325.db2.gz HEWYFEYBFZKHSL-UHFFFAOYSA-N -1 0 279.296 2.006 20 5 CEBDRM CC(=O)CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000192986122 369879668 /nfs/dbraw/zinc/87/96/68/369879668.db2.gz PHJMWXLLKOOSCH-UHFFFAOYSA-N -1 0 286.671 2.262 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])nc1 ZINC000194740338 370070643 /nfs/dbraw/zinc/07/06/43/370070643.db2.gz DWXFDGSLPMCEHU-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCCN(CC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225793903 370319681 /nfs/dbraw/zinc/31/96/81/370319681.db2.gz MPTCYSPDMAYHOQ-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000225820628 370320880 /nfs/dbraw/zinc/32/08/80/370320880.db2.gz MNPSNSHDIPJJNF-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM CC1=CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000229824786 370431160 /nfs/dbraw/zinc/43/11/60/370431160.db2.gz OMKFCLIELSMDDL-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM Cc1cc(NCCCC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000261592095 371666874 /nfs/dbraw/zinc/66/68/74/371666874.db2.gz YFESSJXKQSVASA-UHFFFAOYSA-N -1 0 256.233 2.319 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269278343 372405255 /nfs/dbraw/zinc/40/52/55/372405255.db2.gz KELCFFMPTFPTIX-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000263273145 297344083 /nfs/dbraw/zinc/34/40/83/297344083.db2.gz WFNFPPHTVDOYOU-BDAKNGLRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000272687586 373617482 /nfs/dbraw/zinc/61/74/82/373617482.db2.gz PPAWHAXVWRGUFU-UWVGGRQHSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC2(C1)CCCC2 ZINC000376130685 374696183 /nfs/dbraw/zinc/69/61/83/374696183.db2.gz VMLWWBMLUHWFCI-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CSCCONC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000279952020 375041953 /nfs/dbraw/zinc/04/19/53/375041953.db2.gz IZXLSGFBBGEAEH-UHFFFAOYSA-N -1 0 290.728 2.273 20 5 CEBDRM CC(C)SCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000389073834 375299158 /nfs/dbraw/zinc/29/91/58/375299158.db2.gz XYIIAPANQVDETC-UHFFFAOYSA-N -1 0 285.325 2.242 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CSC[C@H]2C)n1 ZINC000573971888 299465999 /nfs/dbraw/zinc/46/59/99/299465999.db2.gz YBGQJOJGJZOKBH-MUWHJKNJSA-N -1 0 297.336 2.160 20 5 CEBDRM CC(=O)c1ccc(N[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000416428391 376068180 /nfs/dbraw/zinc/06/81/80/376068180.db2.gz UKBJNIVDLTZNCP-SSDOTTSWSA-N -1 0 266.253 2.073 20 5 CEBDRM CC(C)SCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000287106222 376151829 /nfs/dbraw/zinc/15/18/29/376151829.db2.gz PRKDPYJGYXRWRO-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC[C@H]1CO[C@@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330417252 377123275 /nfs/dbraw/zinc/12/32/75/377123275.db2.gz DPUOXBGNJHPXTA-JQWIXIFHSA-N -1 0 280.324 2.300 20 5 CEBDRM CC[C@H]1CO[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330417253 377123330 /nfs/dbraw/zinc/12/33/30/377123330.db2.gz DPUOXBGNJHPXTA-PWSUYJOCSA-N -1 0 280.324 2.300 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000424971182 377317011 /nfs/dbraw/zinc/31/70/11/377317011.db2.gz QKJPNLFVQRONEL-WDEREUQCSA-N -1 0 276.292 2.219 20 5 CEBDRM CC(C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427910666 377466414 /nfs/dbraw/zinc/46/64/14/377466414.db2.gz BWKFIWLPKFAPIR-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CN(CC1CCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000332491049 377621981 /nfs/dbraw/zinc/62/19/81/377621981.db2.gz SRGTZGPESBUCOD-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408412571 297363585 /nfs/dbraw/zinc/36/35/85/297363585.db2.gz CBRVKYCZONLUOS-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])c1nccs1 ZINC000552169623 380690511 /nfs/dbraw/zinc/69/05/11/380690511.db2.gz WDAORAHKIJEWHH-UHFFFAOYSA-N -1 0 279.277 2.034 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236876521 130982131 /nfs/dbraw/zinc/98/21/31/130982131.db2.gz UNUMJUISQNYWBZ-BDAKNGLRSA-N -1 0 294.307 2.457 20 5 CEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000331947537 394634530 /nfs/dbraw/zinc/63/45/30/394634530.db2.gz JNXZFDFGWIKCSZ-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM COCCCn1ccc([N-]c2ncc([N+](=O)[O-])s2)n1 ZINC000281848316 394862486 /nfs/dbraw/zinc/86/24/86/394862486.db2.gz JGSUVUXUOYQKLG-UHFFFAOYSA-N -1 0 283.313 2.028 20 5 CEBDRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])nc1 ZINC000130326481 394885812 /nfs/dbraw/zinc/88/58/12/394885812.db2.gz BSCLNRIJJCLDBC-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CO[C@@H](CC(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000416177401 395027477 /nfs/dbraw/zinc/02/74/77/395027477.db2.gz IFYUXJFFQYKPTC-LBPRGKRZSA-N -1 0 282.296 2.300 20 5 CEBDRM C[C@@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000416426688 395061261 /nfs/dbraw/zinc/06/12/61/395061261.db2.gz NKOKSYWGHNXMCY-LURJTMIESA-N -1 0 290.222 2.471 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436561693 395128150 /nfs/dbraw/zinc/12/81/50/395128150.db2.gz IQOMQKQWSJDCFV-KOLCDFICSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)n1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436622182 395135454 /nfs/dbraw/zinc/13/54/54/395135454.db2.gz XAMIJDSJWHCONS-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CCC(CC)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436669379 395141949 /nfs/dbraw/zinc/14/19/49/395141949.db2.gz KRKZEQWKXIBAQB-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000436902113 395160976 /nfs/dbraw/zinc/16/09/76/395160976.db2.gz SPFPZLUPXVJQAS-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436806825 395154996 /nfs/dbraw/zinc/15/49/96/395154996.db2.gz WJOXMAPWYJZLIP-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM Cc1nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1 ZINC000436974684 395169653 /nfs/dbraw/zinc/16/96/53/395169653.db2.gz AOVMERIXDUWMLG-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=C(NC[C@@H]1Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179438751 395193500 /nfs/dbraw/zinc/19/35/00/395193500.db2.gz RSASJRMZFHGEQK-NSHDSACASA-N -1 0 298.298 2.370 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000412383486 395357613 /nfs/dbraw/zinc/35/76/13/395357613.db2.gz LFPWIMLGPVWALR-JTQLQIEISA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444483099 395433669 /nfs/dbraw/zinc/43/36/69/395433669.db2.gz NIUNYRXPHLGVQF-WPRPVWTQSA-N -1 0 264.281 2.219 20 5 CEBDRM CCC[C@@](C)(O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565719387 395482164 /nfs/dbraw/zinc/48/21/64/395482164.db2.gz WFMQYHOAUYHSSN-CQSZACIVSA-N -1 0 296.323 2.185 20 5 CEBDRM CC1=C[C@@H](C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000568634743 395563727 /nfs/dbraw/zinc/56/37/27/395563727.db2.gz RXGQCWBQMZMMNZ-MRVPVSSYSA-N -1 0 277.280 2.090 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000574404544 395629396 /nfs/dbraw/zinc/62/93/96/395629396.db2.gz WCHHTFOWYIJIQR-KCJUWKMLSA-N -1 0 292.291 2.097 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000217316636 153295250 /nfs/dbraw/zinc/29/52/50/153295250.db2.gz ZALLRIOESBWUIR-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1c(CNC(=O)CC(C)(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000231883030 153410433 /nfs/dbraw/zinc/41/04/33/153410433.db2.gz OPIPHXAEYLGMSR-UHFFFAOYSA-N -1 0 294.307 2.020 20 5 CEBDRM CC(C)C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263444902 154093098 /nfs/dbraw/zinc/09/30/98/154093098.db2.gz YHFBWRKAHAEHEB-VIFPVBQESA-N -1 0 271.248 2.040 20 5 CEBDRM CCC(=O)c1ccc(N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263563981 154125090 /nfs/dbraw/zinc/12/50/90/154125090.db2.gz UPSWUVVVAMWFPW-SECBINFHSA-N -1 0 294.307 2.344 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000219463123 287056964 /nfs/dbraw/zinc/05/69/64/287056964.db2.gz GJUHAZQXLUXJTF-SNVBAGLBSA-N -1 0 264.281 2.315 20 5 CEBDRM CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000035095220 171974057 /nfs/dbraw/zinc/97/40/57/171974057.db2.gz IIHYBDWPTJYUCN-NSHDSACASA-N -1 0 294.307 2.276 20 5 CEBDRM CC1=CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000230812856 414846953 /nfs/dbraw/zinc/84/69/53/414846953.db2.gz KUPWCAYOOYXSNT-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747687 175243229 /nfs/dbraw/zinc/24/32/29/175243229.db2.gz HZDSYWKHGXWVJV-LBPRGKRZSA-N -1 0 294.307 2.276 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000458114920 289878401 /nfs/dbraw/zinc/87/84/01/289878401.db2.gz NRGLTEBFFCCBKH-GXSJLCMTSA-N -1 0 264.281 2.075 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184596847 262287942 /nfs/dbraw/zinc/28/79/42/262287942.db2.gz MSRPIYONDFYXLD-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM O=C(Nc1cccc2[nH]cnc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118954109 279745102 /nfs/dbraw/zinc/74/51/02/279745102.db2.gz LGMQUIHMASSBKK-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151473434 289059364 /nfs/dbraw/zinc/05/93/64/289059364.db2.gz OMVVJJQLRZUBEF-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000458249583 289903069 /nfs/dbraw/zinc/90/30/69/289903069.db2.gz CUWQNXYIQUSTAA-UBHAPETDSA-N -1 0 276.292 2.219 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)CC(=O)[O-] ZINC000416428834 293301116 /nfs/dbraw/zinc/30/11/16/293301116.db2.gz WDVSVZNBFCEUSB-QMMMGPOBSA-N -1 0 268.269 2.016 20 5 CEBDRM CO[C@](C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000291960719 294748845 /nfs/dbraw/zinc/74/88/45/294748845.db2.gz RKXWLIKKXKXDDM-ZDUSSCGKSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC12CCC2 ZINC000408417660 304524862 /nfs/dbraw/zinc/52/48/62/304524862.db2.gz ZYQVYUCQMWJIQC-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000153749269 299960199 /nfs/dbraw/zinc/96/01/99/299960199.db2.gz HZUCWNGLOPGEKQ-VHSXEESVSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000163968748 300479898 /nfs/dbraw/zinc/47/98/98/300479898.db2.gz REGNKCYPBBYAFY-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM CC1(CCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000516184872 313083593 /nfs/dbraw/zinc/08/35/93/313083593.db2.gz IDIBKMUDSDNISI-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM CCC1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000564212608 313758947 /nfs/dbraw/zinc/75/89/47/313758947.db2.gz CRICSQFMUHRLTA-UHFFFAOYSA-N -1 0 284.699 2.436 20 5 CEBDRM CC[C@@H](C)[C@@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572043070 314118355 /nfs/dbraw/zinc/11/83/55/314118355.db2.gz GTTBZQSRRJYUIV-RNCFNFMXSA-N -1 0 296.323 2.041 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000573447237 314157991 /nfs/dbraw/zinc/15/79/91/314157991.db2.gz DAAQRNIYXTWCQG-GIPNMCIBSA-N -1 0 292.291 2.272 20 5 CEBDRM C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)CC(=O)[O-] ZINC000574162791 314192480 /nfs/dbraw/zinc/19/24/80/314192480.db2.gz RGIGZAQOOFLTNA-VIFPVBQESA-N -1 0 289.291 2.088 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000577182516 314350147 /nfs/dbraw/zinc/35/01/47/314350147.db2.gz NFLWSIYPVGVAEU-RKDXNWHRSA-N -1 0 293.323 2.479 20 5 CEBDRM Cc1cc(NC[C@@](C)(O)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578195516 314454714 /nfs/dbraw/zinc/45/47/14/314454714.db2.gz ASBDUABIEYYTTE-CQSZACIVSA-N -1 0 296.323 2.420 20 5 CEBDRM O=C([O-])c1cc(N2CCC=C(F)C2)ccc1[N+](=O)[O-] ZINC000383703062 321849731 /nfs/dbraw/zinc/84/97/31/321849731.db2.gz OJZODHFMWWNYCV-UHFFFAOYSA-N -1 0 266.228 2.357 20 5 CEBDRM Cc1cccc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000580927075 322354547 /nfs/dbraw/zinc/35/45/47/322354547.db2.gz KTGDNEOPOYUCMF-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000581586649 322407955 /nfs/dbraw/zinc/40/79/55/322407955.db2.gz ZFIOUCKDIKPDMR-MVZIDQBPSA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(N2CCCO[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582362535 322466604 /nfs/dbraw/zinc/46/66/04/322466604.db2.gz LBSDGQRJQZERBA-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1[C@@H]2CCC[C@H]12 ZINC000183900849 527235531 /nfs/dbraw/zinc/23/55/31/527235531.db2.gz ABQSMNUQLHCNII-USUYBEQLSA-N -1 0 262.265 2.285 20 5 CEBDRM O=Cc1ccc(-c2nccc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC000874973266 649877936 /nfs/dbraw/zinc/87/79/36/649877936.db2.gz ZIFHUIHIKVDMSR-UHFFFAOYSA-N -1 0 278.245 2.229 20 5 CEBDRM CC(C)[C@@H](CNc1ccccc1[N+](=O)[O-])NC(=O)[O-] ZINC000738788736 574714771 /nfs/dbraw/zinc/71/47/71/574714771.db2.gz KLDOQZDCFCJGAL-SNVBAGLBSA-N -1 0 267.285 2.299 20 5 CEBDRM Cc1cc(C)c(OC(=O)CCCNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000738358390 574859114 /nfs/dbraw/zinc/85/91/14/574859114.db2.gz MVLYGTQXPHRTRE-UHFFFAOYSA-N -1 0 296.279 2.165 20 5 CEBDRM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCCCC1CC1 ZINC000738357555 574859408 /nfs/dbraw/zinc/85/94/08/574859408.db2.gz FHGAVZNRRXCDHF-UHFFFAOYSA-N -1 0 288.311 2.377 20 5 CEBDRM C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739190562 574898577 /nfs/dbraw/zinc/89/85/77/574898577.db2.gz ODNOISIFUZOCGI-PHIMTYICSA-N -1 0 293.323 2.167 20 5 CEBDRM C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739190478 574898821 /nfs/dbraw/zinc/89/88/21/574898821.db2.gz NLJIMXVXSNUTLI-GHMZBOCLSA-N -1 0 293.323 2.167 20 5 CEBDRM CCN(CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000739400007 574916457 /nfs/dbraw/zinc/91/64/57/574916457.db2.gz PSGRICUQSNSQGQ-SECBINFHSA-N -1 0 296.279 2.199 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000739593895 574928189 /nfs/dbraw/zinc/92/81/89/574928189.db2.gz IOTVQNHECPEURD-UHFFFAOYSA-N -1 0 279.296 2.173 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCCN(C(=O)[O-])C1 ZINC000740095410 574942035 /nfs/dbraw/zinc/94/20/35/574942035.db2.gz ATRJZTMXEDKNBX-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])CCCCCNc1cccnc1[N+](=O)[O-] ZINC000819413732 597140849 /nfs/dbraw/zinc/14/08/49/597140849.db2.gz GDSGXANGAAJUDK-UHFFFAOYSA-N -1 0 253.258 2.047 20 5 CEBDRM CC[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000820425382 598161578 /nfs/dbraw/zinc/16/15/78/598161578.db2.gz IZLRZWVHLOQOFE-SSDOTTSWSA-N -1 0 281.293 2.480 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1OC/C=C(\C)C(=O)[O-] ZINC000214702619 601099114 /nfs/dbraw/zinc/09/91/14/601099114.db2.gz FWKUEJYDWMPEAT-VMPITWQZSA-N -1 0 267.237 2.013 20 5 CEBDRM CC(C)N(CC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000820019895 601312108 /nfs/dbraw/zinc/31/21/08/601312108.db2.gz RZNAUDYZVPCZFA-UHFFFAOYSA-N -1 0 293.279 2.031 20 5 CEBDRM C/C(=C/COC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000825781476 601405191 /nfs/dbraw/zinc/40/51/91/601405191.db2.gz WDCAOUQQSNLBAN-TWGQIWQCSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830256772 603928661 /nfs/dbraw/zinc/92/86/61/603928661.db2.gz LLFIYPWVOUOFNI-VIFPVBQESA-N -1 0 296.279 2.117 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000825279936 604054650 /nfs/dbraw/zinc/05/46/50/604054650.db2.gz DIAZHEBJNFIKCZ-GHMZBOCLSA-N -1 0 293.323 2.467 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc([N+](=O)[O-])c(C)c2)O1 ZINC000833581886 604887906 /nfs/dbraw/zinc/88/79/06/604887906.db2.gz ZIMCPZPYLICXRR-NSHDSACASA-N -1 0 293.275 2.430 20 5 CEBDRM C[C@@H](Nc1ccc(C(=O)[O-])nn1)c1ccccc1[N+](=O)[O-] ZINC000833524163 605052699 /nfs/dbraw/zinc/05/26/99/605052699.db2.gz BUBLYXITKIEUKL-MRVPVSSYSA-N -1 0 288.263 2.256 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000833580856 605235579 /nfs/dbraw/zinc/23/55/79/605235579.db2.gz SGJIZNNOERVNMQ-VIFPVBQESA-N -1 0 297.238 2.260 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cccc(C)c2[N+](=O)[O-])O1 ZINC000833579746 605238500 /nfs/dbraw/zinc/23/85/00/605238500.db2.gz OTKSPDBPYRHBRW-SNVBAGLBSA-N -1 0 293.275 2.430 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000833814850 605497742 /nfs/dbraw/zinc/49/77/42/605497742.db2.gz DPBZOKVCKXCZMM-UWVGGRQHSA-N -1 0 279.296 2.077 20 5 CEBDRM O=C([O-])N1CC(CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834069286 605731155 /nfs/dbraw/zinc/73/11/55/605731155.db2.gz VHGJPDZKBPCXMH-UHFFFAOYSA-N -1 0 285.687 2.270 20 5 CEBDRM C[C@]1(C2CC2)COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000934480824 624528718 /nfs/dbraw/zinc/52/87/18/624528718.db2.gz ZGYDUSQHKUXXIP-OAHLLOKOSA-N -1 0 292.335 2.301 20 5 CEBDRM CCCCN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC000312634549 628329977 /nfs/dbraw/zinc/32/99/77/628329977.db2.gz IWNMZHZAZZUJSU-UHFFFAOYSA-N -1 0 279.296 2.457 20 5 CEBDRM Cc1cc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])s1 ZINC000900933792 633894350 /nfs/dbraw/zinc/89/43/50/633894350.db2.gz KSWLYBWDWPUWGX-UHFFFAOYSA-N -1 0 270.310 2.266 20 5 CEBDRM CCC(CC)(CNc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000818622827 633965021 /nfs/dbraw/zinc/96/50/21/633965021.db2.gz FMMACFRBQPMCFQ-UHFFFAOYSA-N -1 0 281.312 2.480 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@](F)(C(=O)[O-])C1 ZINC000901518959 634174742 /nfs/dbraw/zinc/17/47/42/634174742.db2.gz NLKNSYLXIUBJTP-CQSZACIVSA-N -1 0 296.298 2.210 20 5 CEBDRM O=C([O-])/C=C/c1ccc(N2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906148931 636624735 /nfs/dbraw/zinc/62/47/35/636624735.db2.gz NROUKFYFBLEHLZ-JRBALWBOSA-N -1 0 294.282 2.488 20 5 CEBDRM C/C(=C\CNc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000906148721 636624871 /nfs/dbraw/zinc/62/48/71/636624871.db2.gz KAAJATQWVAJKOT-VMPITWQZSA-N -1 0 250.254 2.346 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000834650694 637904780 /nfs/dbraw/zinc/90/47/80/637904780.db2.gz QTWBTZJCIVDTDM-DTWKUNHWSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(N2C[C@@H]3C[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910343730 638008528 /nfs/dbraw/zinc/00/85/28/638008528.db2.gz FRDSJKYFENYSEE-DTORHVGOSA-N -1 0 262.265 2.058 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000910354780 638025446 /nfs/dbraw/zinc/02/54/46/638025446.db2.gz BVJFWDRJSZROFW-NSHDSACASA-N -1 0 262.265 2.186 20 5 CEBDRM O=C([O-])CCN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000910429190 638045453 /nfs/dbraw/zinc/04/54/53/638045453.db2.gz PJLFRLORFYBWQN-CYBMUJFWSA-N -1 0 294.307 2.055 20 5 CEBDRM CCOc1cc(N2CC3CC2(C(=O)[O-])C3)ccc1[N+](=O)[O-] ZINC000910467374 638064474 /nfs/dbraw/zinc/06/44/74/638064474.db2.gz VMIKTAHZIKJOGW-UHFFFAOYSA-N -1 0 292.291 2.047 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC=C(Cl)C1 ZINC000911830180 638427026 /nfs/dbraw/zinc/42/70/26/638427026.db2.gz IWFOTQHDCDXOIU-UHFFFAOYSA-N -1 0 282.683 2.269 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CCSCC1 ZINC000837518702 639263725 /nfs/dbraw/zinc/26/37/25/639263725.db2.gz CPRMATMQNKKPSE-UHFFFAOYSA-N -1 0 297.332 2.487 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000044618854 639348319 /nfs/dbraw/zinc/34/83/19/639348319.db2.gz IMJNYSKWZWKWOJ-NSHDSACASA-N -1 0 289.291 2.442 20 5 CEBDRM CO[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)CC(C)C ZINC000842456414 640065133 /nfs/dbraw/zinc/06/51/33/640065133.db2.gz BYGNRUDEHNLTQB-SECBINFHSA-N -1 0 270.285 2.141 20 5 CEBDRM CCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844208642 640631960 /nfs/dbraw/zinc/63/19/60/640631960.db2.gz NORKLGVAEAFVTN-UHFFFAOYSA-N -1 0 252.270 2.068 20 5 CEBDRM C[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844206464 640632259 /nfs/dbraw/zinc/63/22/59/640632259.db2.gz CFEAJZQAMJNGCC-JTQLQIEISA-N -1 0 278.308 2.458 20 5 CEBDRM C[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207458 640632359 /nfs/dbraw/zinc/63/23/59/640632359.db2.gz JCZQFEAFKQMGTK-VIFPVBQESA-N -1 0 264.281 2.068 20 5 CEBDRM CO[C@H](C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211216 640632583 /nfs/dbraw/zinc/63/25/83/640632583.db2.gz UXJVQYGUOBUNSR-XTULLQBASA-N -1 0 280.280 2.139 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C1CC1 ZINC000846295251 641263859 /nfs/dbraw/zinc/26/38/59/641263859.db2.gz VAMGQFHZOHZPLU-QWHCGFSZSA-N -1 0 276.292 2.142 20 5 CEBDRM O=C(NOCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769475799 646274584 /nfs/dbraw/zinc/27/45/84/646274584.db2.gz QRIORIMRKCXWBR-UHFFFAOYSA-N -1 0 288.259 2.162 20 5 CEBDRM O=C(Nc1ccc(O)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000773349433 646728389 /nfs/dbraw/zinc/72/83/89/646728389.db2.gz MKJIQUVUGVDVJY-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM O=C([O-])C1=CC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000863479932 646738683 /nfs/dbraw/zinc/73/86/83/646738683.db2.gz DVDIPCFRMDSKEG-SECBINFHSA-N -1 0 289.291 2.148 20 5 CEBDRM CCc1cc(CCCOC(=O)c2ccc([N+](=O)[O-])[n-]2)on1 ZINC000793453142 648761421 /nfs/dbraw/zinc/76/14/21/648761421.db2.gz LGDQHUIHOSEWRM-UHFFFAOYSA-N -1 0 293.279 2.263 20 5 CEBDRM C[C@H]1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000132961413 652578527 /nfs/dbraw/zinc/57/85/27/652578527.db2.gz QNRMRMDLTSWJQQ-IONNQARKSA-N -1 0 265.269 2.289 20 5 CEBDRM CCn1ncnc1CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC001118294240 815001472 /nfs/dbraw/zinc/00/14/72/815001472.db2.gz RHSPAMZEMRGENV-UHFFFAOYSA-N -1 0 294.336 2.345 20 5 CEBDRM Cc1cc(N2CC[C@@H](CF)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000711489112 810077960 /nfs/dbraw/zinc/07/79/60/810077960.db2.gz IKBQUUMEYDIKFV-VIFPVBQESA-N -1 0 282.271 2.397 20 5 CEBDRM C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C1CCC1 ZINC001231069627 810585493 /nfs/dbraw/zinc/58/54/93/810585493.db2.gz BKGPIXIGEBZMIT-YFKPBYRVSA-N -1 0 273.676 2.311 20 5 CEBDRM Cc1ccc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693513096 814623266 /nfs/dbraw/zinc/62/32/66/814623266.db2.gz BTGBYLNLPWDTML-QWRGUYRKSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2ccccn2)CC1 ZINC001138013458 815716840 /nfs/dbraw/zinc/71/68/40/815716840.db2.gz OHRMKPGAUFGPSS-UHFFFAOYSA-N -1 0 299.286 2.366 20 5 CEBDRM O=c1cc(Nc2ccc([N+](=O)[O-])cc2)nc(Cl)[n-]1 ZINC001174477350 816018848 /nfs/dbraw/zinc/01/88/48/816018848.db2.gz ODKDFGNMOKPZDS-UHFFFAOYSA-N -1 0 266.644 2.487 20 5 CEBDRM Cc1cnc(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176673127 816452988 /nfs/dbraw/zinc/45/29/88/816452988.db2.gz SCQQLRZQNUHZRW-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM CCc1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176675118 816453760 /nfs/dbraw/zinc/45/37/60/816453760.db2.gz SSIXDOKVWNYWQG-UHFFFAOYSA-N -1 0 288.263 2.389 20 5 CEBDRM O=C([O-])c1cc(Nc2cscn2)cc([N+](=O)[O-])c1 ZINC001176675442 816454167 /nfs/dbraw/zinc/45/41/67/816454167.db2.gz XQRBPWVAMXDYTC-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM Cc1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(N)c1 ZINC001176674257 816454260 /nfs/dbraw/zinc/45/42/60/816454260.db2.gz HWBJYKFHHLXDIO-UHFFFAOYSA-N -1 0 288.263 2.322 20 5 CEBDRM O=C([O-])c1cnc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000082572531 178110755 /nfs/dbraw/zinc/11/07/55/178110755.db2.gz DECLHXAMXIKFAG-UHFFFAOYSA-N -1 0 265.269 2.068 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1C ZINC000037589505 361906976 /nfs/dbraw/zinc/90/69/76/361906976.db2.gz SGFCGYLEJHEJDU-VIFPVBQESA-N -1 0 294.307 2.229 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000044619444 343475517 /nfs/dbraw/zinc/47/55/17/343475517.db2.gz GDIXXBRFCVSJLC-MRVPVSSYSA-N -1 0 256.233 2.033 20 5 CEBDRM C[C@@H]1C[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567981358 299104669 /nfs/dbraw/zinc/10/46/69/299104669.db2.gz HHPFTRPDKARZQY-PSASIEDQSA-N -1 0 264.281 2.290 20 5 CEBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406771 344187623 /nfs/dbraw/zinc/18/76/23/344187623.db2.gz VOQFZCRHUFUVNB-CYBMUJFWSA-N -1 0 280.324 2.301 20 5 CEBDRM C[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC[C@@H]1C ZINC000130117172 344349911 /nfs/dbraw/zinc/34/99/11/344349911.db2.gz HEZKMPVCBWTVBS-IUCAKERBSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCSC2)c1 ZINC000228579001 344561590 /nfs/dbraw/zinc/56/15/90/344561590.db2.gz PFHPUMDXPOANMM-QMMMGPOBSA-N -1 0 282.321 2.458 20 5 CEBDRM CCC1(C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000360904764 282346939 /nfs/dbraw/zinc/34/69/39/282346939.db2.gz XEBUCNAQUTUEFF-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CN(Cc1nccs1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155762749 530028326 /nfs/dbraw/zinc/02/83/26/530028326.db2.gz SLCYJVNJYTUTCJ-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM CC1(C2(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)CC1 ZINC000590884416 345194288 /nfs/dbraw/zinc/19/42/88/345194288.db2.gz QCODRPRLRSJAIV-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000097065570 185520469 /nfs/dbraw/zinc/52/04/69/185520469.db2.gz IZROVTUCLZWKPT-BDAKNGLRSA-N -1 0 250.254 2.260 20 5 CEBDRM Cc1cc(N[C@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968601 345417108 /nfs/dbraw/zinc/41/71/08/345417108.db2.gz SQSMOAVVFMDDEX-NWDGAFQWSA-N -1 0 294.307 2.317 20 5 CEBDRM C[C@H]1CC2(CCC2)CN1c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979034 345417782 /nfs/dbraw/zinc/41/77/82/345417782.db2.gz CGRYPSYKIAJUFO-VIFPVBQESA-N -1 0 291.307 2.457 20 5 CEBDRM CN(CC1CCOCC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211516921 539476223 /nfs/dbraw/zinc/47/62/23/539476223.db2.gz JKHDERKWIFXZJH-UHFFFAOYSA-N -1 0 294.307 2.156 20 5 CEBDRM CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc([N+](=O)[O-])nc2)n1 ZINC000594874260 345693027 /nfs/dbraw/zinc/69/30/27/345693027.db2.gz AUFKNZFENXARFM-UHFFFAOYSA-N -1 0 290.279 2.307 20 5 CEBDRM CC(C)(C)n1cc(-c2ccc([N+](=O)[O-])nc2)c(C(=O)[O-])n1 ZINC000594874305 345693220 /nfs/dbraw/zinc/69/32/20/345693220.db2.gz DWHXBMHZPKKLDE-UHFFFAOYSA-N -1 0 290.279 2.307 20 5 CEBDRM O=C([O-])[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C1CCC1 ZINC000595977617 345920045 /nfs/dbraw/zinc/92/00/45/345920045.db2.gz LZKWXNJHQKGILO-VIFPVBQESA-N -1 0 283.259 2.042 20 5 CEBDRM O=C([O-])[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595993895 345921669 /nfs/dbraw/zinc/92/16/69/345921669.db2.gz IJNLXRXTEZZWIB-GFCCVEGCSA-N -1 0 292.291 2.424 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000597159520 346138781 /nfs/dbraw/zinc/13/87/81/346138781.db2.gz MWZGKUDNBGQPPE-IUCAKERBSA-N -1 0 292.291 2.164 20 5 CEBDRM Cc1noc(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180763841 232398970 /nfs/dbraw/zinc/39/89/70/232398970.db2.gz BZNJLRINNCNKEL-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598185082 346301809 /nfs/dbraw/zinc/30/18/09/346301809.db2.gz MTYYMYKLTULJSB-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000061827410 362690432 /nfs/dbraw/zinc/69/04/32/362690432.db2.gz FGXWUCONWWYATH-UHFFFAOYSA-N -1 0 294.307 2.102 20 5 CEBDRM Cc1c(NC(=O)C[C@@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000061834895 362691431 /nfs/dbraw/zinc/69/14/31/362691431.db2.gz ANSWSXVSMCQCOU-MRVPVSSYSA-N -1 0 280.280 2.343 20 5 CEBDRM CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000598379945 346342353 /nfs/dbraw/zinc/34/23/53/346342353.db2.gz CXEBVYVGRVFCGA-ZDUSSCGKSA-N -1 0 278.308 2.465 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598549806 346373467 /nfs/dbraw/zinc/37/34/67/346373467.db2.gz DQVUYVSERLIJEX-SECBINFHSA-N -1 0 278.308 2.419 20 5 CEBDRM CCO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000599713507 346573354 /nfs/dbraw/zinc/57/33/54/346573354.db2.gz JCDDHIQJDTXZSD-GFCCVEGCSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000600678580 346672138 /nfs/dbraw/zinc/67/21/38/346672138.db2.gz LMUJIZIVWACOOZ-MFKMUULPSA-N -1 0 292.291 2.272 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000600678557 346672201 /nfs/dbraw/zinc/67/22/01/346672201.db2.gz KPWLQXUZMDYFJP-MFKMUULPSA-N -1 0 292.291 2.272 20 5 CEBDRM Cc1occc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604310890 347408725 /nfs/dbraw/zinc/40/87/25/347408725.db2.gz ABSGDZNPUSOJOR-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CN(Cc1ccccc1[N+](=O)[O-])c1ncccc1C(=O)[O-] ZINC000603579573 347380579 /nfs/dbraw/zinc/38/05/79/347380579.db2.gz FMMHMMGFXRVWIG-UHFFFAOYSA-N -1 0 287.275 2.324 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610862526 347719091 /nfs/dbraw/zinc/71/90/91/347719091.db2.gz MXAQSIOGJNYULW-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2ccc([N+](=O)[O-])cc2F)ncn1 ZINC000611491961 347785064 /nfs/dbraw/zinc/78/50/64/347785064.db2.gz KHDRCLAPWYUASR-HNQUOIGGSA-N -1 0 289.222 2.393 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(C1)CC(F)(F)C2 ZINC000611535702 347792288 /nfs/dbraw/zinc/79/22/88/347792288.db2.gz REMNEFNLQAQLCO-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000368227282 304003585 /nfs/dbraw/zinc/00/35/85/304003585.db2.gz PQCQCFBHIOUTEF-ZDSQKVDBSA-N -1 0 292.291 2.054 20 5 CEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnoc2)c1[N+](=O)[O-] ZINC000616242932 348466845 /nfs/dbraw/zinc/46/68/45/348466845.db2.gz JHHRTSCYDKLTCR-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CN(C[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000111239251 186374599 /nfs/dbraw/zinc/37/45/99/186374599.db2.gz KYPLCSMXZQCCBJ-JTQLQIEISA-N -1 0 294.307 2.156 20 5 CEBDRM O=C([O-])CCCn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000569122128 299183350 /nfs/dbraw/zinc/18/33/50/299183350.db2.gz KOLZOAOKQBBPSU-UHFFFAOYSA-N -1 0 283.671 2.463 20 5 CEBDRM COCCN(CC(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272570778 191793677 /nfs/dbraw/zinc/79/36/77/191793677.db2.gz MXAKWVBYMWLAHX-UHFFFAOYSA-N -1 0 296.323 2.045 20 5 CEBDRM CC[C@@H](OC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273591191 192219801 /nfs/dbraw/zinc/21/98/01/192219801.db2.gz LNZUPTLETKHBHZ-SECBINFHSA-N -1 0 288.687 2.317 20 5 CEBDRM C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237592673 299245885 /nfs/dbraw/zinc/24/58/85/299245885.db2.gz UUAPQBPGPIWIAC-QMMMGPOBSA-N -1 0 294.307 2.095 20 5 CEBDRM O=C(NCc1ccsc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075942070 363499392 /nfs/dbraw/zinc/49/93/92/363499392.db2.gz SMLXIHXUEXQOGS-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000452819313 283392542 /nfs/dbraw/zinc/39/25/42/283392542.db2.gz TZRSDCCNKOYDHB-ZANVPECISA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2cccnc2)c1 ZINC000152855123 366718435 /nfs/dbraw/zinc/71/84/35/366718435.db2.gz GGLLRBAEQLOGJX-UHFFFAOYSA-N -1 0 287.275 2.343 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236986850 370672469 /nfs/dbraw/zinc/67/24/69/370672469.db2.gz UNUMJUISQNYWBZ-IUCAKERBSA-N -1 0 294.307 2.457 20 5 CEBDRM Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000010172888 361346694 /nfs/dbraw/zinc/34/66/94/361346694.db2.gz WPPPKUHRWLBJIT-UHFFFAOYSA-N -1 0 273.248 2.135 20 5 CEBDRM O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000016483128 361489559 /nfs/dbraw/zinc/48/95/59/361489559.db2.gz IJGWMLOARDYOAJ-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CCOCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019845250 361561331 /nfs/dbraw/zinc/56/13/31/361561331.db2.gz SCRNKFOJYDXSNM-UHFFFAOYSA-N -1 0 268.269 2.132 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000019400717 361530580 /nfs/dbraw/zinc/53/05/80/361530580.db2.gz LSHQEGQNDFTFKX-PELKAZGASA-N -1 0 294.307 2.132 20 5 CEBDRM O=C([O-])[C@@H]1CCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086729312 363839095 /nfs/dbraw/zinc/83/90/95/363839095.db2.gz OEIKFUWFFWVKOL-VIFPVBQESA-N -1 0 270.310 2.095 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]1C1CC1 ZINC000092546615 364081053 /nfs/dbraw/zinc/08/10/53/364081053.db2.gz OAOXXOUKPBRZCP-NXEZZACHSA-N -1 0 262.265 2.285 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356593103 370766364 /nfs/dbraw/zinc/76/63/64/370766364.db2.gz KXKAOGAOEBDWBC-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM CCO[C@H]1C[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000583265348 367023920 /nfs/dbraw/zinc/02/39/20/367023920.db2.gz JJQVQJJIPIAUSY-AOOOYVTPSA-N -1 0 280.280 2.272 20 5 CEBDRM CCC1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162376085 367155995 /nfs/dbraw/zinc/15/59/95/367155995.db2.gz ZDTOXYOBJKXDES-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM CC(C)n1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000164494157 367289174 /nfs/dbraw/zinc/28/91/74/367289174.db2.gz ZAAORALTRJCOCR-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1C ZINC000164695603 367294074 /nfs/dbraw/zinc/29/40/74/367294074.db2.gz PMSOXNRCMNLMGM-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(CCc1cncs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343875960 368052848 /nfs/dbraw/zinc/05/28/48/368052848.db2.gz LWELIQTWCUDLTQ-UHFFFAOYSA-N -1 0 293.304 2.328 20 5 CEBDRM CC(=O)c1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000346333855 368640215 /nfs/dbraw/zinc/64/02/15/368640215.db2.gz VVUZNEUCNVZJCE-UHFFFAOYSA-N -1 0 289.247 2.083 20 5 CEBDRM CC(C)=CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000276608244 193399155 /nfs/dbraw/zinc/39/91/55/193399155.db2.gz HZUKEACIQORENL-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM Cc1ncc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000354327648 370316069 /nfs/dbraw/zinc/31/60/69/370316069.db2.gz JELFWLSAENAASQ-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)o1 ZINC000354520297 370397546 /nfs/dbraw/zinc/39/75/46/370397546.db2.gz HQWOUNGQOUGAIM-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232835748 370513331 /nfs/dbraw/zinc/51/33/31/370513331.db2.gz NEBMOOGKLIRCHD-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000233859124 370526658 /nfs/dbraw/zinc/52/66/58/370526658.db2.gz MDJMJWWQWADOBC-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000332017565 204391869 /nfs/dbraw/zinc/39/18/69/204391869.db2.gz VCPFKUYVHAPQBN-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)CCC(=O)[O-] ZINC000261816126 371742365 /nfs/dbraw/zinc/74/23/65/371742365.db2.gz SSWNROCGYSHZKR-UHFFFAOYSA-N -1 0 284.316 2.175 20 5 CEBDRM CCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269133732 372352157 /nfs/dbraw/zinc/35/21/57/372352157.db2.gz MEKKGACKAXVARS-UHFFFAOYSA-N -1 0 252.270 2.220 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000270693839 372904779 /nfs/dbraw/zinc/90/47/79/372904779.db2.gz AEBRXDIFPFFJQZ-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000274856159 374072452 /nfs/dbraw/zinc/07/24/52/374072452.db2.gz BUCUKFFFQWQQKH-IUCAKERBSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000281115004 375355573 /nfs/dbraw/zinc/35/55/73/375355573.db2.gz XCLPJEFOMMIKKG-UWVGGRQHSA-N -1 0 276.292 2.173 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000408417067 375477604 /nfs/dbraw/zinc/47/76/04/375477604.db2.gz XEGFNTWSGNZCMK-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000416325500 376041911 /nfs/dbraw/zinc/04/19/11/376041911.db2.gz YOXUPGLAYURNNO-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM COC(=O)c1cc(C)[n-]c(=NOCC(C)C)c1[N+](=O)[O-] ZINC000286520141 375982193 /nfs/dbraw/zinc/98/21/93/375982193.db2.gz OEPIEWXJUIMAJV-UHFFFAOYSA-N -1 0 283.284 2.084 20 5 CEBDRM CC(C)n1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000557048183 376532855 /nfs/dbraw/zinc/53/28/55/376532855.db2.gz MMRPFCGNJTXDTF-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CO[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458985 377144613 /nfs/dbraw/zinc/14/46/13/377144613.db2.gz SMFYAQQJFFBKKA-YGRLFVJLSA-N -1 0 280.324 2.157 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184629980 249333599 /nfs/dbraw/zinc/33/35/99/249333599.db2.gz LWVPYBZJDHSSHS-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000295558874 378211833 /nfs/dbraw/zinc/21/18/33/378211833.db2.gz LEHGSCZWZSWKLG-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM CCC(=O)c1ccc(NC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000517571836 379368715 /nfs/dbraw/zinc/36/87/15/379368715.db2.gz FUPZHMIFXFFEBX-QMMMGPOBSA-N -1 0 280.280 2.320 20 5 CEBDRM O=C(NCC(C1CC1)C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544505686 380356230 /nfs/dbraw/zinc/35/62/30/380356230.db2.gz UBBFVUGQMITMNQ-UHFFFAOYSA-N -1 0 290.319 2.466 20 5 CEBDRM CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574991766 299546633 /nfs/dbraw/zinc/54/66/33/299546633.db2.gz IICSLYXEBJQEOE-UFBFGSQYSA-N -1 0 282.296 2.112 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575751710 299568149 /nfs/dbraw/zinc/56/81/49/299568149.db2.gz JFKFJTRJRKMAJM-VHSXEESVSA-N -1 0 282.271 2.311 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC000355913090 533296862 /nfs/dbraw/zinc/29/68/62/533296862.db2.gz MNHXQKWBMQXLJC-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000413982871 394670559 /nfs/dbraw/zinc/67/05/59/394670559.db2.gz CFTSXJHRVAOJCH-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM CSCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000281843947 394860980 /nfs/dbraw/zinc/86/09/80/394860980.db2.gz YTNYBJNJJWGFSK-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436498995 395121619 /nfs/dbraw/zinc/12/16/19/395121619.db2.gz YERHDHPWSIDWPK-LDYMZIIASA-N -1 0 264.281 2.219 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000338926032 296508092 /nfs/dbraw/zinc/50/80/92/296508092.db2.gz ODMZMQWZONRLEM-KBPBESRZSA-N -1 0 278.308 2.054 20 5 CEBDRM CO[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000572964329 395596084 /nfs/dbraw/zinc/59/60/84/395596084.db2.gz GYGIUZSMXBTYHI-NOZJJQNGSA-N -1 0 294.307 2.154 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000458276845 395641281 /nfs/dbraw/zinc/64/12/81/395641281.db2.gz GXNQACZKJSIEKP-QRTLGDNMSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000182174188 296538810 /nfs/dbraw/zinc/53/88/10/296538810.db2.gz QRVQFBGACSIQPT-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC(=O)[O-] ZINC000263023234 154005974 /nfs/dbraw/zinc/00/59/74/154005974.db2.gz JMFOHZBKFRAEAB-UHFFFAOYSA-N -1 0 295.295 2.198 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C(=O)[O-])C1 ZINC000263398320 154075080 /nfs/dbraw/zinc/07/50/80/154075080.db2.gz IEFMOLZUFZKWAW-JTQLQIEISA-N -1 0 292.291 2.098 20 5 CEBDRM C[C@@H](CN(C)c1nc2ccccc2cc1[N+](=O)[O-])C(=O)[O-] ZINC000263550667 154124396 /nfs/dbraw/zinc/12/43/96/154124396.db2.gz KPAVPEUZJQVBGJ-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000368645562 156380540 /nfs/dbraw/zinc/38/05/40/156380540.db2.gz GPTBTNNTVRIJAQ-GMOODISLSA-N -1 0 292.291 2.054 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cccnc1 ZINC000170967301 162376858 /nfs/dbraw/zinc/37/68/58/162376858.db2.gz LHVLYVDNRVLZID-ONEGZZNKSA-N -1 0 271.232 2.253 20 5 CEBDRM Cc1cc(NC[C@H]2CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563959528 298812123 /nfs/dbraw/zinc/81/21/23/298812123.db2.gz ICSFKDJFXPPWOL-SECBINFHSA-N -1 0 280.280 2.192 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000564463593 298830880 /nfs/dbraw/zinc/83/08/80/298830880.db2.gz XQKRCFVIOXFVDV-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000045904983 175386395 /nfs/dbraw/zinc/38/63/95/175386395.db2.gz CBASNZKBCFHSRU-UHFFFAOYSA-N -1 0 282.281 2.244 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)[C@H]2C)n1 ZINC000521629454 260197166 /nfs/dbraw/zinc/19/71/66/260197166.db2.gz NVZPMMMAFWBVTE-UJNFCWOMSA-N -1 0 293.323 2.477 20 5 CEBDRM O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000188096577 261845940 /nfs/dbraw/zinc/84/59/40/261845940.db2.gz XUSHKSSMKDRGJB-UHFFFAOYSA-N -1 0 286.700 2.364 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225801482 270309502 /nfs/dbraw/zinc/30/95/02/270309502.db2.gz FTDWCSVFEZDKKC-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM CC1=CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000229824809 270313224 /nfs/dbraw/zinc/31/32/24/270313224.db2.gz UIFGMGRNRILSFQ-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436561691 271673343 /nfs/dbraw/zinc/67/33/43/271673343.db2.gz IQOMQKQWSJDCFV-GXSJLCMTSA-N -1 0 278.308 2.466 20 5 CEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000130489216 279936911 /nfs/dbraw/zinc/93/69/11/279936911.db2.gz OTFDXHYEXAOCJN-UHFFFAOYSA-N -1 0 279.277 2.034 20 5 CEBDRM CC[C@H](O)CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000398557233 280693905 /nfs/dbraw/zinc/69/39/05/280693905.db2.gz KNWLPUJKWIILMS-JTQLQIEISA-N -1 0 282.296 2.256 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000311608987 281138009 /nfs/dbraw/zinc/13/80/09/281138009.db2.gz ITWCYOFGRNKZHV-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C)S1 ZINC000155052743 289162802 /nfs/dbraw/zinc/16/28/02/289162802.db2.gz KXYDTOMNAVMHSA-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C)S1 ZINC000155052628 289163350 /nfs/dbraw/zinc/16/33/50/289163350.db2.gz KXYDTOMNAVMHSA-DTORHVGOSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(CF)CC1 ZINC000456080415 289541231 /nfs/dbraw/zinc/54/12/31/289541231.db2.gz FDGCXTPCOAWKGL-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM CC[C@@H](C)CN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162355223 297451918 /nfs/dbraw/zinc/45/19/18/297451918.db2.gz NDRUEALRYYYSLA-MRVPVSSYSA-N -1 0 267.285 2.170 20 5 CEBDRM O=C([O-])c1cnc(NC[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000326932483 297498699 /nfs/dbraw/zinc/49/86/99/297498699.db2.gz VGUATMRQTYVTCJ-MRVPVSSYSA-N -1 0 297.336 2.243 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000566345212 298970477 /nfs/dbraw/zinc/97/04/77/298970477.db2.gz NTBFEAUOGZVIMO-UHFFFAOYSA-N -1 0 294.307 2.457 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H](C(=O)[O-])C(C)C)c1 ZINC000094659044 301856244 /nfs/dbraw/zinc/85/62/44/301856244.db2.gz LPJIGOQUSAFIOG-NSHDSACASA-N -1 0 252.270 2.424 20 5 CEBDRM CC(=O)c1ccc(SCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000551714378 313595400 /nfs/dbraw/zinc/59/54/00/313595400.db2.gz IHXWJXKZTOJFLK-UHFFFAOYSA-N -1 0 269.278 2.364 20 5 CEBDRM CC(C)(C(=O)[O-])C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000569579619 314002017 /nfs/dbraw/zinc/00/20/17/314002017.db2.gz PREBHSTXMHDXQZ-UHFFFAOYSA-N -1 0 293.323 2.317 20 5 CEBDRM C[C@@H]1CC(C)(C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570048072 314026317 /nfs/dbraw/zinc/02/63/17/314026317.db2.gz GKXNWJGWMVEJBF-MRVPVSSYSA-N -1 0 279.296 2.313 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000577377240 314369332 /nfs/dbraw/zinc/36/93/32/314369332.db2.gz GCAPOVCWQRZUFM-SECBINFHSA-N -1 0 282.321 2.139 20 5 CEBDRM CO[C@H]1C[C@@H](N(C)c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000577756865 314411312 /nfs/dbraw/zinc/41/13/12/314411312.db2.gz ASDQMGHQRHRAAN-PHIMTYICSA-N -1 0 294.307 2.215 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006224699 321693489 /nfs/dbraw/zinc/69/34/89/321693489.db2.gz UYESJBWVSXLQHH-GZMMTYOYSA-N -1 0 295.295 2.216 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2=CCCOC2)c1 ZINC000379583414 321826224 /nfs/dbraw/zinc/82/62/24/321826224.db2.gz RVSMUTPAPOIXFA-UHFFFAOYSA-N -1 0 278.264 2.052 20 5 CEBDRM CC1(C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCS1 ZINC000380478497 321830624 /nfs/dbraw/zinc/83/06/24/321830624.db2.gz KLIWZJHTVTWJRO-UHFFFAOYSA-N -1 0 297.336 2.020 20 5 CEBDRM CO[C@@H](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000583443588 322547251 /nfs/dbraw/zinc/54/72/51/322547251.db2.gz VIOKFMMOAJLQDP-VIFPVBQESA-N -1 0 282.296 2.438 20 5 CEBDRM CS[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000394866184 329158460 /nfs/dbraw/zinc/15/84/60/329158460.db2.gz CXOMEDXPGYDEHI-SECBINFHSA-N -1 0 282.321 2.235 20 5 CEBDRM C[C@H](CN(C)c1ccc([N+](=O)[O-])c2cnccc21)C(=O)[O-] ZINC000042704038 534032382 /nfs/dbraw/zinc/03/23/82/534032382.db2.gz XBLOXKCZTMINNH-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM CC(C)N(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000184748186 519578320 /nfs/dbraw/zinc/57/83/20/519578320.db2.gz GGFVEURTUQTKBH-UHFFFAOYSA-N -1 0 264.281 2.313 20 5 CEBDRM CC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274686425 519708559 /nfs/dbraw/zinc/70/85/59/519708559.db2.gz KFHJUNOQBSPBLX-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157724261 523913645 /nfs/dbraw/zinc/91/36/45/523913645.db2.gz DPEKPICQRRDSPL-QMMMGPOBSA-N -1 0 252.270 2.171 20 5 CEBDRM CC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178125606 527688541 /nfs/dbraw/zinc/68/85/41/527688541.db2.gz FSWJVENSCKISET-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000172410169 528397008 /nfs/dbraw/zinc/39/70/08/528397008.db2.gz LOPPOJWKVFQTBU-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000739928402 574432541 /nfs/dbraw/zinc/43/25/41/574432541.db2.gz XCSYNBJOCOXYNZ-ZETCQYMHSA-N -1 0 271.298 2.211 20 5 CEBDRM CC(=O)OCCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000736174608 574777361 /nfs/dbraw/zinc/77/73/61/574777361.db2.gz XVAXSGLOFKKZHW-UHFFFAOYSA-N -1 0 297.263 2.015 20 5 CEBDRM CCO[C@@H](CC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737157920 574813301 /nfs/dbraw/zinc/81/33/01/574813301.db2.gz PHUGUBSUQBBCRH-NSHDSACASA-N -1 0 296.279 2.047 20 5 CEBDRM Cc1cccc(C(=O)OCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000738307986 574857656 /nfs/dbraw/zinc/85/76/56/574857656.db2.gz MXTBJGINQYWRAF-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM C[C@H](SCCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000739058310 574891417 /nfs/dbraw/zinc/89/14/17/574891417.db2.gz YQFLGJXAAUKFJK-QMMMGPOBSA-N -1 0 271.294 2.180 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739239591 574902231 /nfs/dbraw/zinc/90/22/31/574902231.db2.gz SDBJZEAOJCSZIB-GZMMTYOYSA-N -1 0 295.295 2.216 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000739588848 574927866 /nfs/dbraw/zinc/92/78/66/574927866.db2.gz SJFWKANWDRRMMW-SNVBAGLBSA-N -1 0 297.286 2.313 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000739593908 574928240 /nfs/dbraw/zinc/92/82/40/574928240.db2.gz MZGFJXAYFAGVOP-UHFFFAOYSA-N -1 0 285.325 2.235 20 5 CEBDRM CN(CCNc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000739700310 574931654 /nfs/dbraw/zinc/93/16/54/574931654.db2.gz CRGSXPXHSKNVIX-UHFFFAOYSA-N -1 0 273.676 2.270 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000739927233 574936748 /nfs/dbraw/zinc/93/67/48/574936748.db2.gz FEUNMINGHHFEEC-VIFPVBQESA-N -1 0 265.269 2.149 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740175865 574946721 /nfs/dbraw/zinc/94/67/21/574946721.db2.gz TZOASMXSJQDGHM-LLVKDONJSA-N -1 0 293.323 2.339 20 5 CEBDRM O=C([O-])N1CCC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000740516413 574957421 /nfs/dbraw/zinc/95/74/21/574957421.db2.gz XRZPKDDBPBXBEC-MRVPVSSYSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C(OC[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000749198273 575208566 /nfs/dbraw/zinc/20/85/66/575208566.db2.gz HTXMKVUXRHHBHE-YFKPBYRVSA-N -1 0 279.079 2.274 20 5 CEBDRM CCOc1cc(NCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044620 597494831 /nfs/dbraw/zinc/49/48/31/597494831.db2.gz SYEZMPSDACYHSM-UHFFFAOYSA-N -1 0 268.269 2.270 20 5 CEBDRM C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000054334626 599783759 /nfs/dbraw/zinc/78/37/59/599783759.db2.gz URIBODOFVSOGNT-MRVPVSSYSA-N -1 0 275.264 2.276 20 5 CEBDRM O=C([O-])CC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000236421875 600205315 /nfs/dbraw/zinc/20/53/15/600205315.db2.gz VEYBUFQMCBGRKK-UHFFFAOYSA-N -1 0 299.714 2.334 20 5 CEBDRM C/C(=C/Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000825793346 600728444 /nfs/dbraw/zinc/72/84/44/600728444.db2.gz RGYHSBJEEKUVFP-POHAHGRESA-N -1 0 287.275 2.489 20 5 CEBDRM CSCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000235050099 600803561 /nfs/dbraw/zinc/80/35/61/600803561.db2.gz QWCGREDEXFXELD-UHFFFAOYSA-N -1 0 271.294 2.425 20 5 CEBDRM C/C(=C\COc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088629651 601097940 /nfs/dbraw/zinc/09/79/40/601097940.db2.gz DKFVMRHCESYDFU-WEVVVXLNSA-N -1 0 251.238 2.313 20 5 CEBDRM C/C(=C/COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000825758952 601407228 /nfs/dbraw/zinc/40/72/28/601407228.db2.gz STLSWILGWUWIFQ-NIQHGUSQSA-N -1 0 291.259 2.182 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000832958267 601560383 /nfs/dbraw/zinc/56/03/83/601560383.db2.gz RFWHBRFZFXLYCF-SNVBAGLBSA-N -1 0 279.296 2.458 20 5 CEBDRM CCCCC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000829333196 601646627 /nfs/dbraw/zinc/64/66/27/601646627.db2.gz JWBFOWXDMCXRDJ-LLVKDONJSA-N -1 0 294.307 2.358 20 5 CEBDRM O=C([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)o1 ZINC000833312001 601794411 /nfs/dbraw/zinc/79/44/11/601794411.db2.gz GYPAHFNAFOQZDA-RQOWECAXSA-N -1 0 260.205 2.451 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739035670 601919019 /nfs/dbraw/zinc/91/90/19/601919019.db2.gz IDKNWIWGIHFFBM-ZJUUUORDSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739035201 603018762 /nfs/dbraw/zinc/01/87/62/603018762.db2.gz GFCYULDQJYZMKC-ZJUUUORDSA-N -1 0 294.311 2.180 20 5 CEBDRM COc1cc(NC[C@@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000829196699 603191564 /nfs/dbraw/zinc/19/15/64/603191564.db2.gz AYXWQBHMNMDOHT-SNVBAGLBSA-N -1 0 297.311 2.308 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)[O-])CC1 ZINC000830138716 603443156 /nfs/dbraw/zinc/44/31/56/603443156.db2.gz YNJYMNLNSOSJRU-UHFFFAOYSA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1ccc(N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000830342475 603445433 /nfs/dbraw/zinc/44/54/33/603445433.db2.gz ZBPOSMGDEGMKGF-GHMZBOCLSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](NC(=O)[O-])C2)c1 ZINC000830426841 603549965 /nfs/dbraw/zinc/54/99/65/603549965.db2.gz BSCBKBXWMPFUSR-SNVBAGLBSA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1ccc(NC(=O)C(C)(C)CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830354008 603614064 /nfs/dbraw/zinc/61/40/64/603614064.db2.gz VXRJZYXOODGAKD-UHFFFAOYSA-N -1 0 295.295 2.136 20 5 CEBDRM Cc1ccc(N2CCC[C@@H](NC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830347191 604216741 /nfs/dbraw/zinc/21/67/41/604216741.db2.gz PXMMJAISIBOBHR-SNVBAGLBSA-N -1 0 279.296 2.140 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000042162178 604469573 /nfs/dbraw/zinc/46/95/73/604469573.db2.gz HICRVHPNXQAOEF-QMMMGPOBSA-N -1 0 268.244 2.177 20 5 CEBDRM C/C(=C\COc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000310570466 604528169 /nfs/dbraw/zinc/52/81/69/604528169.db2.gz XJYOEJYLAYFQDO-VMPITWQZSA-N -1 0 251.238 2.313 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC2CCN(C(=O)[O-])CC2)n1 ZINC000830428053 604882881 /nfs/dbraw/zinc/88/28/81/604882881.db2.gz QVEIKDJPVMTSHK-UHFFFAOYSA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])N1CCC(CSc2cccnc2[N+](=O)[O-])CC1 ZINC000834083648 605347255 /nfs/dbraw/zinc/34/72/55/605347255.db2.gz YLVTXJZSGUWZBV-UHFFFAOYSA-N -1 0 297.336 2.472 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000833814952 605494561 /nfs/dbraw/zinc/49/45/61/605494561.db2.gz DTYKXDQNWQAPRI-UWVGGRQHSA-N -1 0 279.296 2.077 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H](C)NC(=O)[O-] ZINC000833907920 605541209 /nfs/dbraw/zinc/54/12/09/605541209.db2.gz XCHFSJFHPWNAIN-BDAKNGLRSA-N -1 0 296.279 2.164 20 5 CEBDRM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000214198687 622549593 /nfs/dbraw/zinc/54/95/93/622549593.db2.gz SCKNJDFHRITCGN-ZCFIWIBFSA-N -1 0 262.187 2.334 20 5 CEBDRM Cc1cccc(N2CCC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000235924539 625792245 /nfs/dbraw/zinc/79/22/45/625792245.db2.gz JPWHTCHOULSQRD-SNVBAGLBSA-N -1 0 264.281 2.204 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000236434686 625936576 /nfs/dbraw/zinc/93/65/76/625936576.db2.gz ILRRGULLPNYGJF-ZCFIWIBFSA-N -1 0 288.662 2.298 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000123430007 628382144 /nfs/dbraw/zinc/38/21/44/628382144.db2.gz KPEMJZOUWLOQRG-AWEZNQCLSA-N -1 0 293.323 2.379 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N(C)CC(=O)[O-] ZINC000841491341 634657078 /nfs/dbraw/zinc/65/70/78/634657078.db2.gz VAYICBSEKJNXJC-UHFFFAOYSA-N -1 0 258.661 2.077 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000804587150 631709654 /nfs/dbraw/zinc/70/96/54/631709654.db2.gz XAPPUAXJNLECKO-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM C/C(=C\CNc1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000906149623 636625710 /nfs/dbraw/zinc/62/57/10/636625710.db2.gz VUTOGVKRPIPQJI-RMKNXTFCSA-N -1 0 250.254 2.346 20 5 CEBDRM COc1cc(NCCCN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833887222 637749323 /nfs/dbraw/zinc/74/93/23/637749323.db2.gz CLMYCVFZTOTYDG-UHFFFAOYSA-N -1 0 283.284 2.015 20 5 CEBDRM C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000910488992 638074085 /nfs/dbraw/zinc/07/40/85/638074085.db2.gz AAOXSAORRKNYSH-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000229045892 639673771 /nfs/dbraw/zinc/67/37/71/639673771.db2.gz WVGBAFAQJMJRRX-WQAKAFBOSA-N -1 0 276.292 2.284 20 5 CEBDRM CO[C@H](CC(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000842113980 639959723 /nfs/dbraw/zinc/95/97/23/639959723.db2.gz KJZFHASDWDKVKF-CYBMUJFWSA-N -1 0 297.307 2.405 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CC=CC2)n1 ZINC000844211018 640632586 /nfs/dbraw/zinc/63/25/86/640632586.db2.gz QRHCMAWTLVIQTA-UHFFFAOYSA-N -1 0 263.253 2.127 20 5 CEBDRM CC[C@](C)(O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209335 640632677 /nfs/dbraw/zinc/63/26/77/640632677.db2.gz QXRXGRCNYKPOHU-DYLGSBMWSA-N -1 0 294.307 2.266 20 5 CEBDRM COc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916853270 640826627 /nfs/dbraw/zinc/82/66/27/640826627.db2.gz ZVGAYRXRAHPKMM-UHFFFAOYSA-N -1 0 262.221 2.151 20 5 CEBDRM CO[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000920123847 641118689 /nfs/dbraw/zinc/11/86/89/641118689.db2.gz JFPFSCHBKICQTC-BDAKNGLRSA-N -1 0 268.269 2.037 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC000849348582 642338999 /nfs/dbraw/zinc/33/89/99/642338999.db2.gz QGWOOOINJDQJHF-SNVBAGLBSA-N -1 0 262.265 2.352 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2COC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000849348091 642339745 /nfs/dbraw/zinc/33/97/45/642339745.db2.gz HJIYEDLLPMVMKB-JTQLQIEISA-N -1 0 292.291 2.417 20 5 CEBDRM CC1(C)CCC[C@@](O)(COC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000851355729 642993862 /nfs/dbraw/zinc/99/38/62/642993862.db2.gz ZCWWYAICRPLIQN-AWEZNQCLSA-N -1 0 296.323 2.411 20 5 CEBDRM CCO[N-]C(=O)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853712569 643873906 /nfs/dbraw/zinc/87/39/06/643873906.db2.gz DIMYSMKGTHZKNA-UHFFFAOYSA-N -1 0 289.238 2.012 20 5 CEBDRM O=C(OCC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])[n-]1 ZINC000774362579 646839010 /nfs/dbraw/zinc/83/90/10/646839010.db2.gz LULISPUQISLWIC-UHFFFAOYSA-N -1 0 286.287 2.495 20 5 CEBDRM O=C(Nc1ccc(F)nc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788306694 648172329 /nfs/dbraw/zinc/17/23/29/648172329.db2.gz HWZZAVYAITVDGR-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM Cc1[nH]nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC000790968759 648465529 /nfs/dbraw/zinc/46/55/29/648465529.db2.gz RPWJMNOTYSTKRP-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](CF)C1 ZINC000881598428 651814865 /nfs/dbraw/zinc/81/48/65/651814865.db2.gz PEAGYOKKSMXUPH-SECBINFHSA-N -1 0 282.271 2.122 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000704785451 809752064 /nfs/dbraw/zinc/75/20/64/809752064.db2.gz HEXOOMFLALEVJU-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CC(C)O[N-]C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC001117770279 814947152 /nfs/dbraw/zinc/94/71/52/814947152.db2.gz QLKAHXRCHYYXKK-MRVPVSSYSA-N -1 0 270.260 2.294 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000715972594 815011673 /nfs/dbraw/zinc/01/16/73/815011673.db2.gz IHTGIBHXZMKKSA-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM Cc1cc(O)c(O[C@H]2CCOC[C@@H]2F)cc1[N+](=O)[O-] ZINC001229755132 809069989 /nfs/dbraw/zinc/06/99/89/809069989.db2.gz VXAQBOLPMQFFFM-KWQFWETISA-N -1 0 271.244 2.115 20 5 CEBDRM O=c1cc(CNc2nccc3c2cccc3[N+](=O)[O-])o[n-]1 ZINC001169480347 811526178 /nfs/dbraw/zinc/52/61/78/811526178.db2.gz CDAMWJCFQVOIGG-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM Cc1conc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502139 816029113 /nfs/dbraw/zinc/02/91/13/816029113.db2.gz GJYHKGJCLRONPS-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM Cc1cc(O)cnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502486 816029420 /nfs/dbraw/zinc/02/94/20/816029420.db2.gz QNIIILYMZHTTKA-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM C[C@H]1C[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141672280 816578655 /nfs/dbraw/zinc/57/86/55/816578655.db2.gz CHEZTGOYMGISIM-NKWVEPMBSA-N -1 0 284.699 2.340 20 5 CEBDRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141909574 816597099 /nfs/dbraw/zinc/59/70/99/816597099.db2.gz KIHJTQMXBJBYRA-JSGCOSHPSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C([O-])[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000033666216 361784194 /nfs/dbraw/zinc/78/41/94/361784194.db2.gz WWIYDZJIGROLCO-LLVKDONJSA-N -1 0 284.699 2.297 20 5 CEBDRM O=C(N[C@@H]1CCCC12CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000601705529 346883097 /nfs/dbraw/zinc/88/30/97/346883097.db2.gz NZOYKPGSNOTNEH-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(N[C@]12C[C@H]1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000601776082 346895252 /nfs/dbraw/zinc/89/52/52/346895252.db2.gz POYDWZQWSQAWLO-QMTHXVAHSA-N -1 0 276.292 2.363 20 5 CEBDRM CCC[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031401 362014890 /nfs/dbraw/zinc/01/48/90/362014890.db2.gz NYHSRZVSLDEVLA-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C2CCC2)cc1=O ZINC000601935973 346932358 /nfs/dbraw/zinc/93/23/58/346932358.db2.gz NBKSXVHNZZIVHV-UHFFFAOYSA-N -1 0 289.291 2.496 20 5 CEBDRM Cc1cc(NCCC[C@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567978368 299103371 /nfs/dbraw/zinc/10/33/71/299103371.db2.gz CEGPXDYXVVZRFT-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM CO[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000567978098 299103602 /nfs/dbraw/zinc/10/36/02/299103602.db2.gz XENZZAWWSJYZAO-ZDUSSCGKSA-N -1 0 296.323 2.305 20 5 CEBDRM C[C@H]1CC2(CCC2)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567984921 299105180 /nfs/dbraw/zinc/10/51/80/299105180.db2.gz FAIJNNQYTGHRBJ-VIFPVBQESA-N -1 0 291.307 2.457 20 5 CEBDRM O=C(/C=C\c1cncs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000493058525 290716724 /nfs/dbraw/zinc/71/67/24/290716724.db2.gz LSHIJCWNDZLCKX-RQOWECAXSA-N -1 0 291.288 2.409 20 5 CEBDRM CCOc1cccc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1[N+](=O)[O-] ZINC000134888824 344378424 /nfs/dbraw/zinc/37/84/24/344378424.db2.gz HGDJOCNALQBJLY-VHSXEESVSA-N -1 0 294.307 2.293 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCS1 ZINC000137189380 344387033 /nfs/dbraw/zinc/38/70/33/344387033.db2.gz CEGFKGVBXYNEQY-MRVPVSSYSA-N -1 0 282.321 2.235 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NCCCCC(=O)[O-])c1 ZINC000155787822 344439261 /nfs/dbraw/zinc/43/92/61/344439261.db2.gz XFGNCCHMTYJZCQ-UHFFFAOYSA-N -1 0 268.269 2.270 20 5 CEBDRM C[C@H]1C[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000159369381 344454599 /nfs/dbraw/zinc/45/45/99/344454599.db2.gz VGKQHQAAZSRJDC-CBAPKCEASA-N -1 0 250.254 2.361 20 5 CEBDRM CC[C@@H](C)CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166670076 344476575 /nfs/dbraw/zinc/47/65/75/344476575.db2.gz HTQSNAYZFVHJPU-MRVPVSSYSA-N -1 0 267.285 2.170 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000300439539 344700248 /nfs/dbraw/zinc/70/02/48/344700248.db2.gz IEXQOECHYHOMQN-YDEXJTGXSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C(N[C@H]1CCCC1(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000589921271 345104965 /nfs/dbraw/zinc/10/49/65/345104965.db2.gz OITADJFPPQGKNS-VIFPVBQESA-N -1 0 286.234 2.218 20 5 CEBDRM CCCCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592963998 345416951 /nfs/dbraw/zinc/41/69/51/345416951.db2.gz KUHAXMHAWBITIC-UHFFFAOYSA-N -1 0 267.285 2.020 20 5 CEBDRM Cc1cc(N[C@@H]2CCC[C@@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969270 345417219 /nfs/dbraw/zinc/41/72/19/345417219.db2.gz PAQQXOFROUEGLN-MWLCHTKSSA-N -1 0 294.307 2.317 20 5 CEBDRM CCC(O)(CC)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592970939 345417321 /nfs/dbraw/zinc/41/73/21/345417321.db2.gz WHFHKPLRITZZEM-UHFFFAOYSA-N -1 0 296.323 2.185 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])s2)CCC1 ZINC000595977461 345920029 /nfs/dbraw/zinc/92/00/29/345920029.db2.gz KAAKEXNYKREFFJ-UHFFFAOYSA-N -1 0 256.283 2.323 20 5 CEBDRM CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000597440699 346185860 /nfs/dbraw/zinc/18/58/60/346185860.db2.gz CFECJIUCDFBTMA-CYBMUJFWSA-N -1 0 294.307 2.444 20 5 CEBDRM CO[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000597443869 346186841 /nfs/dbraw/zinc/18/68/41/346186841.db2.gz YSNRKKASQMOLGK-WCBMZHEXSA-N -1 0 280.280 2.054 20 5 CEBDRM CC(C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000597758990 346227298 /nfs/dbraw/zinc/22/72/98/346227298.db2.gz ZBTYIFUERZQSLC-UHFFFAOYSA-N -1 0 292.213 2.371 20 5 CEBDRM CC(C)(NC(=O)c1cccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC000597757210 346226929 /nfs/dbraw/zinc/22/69/29/346226929.db2.gz GNLMHRUEAZCVHP-UHFFFAOYSA-N -1 0 292.213 2.371 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000598234085 346312594 /nfs/dbraw/zinc/31/25/94/346312594.db2.gz QNGXJEAXPFCFII-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000598235009 346312633 /nfs/dbraw/zinc/31/26/33/346312633.db2.gz VKHYRTATIVSPRH-LBPRGKRZSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NCC1=CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000598376035 346341491 /nfs/dbraw/zinc/34/14/91/346341491.db2.gz LBGUMFKIGGODGK-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598386489 346343426 /nfs/dbraw/zinc/34/34/26/346343426.db2.gz PYDGRLGPMKUZJX-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598388018 346344287 /nfs/dbraw/zinc/34/42/87/346344287.db2.gz WUOUFSMSQQMIGF-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598516538 346369488 /nfs/dbraw/zinc/36/94/88/346369488.db2.gz XQZDLCBZTTYTEF-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM CCC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000600378979 346636549 /nfs/dbraw/zinc/63/65/49/346636549.db2.gz BTULKHDRVGSJFB-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1CN=c1[n-]nc([C@@H]2C[C@@H]2C)o1 ZINC000601064878 346742294 /nfs/dbraw/zinc/74/22/94/346742294.db2.gz SFYKXIFQCDFFQO-JOYOIKCWSA-N -1 0 288.307 2.444 20 5 CEBDRM C[C@H]1C[C@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000601068050 346742984 /nfs/dbraw/zinc/74/29/84/346742984.db2.gz HWRKASILKCRHOX-GZMMTYOYSA-N -1 0 274.280 2.135 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000619431544 349179294 /nfs/dbraw/zinc/17/92/94/349179294.db2.gz TYSNLOCFWWAWQV-BMIGLBTASA-N -1 0 292.335 2.300 20 5 CEBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000089531672 179811062 /nfs/dbraw/zinc/81/10/62/179811062.db2.gz FCKBGACHELLEAG-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM COc1cc(NCCCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000110624802 186306222 /nfs/dbraw/zinc/30/62/22/186306222.db2.gz NUUZNXJINGNYEB-UHFFFAOYSA-N -1 0 272.232 2.019 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(=O)[O-] ZINC000110987673 186338591 /nfs/dbraw/zinc/33/85/91/186338591.db2.gz OUWUGLDHZSLPEA-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000273671905 192256172 /nfs/dbraw/zinc/25/61/72/192256172.db2.gz XQAVCRSIJNFKTE-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CCOC(=O)CN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000338949851 366585352 /nfs/dbraw/zinc/58/53/52/366585352.db2.gz CLNQPLTYCBPZIZ-UHFFFAOYSA-N -1 0 296.323 2.074 20 5 CEBDRM O=C([O-])c1ccnc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000579115575 366596909 /nfs/dbraw/zinc/59/69/09/366596909.db2.gz PQQVIOUDCDFLFG-JEZHCXPESA-N -1 0 277.280 2.289 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000153748952 366737587 /nfs/dbraw/zinc/73/75/87/366737587.db2.gz HZUCWNGLOPGEKQ-ZJUUUORDSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025328340 361623339 /nfs/dbraw/zinc/62/33/39/361623339.db2.gz UQXJAGHETKKLEV-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM O=C([O-])[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261580057 304110492 /nfs/dbraw/zinc/11/04/92/304110492.db2.gz FCZYENUVJPLEHF-MRVPVSSYSA-N -1 0 268.244 2.035 20 5 CEBDRM COCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089530874 363976646 /nfs/dbraw/zinc/97/66/46/363976646.db2.gz RWEOBXBAOGKSNI-UHFFFAOYSA-N -1 0 268.269 2.056 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444684 304114552 /nfs/dbraw/zinc/11/45/52/304114552.db2.gz WSKQIHVBDHHPGI-JTQLQIEISA-N -1 0 284.699 2.297 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000263521875 304123284 /nfs/dbraw/zinc/12/32/84/304123284.db2.gz RHQVJLXAPPKNSG-SECBINFHSA-N -1 0 287.275 2.054 20 5 CEBDRM CC(C)OCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119807101 365327052 /nfs/dbraw/zinc/32/70/52/365327052.db2.gz RZFOFXSAAQFKEL-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CCN1CCCC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166089115 367317415 /nfs/dbraw/zinc/31/74/15/367317415.db2.gz JVTDLSPJIVMLDL-LLVKDONJSA-N -1 0 293.323 2.113 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1C(F)F ZINC000343377008 367780782 /nfs/dbraw/zinc/78/07/82/367780782.db2.gz RZUOTVKDWQKKFC-SECBINFHSA-N -1 0 286.234 2.170 20 5 CEBDRM Cc1ccoc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000343593824 367904991 /nfs/dbraw/zinc/90/49/91/367904991.db2.gz PZEVUNIJFATWBC-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CC[C@@H](O)CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572606028 299384113 /nfs/dbraw/zinc/38/41/13/299384113.db2.gz BQYNNAZOUATIGW-LLVKDONJSA-N -1 0 296.323 2.185 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183293055 368620566 /nfs/dbraw/zinc/62/05/66/368620566.db2.gz XFGHTNJLEGIPNM-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CSCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211894823 370164376 /nfs/dbraw/zinc/16/43/76/370164376.db2.gz GXZXDHWTXUSIBS-UHFFFAOYSA-N -1 0 270.310 2.458 20 5 CEBDRM CC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1 ZINC000227689591 370379543 /nfs/dbraw/zinc/37/95/43/370379543.db2.gz SCGBBHMIBKSJDU-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM CN(CC(C)(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234282592 370533753 /nfs/dbraw/zinc/53/37/53/370533753.db2.gz ZPTZKSFMESEDDN-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000248441460 371195557 /nfs/dbraw/zinc/19/55/57/371195557.db2.gz ABQSMNUQLHCNII-GDGBQDQQSA-N -1 0 262.265 2.285 20 5 CEBDRM CC[C@H]1CC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000361660445 372010227 /nfs/dbraw/zinc/01/02/27/372010227.db2.gz KMEOAKGNVLPJLH-CABZTGNLSA-N -1 0 280.280 2.197 20 5 CEBDRM CCCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269161994 372362381 /nfs/dbraw/zinc/36/23/81/372362381.db2.gz YJPSKWOQHRMCMU-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM O=C(COC1CCCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000275138639 374165225 /nfs/dbraw/zinc/16/52/25/374165225.db2.gz PNGVRYDJECDVGK-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM C[C@@H](C(=O)[O-])N(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000383012162 375196955 /nfs/dbraw/zinc/19/69/55/375196955.db2.gz BWVQOZMYMJNEFH-QMMMGPOBSA-N -1 0 293.279 2.064 20 5 CEBDRM C[C@H](CCCCO)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000398501675 375351289 /nfs/dbraw/zinc/35/12/89/375351289.db2.gz YRNVCIOKNQGGME-SECBINFHSA-N -1 0 282.296 2.256 20 5 CEBDRM O=[N+]([O-])c1cnc([N-]c2cc3n(n2)CCCC3)s1 ZINC000286617366 376015351 /nfs/dbraw/zinc/01/53/51/376015351.db2.gz UKGSZJIBWRPCQN-UHFFFAOYSA-N -1 0 265.298 2.328 20 5 CEBDRM CCCCOCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000563206632 377126370 /nfs/dbraw/zinc/12/63/70/377126370.db2.gz LZCYWPVUVYNKEO-UHFFFAOYSA-N -1 0 296.323 2.451 20 5 CEBDRM C[C@@H]1N(Cc2cc([O-])ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457995 377141850 /nfs/dbraw/zinc/14/18/50/377141850.db2.gz RDZIURSGXKTYNZ-JTQLQIEISA-N -1 0 280.324 2.300 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2(C)CCC2)n1 ZINC000564733240 377443611 /nfs/dbraw/zinc/44/36/11/377443611.db2.gz XCWZACCJTBWBOS-UHFFFAOYSA-N -1 0 279.296 2.020 20 5 CEBDRM CO[C@@H](C)CN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000565366327 377651282 /nfs/dbraw/zinc/65/12/82/377651282.db2.gz BCDRZAWFELUQHO-VIFPVBQESA-N -1 0 282.296 2.073 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000436008459 377817053 /nfs/dbraw/zinc/81/70/53/377817053.db2.gz URMAIFUJZVCIIC-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM CC1(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000517240062 379351489 /nfs/dbraw/zinc/35/14/89/379351489.db2.gz ZICKYMFXLUXQOM-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM CC1(C)CC(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000547752297 380466314 /nfs/dbraw/zinc/46/63/14/380466314.db2.gz UOVCNQDPNZWCRW-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM CCc1coc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000555599135 380835491 /nfs/dbraw/zinc/83/54/91/380835491.db2.gz GXAOMHYVNQZVOD-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM O=C([O-])c1cc(S[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000262983723 304227531 /nfs/dbraw/zinc/22/75/31/304227531.db2.gz NLWIROIMYLJOJH-QMMMGPOBSA-N -1 0 269.278 2.174 20 5 CEBDRM CCCN(CC(=O)[O-])c1cc(C)ccc1[N+](=O)[O-] ZINC000094659020 184836777 /nfs/dbraw/zinc/83/67/77/184836777.db2.gz KHYFIOSRXQMUCT-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000092026403 135075299 /nfs/dbraw/zinc/07/52/99/135075299.db2.gz OGFYPENQNLVZJU-NSHDSACASA-N -1 0 293.323 2.379 20 5 CEBDRM CC(=O)c1cc(N[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000416427374 395061371 /nfs/dbraw/zinc/06/13/71/395061371.db2.gz PNDSUPZDNMKTGM-SSDOTTSWSA-N -1 0 266.253 2.073 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436733987 395150966 /nfs/dbraw/zinc/15/09/66/395150966.db2.gz JDKFGADKIGZNMR-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436971803 395168156 /nfs/dbraw/zinc/16/81/56/395168156.db2.gz LBCBZJJZOYILCL-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H](OCC1CC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183906570 395267287 /nfs/dbraw/zinc/26/72/87/395267287.db2.gz XKRZSQRZMHZKEE-MRVPVSSYSA-N -1 0 280.280 2.054 20 5 CEBDRM Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccn1C ZINC000192560817 395387286 /nfs/dbraw/zinc/38/72/86/395387286.db2.gz RUFIGPDZAIRKBN-UHFFFAOYSA-N -1 0 275.264 2.200 20 5 CEBDRM CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194268481 395430617 /nfs/dbraw/zinc/43/06/17/395430617.db2.gz BKFYNQJHRFEOCC-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000444477833 395433825 /nfs/dbraw/zinc/43/38/25/395433825.db2.gz HUJIXOYZZLAMRY-DTWKUNHWSA-N -1 0 264.281 2.219 20 5 CEBDRM CCOC1CC(N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000566298508 395510940 /nfs/dbraw/zinc/51/09/40/395510940.db2.gz ZLDDAWBXIGNQLV-UHFFFAOYSA-N -1 0 294.307 2.297 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(CCO)CCC2)c1 ZINC000568751559 395569553 /nfs/dbraw/zinc/56/95/53/395569553.db2.gz FHRUKLJSAJIUDZ-UHFFFAOYSA-N -1 0 294.307 2.258 20 5 CEBDRM O=C([O-])CSc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000573805672 395618673 /nfs/dbraw/zinc/61/86/73/395618673.db2.gz JJKDEMRXCLIWHS-UHFFFAOYSA-N -1 0 282.199 2.185 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1[N+](=O)[O-] ZINC000458294415 395642054 /nfs/dbraw/zinc/64/20/54/395642054.db2.gz JWTICIMVWVRZJN-DVVUODLYSA-N -1 0 276.292 2.219 20 5 CEBDRM CC[C@](C)(OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000360021615 155192665 /nfs/dbraw/zinc/19/26/65/155192665.db2.gz GELWCYOORQAHRH-LBPRGKRZSA-N -1 0 268.269 2.054 20 5 CEBDRM CC(C)(CF)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000517375574 297620883 /nfs/dbraw/zinc/62/08/83/297620883.db2.gz XQTIXWIGNRGPCN-UHFFFAOYSA-N -1 0 290.678 2.432 20 5 CEBDRM COC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000360764603 155365015 /nfs/dbraw/zinc/36/50/15/155365015.db2.gz QLCIZMWDONZXEI-RKDXNWHRSA-N -1 0 282.296 2.158 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000229982405 153381614 /nfs/dbraw/zinc/38/16/14/153381614.db2.gz ICVSPRPVFOTEJU-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000062932962 297883297 /nfs/dbraw/zinc/88/32/97/297883297.db2.gz RJWLKIKLFGIUSU-GFCCVEGCSA-N -1 0 268.244 2.035 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](C)C(=O)[O-] ZINC000263195436 154030465 /nfs/dbraw/zinc/03/04/65/154030465.db2.gz LSGBOQVFBHYOLT-VHSXEESVSA-N -1 0 294.307 2.051 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263227756 154036908 /nfs/dbraw/zinc/03/69/08/154036908.db2.gz AXNPKSKIVMCNEQ-UFFNRZRYSA-N -1 0 292.291 2.052 20 5 CEBDRM CCOC(=O)c1cc(NCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000263380499 154070528 /nfs/dbraw/zinc/07/05/28/154070528.db2.gz CJYSBFCKBCOOAF-UHFFFAOYSA-N -1 0 296.279 2.048 20 5 CEBDRM CCC[C@](C)(NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000036337556 172621458 /nfs/dbraw/zinc/62/14/58/172621458.db2.gz NLEAIKLDMVGMOB-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM CCCn1nccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160211759 270238403 /nfs/dbraw/zinc/23/84/03/270238403.db2.gz DHFGOQCUEBBSMG-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000230688180 270313949 /nfs/dbraw/zinc/31/39/49/270313949.db2.gz ZFOHULKGXJOVSX-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NCc1cccs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427906896 271239775 /nfs/dbraw/zinc/23/97/75/271239775.db2.gz UHLLBGPSTSHJGQ-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM Cc1[nH]nc(C(=O)Nc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC000436806495 271689462 /nfs/dbraw/zinc/68/94/62/271689462.db2.gz VYRIZWKRNSIPGY-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000436959061 271697091 /nfs/dbraw/zinc/69/70/91/271697091.db2.gz LOMXPTFEBCUYPL-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC[C@H](C)[C@H](Nc1c([N+](=O)[O-])nc(C)n1CC)C(=O)[O-] ZINC000263393888 287761848 /nfs/dbraw/zinc/76/18/48/287761848.db2.gz GYXJPWQXZZTJAN-CBAPKCEASA-N -1 0 284.316 2.031 20 5 CEBDRM O=C(NCC1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029924949 279595872 /nfs/dbraw/zinc/59/58/72/279595872.db2.gz XLRXXCZCVFHQNL-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C(Nc1cccc(CO)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119693831 279751504 /nfs/dbraw/zinc/75/15/04/279751504.db2.gz IMZHBLYIPJNTMQ-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181864396 280108710 /nfs/dbraw/zinc/10/87/10/280108710.db2.gz ZJGQEGXEQMLXAF-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC(C)=CCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000397711732 280682033 /nfs/dbraw/zinc/68/20/33/280682033.db2.gz DAWUEHOMGBLECI-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(C2CCC2)C1 ZINC000436861465 281408450 /nfs/dbraw/zinc/40/84/50/281408450.db2.gz BIOVCSRWFUBOIS-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](CC(C)C)C(=O)[O-] ZINC000094703566 288757405 /nfs/dbraw/zinc/75/74/05/288757405.db2.gz XHSRMDMPQOZPKR-SNVBAGLBSA-N -1 0 298.343 2.278 20 5 CEBDRM CSCCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486954963 290322899 /nfs/dbraw/zinc/32/28/99/290322899.db2.gz DXEJUVCNUJIDEB-UHFFFAOYSA-N -1 0 294.336 2.232 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164545004 299906765 /nfs/dbraw/zinc/90/67/65/299906765.db2.gz KRJIKIIDCVZFDG-WCBMZHEXSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000408409737 304525994 /nfs/dbraw/zinc/52/59/94/304525994.db2.gz CELHIOVLBHCUDJ-ONGXEEELSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1nc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c[nH]1 ZINC000539746665 298252009 /nfs/dbraw/zinc/25/20/09/298252009.db2.gz HRAKSRIXMQYUBS-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM Cc1ccncc1N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000546656451 298355789 /nfs/dbraw/zinc/35/57/89/298355789.db2.gz WFAVYCJAZWVJFY-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM Cc1cc(N2CCCO[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563714190 298796278 /nfs/dbraw/zinc/79/62/78/298796278.db2.gz HVVIYLGUGOXSAY-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[C@@H]1C ZINC000153779466 300193927 /nfs/dbraw/zinc/19/39/27/300193927.db2.gz UVOSZSXTDGSUQN-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000521875300 313134096 /nfs/dbraw/zinc/13/40/96/313134096.db2.gz YCGROZIOLZXWPL-GXSJLCMTSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2csc([N+](=O)[O-])c2)ncn1 ZINC000532803498 313358983 /nfs/dbraw/zinc/35/89/83/313358983.db2.gz ZPRSUQPNPNFZDP-OWOJBTEDSA-N -1 0 277.261 2.315 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000569605898 314003282 /nfs/dbraw/zinc/00/32/82/314003282.db2.gz UUDXVYSURUFXKK-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@H]1C[C@H]1c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000571735158 314103840 /nfs/dbraw/zinc/10/38/40/314103840.db2.gz NMSRFBJCZJCHCO-QUBYGPBYSA-N -1 0 261.237 2.474 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC(C)=C[C@H](C)C2)n1 ZINC000571926424 314111680 /nfs/dbraw/zinc/11/16/80/314111680.db2.gz QFXZHCJJMCMUDF-QMMMGPOBSA-N -1 0 291.307 2.399 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2[C@@H](C)CC[C@@H]2C)n1 ZINC000577955462 314430480 /nfs/dbraw/zinc/43/04/80/314430480.db2.gz UVFRZCVWKPYLHW-IUCAKERBSA-N -1 0 279.296 2.374 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)CC(=O)[O-] ZINC000579843436 321896692 /nfs/dbraw/zinc/89/66/92/321896692.db2.gz HFQSXHPKPQTDMM-VIFPVBQESA-N -1 0 282.296 2.264 20 5 CEBDRM CC[C@@H](CCO)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000581073067 322367299 /nfs/dbraw/zinc/36/72/99/322367299.db2.gz AIULCFSIMJANCO-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000581609534 322410457 /nfs/dbraw/zinc/41/04/57/322410457.db2.gz FPYWDPZASWTPKC-SSDOTTSWSA-N -1 0 284.699 2.436 20 5 CEBDRM CO[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])C1CC1 ZINC000583696076 322562586 /nfs/dbraw/zinc/56/25/86/322562586.db2.gz DHJLHODRQNQMSZ-ZDUSSCGKSA-N -1 0 294.307 2.438 20 5 CEBDRM CCOCCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211970466 326867025 /nfs/dbraw/zinc/86/70/25/326867025.db2.gz FRPWWCWREVWLKO-UHFFFAOYSA-N -1 0 268.269 2.132 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000354885008 534034279 /nfs/dbraw/zinc/03/42/79/534034279.db2.gz OHOPGBQSDIVCLZ-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM CC(C)OCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000183778863 519758536 /nfs/dbraw/zinc/75/85/36/519758536.db2.gz NBIIEFBUKBORDF-UHFFFAOYSA-N -1 0 282.296 2.444 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157724117 522046627 /nfs/dbraw/zinc/04/66/27/522046627.db2.gz DPEKPICQRRDSPL-MRVPVSSYSA-N -1 0 252.270 2.171 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182833914 522283051 /nfs/dbraw/zinc/28/30/51/522283051.db2.gz GFDIFPVCKJXXOJ-SECBINFHSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1C1CC1 ZINC000364995785 526628674 /nfs/dbraw/zinc/62/86/74/526628674.db2.gz PSSZZARYZAQBJF-LBPRGKRZSA-N -1 0 276.292 2.315 20 5 CEBDRM CCC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000159433716 527742005 /nfs/dbraw/zinc/74/20/05/527742005.db2.gz ZKQBQOIVOGIQLC-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000739593891 574489792 /nfs/dbraw/zinc/48/97/92/574489792.db2.gz ICYQPYXGPDVSRS-UHFFFAOYSA-N -1 0 285.325 2.235 20 5 CEBDRM O=C([O-])Cc1cccc(Nc2ccc([N+](=O)[O-])cn2)c1 ZINC000738630263 574871476 /nfs/dbraw/zinc/87/14/76/574871476.db2.gz IORMRTWEAIFHRM-UHFFFAOYSA-N -1 0 273.248 2.361 20 5 CEBDRM CC(C)(CC(=O)OCc1ccccc1[N+](=O)[O-])NC(=O)[O-] ZINC000738737784 574876011 /nfs/dbraw/zinc/87/60/11/574876011.db2.gz YBEQUOBVNCXDFT-UHFFFAOYSA-N -1 0 296.279 2.074 20 5 CEBDRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739556250 574926004 /nfs/dbraw/zinc/92/60/04/574926004.db2.gz GUAHQRMBQBOGEC-DTWKUNHWSA-N -1 0 299.666 2.012 20 5 CEBDRM O=C([O-])N1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740505938 574956896 /nfs/dbraw/zinc/95/68/96/574956896.db2.gz GXDUACQJEVGZSR-MRVPVSSYSA-N -1 0 285.687 2.412 20 5 CEBDRM Cc1c(NC(=O)N[C@H](C(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000218139113 597025130 /nfs/dbraw/zinc/02/51/30/597025130.db2.gz TWNRYAPRWRNWOZ-NSHDSACASA-N -1 0 295.295 2.134 20 5 CEBDRM O=C([O-])Cc1cccc(Oc2ccncc2[N+](=O)[O-])c1 ZINC000048806711 600011643 /nfs/dbraw/zinc/01/16/43/600011643.db2.gz CZPQXGABNRDQJR-UHFFFAOYSA-N -1 0 274.232 2.409 20 5 CEBDRM C[C@H](Sc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000235536846 600205246 /nfs/dbraw/zinc/20/52/46/600205246.db2.gz ZAUWRCGODKKVFH-BYPYZUCNSA-N -1 0 262.674 2.208 20 5 CEBDRM Cc1nn(C)c(Oc2cccc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000048802311 600502202 /nfs/dbraw/zinc/50/22/02/600502202.db2.gz GTIULOKOHGUBFC-UHFFFAOYSA-N -1 0 277.236 2.127 20 5 CEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2CCCS2)cc([N+](=O)[O-])c1 ZINC000833299719 600787228 /nfs/dbraw/zinc/78/72/28/600787228.db2.gz GROCDYMSLJADGE-JTQLQIEISA-N -1 0 296.304 2.127 20 5 CEBDRM CC(C)OCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000690490236 600818284 /nfs/dbraw/zinc/81/82/84/600818284.db2.gz PUYKCNIVJPSYIC-UHFFFAOYSA-N -1 0 283.280 2.487 20 5 CEBDRM CCC(CC)(NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000094240021 600925469 /nfs/dbraw/zinc/92/54/69/600925469.db2.gz DZSDUJGMQMNGAY-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM CCCCC[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000829349522 601383468 /nfs/dbraw/zinc/38/34/68/601383468.db2.gz YCPNLWLGBWIAFC-VIFPVBQESA-N -1 0 267.285 2.435 20 5 CEBDRM Cc1ccc(N2C[C@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000223794807 601562733 /nfs/dbraw/zinc/56/27/33/601562733.db2.gz MUJNDOSCWYHDJD-ZJUUUORDSA-N -1 0 264.281 2.060 20 5 CEBDRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000827324269 602186721 /nfs/dbraw/zinc/18/67/21/602186721.db2.gz BXXMIVJKWJTXGG-IUCAKERBSA-N -1 0 281.264 2.310 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000829510147 603191611 /nfs/dbraw/zinc/19/16/11/603191611.db2.gz CFZFJJZWAFNEQS-VIFPVBQESA-N -1 0 295.295 2.158 20 5 CEBDRM CN(C[C@@H]1CCCN1c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000828236812 603202866 /nfs/dbraw/zinc/20/28/66/603202866.db2.gz VAFKFQPIQPYMKG-VIFPVBQESA-N -1 0 297.286 2.313 20 5 CEBDRM CN(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000828235107 603204975 /nfs/dbraw/zinc/20/49/75/603204975.db2.gz CSRXBLFTLVOWJS-SNVBAGLBSA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1cnc(N[C@H](CNC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC000830633871 603207224 /nfs/dbraw/zinc/20/72/24/603207224.db2.gz BVARUWLFKRICFV-JTQLQIEISA-N -1 0 296.327 2.392 20 5 CEBDRM C/C(=C/COc1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000214744174 604528016 /nfs/dbraw/zinc/52/80/16/604528016.db2.gz LZQWRQUPPZLZHL-TWGQIWQCSA-N -1 0 251.238 2.313 20 5 CEBDRM Cc1nc(C(=O)[O-])cn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832995683 604773559 /nfs/dbraw/zinc/77/35/59/604773559.db2.gz HUENUECEENVDLF-UHFFFAOYSA-N -1 0 295.682 2.500 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc([N+](=O)[O-])cc2F)O1 ZINC000833581530 604887990 /nfs/dbraw/zinc/88/79/90/604887990.db2.gz WMDMPUSCALZYND-VIFPVBQESA-N -1 0 297.238 2.260 20 5 CEBDRM O=C([O-])CCSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000148413436 605013192 /nfs/dbraw/zinc/01/31/92/605013192.db2.gz ZWRBPZBUPPFUJC-UHFFFAOYSA-N -1 0 262.674 2.210 20 5 CEBDRM CCc1ccc(C(=O)O[C@@H](CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833670487 605016840 /nfs/dbraw/zinc/01/68/40/605016840.db2.gz MPPIAVRYJQVQMK-NSHDSACASA-N -1 0 281.264 2.177 20 5 CEBDRM C[C@@H](CN(C)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000042704439 605036400 /nfs/dbraw/zinc/03/64/00/605036400.db2.gz KQIYKCIOUYVZKQ-ZETCQYMHSA-N -1 0 272.688 2.405 20 5 CEBDRM CCc1ccc(OC(=O)[C@H](CC)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000827589517 605245811 /nfs/dbraw/zinc/24/58/11/605245811.db2.gz NENUPDBJYPXHMW-VIFPVBQESA-N -1 0 296.279 2.109 20 5 CEBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CONC(=O)[O-] ZINC000824418772 605516941 /nfs/dbraw/zinc/51/69/41/605516941.db2.gz QRAGRTXTVNTWGC-UHFFFAOYSA-N -1 0 270.241 2.081 20 5 CEBDRM O=C([O-])N[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000834150834 605921828 /nfs/dbraw/zinc/92/18/28/605921828.db2.gz PLLGXXYVQFIDDX-JTQLQIEISA-N -1 0 283.259 2.192 20 5 CEBDRM CSC(C)(C)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000311863158 627710421 /nfs/dbraw/zinc/71/04/21/627710421.db2.gz RICWZFCCAGPGNJ-UHFFFAOYSA-N -1 0 285.325 2.242 20 5 CEBDRM O=C(OC[C@@H]1CC12CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000893466326 628637293 /nfs/dbraw/zinc/63/72/93/628637293.db2.gz CXCSAZUSGGAHRW-QMMMGPOBSA-N -1 0 250.254 2.270 20 5 CEBDRM CC(C)(C)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262200837 630084351 /nfs/dbraw/zinc/08/43/51/630084351.db2.gz ASAQKVMJJYLHMM-UHFFFAOYSA-N -1 0 294.307 2.459 20 5 CEBDRM O=C(O[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000802223359 631404957 /nfs/dbraw/zinc/40/49/57/631404957.db2.gz RCOGRWIAOYWSNB-JTQLQIEISA-N -1 0 273.248 2.162 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC=C(Cl)C1 ZINC000898196698 632110365 /nfs/dbraw/zinc/11/03/65/632110365.db2.gz ZSZVGQXRTMQJHI-UHFFFAOYSA-N -1 0 282.683 2.269 20 5 CEBDRM O=C([O-])c1ccc(-c2cnn3c2CCCC3)c([N+](=O)[O-])c1 ZINC000900999707 633927287 /nfs/dbraw/zinc/92/72/87/633927287.db2.gz AHOVLMBKOQCXAX-UHFFFAOYSA-N -1 0 287.275 2.493 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000903615703 635181271 /nfs/dbraw/zinc/18/12/71/635181271.db2.gz JOHBJNAWAFKBHX-UHFFFAOYSA-N -1 0 288.300 2.147 20 5 CEBDRM CCONC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000905767399 636454207 /nfs/dbraw/zinc/45/42/07/636454207.db2.gz MABSKEMIUHMMIW-UHFFFAOYSA-N -1 0 272.688 2.249 20 5 CEBDRM Cc1ccc(-c2c(C(=O)[O-])nn3c2CCC3)cc1[N+](=O)[O-] ZINC000906249196 636662283 /nfs/dbraw/zinc/66/22/83/636662283.db2.gz JAAJNJPXIKBKHL-UHFFFAOYSA-N -1 0 287.275 2.411 20 5 CEBDRM CO[C@H]1CC[C@H]1N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910388519 638034211 /nfs/dbraw/zinc/03/42/11/638034211.db2.gz IZXPGIUJRXDYMT-NEPJUHHUSA-N -1 0 294.307 2.215 20 5 CEBDRM COC[C@@H](C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837577825 639291361 /nfs/dbraw/zinc/29/13/61/639291361.db2.gz RNFHLCHFPORLKF-VIFPVBQESA-N -1 0 283.280 2.016 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(CCF)CC1 ZINC000837737014 639366298 /nfs/dbraw/zinc/36/62/98/639366298.db2.gz RCIASBGFVGXEAZ-UHFFFAOYSA-N -1 0 283.255 2.483 20 5 CEBDRM CC[C@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000843036118 640245764 /nfs/dbraw/zinc/24/57/64/640245764.db2.gz IZLRZWVHLOQOFE-ZETCQYMHSA-N -1 0 281.293 2.480 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000834662011 640430312 /nfs/dbraw/zinc/43/03/12/640430312.db2.gz WKLNAKDSBJSPFD-BDAKNGLRSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000844212912 640634081 /nfs/dbraw/zinc/63/40/81/640634081.db2.gz PPCHNKPBUFHPLH-ZJUUUORDSA-N -1 0 278.308 2.457 20 5 CEBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000844218816 640635030 /nfs/dbraw/zinc/63/50/30/640635030.db2.gz QZIIVMJWYDKQQU-HHQZKXIDSA-N -1 0 292.291 2.018 20 5 CEBDRM CCO[N-]C(=O)CNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000845715205 641055752 /nfs/dbraw/zinc/05/57/52/641055752.db2.gz ZHSYLGUZUXDORU-UHFFFAOYSA-N -1 0 287.703 2.036 20 5 CEBDRM CO[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000850177907 642607073 /nfs/dbraw/zinc/60/70/73/642607073.db2.gz OCNAQNIVVFBYHX-ZDUSSCGKSA-N -1 0 295.291 2.159 20 5 CEBDRM CC(C)n1cc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1 ZINC000851240763 642957760 /nfs/dbraw/zinc/95/77/60/642957760.db2.gz JAGGVXHHZXYFSX-QMMMGPOBSA-N -1 0 293.283 2.013 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000227573543 643360325 /nfs/dbraw/zinc/36/03/25/643360325.db2.gz XDTWRRODNJDXEB-MWLCHTKSSA-N -1 0 264.281 2.203 20 5 CEBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccco1 ZINC000764796659 645690626 /nfs/dbraw/zinc/69/06/26/645690626.db2.gz POAQAUUEBUUVOE-ZETCQYMHSA-N -1 0 250.210 2.434 20 5 CEBDRM CC(C)[C@@H](F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000784454258 647851687 /nfs/dbraw/zinc/85/16/87/647851687.db2.gz DVQKVZWNTYXQFK-SNVBAGLBSA-N -1 0 256.233 2.233 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000871033634 648985259 /nfs/dbraw/zinc/98/52/59/648985259.db2.gz DSADOAZLLJSGBO-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC000693429773 802908555 /nfs/dbraw/zinc/90/85/55/802908555.db2.gz JVTACEGSLCLEAX-SCZZXKLOSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000693516550 803018831 /nfs/dbraw/zinc/01/88/31/803018831.db2.gz XTNCKYGWFLLSLH-CABZTGNLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ccncc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120041009 810797136 /nfs/dbraw/zinc/79/71/36/810797136.db2.gz JYLMXXSSARWMJV-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM O=c1cc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)o[n-]1 ZINC001169481689 811528038 /nfs/dbraw/zinc/52/80/38/811528038.db2.gz SKGYLVXFZUJMSE-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM Nc1ccc2cnn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c2c1 ZINC001174504652 816030315 /nfs/dbraw/zinc/03/03/15/816030315.db2.gz WFJVRBLJTCCOQP-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1ncnc(C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503580 816030321 /nfs/dbraw/zinc/03/03/21/816030321.db2.gz RFQTTWPYZCRJQT-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM CC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269270534 190482262 /nfs/dbraw/zinc/48/22/62/190482262.db2.gz GHNHRPNWWZGSPM-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CCCC[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000035095556 361809335 /nfs/dbraw/zinc/80/93/35/361809335.db2.gz NEYXWJYFRGGDSQ-NSHDSACASA-N -1 0 294.307 2.276 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162628 290629791 /nfs/dbraw/zinc/62/97/91/290629791.db2.gz YEEGILZWAKMBCD-IUCAKERBSA-N -1 0 264.281 2.313 20 5 CEBDRM CCC(CC)(NCc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC ZINC000339085981 282141937 /nfs/dbraw/zinc/14/19/37/282141937.db2.gz SZRXBZPXMMVGDI-UHFFFAOYSA-N -1 0 296.323 2.122 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CCC2 ZINC000601943726 346936046 /nfs/dbraw/zinc/93/60/46/346936046.db2.gz TZVMIBIALGMYMY-JTQLQIEISA-N -1 0 259.265 2.406 20 5 CEBDRM CC[C@@H](C)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000601958797 346943083 /nfs/dbraw/zinc/94/30/83/346943083.db2.gz PFOCYAAGZKXFOL-SECBINFHSA-N -1 0 261.281 2.330 20 5 CEBDRM CCC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128553186 365795907 /nfs/dbraw/zinc/79/59/07/365795907.db2.gz OYTNZYCDWBWDCN-UHFFFAOYSA-N -1 0 290.316 2.201 20 5 CEBDRM C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000130116996 344350206 /nfs/dbraw/zinc/35/02/06/344350206.db2.gz HEZKMPVCBWTVBS-BDAKNGLRSA-N -1 0 279.296 2.170 20 5 CEBDRM Cc1nc(N2CCC(CCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000123404856 344310284 /nfs/dbraw/zinc/31/02/84/344310284.db2.gz PYNSUURGDDFXHV-UHFFFAOYSA-N -1 0 293.323 2.379 20 5 CEBDRM COc1cc(NC[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000147523288 344412346 /nfs/dbraw/zinc/41/23/46/344412346.db2.gz ZPCKFDNPQOYBSU-QMMMGPOBSA-N -1 0 268.269 2.126 20 5 CEBDRM CCCCOCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000160348242 344458225 /nfs/dbraw/zinc/45/82/25/344458225.db2.gz KZMYNJDNGHTLAZ-UHFFFAOYSA-N -1 0 297.311 2.307 20 5 CEBDRM Cc1cccc(NC[C@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000235109705 344589044 /nfs/dbraw/zinc/58/90/44/344589044.db2.gz JOYYIAVTZODWQP-MRVPVSSYSA-N -1 0 252.270 2.426 20 5 CEBDRM CCc1n[n-]c(=Nc2ccccc2[N+](=O)[O-])s1 ZINC000584638179 344971860 /nfs/dbraw/zinc/97/18/60/344971860.db2.gz BGGUGSPMRJPJDB-UHFFFAOYSA-N -1 0 250.283 2.174 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2sccc2[N+](=O)[O-])C1 ZINC000591561674 345264619 /nfs/dbraw/zinc/26/46/19/345264619.db2.gz XKXZRWBJZGOTPH-SFYZADRCSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000592420597 345350987 /nfs/dbraw/zinc/35/09/87/345350987.db2.gz FJNYPIUFARRTRF-VXNVDRBHSA-N -1 0 299.714 2.190 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000592904203 345414248 /nfs/dbraw/zinc/41/42/48/345414248.db2.gz WTVMILPMIZVHAK-LPEHRKFASA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000592980441 345418534 /nfs/dbraw/zinc/41/85/34/345418534.db2.gz GNBZXNPQWLFRRY-JGVFFNPUSA-N -1 0 270.310 2.203 20 5 CEBDRM CCc1ccc(C(=O)N(C)[C@H](CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593925321 345552966 /nfs/dbraw/zinc/55/29/66/345552966.db2.gz OKHYZSFBYNCYNI-LLVKDONJSA-N -1 0 294.307 2.092 20 5 CEBDRM CC(C)[C@@H](CNc1sccc1[N+](=O)[O-])C(=O)[O-] ZINC000594541170 345645480 /nfs/dbraw/zinc/64/54/80/345645480.db2.gz QKGXMDYCZXLWOG-SSDOTTSWSA-N -1 0 258.299 2.425 20 5 CEBDRM CC12CC(C1)CN2c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000596025600 345924520 /nfs/dbraw/zinc/92/45/20/345924520.db2.gz FSWFSSMPIWXKEN-UHFFFAOYSA-N -1 0 262.265 2.282 20 5 CEBDRM CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000597442918 346186459 /nfs/dbraw/zinc/18/64/59/346186459.db2.gz PBQAIAHOOWBXJQ-RTHLEPHNSA-N -1 0 292.291 2.054 20 5 CEBDRM O=C(NCC1=CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598376558 346341668 /nfs/dbraw/zinc/34/16/68/346341668.db2.gz OPOWEKFGDHXLSS-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598549423 346372879 /nfs/dbraw/zinc/37/28/79/346372879.db2.gz AAOVETNNEYWAMU-SECBINFHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598786000 346419844 /nfs/dbraw/zinc/41/98/44/346419844.db2.gz YWOORXGPWNGQME-SSDOTTSWSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCCCC1 ZINC000194738158 232511075 /nfs/dbraw/zinc/51/10/75/232511075.db2.gz KZTXOMRUYXTJKQ-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000600678556 346671841 /nfs/dbraw/zinc/67/18/41/346671841.db2.gz KPWLQXUZMDYFJP-GXFFZTMASA-N -1 0 292.291 2.272 20 5 CEBDRM CC[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880319 346703210 /nfs/dbraw/zinc/70/32/10/346703210.db2.gz ZCTIBVAEBXURBJ-LKFCYVNXSA-N -1 0 294.307 2.057 20 5 CEBDRM O=C(Cc1ccco1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356319306 370657237 /nfs/dbraw/zinc/65/72/37/370657237.db2.gz IAGSWEJAWIALEZ-UHFFFAOYSA-N -1 0 262.221 2.075 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558440 347794559 /nfs/dbraw/zinc/79/45/59/347794559.db2.gz LKFWKKUDMNVJKP-QMMMGPOBSA-N -1 0 286.234 2.218 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000613906747 348122156 /nfs/dbraw/zinc/12/21/56/348122156.db2.gz UCHVGBHCDKYLLC-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273403063 192139234 /nfs/dbraw/zinc/13/92/34/192139234.db2.gz JCXLZYKNOLJDTM-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM CC(C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271308923 191065137 /nfs/dbraw/zinc/06/51/37/191065137.db2.gz UYLSYCBINMOZKS-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000352105044 219321768 /nfs/dbraw/zinc/32/17/68/219321768.db2.gz FBYFQQLVKLMIIL-VIFPVBQESA-N -1 0 266.297 2.417 20 5 CEBDRM CCN(CC(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164190780 188621103 /nfs/dbraw/zinc/62/11/03/188621103.db2.gz KHNRPFKUPXTFCE-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CSC2(C)C)n1 ZINC000575872523 366368837 /nfs/dbraw/zinc/36/88/37/366368837.db2.gz RKVKESHJIURFAM-QMMMGPOBSA-N -1 0 297.336 2.302 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)F ZINC000452246631 283229670 /nfs/dbraw/zinc/22/96/70/283229670.db2.gz ONACQZGTQBMIKV-SECBINFHSA-N -1 0 274.223 2.074 20 5 CEBDRM CC(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148385787 366581172 /nfs/dbraw/zinc/58/11/72/366581172.db2.gz YJUORQOPWJKVOK-MRVPVSSYSA-N -1 0 287.703 2.412 20 5 CEBDRM CC(=O)c1cc(N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000571407303 299307912 /nfs/dbraw/zinc/30/79/12/299307912.db2.gz AVYVYZPTIXTSKU-KCJUWKMLSA-N -1 0 292.291 2.097 20 5 CEBDRM CCCCOCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017442089 361509816 /nfs/dbraw/zinc/50/98/16/361509816.db2.gz RNCCZVSTTGAHRZ-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(O)c1 ZINC000084831131 363823644 /nfs/dbraw/zinc/82/36/44/363823644.db2.gz WSGFXHDQCZNWEI-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CCCSCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540901 363977856 /nfs/dbraw/zinc/97/78/56/363977856.db2.gz UDSHECBFCFTSJV-UHFFFAOYSA-N -1 0 270.310 2.382 20 5 CEBDRM O=C([O-])CC1(Nc2nc3sccn3c2[N+](=O)[O-])CCC1 ZINC000094291514 364265121 /nfs/dbraw/zinc/26/51/21/364265121.db2.gz QTMMNJSSXIRPOL-UHFFFAOYSA-N -1 0 296.308 2.113 20 5 CEBDRM CN(Cc1nccs1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356638106 370779513 /nfs/dbraw/zinc/77/95/13/370779513.db2.gz UUDQCBPDIVMMPK-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM Cc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000581943924 366838282 /nfs/dbraw/zinc/83/82/82/366838282.db2.gz HPGMMGZVVNOAJD-LLVKDONJSA-N -1 0 280.280 2.199 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157817769 366849504 /nfs/dbraw/zinc/84/95/04/366849504.db2.gz NFDZDHMEWATMST-KCJUWKMLSA-N -1 0 264.281 2.219 20 5 CEBDRM CSC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119105000 365218016 /nfs/dbraw/zinc/21/80/16/365218016.db2.gz YNCWMHVYKPNFJD-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC[C@@H](CCO)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582847510 366967109 /nfs/dbraw/zinc/96/71/09/366967109.db2.gz SCDKUFBENQVOQC-JTQLQIEISA-N -1 0 296.323 2.422 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3cccnc3)no2)cc1[O-] ZINC000340658129 366971537 /nfs/dbraw/zinc/97/15/37/366971537.db2.gz VNKSMUIETXDNAI-UHFFFAOYSA-N -1 0 298.258 2.336 20 5 CEBDRM CC[C@@]1(C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000583443631 367049923 /nfs/dbraw/zinc/04/99/23/367049923.db2.gz XGJNTQCCQJNCBK-AWEZNQCLSA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000161123308 367059753 /nfs/dbraw/zinc/05/97/53/367059753.db2.gz CCCHOMZWUFJXHD-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000162647646 367176689 /nfs/dbraw/zinc/17/66/89/367176689.db2.gz LOSXDTNMDHWYAV-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)C(=O)[O-])n1 ZINC000162708934 367182265 /nfs/dbraw/zinc/18/22/65/367182265.db2.gz LVHOVHLZFRPJRH-JTQLQIEISA-N -1 0 281.312 2.457 20 5 CEBDRM O=C([O-])c1cnc(NC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000162406973 367157587 /nfs/dbraw/zinc/15/75/87/367157587.db2.gz OTGDHBLKLYIYSK-VIFPVBQESA-N -1 0 277.280 2.456 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CC=CCC2)n1 ZINC000166795954 367330234 /nfs/dbraw/zinc/33/02/34/367330234.db2.gz KRNJDRUKJMMZFX-MRVPVSSYSA-N -1 0 263.253 2.209 20 5 CEBDRM COC(C)(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000174185139 367995432 /nfs/dbraw/zinc/99/54/32/367995432.db2.gz VSRONGQQTOFYKB-SECBINFHSA-N -1 0 296.323 2.234 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181772727 368493299 /nfs/dbraw/zinc/49/32/99/368493299.db2.gz LRANYCNVVVWMMU-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM Cc1ccc(NC(=O)c2cccc3n[nH]nc32)cc1[N+](=O)[O-] ZINC000183291634 368619892 /nfs/dbraw/zinc/61/98/92/368619892.db2.gz FRPJTTMVVXGWST-UHFFFAOYSA-N -1 0 297.274 2.427 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186134154 368923197 /nfs/dbraw/zinc/92/31/97/368923197.db2.gz YHENOIPANKGVKF-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM CN(CC1CCC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234254997 370532102 /nfs/dbraw/zinc/53/21/02/370532102.db2.gz AJGRLERHWYITMR-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(NCCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561049 370592379 /nfs/dbraw/zinc/59/23/79/370592379.db2.gz TWGSISVABSOFLH-UHFFFAOYSA-N -1 0 286.287 2.273 20 5 CEBDRM O=C([O-])CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236426394 370588090 /nfs/dbraw/zinc/58/80/90/370588090.db2.gz NBGAJWAUUDNZBN-UHFFFAOYSA-N -1 0 293.201 2.285 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]c2ncccc12 ZINC000356281975 370639475 /nfs/dbraw/zinc/63/94/75/370639475.db2.gz OYJRHAZJXOFKAH-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269231261 372388656 /nfs/dbraw/zinc/38/86/56/372388656.db2.gz GARSEAKEEONGBP-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272327518 373432154 /nfs/dbraw/zinc/43/21/54/373432154.db2.gz CSXMNQBDEGNTHE-VIFPVBQESA-N -1 0 266.297 2.417 20 5 CEBDRM CC(C)=CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000276739532 374285931 /nfs/dbraw/zinc/28/59/31/374285931.db2.gz XSQSIYBPCAREDK-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM COC1(c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CCC1 ZINC000277725267 374624588 /nfs/dbraw/zinc/62/45/88/374624588.db2.gz AYZWKYJAHFJHFT-UHFFFAOYSA-N -1 0 291.263 2.376 20 5 CEBDRM CC[C@@]1(C)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000399419086 375364443 /nfs/dbraw/zinc/36/44/43/375364443.db2.gz JBQYUVANAZBESC-ZDUSSCGKSA-N -1 0 279.296 2.314 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000263483619 304192691 /nfs/dbraw/zinc/19/26/91/304192691.db2.gz GVAULRKCMVLGTQ-JTQLQIEISA-N -1 0 287.275 2.054 20 5 CEBDRM CSCCCN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000311361353 376666189 /nfs/dbraw/zinc/66/61/89/376666189.db2.gz BLXXXZNDYOCBTC-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1cc(N(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000042703932 249298804 /nfs/dbraw/zinc/29/88/04/249298804.db2.gz QHZAAQMXDKRLCB-VIFPVBQESA-N -1 0 252.270 2.060 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(CF)CC1 ZINC000295555892 378210175 /nfs/dbraw/zinc/21/01/75/378210175.db2.gz FCUOYPXGJMQPML-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OC ZINC000295988290 378382106 /nfs/dbraw/zinc/38/21/06/378382106.db2.gz JZWYIUYWAVMTIQ-JOYOIKCWSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000574522133 299503307 /nfs/dbraw/zinc/50/33/07/299503307.db2.gz PPJHIWQXETVCSS-VGMNWLOBSA-N -1 0 277.280 2.289 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458108731 380011193 /nfs/dbraw/zinc/01/11/93/380011193.db2.gz DUFUMBKEBBNMGB-VHSXEESVSA-N -1 0 264.281 2.075 20 5 CEBDRM C[C@H]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000334071271 380231729 /nfs/dbraw/zinc/23/17/29/380231729.db2.gz ZYBLQQKLQSGKQN-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H]1CC[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000334086084 380236702 /nfs/dbraw/zinc/23/67/02/380236702.db2.gz ANPMKFRYZKMIGL-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM Cc1cc(NC[C@H](O)C2CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574919961 299540887 /nfs/dbraw/zinc/54/08/87/299540887.db2.gz SDGVTNYRTUOYAS-LBPRGKRZSA-N -1 0 294.307 2.174 20 5 CEBDRM CO[C@@H]1CC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000575049220 299552880 /nfs/dbraw/zinc/55/28/80/299552880.db2.gz XTEHKJGEZRDUAX-GHMZBOCLSA-N -1 0 294.307 2.201 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000350127433 218990607 /nfs/dbraw/zinc/99/06/07/218990607.db2.gz YIUZTOKZDHZHOL-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000094290455 184777080 /nfs/dbraw/zinc/77/70/80/184777080.db2.gz ZRQMOMPFHGJAGI-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C(NCc1cccs1)c1cccc([O-])c1[N+](=O)[O-] ZINC000355463796 394459248 /nfs/dbraw/zinc/45/92/48/394459248.db2.gz GPIWQEFPPZKGQE-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000089530824 394648990 /nfs/dbraw/zinc/64/89/90/394648990.db2.gz JKNMPEMNFGPOLL-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CO[C@H](CC(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000416177400 395027341 /nfs/dbraw/zinc/02/73/41/395027341.db2.gz IFYUXJFFQYKPTC-GFCCVEGCSA-N -1 0 282.296 2.300 20 5 CEBDRM CCCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194738234 395447278 /nfs/dbraw/zinc/44/72/78/395447278.db2.gz RLPNOYWIYGLVQO-UHFFFAOYSA-N -1 0 252.270 2.220 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCC1 ZINC000193640439 395413118 /nfs/dbraw/zinc/41/31/18/395413118.db2.gz JGAUYVADRXSDAM-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000567865966 395537140 /nfs/dbraw/zinc/53/71/40/395537140.db2.gz KCXBKEHEODIPHB-BDAKNGLRSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000261692337 153812414 /nfs/dbraw/zinc/81/24/14/153812414.db2.gz NKRMLTRTMLMYGE-UHFFFAOYSA-N -1 0 292.291 2.487 20 5 CEBDRM CC(=O)c1ccc(N[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000262193362 153924144 /nfs/dbraw/zinc/92/41/44/153924144.db2.gz ZBCVWAGJAHDWPT-GFCCVEGCSA-N -1 0 280.280 2.319 20 5 CEBDRM Cc1cc(N(C)CC(=O)[O-])c([N+](=O)[O-])cc1C(F)(F)F ZINC000263407785 154078082 /nfs/dbraw/zinc/07/80/82/154078082.db2.gz LELVMWBYJNVJEK-UHFFFAOYSA-N -1 0 292.213 2.443 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000368645563 156382612 /nfs/dbraw/zinc/38/26/12/156382612.db2.gz GPTBTNNTVRIJAQ-IYYTYJHQSA-N -1 0 292.291 2.054 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H](C2CC2)C1 ZINC000374303384 156958250 /nfs/dbraw/zinc/95/82/50/156958250.db2.gz UGIRXFIQBQZHLA-JTQLQIEISA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC000183750266 165406783 /nfs/dbraw/zinc/40/67/83/165406783.db2.gz OBSJKWAHSQRERV-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000038026155 174011123 /nfs/dbraw/zinc/01/11/23/174011123.db2.gz UMVPRYFXHJOLDV-LLVKDONJSA-N -1 0 292.291 2.064 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031372 174454793 /nfs/dbraw/zinc/45/47/93/174454793.db2.gz DLBPHOVWUSISHZ-UFBFGSQYSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](F)C2)c1 ZINC000565837072 298925789 /nfs/dbraw/zinc/92/57/89/298925789.db2.gz XKBQRCBXMUHDTC-SECBINFHSA-N -1 0 268.244 2.231 20 5 CEBDRM Cc1cc(NC(=O)N(C)C[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000043570333 175068093 /nfs/dbraw/zinc/06/80/93/175068093.db2.gz FGPUCDORTDBULP-VIFPVBQESA-N -1 0 295.295 2.088 20 5 CEBDRM CCOC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044728048 175239226 /nfs/dbraw/zinc/23/92/26/175239226.db2.gz CLVPRQVGAVTMLM-QMMMGPOBSA-N -1 0 268.269 2.130 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@](C)(F)C2)n1 ZINC000566917342 299029789 /nfs/dbraw/zinc/02/97/89/299029789.db2.gz IZVXPTZOJJOLAG-CYBMUJFWSA-N -1 0 297.286 2.325 20 5 CEBDRM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccco2)c1 ZINC000355881444 228034187 /nfs/dbraw/zinc/03/41/87/228034187.db2.gz MWNPRVYSXZSMJX-UHFFFAOYSA-N -1 0 286.240 2.128 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225816770 270309497 /nfs/dbraw/zinc/30/94/97/270309497.db2.gz GAHYBVZTRRYTFX-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235672838 270315104 /nfs/dbraw/zinc/31/51/04/270315104.db2.gz SWVRDYIZXJZJDT-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000287080874 281138195 /nfs/dbraw/zinc/13/81/95/281138195.db2.gz KMQFPSWOFCQHKW-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCS1 ZINC000408112716 281222777 /nfs/dbraw/zinc/22/27/77/281222777.db2.gz PQJDKWKOVVWYRA-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000408417066 288660560 /nfs/dbraw/zinc/66/05/60/288660560.db2.gz XEGFNTWSGNZCMK-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM CCn1nccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000152627021 289094971 /nfs/dbraw/zinc/09/49/71/289094971.db2.gz BWCVJQNHBJMTSA-ONEGZZNKSA-N -1 0 288.263 2.075 20 5 CEBDRM CC1(C)CC(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000548057534 298390263 /nfs/dbraw/zinc/39/02/63/298390263.db2.gz CCZMPUMSNQYBDX-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM Cc1cc(N2CCC[C@H]2C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000311827187 301337863 /nfs/dbraw/zinc/33/78/63/301337863.db2.gz KUEGOUCIRNFTEC-VIFPVBQESA-N -1 0 268.244 2.096 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000094658979 301851937 /nfs/dbraw/zinc/85/19/37/301851937.db2.gz ULQXBRYCMVJIAI-SNVBAGLBSA-N -1 0 264.281 2.204 20 5 CEBDRM Cc1cccc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[N+](=O)[O-] ZINC000263221194 301999068 /nfs/dbraw/zinc/99/90/68/301999068.db2.gz PDEANEPEFQTDFJ-GXSJLCMTSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000003159158 303741876 /nfs/dbraw/zinc/74/18/76/303741876.db2.gz GOKIUXFVMAQXFI-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM O=C(N[C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000160380656 303935696 /nfs/dbraw/zinc/93/56/96/303935696.db2.gz XSIBVNPXIKTRLD-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2ccccc2[N+](=O)[O-])ncn1 ZINC000533582869 313371448 /nfs/dbraw/zinc/37/14/48/313371448.db2.gz PUCMWGOZQQFXEH-WAYWQWQTSA-N -1 0 271.232 2.253 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC[C@H]2C)n1 ZINC000565037366 313791791 /nfs/dbraw/zinc/79/17/91/313791791.db2.gz OMWOBSZBOFLWIH-SECBINFHSA-N -1 0 279.296 2.375 20 5 CEBDRM Cc1cc(N2CCSC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000570635878 314050233 /nfs/dbraw/zinc/05/02/33/314050233.db2.gz YPNQOTPCDKCLQF-JTQLQIEISA-N -1 0 296.348 2.157 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000573447238 314157793 /nfs/dbraw/zinc/15/77/93/314157793.db2.gz DAAQRNIYXTWCQG-OPQQBVKSSA-N -1 0 292.291 2.272 20 5 CEBDRM Cc1cc(NCC[C@H](C)CCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575319603 314217265 /nfs/dbraw/zinc/21/72/65/314217265.db2.gz YCVIILOJNVVPGK-VIFPVBQESA-N -1 0 296.323 2.422 20 5 CEBDRM CCc1coc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000582978378 322516910 /nfs/dbraw/zinc/51/69/10/322516910.db2.gz RAFUTFYSCDAVDG-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000185032424 522982236 /nfs/dbraw/zinc/98/22/36/522982236.db2.gz UCQGBLOVKIVXLV-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM COCCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182444152 523483601 /nfs/dbraw/zinc/48/36/01/523483601.db2.gz UYQBGRBKQSHYJD-VIFPVBQESA-N -1 0 282.296 2.302 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])CC1 ZINC000738072268 574445520 /nfs/dbraw/zinc/44/55/20/574445520.db2.gz SWRHQKJBXPXHRR-UHFFFAOYSA-N -1 0 294.307 2.042 20 5 CEBDRM CSC[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738188690 574502752 /nfs/dbraw/zinc/50/27/52/574502752.db2.gz PETJEXTVMCYHQU-SSDOTTSWSA-N -1 0 298.320 2.231 20 5 CEBDRM CSCCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738190239 574853334 /nfs/dbraw/zinc/85/33/34/574853334.db2.gz FMSCBGKEFSWZED-UHFFFAOYSA-N -1 0 298.320 2.375 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000738572948 574868259 /nfs/dbraw/zinc/86/82/59/574868259.db2.gz BMYBEWSGCCMAKL-UHFFFAOYSA-N -1 0 273.266 2.068 20 5 CEBDRM O=C([O-])N1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000738645949 574872604 /nfs/dbraw/zinc/87/26/04/574872604.db2.gz ZHRFOAHKXCLCKW-UHFFFAOYSA-N -1 0 299.714 2.044 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738663951 574873259 /nfs/dbraw/zinc/87/32/59/574873259.db2.gz GUQGWKWQBWYSRA-NSHDSACASA-N -1 0 296.279 2.101 20 5 CEBDRM Cc1nn(Cc2ccc(F)cc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000738929252 574886130 /nfs/dbraw/zinc/88/61/30/574886130.db2.gz ZHIQODXEKAXYEA-UHFFFAOYSA-N -1 0 293.254 2.294 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1NC(=O)[O-] ZINC000739190363 574898803 /nfs/dbraw/zinc/89/88/03/574898803.db2.gz GMUFHMLEHWHFQX-JGVFFNPUSA-N -1 0 285.325 2.139 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)N1C(=O)[O-] ZINC000739188098 574898899 /nfs/dbraw/zinc/89/88/99/574898899.db2.gz BJPQESJAANOTKL-RKDXNWHRSA-N -1 0 297.286 2.311 20 5 CEBDRM C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739198175 574899158 /nfs/dbraw/zinc/89/91/58/574899158.db2.gz LCOOTMZOFGSTLT-HTQZYQBOSA-N -1 0 285.325 2.139 20 5 CEBDRM C[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739200580 574899479 /nfs/dbraw/zinc/89/94/79/574899479.db2.gz UZJRROXIFMKOOJ-OCAPTIKFSA-N -1 0 285.325 2.233 20 5 CEBDRM O=C([O-])NCCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000740653608 574963291 /nfs/dbraw/zinc/96/32/91/574963291.db2.gz ZUFQNTSEMIQPIE-UHFFFAOYSA-N -1 0 290.279 2.213 20 5 CEBDRM O=C(NC12CCC(CC1)C2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000753136720 575320618 /nfs/dbraw/zinc/32/06/18/575320618.db2.gz UHBLEIYFMUXRNY-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C([O-])CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000262124901 597140254 /nfs/dbraw/zinc/14/02/54/597140254.db2.gz MWRWQTRTCBKOBV-UHFFFAOYSA-N -1 0 276.195 2.083 20 5 CEBDRM O=C([O-])[C@H]1CC12CCN(c1ccsc1[N+](=O)[O-])CC2 ZINC000405486066 600283379 /nfs/dbraw/zinc/28/33/79/600283379.db2.gz LVAMEEBPJNTGCC-MRVPVSSYSA-N -1 0 282.321 2.347 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000003748144 600410979 /nfs/dbraw/zinc/41/09/79/600410979.db2.gz WWIYDZJIGROLCO-NSHDSACASA-N -1 0 284.699 2.297 20 5 CEBDRM C/C(=C/COc1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000214615135 600728080 /nfs/dbraw/zinc/72/80/80/600728080.db2.gz YLFLNFCKDGVFIU-UITAMQMPSA-N -1 0 251.238 2.313 20 5 CEBDRM C/C(=C/COc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000214734915 601097667 /nfs/dbraw/zinc/09/76/67/601097667.db2.gz DKFVMRHCESYDFU-UITAMQMPSA-N -1 0 251.238 2.313 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1OC/C=C(/C)C(=O)[O-] ZINC000088629858 601099336 /nfs/dbraw/zinc/09/93/36/601099336.db2.gz FWKUEJYDWMPEAT-YVMONPNESA-N -1 0 267.237 2.013 20 5 CEBDRM C/C(=C\COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825774988 601407204 /nfs/dbraw/zinc/40/72/04/601407204.db2.gz JIENAUJMXRNGHL-QPJJXVBHSA-N -1 0 299.666 2.436 20 5 CEBDRM CC(C)(CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000164879472 601681389 /nfs/dbraw/zinc/68/13/89/601681389.db2.gz DZYVNFHYXWKVCY-UHFFFAOYSA-N -1 0 283.240 2.026 20 5 CEBDRM CC(C)[C@@H](C)OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000826681269 602042984 /nfs/dbraw/zinc/04/29/84/602042984.db2.gz OJLSUCKHNBWNJA-MRVPVSSYSA-N -1 0 281.264 2.494 20 5 CEBDRM O=C([O-])NC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000832520964 603200394 /nfs/dbraw/zinc/20/03/94/603200394.db2.gz INGQHNWEBGKPOD-MWLCHTKSSA-N -1 0 294.311 2.228 20 5 CEBDRM Cc1cnc(NC[C@@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830634161 603207511 /nfs/dbraw/zinc/20/75/11/603207511.db2.gz LBVKOAIUHBWFMC-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM CC(C)(CNc1cccc(F)c1[N+](=O)[O-])NC(=O)[O-] ZINC000824011089 603519155 /nfs/dbraw/zinc/51/91/55/603519155.db2.gz CAJMMAIZCRRFFI-UHFFFAOYSA-N -1 0 271.248 2.192 20 5 CEBDRM Cc1cc(NC[C@@H](NC(=O)[O-])C(C)C)ncc1[N+](=O)[O-] ZINC000830123366 603890264 /nfs/dbraw/zinc/89/02/64/603890264.db2.gz UXSJXBCQXXCNSO-SECBINFHSA-N -1 0 282.300 2.002 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](NC(=O)[O-])C1 ZINC000825638026 604036288 /nfs/dbraw/zinc/03/62/88/604036288.db2.gz JCONEZHBSUBVIQ-QWRGUYRKSA-N -1 0 293.323 2.388 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000830434029 604056725 /nfs/dbraw/zinc/05/67/25/604056725.db2.gz YPSQTDJJDPGLIM-VIFPVBQESA-N -1 0 295.295 2.088 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cc(C)ccc2[N+](=O)[O-])O1 ZINC000833576788 604887183 /nfs/dbraw/zinc/88/71/83/604887183.db2.gz DNVKURUAWNCCJY-JTQLQIEISA-N -1 0 293.275 2.430 20 5 CEBDRM C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000235363153 605212572 /nfs/dbraw/zinc/21/25/72/605212572.db2.gz OHSXOPFCMJVUSP-LDYMZIIASA-N -1 0 298.726 2.401 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1F ZINC000825844849 605487960 /nfs/dbraw/zinc/48/79/60/605487960.db2.gz MQAMBSTXAOASQN-BDAKNGLRSA-N -1 0 297.286 2.359 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000825843533 605490418 /nfs/dbraw/zinc/49/04/18/605490418.db2.gz ATBFWXRCMZQDLA-NXEZZACHSA-N -1 0 279.296 2.220 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCNC(=O)[O-] ZINC000833907840 605914237 /nfs/dbraw/zinc/91/42/37/605914237.db2.gz VIAJTUWHDCASNP-UHFFFAOYSA-N -1 0 295.295 2.280 20 5 CEBDRM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000890766452 622943139 /nfs/dbraw/zinc/94/31/39/622943139.db2.gz CAGMBCMATHIQDX-MWLCHTKSSA-N -1 0 276.292 2.385 20 5 CEBDRM Cc1ccc(N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000312569745 628307377 /nfs/dbraw/zinc/30/73/77/628307377.db2.gz SEVUWKFERIBMBY-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cocn1 ZINC000105366830 628785711 /nfs/dbraw/zinc/78/57/11/628785711.db2.gz UXURRUHGHCXGJJ-UHFFFAOYSA-N -1 0 269.163 2.113 20 5 CEBDRM Cc1nc(N2CCCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000123365532 628986340 /nfs/dbraw/zinc/98/63/40/628986340.db2.gz AQFDAFAHQUMCPD-JTQLQIEISA-N -1 0 279.296 2.132 20 5 CEBDRM CCn1nc(C)cc1-c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000901047923 633938412 /nfs/dbraw/zinc/93/84/12/633938412.db2.gz PITLHSRYSOSTHM-UHFFFAOYSA-N -1 0 289.291 2.414 20 5 CEBDRM CO[C@@H]1CC[C@H]1N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910388522 638034048 /nfs/dbraw/zinc/03/40/48/638034048.db2.gz IZXPGIUJRXDYMT-VXGBXAGGSA-N -1 0 294.307 2.215 20 5 CEBDRM CO[C@@H]1CC[C@@H]1N(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910388520 638034570 /nfs/dbraw/zinc/03/45/70/638034570.db2.gz IZXPGIUJRXDYMT-NWDGAFQWSA-N -1 0 294.307 2.215 20 5 CEBDRM CSC[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837512222 639261400 /nfs/dbraw/zinc/26/14/00/639261400.db2.gz BQPHTOOBDYJJGI-QMMMGPOBSA-N -1 0 285.321 2.343 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226762240 639564178 /nfs/dbraw/zinc/56/41/78/639564178.db2.gz FWKPXECODQDOSS-LLVKDONJSA-N -1 0 285.325 2.133 20 5 CEBDRM Cc1cc(N(C)CC(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841491223 639776401 /nfs/dbraw/zinc/77/64/01/639776401.db2.gz ORZPEMIVZBSZBD-UHFFFAOYSA-N -1 0 258.661 2.077 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(F)CC1 ZINC000843847461 640541954 /nfs/dbraw/zinc/54/19/54/640541954.db2.gz ZLZXIIOZBGSDGK-UHFFFAOYSA-N -1 0 274.635 2.394 20 5 CEBDRM Cc1cc(NCC2(O)CCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844206337 640632346 /nfs/dbraw/zinc/63/23/46/640632346.db2.gz FLCNYEZGNWCMCB-UHFFFAOYSA-N -1 0 294.307 2.318 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCC=C(F)C2)c([N+](=O)[O-])c1 ZINC000844214038 640633401 /nfs/dbraw/zinc/63/34/01/640633401.db2.gz NQMSHFRSNNQYBJ-UHFFFAOYSA-N -1 0 280.255 2.285 20 5 CEBDRM O=C([O-])Cc1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000844211840 640634157 /nfs/dbraw/zinc/63/41/57/640634157.db2.gz IRFRZYPSPXXUSH-GFCCVEGCSA-N -1 0 290.319 2.458 20 5 CEBDRM Nc1ccc(NCC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC000844219104 640634788 /nfs/dbraw/zinc/63/47/88/640634788.db2.gz QVYBUWSZDXSZDG-UHFFFAOYSA-N -1 0 279.296 2.234 20 5 CEBDRM Cc1ccc(N2CCSC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844220041 640634869 /nfs/dbraw/zinc/63/48/69/640634869.db2.gz ZMCLWRSUZZWVHT-SNVBAGLBSA-N -1 0 296.348 2.157 20 5 CEBDRM C[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000923056735 643541495 /nfs/dbraw/zinc/54/14/95/643541495.db2.gz CEAJVOOBKAXVFI-NOZJJQNGSA-N -1 0 295.291 2.159 20 5 CEBDRM CS[C@H]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780590852 647449646 /nfs/dbraw/zinc/44/96/46/647449646.db2.gz VMABAODXSPSCJO-CABZTGNLSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C(Nn1cnc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000788266056 648167353 /nfs/dbraw/zinc/16/73/53/648167353.db2.gz MMCNLESGAQJFNJ-UHFFFAOYSA-N -1 0 298.258 2.034 20 5 CEBDRM CCCO[N-]C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869085828 648348150 /nfs/dbraw/zinc/34/81/50/648348150.db2.gz IXKWOLVEARIVDZ-UHFFFAOYSA-N -1 0 278.308 2.474 20 5 CEBDRM C[C@H]1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000132995927 652581688 /nfs/dbraw/zinc/58/16/88/652581688.db2.gz KLWINHQCDVLHJT-JGVFFNPUSA-N -1 0 265.269 2.289 20 5 CEBDRM CC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331518 805580743 /nfs/dbraw/zinc/58/07/43/805580743.db2.gz LLVXEWHWENZFRB-SCZZXKLOSA-N -1 0 267.285 2.438 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000694983557 803601710 /nfs/dbraw/zinc/60/17/10/803601710.db2.gz DNBPZGMROREQNU-SNVBAGLBSA-N -1 0 262.265 2.489 20 5 CEBDRM CCC[C@H](CC(=O)OC)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490809 804884853 /nfs/dbraw/zinc/88/48/53/804884853.db2.gz LFVGYBHIQDYROB-SNVBAGLBSA-N -1 0 283.280 2.411 20 5 CEBDRM C[C@@H](Oc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001225491130 804885354 /nfs/dbraw/zinc/88/53/54/804885354.db2.gz MRUCGFLLWSFVGX-MRVPVSSYSA-N -1 0 283.280 2.409 20 5 CEBDRM Cc1cc(O)c(O[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC001229754412 809070462 /nfs/dbraw/zinc/07/04/62/809070462.db2.gz OSXLWEKCKWKZAR-SKDRFNHKSA-N -1 0 267.281 2.413 20 5 CEBDRM O=c1nc(O[C@H]2CCCC[C@H]2F)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231076066 810587585 /nfs/dbraw/zinc/58/75/85/810587585.db2.gz KHPIIYOSWILWDM-RITPCOANSA-N -1 0 291.666 2.403 20 5 CEBDRM COc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccn1 ZINC001174502085 816029275 /nfs/dbraw/zinc/02/92/75/816029275.db2.gz FEMWKRLIKYIAHJ-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc(C)n1 ZINC001174502363 816029485 /nfs/dbraw/zinc/02/94/85/816029485.db2.gz LRSRCQGAKGXIJD-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM COc1cccnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503141 816030544 /nfs/dbraw/zinc/03/05/44/816030544.db2.gz VTUUEGFJGUFJCM-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM O=C([O-])c1cc(Nc2cnc3ccnn3c2)cc([N+](=O)[O-])c1 ZINC001176672950 816452899 /nfs/dbraw/zinc/45/28/99/816452899.db2.gz PZLHUDYDJVRMKC-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM Cc1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)n1 ZINC001176674302 816453983 /nfs/dbraw/zinc/45/39/83/816453983.db2.gz IMVGFEDWLBZKAL-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM COc1ncccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673654 816454009 /nfs/dbraw/zinc/45/40/09/816454009.db2.gz ZTDWYOOXTVWZIJ-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM Nc1ccc2cnn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2c1 ZINC001176677839 816454245 /nfs/dbraw/zinc/45/42/45/816454245.db2.gz CUIXLMHHQMUEOZ-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1cnc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])CC2 ZINC001179115755 816836341 /nfs/dbraw/zinc/83/63/41/816836341.db2.gz LGHZWYUAGNENJN-UHFFFAOYSA-N -1 0 299.286 2.207 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269143270 190471946 /nfs/dbraw/zinc/47/19/46/190471946.db2.gz OEMSIQCJMHGOAS-QMMMGPOBSA-N -1 0 252.270 2.075 20 5 CEBDRM Cc1cc(NC(=O)NO[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000121301424 365548743 /nfs/dbraw/zinc/54/87/43/365548743.db2.gz LZXYOCQTUGNZJR-LBPRGKRZSA-N -1 0 295.295 2.483 20 5 CEBDRM O=C(N[C@@H]1CCCC12CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000601706054 346883170 /nfs/dbraw/zinc/88/31/70/346883170.db2.gz RTKNRNZZDLDLDJ-LLVKDONJSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(N[C@]12C[C@H]1CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000601776691 346895314 /nfs/dbraw/zinc/89/53/14/346895314.db2.gz RBFCUZOARYOAOK-QMTHXVAHSA-N -1 0 276.292 2.363 20 5 CEBDRM CC1(F)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000601869216 346919474 /nfs/dbraw/zinc/91/94/74/346919474.db2.gz PKPZIEXPOBYAFP-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157871505 529650510 /nfs/dbraw/zinc/65/05/10/529650510.db2.gz DBOFBWWKUPYPIY-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM CC1(c2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]2)CC1 ZINC000601935779 346931608 /nfs/dbraw/zinc/93/16/08/346931608.db2.gz YKUWVAQJXWQGJL-UHFFFAOYSA-N -1 0 259.265 2.488 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c([C@H]2CCOC2)cc1=O ZINC000601935088 346931709 /nfs/dbraw/zinc/93/17/09/346931709.db2.gz HARBBPRVODPQJL-JTQLQIEISA-N -1 0 289.291 2.032 20 5 CEBDRM CCCN(CC(=O)OCC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092380317 344187058 /nfs/dbraw/zinc/18/70/58/344187058.db2.gz QCBPRZCTEZIJAS-UHFFFAOYSA-N -1 0 296.323 2.076 20 5 CEBDRM CCc1ocnc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092545918 344194352 /nfs/dbraw/zinc/19/43/52/344194352.db2.gz GWLHVQLWGHHEJQ-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@H](C)CC(=O)[O-])c1 ZINC000147442886 344412195 /nfs/dbraw/zinc/41/21/95/344412195.db2.gz JVEFJSWQZVCLMP-MRVPVSSYSA-N -1 0 268.269 2.126 20 5 CEBDRM C[C@@]1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCCS1 ZINC000166813758 344477520 /nfs/dbraw/zinc/47/75/20/344477520.db2.gz AIDDYLPMINVJGK-LBPRGKRZSA-N -1 0 297.336 2.386 20 5 CEBDRM Cc1cccc(NC[C@@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000235476426 344591697 /nfs/dbraw/zinc/59/16/97/344591697.db2.gz JOYYIAVTZODWQP-QMMMGPOBSA-N -1 0 252.270 2.426 20 5 CEBDRM CC(C)n1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000232803556 344579438 /nfs/dbraw/zinc/57/94/38/344579438.db2.gz PJDOCDTZHPSKHT-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CC1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCC1 ZINC000232818949 344579452 /nfs/dbraw/zinc/57/94/52/344579452.db2.gz PFLOKCYCRRRZPG-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235076070 344588836 /nfs/dbraw/zinc/58/88/36/344588836.db2.gz HFLOORICHCHWKK-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM CCOc1cccc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c1[N+](=O)[O-] ZINC000252854851 344642419 /nfs/dbraw/zinc/64/24/19/344642419.db2.gz HGDJOCNALQBJLY-NXEZZACHSA-N -1 0 294.307 2.293 20 5 CEBDRM O=C(Nc1ccn2ccnc2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000590342975 345130561 /nfs/dbraw/zinc/13/05/61/345130561.db2.gz XTVLPBRILIIKOX-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C(NC/C=C\c1cccnc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000590397400 345133534 /nfs/dbraw/zinc/13/35/34/345133534.db2.gz RIMZJCSIPUPURG-HYXAFXHYSA-N -1 0 299.286 2.139 20 5 CEBDRM CSCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000592967149 345417288 /nfs/dbraw/zinc/41/72/88/345417288.db2.gz VQJBUSLGLGGUMY-UHFFFAOYSA-N -1 0 270.310 2.376 20 5 CEBDRM Cc1cc(NC[C@H]2CCC[C@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970850 345417359 /nfs/dbraw/zinc/41/73/59/345417359.db2.gz IOQCPCARMUIZMD-BXKDBHETSA-N -1 0 294.307 2.174 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000592976155 345417733 /nfs/dbraw/zinc/41/77/33/345417733.db2.gz QXBZEBWAONRUGW-JTQLQIEISA-N -1 0 291.307 2.314 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000592980894 345418569 /nfs/dbraw/zinc/41/85/69/345418569.db2.gz GFHJMOUQQVRNMQ-LLVKDONJSA-N -1 0 270.310 2.347 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593327521 345467073 /nfs/dbraw/zinc/46/70/73/345467073.db2.gz ODBWVCFYBAWJDZ-GFCCVEGCSA-N -1 0 289.291 2.442 20 5 CEBDRM C[C@H](CN(C)c1ccnc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000593327556 345467199 /nfs/dbraw/zinc/46/71/99/345467199.db2.gz PWQOFSSVWLXHME-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593755572 345533261 /nfs/dbraw/zinc/53/32/61/345533261.db2.gz PBSDRVMTAPIAAN-DYLAAIIWSA-N -1 0 292.291 2.333 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC(F)(F)C1 ZINC000593789944 345538966 /nfs/dbraw/zinc/53/89/66/345538966.db2.gz ZICCTAGIKVMMCF-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593886117 345548382 /nfs/dbraw/zinc/54/83/82/345548382.db2.gz JLPKVYUQBTWYHF-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000593884086 345548463 /nfs/dbraw/zinc/54/84/63/345548463.db2.gz XTHRLKCPNIDSCT-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CC1(C)C[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000594737262 345682547 /nfs/dbraw/zinc/68/25/47/345682547.db2.gz VXWVOVJOLVJFRE-JTQLQIEISA-N -1 0 294.307 2.201 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000595970255 345918994 /nfs/dbraw/zinc/91/89/94/345918994.db2.gz VEDPHOWXBIGCQV-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@H]2CC2(C)C)n1 ZINC000596025918 345924550 /nfs/dbraw/zinc/92/45/50/345924550.db2.gz JZWPAYACXSEBJB-SECBINFHSA-N -1 0 293.323 2.479 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000597830120 346237126 /nfs/dbraw/zinc/23/71/26/346237126.db2.gz RRBVUPAENXQMMC-ONGXEEELSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598209463 346306036 /nfs/dbraw/zinc/30/60/36/346306036.db2.gz UJEAKXSRQBCDQD-BFVZDQMLSA-N -1 0 290.319 2.466 20 5 CEBDRM CCSC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000598331300 346328839 /nfs/dbraw/zinc/32/88/39/346328839.db2.gz ZSPKXBYHGLGSGQ-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600878565 346702677 /nfs/dbraw/zinc/70/26/77/346702677.db2.gz YISUWDXCAYWFJS-CQSZACIVSA-N -1 0 294.307 2.057 20 5 CEBDRM Cn1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000493384160 290802255 /nfs/dbraw/zinc/80/22/55/290802255.db2.gz INIPVRDLGWEJIL-GORDUTHDSA-N -1 0 287.275 2.291 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1CN=c1[n-]nc(C(C)C)o1 ZINC000450270800 282534885 /nfs/dbraw/zinc/53/48/85/282534885.db2.gz NUZVECUKMANUGK-UHFFFAOYSA-N -1 0 292.295 2.144 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611553552 347793943 /nfs/dbraw/zinc/79/39/43/347793943.db2.gz QKGDAYXDPJSNOF-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000611555404 347793979 /nfs/dbraw/zinc/79/39/79/347793979.db2.gz XRLLJHHMJIIXCW-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1F ZINC000611535888 347792420 /nfs/dbraw/zinc/79/24/20/347792420.db2.gz FCLKEFBRUDALPL-LDYMZIIASA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613886495 348119891 /nfs/dbraw/zinc/11/98/91/348119891.db2.gz SRAZJAOHFBXTJH-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCCC(=O)[O-] ZINC000070200926 363055630 /nfs/dbraw/zinc/05/56/30/363055630.db2.gz OGWQBZWYYFVPHE-UHFFFAOYSA-N -1 0 295.295 2.280 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000569248994 299191632 /nfs/dbraw/zinc/19/16/32/299191632.db2.gz UZJDDRYTXIMGGA-SNVBAGLBSA-N -1 0 276.292 2.434 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@@H](C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034198 313791037 /nfs/dbraw/zinc/79/10/37/313791037.db2.gz BIARXQXEZVIZNF-IUCAKERBSA-N -1 0 282.296 2.030 20 5 CEBDRM C[C@@H]1CC(CCN=c2[n-]cc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000338484236 366377297 /nfs/dbraw/zinc/37/72/97/366377297.db2.gz KUFOMJQMFPTKIV-RKDXNWHRSA-N -1 0 285.369 2.479 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2[C@H](C)CC[C@H]2C)n1 ZINC000577955463 366421135 /nfs/dbraw/zinc/42/11/35/366421135.db2.gz UVFRZCVWKPYLHW-RKDXNWHRSA-N -1 0 279.296 2.374 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000452781591 283382748 /nfs/dbraw/zinc/38/27/48/283382748.db2.gz WXGHKVZNAYSFAS-SCZZXKLOSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000452819307 283392574 /nfs/dbraw/zinc/39/25/74/283392574.db2.gz TZRSDCCNKOYDHB-RNCFNFMXSA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cncs1 ZINC000338899240 366563954 /nfs/dbraw/zinc/56/39/54/366563954.db2.gz GSAVXSNBZQDKQK-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080987624 363692785 /nfs/dbraw/zinc/69/27/85/363692785.db2.gz AAHJVZWVWMVFDY-GFCCVEGCSA-N -1 0 292.291 2.064 20 5 CEBDRM Cc1cc(N2CCOC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579113960 366596568 /nfs/dbraw/zinc/59/65/68/366596568.db2.gz XIUYTITVMANPSA-UHFFFAOYSA-N -1 0 294.307 2.217 20 5 CEBDRM CC(=O)c1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000571407304 299308263 /nfs/dbraw/zinc/30/82/63/299308263.db2.gz AVYVYZPTIXTSKU-KWQFWETISA-N -1 0 292.291 2.097 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178400635 189113101 /nfs/dbraw/zinc/11/31/01/189113101.db2.gz UGUKIOWJDQAHQJ-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCO1 ZINC000180779727 189275148 /nfs/dbraw/zinc/27/51/48/189275148.db2.gz AITSQFFSZYMFOF-VIFPVBQESA-N -1 0 286.671 2.071 20 5 CEBDRM Cc1noc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000026476663 361641132 /nfs/dbraw/zinc/64/11/32/361641132.db2.gz UFDPLUYEUOHMIW-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H](CC(C)C)C(=O)[O-] ZINC000094703498 364288867 /nfs/dbraw/zinc/28/88/67/364288867.db2.gz QFFITSIWTAKQAC-SNVBAGLBSA-N -1 0 281.312 2.457 20 5 CEBDRM O=C(N[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158188143 366854120 /nfs/dbraw/zinc/85/41/20/366854120.db2.gz BXQWKPSUVPHBKS-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192968984 189632568 /nfs/dbraw/zinc/63/25/68/189632568.db2.gz OQDICAAELFDMGS-SECBINFHSA-N -1 0 294.307 2.315 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cn2ccccc2n1 ZINC000340541150 366928582 /nfs/dbraw/zinc/92/85/82/366928582.db2.gz ACQNNUORYGZYRG-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CC[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000166103418 367318258 /nfs/dbraw/zinc/31/82/58/367318258.db2.gz LHSDGAVMYZRPOU-GXSJLCMTSA-N -1 0 294.307 2.444 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182183988 368532281 /nfs/dbraw/zinc/53/22/81/368532281.db2.gz KYYDLEAPMDHEHM-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM CO[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000572725436 299393399 /nfs/dbraw/zinc/39/33/99/299393399.db2.gz MZUXBVKIBXELFF-JTQLQIEISA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631789 203061586 /nfs/dbraw/zinc/06/15/86/203061586.db2.gz GNYSWTYGVFQFRH-AOOOYVTPSA-N -1 0 293.323 2.112 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187874750 369242531 /nfs/dbraw/zinc/24/25/31/369242531.db2.gz KJKLGNHWOSUXAZ-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM CCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572884821 299409203 /nfs/dbraw/zinc/40/92/03/299409203.db2.gz WRHBXDOCRULSBI-UHFFFAOYSA-N -1 0 252.270 2.448 20 5 CEBDRM C[C@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCO1 ZINC000211939510 370164625 /nfs/dbraw/zinc/16/46/25/370164625.db2.gz WFCCTWIAWJKRQM-CYBMUJFWSA-N -1 0 280.280 2.274 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000231901639 370498405 /nfs/dbraw/zinc/49/84/05/370498405.db2.gz HDUUZMYJSPXNGY-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235437241 370565679 /nfs/dbraw/zinc/56/56/79/370565679.db2.gz CMDVAOUFDPLABK-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c([N-]c2ccn(CC(F)F)n2)n1 ZINC000359095864 371335426 /nfs/dbraw/zinc/33/54/26/371335426.db2.gz KJKVJHGVFCFGQY-UHFFFAOYSA-N -1 0 297.265 2.234 20 5 CEBDRM O=[N+]([O-])c1ccccc1CCN=c1nc(C2CC2)[n-]s1 ZINC000344076768 217040454 /nfs/dbraw/zinc/04/04/54/217040454.db2.gz MZILBNJOYGGUQF-UHFFFAOYSA-N -1 0 290.348 2.400 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000263155822 371931341 /nfs/dbraw/zinc/93/13/41/371931341.db2.gz HWAIUXJZYYEPRU-DTWKUNHWSA-N -1 0 282.271 2.281 20 5 CEBDRM CC1=CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272433063 373482351 /nfs/dbraw/zinc/48/23/51/373482351.db2.gz SLTSPNVTAKDBQG-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272643660 373597908 /nfs/dbraw/zinc/59/79/08/373597908.db2.gz FBGAVNVVHOPANY-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM CSC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC1 ZINC000280098919 375089726 /nfs/dbraw/zinc/08/97/26/375089726.db2.gz MLPUZROUFLKSFK-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]1c1cccnc1 ZINC000378422891 375097814 /nfs/dbraw/zinc/09/78/14/375097814.db2.gz KNPQXUOEHPHYGK-VXGBXAGGSA-N -1 0 299.286 2.438 20 5 CEBDRM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000282449433 375485969 /nfs/dbraw/zinc/48/59/69/375485969.db2.gz KCZWHRKLHCDMPX-DNSOKLHBSA-N -1 0 280.280 2.052 20 5 CEBDRM CCCC[C@H](COC)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574043789 299473281 /nfs/dbraw/zinc/47/32/81/299473281.db2.gz TXCUDUGKLJZGID-SECBINFHSA-N -1 0 297.311 2.305 20 5 CEBDRM CCCN(CC(=O)[O-])c1cc(C)c([N+](=O)[O-])cc1F ZINC000312046629 376701099 /nfs/dbraw/zinc/70/10/99/376701099.db2.gz ZNBDAORLTHBWSU-UHFFFAOYSA-N -1 0 270.260 2.343 20 5 CEBDRM CC[C@@H]1CO[C@@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330417251 377122861 /nfs/dbraw/zinc/12/28/61/377122861.db2.gz DPUOXBGNJHPXTA-CMPLNLGQSA-N -1 0 280.324 2.300 20 5 CEBDRM CC[C@@]1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330463426 377147259 /nfs/dbraw/zinc/14/72/59/377147259.db2.gz ZLBIBJSYJUEKOF-AWEZNQCLSA-N -1 0 280.324 2.301 20 5 CEBDRM Cn1nc([N-]c2ncc([N+](=O)[O-])s2)cc1C1CC1 ZINC000291263529 377148582 /nfs/dbraw/zinc/14/85/82/377148582.db2.gz ZIKCTMXKXHBURP-UHFFFAOYSA-N -1 0 265.298 2.406 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563959538 377329387 /nfs/dbraw/zinc/32/93/87/377329387.db2.gz ICSFKDJFXPPWOL-VIFPVBQESA-N -1 0 280.280 2.192 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCC[C@@H]2C)n1 ZINC000565037367 377539765 /nfs/dbraw/zinc/53/97/65/377539765.db2.gz OMWOBSZBOFLWIH-VIFPVBQESA-N -1 0 279.296 2.375 20 5 CEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccn1 ZINC000184909451 249334786 /nfs/dbraw/zinc/33/47/86/249334786.db2.gz FERXGJSSHDUVRL-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000450538256 378464303 /nfs/dbraw/zinc/46/43/03/378464303.db2.gz FTQJNDISCAZHDG-VXNVDRBHSA-N -1 0 250.254 2.285 20 5 CEBDRM O=C([O-])[C@@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000347228550 218163142 /nfs/dbraw/zinc/16/31/42/218163142.db2.gz HQOJITFWLOPBDP-SECBINFHSA-N -1 0 293.304 2.159 20 5 CEBDRM Cc1ccnc(NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000302553582 379395272 /nfs/dbraw/zinc/39/52/72/379395272.db2.gz KMHDDKVGGBKOHK-UHFFFAOYSA-N -1 0 267.285 2.211 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000456865866 379580122 /nfs/dbraw/zinc/58/01/22/379580122.db2.gz GRLKBOGGDILMBV-ONGXEEELSA-N -1 0 276.292 2.076 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000541873802 380283110 /nfs/dbraw/zinc/28/31/10/380283110.db2.gz YAJZHHAEPUQKRO-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM CC(=O)c1cc(SCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000551966300 380669842 /nfs/dbraw/zinc/66/98/42/380669842.db2.gz LZYSLDVNBVYIJS-UHFFFAOYSA-N -1 0 269.278 2.364 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000338926036 285136693 /nfs/dbraw/zinc/13/66/93/285136693.db2.gz ODMZMQWZONRLEM-ZIAGYGMSSA-N -1 0 278.308 2.054 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000355526003 394462824 /nfs/dbraw/zinc/46/28/24/394462824.db2.gz WCWZQRVMFFRFSO-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@]12C[C@@H]1CCC2 ZINC000421806322 394600980 /nfs/dbraw/zinc/60/09/80/394600980.db2.gz YYEFFPZRQQEDMS-SDBXPKJASA-N -1 0 262.265 2.429 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(C1)CCCC2 ZINC000428308356 395144638 /nfs/dbraw/zinc/14/46/38/395144638.db2.gz HQPVKCXEKARNFZ-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436999379 395172901 /nfs/dbraw/zinc/17/29/01/395172901.db2.gz LDXGYWQKYBGKQM-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM CCOC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)C ZINC000191433556 395359783 /nfs/dbraw/zinc/35/97/83/395359783.db2.gz YIIWHINGLQRRSG-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1cc(NCCC2(O)CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566293201 395510324 /nfs/dbraw/zinc/51/03/24/395510324.db2.gz IQPYNFLXMUPADF-UHFFFAOYSA-N -1 0 294.307 2.318 20 5 CEBDRM COC[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000574521653 395631439 /nfs/dbraw/zinc/63/14/39/395631439.db2.gz GDRJTNIZSBPHEG-QMMMGPOBSA-N -1 0 282.296 2.296 20 5 CEBDRM O=C([O-])c1coc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000228166542 153358114 /nfs/dbraw/zinc/35/81/14/153358114.db2.gz TXDZARKNYJZXDX-UHFFFAOYSA-N -1 0 276.248 2.176 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119190825 296693734 /nfs/dbraw/zinc/69/37/34/296693734.db2.gz RIRWKGZJNNOWRU-DTORHVGOSA-N -1 0 264.281 2.313 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)C(=O)[O-] ZINC000263195431 154031776 /nfs/dbraw/zinc/03/17/76/154031776.db2.gz LSGBOQVFBHYOLT-NXEZZACHSA-N -1 0 294.307 2.051 20 5 CEBDRM O=C([O-])C1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000263385864 154072462 /nfs/dbraw/zinc/07/24/62/154072462.db2.gz DRZTVAKOCRNCFA-UHFFFAOYSA-N -1 0 283.259 2.184 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])no1 ZINC000172833835 162419187 /nfs/dbraw/zinc/41/91/87/162419187.db2.gz IBUOEKOAVBJKQA-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000019269964 170766578 /nfs/dbraw/zinc/76/65/78/170766578.db2.gz DAYJHUVCGLQKMT-UFBFGSQYSA-N -1 0 294.307 2.132 20 5 CEBDRM CCN(CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC000038023999 174006212 /nfs/dbraw/zinc/00/62/12/174006212.db2.gz JWUNFQWWVGLQMI-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1 ZINC000077165948 177229596 /nfs/dbraw/zinc/22/95/96/177229596.db2.gz MAQJPYCMQNHFSH-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC[C@@H](Sc1ncnc2cccc([N+](=O)[O-])c21)C(=O)[O-] ZINC000566917095 299029641 /nfs/dbraw/zinc/02/96/41/299029641.db2.gz HEQOFEOZPFLYPZ-SECBINFHSA-N -1 0 293.304 2.493 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184579898 299830722 /nfs/dbraw/zinc/83/07/22/299830722.db2.gz DXSSVCFDYDCXCM-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185287791 262304571 /nfs/dbraw/zinc/30/45/71/262304571.db2.gz DFLICGNNJIVSQN-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC(C)[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000225823011 270309706 /nfs/dbraw/zinc/30/97/06/270309706.db2.gz DAYNFBYXCPCCCL-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000231901687 270314757 /nfs/dbraw/zinc/31/47/57/270314757.db2.gz URPOHJORBAYVQV-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436939852 271694994 /nfs/dbraw/zinc/69/49/94/271694994.db2.gz RQQXEZQYTJYDMK-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436868994 281409101 /nfs/dbraw/zinc/40/91/01/281409101.db2.gz BPZRBENLLIJWSL-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM COc1cc(N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC000110624980 294995079 /nfs/dbraw/zinc/99/50/79/294995079.db2.gz MBNLQZPWKWSHAK-ZDUSSCGKSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccccc2[N+](=O)[O-])C1 ZINC000263218969 297216693 /nfs/dbraw/zinc/21/66/93/297216693.db2.gz OQMZGRMEGBOYNG-NXEZZACHSA-N -1 0 264.281 2.142 20 5 CEBDRM CC(C)[C@H](C)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162439616 297452152 /nfs/dbraw/zinc/45/21/52/297452152.db2.gz LXFWCXGJONQZDK-MRVPVSSYSA-N -1 0 267.285 2.392 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000372238838 304534357 /nfs/dbraw/zinc/53/43/57/304534357.db2.gz ZCBOOEURAQJFCL-SNVBAGLBSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000368322784 304551019 /nfs/dbraw/zinc/55/10/19/304551019.db2.gz WJIGMVLHROVRTF-MWLCHTKSSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1cc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566009722 298938721 /nfs/dbraw/zinc/93/87/21/298938721.db2.gz IIKWJHOSGIUSQC-SKDRFNHKSA-N -1 0 278.308 2.450 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC(=O)C1 ZINC000566277314 298962070 /nfs/dbraw/zinc/96/20/70/298962070.db2.gz DMLXEHNLYADTPI-ZCFIWIBFSA-N -1 0 298.682 2.262 20 5 CEBDRM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000159198768 302004372 /nfs/dbraw/zinc/00/43/72/302004372.db2.gz UDFRKKABFXEFDC-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1csc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000194742387 302429304 /nfs/dbraw/zinc/42/93/04/302429304.db2.gz PMTRERFTLHWVDH-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC(C)(C)c1nc(=NCCc2cccc([N+](=O)[O-])c2)[n-]o1 ZINC000546762430 313511726 /nfs/dbraw/zinc/51/17/26/313511726.db2.gz SESAWRPBXBUIJK-UHFFFAOYSA-N -1 0 290.323 2.352 20 5 CEBDRM Cc1cc(NCC2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563208127 313722730 /nfs/dbraw/zinc/72/27/30/313722730.db2.gz UOLMJPOMRSDDOU-UHFFFAOYSA-N -1 0 250.254 2.423 20 5 CEBDRM Cc1cc(NC[C@H](O)C2CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567052019 313883020 /nfs/dbraw/zinc/88/30/20/313883020.db2.gz JXHBMNROPGAHPH-ZDUSSCGKSA-N -1 0 294.307 2.174 20 5 CEBDRM COc1cnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000568114213 313932702 /nfs/dbraw/zinc/93/27/02/313932702.db2.gz OUFAAMMDRIAPMR-UHFFFAOYSA-N -1 0 295.276 2.018 20 5 CEBDRM O=C(NCCCCF)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570282783 314032607 /nfs/dbraw/zinc/03/26/07/314032607.db2.gz PCRDDEPECHCMEJ-UHFFFAOYSA-N -1 0 290.678 2.433 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](C)C(C)C)n1 ZINC000570335922 314034177 /nfs/dbraw/zinc/03/41/77/314034177.db2.gz PHSRTVRDAWEFCG-QMMMGPOBSA-N -1 0 281.312 2.122 20 5 CEBDRM Cc1cc(S[C@@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570399509 314037909 /nfs/dbraw/zinc/03/79/09/314037909.db2.gz FAMXIXZXAUHZKJ-MRVPVSSYSA-N -1 0 283.305 2.482 20 5 CEBDRM CC[C@H](C)[C@@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572043073 314118457 /nfs/dbraw/zinc/11/84/57/314118457.db2.gz GTTBZQSRRJYUIV-ZANVPECISA-N -1 0 296.323 2.041 20 5 CEBDRM COC1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000576403194 314272962 /nfs/dbraw/zinc/27/29/62/314272962.db2.gz RDLHZONNDQXNLU-UHFFFAOYSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCS1 ZINC000379471005 321826006 /nfs/dbraw/zinc/82/60/06/321826006.db2.gz QKEQHTIIMZNOBN-QMMMGPOBSA-N -1 0 297.336 2.020 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000582966899 322515701 /nfs/dbraw/zinc/51/57/01/322515701.db2.gz UVAPIDWUTHGFGF-WCBMZHEXSA-N -1 0 296.710 2.482 20 5 CEBDRM CC(C)(C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182444224 518871764 /nfs/dbraw/zinc/87/17/64/518871764.db2.gz IQJSBRJURRUMTL-UHFFFAOYSA-N -1 0 268.269 2.054 20 5 CEBDRM CC(C)OCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183903087 519756555 /nfs/dbraw/zinc/75/65/55/519756555.db2.gz HNVJCSHXBVPNKW-UHFFFAOYSA-N -1 0 268.269 2.054 20 5 CEBDRM O=C([O-])[C@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000061609781 526303380 /nfs/dbraw/zinc/30/33/80/526303380.db2.gz DLNUARVYQXSANG-LLVKDONJSA-N -1 0 287.275 2.270 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000054297361 527628971 /nfs/dbraw/zinc/62/89/71/527628971.db2.gz NGGVXZIISLKKAP-VIFPVBQESA-N -1 0 282.271 2.425 20 5 CEBDRM O=Cc1ccc(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)o1 ZINC000874972598 649878234 /nfs/dbraw/zinc/87/82/34/649878234.db2.gz GWNRXHCYBPARLO-UHFFFAOYSA-N -1 0 261.189 2.366 20 5 CEBDRM CCOC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000211480711 574440290 /nfs/dbraw/zinc/44/02/90/574440290.db2.gz HVDFLDKCAOFGHD-UHFFFAOYSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C([O-])c1ccc(CNCc2csc([N+](=O)[O-])c2)o1 ZINC000740132295 574442271 /nfs/dbraw/zinc/44/22/71/574442271.db2.gz JUPSEUOERAMPMS-UHFFFAOYSA-N -1 0 282.277 2.237 20 5 CEBDRM O=C([O-])CC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000738564596 574477158 /nfs/dbraw/zinc/47/71/58/574477158.db2.gz XYVPOMLMOOYQFR-UHFFFAOYSA-N -1 0 296.298 2.421 20 5 CEBDRM O=C([O-])CCCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738580123 574481411 /nfs/dbraw/zinc/48/14/11/574481411.db2.gz HYBFIWGFRXFCRG-UHFFFAOYSA-N -1 0 292.247 2.098 20 5 CEBDRM O=C([O-])/C=C\c1ccc(N[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000739624923 574497442 /nfs/dbraw/zinc/49/74/42/574497442.db2.gz NBVRGKGCMHKSTA-QZPNVGJNSA-N -1 0 292.291 2.284 20 5 CEBDRM CC(C)[C@@H](O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736390443 574785940 /nfs/dbraw/zinc/78/59/40/574785940.db2.gz PZVCSRFZMAHMSB-AGLBCWCQSA-N -1 0 294.307 2.121 20 5 CEBDRM C[C@@H](OC(=O)CCCNC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000736691022 574794788 /nfs/dbraw/zinc/79/47/88/574794788.db2.gz UTYHFFZUMITQQH-SECBINFHSA-N -1 0 296.279 2.247 20 5 CEBDRM C[C@@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736798996 574797366 /nfs/dbraw/zinc/79/73/66/574797366.db2.gz LFJMYCXXVNGCQB-SSDOTTSWSA-N -1 0 295.251 2.047 20 5 CEBDRM CC(C)OC(=O)C[C@@H](NC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000738862348 574813860 /nfs/dbraw/zinc/81/38/60/574813860.db2.gz MOXSTOPEQPPXGC-SNVBAGLBSA-N -1 0 296.279 2.245 20 5 CEBDRM CN(CCCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000737434619 574834187 /nfs/dbraw/zinc/83/41/87/574834187.db2.gz OENPRPAEEQENOY-UHFFFAOYSA-N -1 0 296.279 2.028 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000738572994 574868248 /nfs/dbraw/zinc/86/82/48/574868248.db2.gz DDCUJQDCNFMRBU-UHFFFAOYSA-N -1 0 267.237 2.007 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000738663839 574873241 /nfs/dbraw/zinc/87/32/41/574873241.db2.gz AXSOLBIZANQKQU-NSHDSACASA-N -1 0 295.295 2.134 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000738694635 574874445 /nfs/dbraw/zinc/87/44/45/574874445.db2.gz RWOOAJRQBXXJOE-LLVKDONJSA-N -1 0 291.307 2.457 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000738694636 574874455 /nfs/dbraw/zinc/87/44/55/574874455.db2.gz RWOOAJRQBXXJOE-NSHDSACASA-N -1 0 291.307 2.457 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000739585739 574927409 /nfs/dbraw/zinc/92/74/09/574927409.db2.gz DGXADYBNCQRMEP-SNVBAGLBSA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H](NC(=O)[O-])C(C)C ZINC000740100305 574941947 /nfs/dbraw/zinc/94/19/47/574941947.db2.gz VMQVMVJGYNCRAD-SNVBAGLBSA-N -1 0 282.300 2.002 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000740521906 574957956 /nfs/dbraw/zinc/95/79/56/574957956.db2.gz XCMBTVZAUVBGPO-SECBINFHSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])N1CCC(CSc2ccncc2[N+](=O)[O-])CC1 ZINC000740500107 574956672 /nfs/dbraw/zinc/95/66/72/574956672.db2.gz FJAYGOMEEZNDBF-UHFFFAOYSA-N -1 0 297.336 2.472 20 5 CEBDRM Cc1ccnc(NCc2ccc(C(=O)[O-])o2)c1[N+](=O)[O-] ZINC000094554890 600623571 /nfs/dbraw/zinc/62/35/71/600623571.db2.gz ZAIZIUGUPJGNGG-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM O=C([O-])c1cc(-c2nc(CC3CC3)no2)cc([N+](=O)[O-])c1 ZINC000833293976 600701910 /nfs/dbraw/zinc/70/19/10/600701910.db2.gz KEAPSHIHNRKUES-UHFFFAOYSA-N -1 0 289.247 2.296 20 5 CEBDRM C[C@@H](CCO)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417322 600826731 /nfs/dbraw/zinc/82/67/31/600826731.db2.gz DRZRFOCAQPERKT-ATPLWMGHSA-N -1 0 294.307 2.123 20 5 CEBDRM O=C([O-])c1cc(NC(=O)/C=C\C2CC2)cc([N+](=O)[O-])c1 ZINC000833093546 600889624 /nfs/dbraw/zinc/88/96/24/600889624.db2.gz ZWJCYLCTACMEPQ-ARJAWSKDSA-N -1 0 276.248 2.198 20 5 CEBDRM Cc1cc(NCc2ccc(C(=O)[O-])o2)ncc1[N+](=O)[O-] ZINC000094554867 600985897 /nfs/dbraw/zinc/98/58/97/600985897.db2.gz RGDRIAZWAPOJOW-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM COc1ccc(OC/C=C(\C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000214605266 601097812 /nfs/dbraw/zinc/09/78/12/601097812.db2.gz PHALXWGAZDSHKV-VMPITWQZSA-N -1 0 267.237 2.013 20 5 CEBDRM O=C([O-])[C@]1(F)CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000833175955 601379528 /nfs/dbraw/zinc/37/95/28/601379528.db2.gz NQYHYLAGSVKDKC-NSHDSACASA-N -1 0 288.662 2.251 20 5 CEBDRM Cc1cnc(NCCCN(C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000830634560 603207275 /nfs/dbraw/zinc/20/72/75/603207275.db2.gz YXEAFIUWXNAFSC-UHFFFAOYSA-N -1 0 296.327 2.489 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@H]1NC(=O)[O-] ZINC000739196944 603404901 /nfs/dbraw/zinc/40/49/01/603404901.db2.gz WTDPZTUXJBCZRS-LDYMZIIASA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1cnc(N(C)CC(C)(C)CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634022 603580172 /nfs/dbraw/zinc/58/01/72/603580172.db2.gz HOOBXAPNWWBNMJ-UHFFFAOYSA-N -1 0 296.327 2.028 20 5 CEBDRM Cc1c(NC(=O)C(C)(C)CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829877596 603791487 /nfs/dbraw/zinc/79/14/87/603791487.db2.gz OXLSHUZHMGLYCY-UHFFFAOYSA-N -1 0 295.295 2.136 20 5 CEBDRM CN(c1ccccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828442105 603885473 /nfs/dbraw/zinc/88/54/73/603885473.db2.gz ZBHSOEUSCQHYRK-UHFFFAOYSA-N -1 0 279.296 2.173 20 5 CEBDRM Cc1cc(NCCCN(C(=O)[O-])C(C)C)ncc1[N+](=O)[O-] ZINC000830121333 603890118 /nfs/dbraw/zinc/89/01/18/603890118.db2.gz CCYGMYVCGDLYNR-UHFFFAOYSA-N -1 0 296.327 2.489 20 5 CEBDRM CC(=O)c1ccc(N2CCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000825951218 604471487 /nfs/dbraw/zinc/47/14/87/604471487.db2.gz AHXRGSUPQXFIRY-LLVKDONJSA-N -1 0 292.291 2.241 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc([N+](=O)[O-])cc2)O1 ZINC000833578882 604884889 /nfs/dbraw/zinc/88/48/89/604884889.db2.gz LZMZSNWPNJESIM-NSHDSACASA-N -1 0 279.248 2.121 20 5 CEBDRM CC(C)OC(=O)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833502950 605169074 /nfs/dbraw/zinc/16/90/74/605169074.db2.gz TZQQCDZGWSQSDG-UHFFFAOYSA-N -1 0 296.279 2.047 20 5 CEBDRM O=C([O-])NC1(CNc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000834154641 605362330 /nfs/dbraw/zinc/36/23/30/605362330.db2.gz FEQODVHHMPEALY-UHFFFAOYSA-N -1 0 283.259 2.336 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])s1 ZINC000825846005 605482594 /nfs/dbraw/zinc/48/25/94/605482594.db2.gz RUCZZICYCNMASH-JGVFFNPUSA-N -1 0 285.325 2.281 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000833818959 605498697 /nfs/dbraw/zinc/49/86/97/605498697.db2.gz RGJNJHVMRVEATR-BDAKNGLRSA-N -1 0 297.286 2.216 20 5 CEBDRM C[C@@H](CCNc1sccc1[N+](=O)[O-])NC(=O)[O-] ZINC000833806476 605991175 /nfs/dbraw/zinc/99/11/75/605991175.db2.gz XGDAZGWAESBAMQ-LURJTMIESA-N -1 0 259.287 2.114 20 5 CEBDRM CC[C@H](CNc1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000234024762 622764795 /nfs/dbraw/zinc/76/47/95/622764795.db2.gz QUFPFOKEGHDRNC-SECBINFHSA-N -1 0 252.270 2.426 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000119551502 627945229 /nfs/dbraw/zinc/94/52/29/627945229.db2.gz LMENBTRSSWTDDK-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM Cc1ccc(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000312569749 628311854 /nfs/dbraw/zinc/31/18/54/628311854.db2.gz SEVUWKFERIBMBY-QWRGUYRKSA-N -1 0 278.308 2.450 20 5 CEBDRM CC1(C)CC[C@H](COC(=O)c2ccc([N+](=O)[O-])[n-]2)O1 ZINC000792028086 629471299 /nfs/dbraw/zinc/47/12/99/629471299.db2.gz AZIGSLDZJUOSMS-MRVPVSSYSA-N -1 0 268.269 2.037 20 5 CEBDRM C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@]1(F)Cl ZINC000821865223 634814371 /nfs/dbraw/zinc/81/43/71/634814371.db2.gz IYRRPZYTSPZIRX-NXEZZACHSA-N -1 0 276.651 2.394 20 5 CEBDRM C/C(=C\CNc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000906150681 636626597 /nfs/dbraw/zinc/62/65/97/636626597.db2.gz OBTHKHBAVSVKPN-WEVVVXLNSA-N -1 0 250.254 2.346 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000834659988 637909346 /nfs/dbraw/zinc/90/93/46/637909346.db2.gz HRXWJUPZXIPRBO-IUCAKERBSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(N2C[C@@H](C)OC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910343858 638008885 /nfs/dbraw/zinc/00/88/85/638008885.db2.gz NYLJBZMFPYAETA-VHSXEESVSA-N -1 0 294.307 2.215 20 5 CEBDRM COCCC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000837590137 639296960 /nfs/dbraw/zinc/29/69/60/639296960.db2.gz WWCOTEFJHQLPCP-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000837617051 639309541 /nfs/dbraw/zinc/30/95/41/639309541.db2.gz UXYBNBUOENFOKN-NXEZZACHSA-N -1 0 295.291 2.159 20 5 CEBDRM O=C([O-])[C@@H]1CCCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000228890987 639663604 /nfs/dbraw/zinc/66/36/04/639663604.db2.gz VCPFHXPRBXGJDN-SSDOTTSWSA-N -1 0 286.234 2.174 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000841494436 639777392 /nfs/dbraw/zinc/77/73/92/639777392.db2.gz CEMQBZMIANDJGJ-CQSZACIVSA-N -1 0 294.307 2.042 20 5 CEBDRM C[C@@H]1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000844206904 640632087 /nfs/dbraw/zinc/63/20/87/640632087.db2.gz OHMXHTNQZZJTST-FYGOAMBHSA-N -1 0 292.291 2.282 20 5 CEBDRM CC(C)(O)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844208703 640633058 /nfs/dbraw/zinc/63/30/58/640633058.db2.gz GCTLSTYXTGJMKZ-XQRVVYSFSA-N -1 0 294.307 2.266 20 5 CEBDRM CC[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844215987 640635156 /nfs/dbraw/zinc/63/51/56/640635156.db2.gz VYEHSGRQCFOXHP-JTQLQIEISA-N -1 0 278.308 2.458 20 5 CEBDRM CC(=O)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000846938415 641491000 /nfs/dbraw/zinc/49/10/00/641491000.db2.gz JIIQGQIHTXBJKC-UHFFFAOYSA-N -1 0 278.308 2.101 20 5 CEBDRM O=C([O-])Cc1ccc(N2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000851705540 643117042 /nfs/dbraw/zinc/11/70/42/643117042.db2.gz QBSZIUFNJFMFTK-GHMZBOCLSA-N -1 0 276.292 2.068 20 5 CEBDRM CCOc1cccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000761444161 645285538 /nfs/dbraw/zinc/28/55/38/645285538.db2.gz WMNLWKOALCGVAU-UHFFFAOYSA-N -1 0 291.263 2.074 20 5 CEBDRM C[C@@H](C(=O)[N-]O[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680713 645308224 /nfs/dbraw/zinc/30/82/24/645308224.db2.gz VAFUOIJQMISGTA-MFKMUULPSA-N -1 0 294.307 2.273 20 5 CEBDRM O=C(OCCSC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000770940926 646455928 /nfs/dbraw/zinc/45/59/28/646455928.db2.gz AEDBXNXXCGWTDV-UHFFFAOYSA-N -1 0 284.215 2.333 20 5 CEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]Oc1ccccc1 ZINC000773465654 646743096 /nfs/dbraw/zinc/74/30/96/646743096.db2.gz HUCRCCIAEFPNHW-UHFFFAOYSA-N -1 0 272.260 2.248 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ncc(Cl)n1C ZINC000773879541 646783835 /nfs/dbraw/zinc/78/38/35/646783835.db2.gz PBBACUBAZVJTES-ZCFIWIBFSA-N -1 0 298.686 2.228 20 5 CEBDRM CC[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000779302956 647309110 /nfs/dbraw/zinc/30/91/10/647309110.db2.gz MWHQYCRSKVYLMM-DTWKUNHWSA-N -1 0 268.269 2.037 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](CF)C1 ZINC000881599087 651815620 /nfs/dbraw/zinc/81/56/20/651815620.db2.gz WRBFLWWUGNTOSV-VIFPVBQESA-N -1 0 282.271 2.122 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC000694875206 803592589 /nfs/dbraw/zinc/59/25/89/803592589.db2.gz NTKBCLFFAILSII-SECBINFHSA-N -1 0 278.264 2.189 20 5 CEBDRM COc1cc(N[C@@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000694876854 803593144 /nfs/dbraw/zinc/59/31/44/803593144.db2.gz VJMWNQRINYJDTQ-SECBINFHSA-N -1 0 278.264 2.189 20 5 CEBDRM COc1cccc(N[C@H]2CC=C(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000702125402 809507045 /nfs/dbraw/zinc/50/70/45/809507045.db2.gz JRIVVLWTPCIPAO-VIFPVBQESA-N -1 0 278.264 2.189 20 5 CEBDRM CC1(C)C[C@@]1(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000702366938 809543707 /nfs/dbraw/zinc/54/37/07/809543707.db2.gz QMHQIMGCEKXCFQ-AWEZNQCLSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H](Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)c1cnccn1 ZINC001169537906 811559312 /nfs/dbraw/zinc/55/93/12/811559312.db2.gz NPXHUFVVKRFYNL-QMMMGPOBSA-N -1 0 288.263 2.256 20 5 CEBDRM Cc1ccc(N[C@@H](C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000133436726 813084732 /nfs/dbraw/zinc/08/47/32/813084732.db2.gz ZDMLYRDNLRQTEV-BDAKNGLRSA-N -1 0 252.270 2.424 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccc(Cl)nn2)cc1[N+](=O)[O-] ZINC001174502318 816029446 /nfs/dbraw/zinc/02/94/46/816029446.db2.gz KPMJEYIFRABJQV-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM Cc1nn(C)c(C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503207 816029942 /nfs/dbraw/zinc/02/99/42/816029942.db2.gz YKFSKCIBRJQPSX-UHFFFAOYSA-N -1 0 290.279 2.387 20 5 CEBDRM Cn1ncc(Cl)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503269 816030137 /nfs/dbraw/zinc/03/01/37/816030137.db2.gz ICVBVVKLYVYBAL-UHFFFAOYSA-N -1 0 296.670 2.424 20 5 CEBDRM Cc1ccnnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503855 816030312 /nfs/dbraw/zinc/03/03/12/816030312.db2.gz ZRHUSNWCDMAGAD-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM O=C([O-])c1cc(Nc2ccnnc2Cl)cc([N+](=O)[O-])c1 ZINC001176672643 816452253 /nfs/dbraw/zinc/45/22/53/816452253.db2.gz LWECEGZRTFAXNB-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000041031410 362014550 /nfs/dbraw/zinc/01/45/50/362014550.db2.gz YKDXMSUBHHPLSQ-JTQLQIEISA-N -1 0 294.307 2.229 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000041031408 362014794 /nfs/dbraw/zinc/01/47/94/362014794.db2.gz QNGLAIGAEVQTDO-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM C[C@@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cn3)c(=O)c2C1 ZINC000601931457 346929276 /nfs/dbraw/zinc/92/92/76/346929276.db2.gz FKAXGAFVSMEICN-SCZZXKLOSA-N -1 0 274.280 2.129 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c(C2CC2)cc1=O ZINC000601941989 346935347 /nfs/dbraw/zinc/93/53/47/346935347.db2.gz GCMMJCFTNYNHNR-UHFFFAOYSA-N -1 0 259.265 2.406 20 5 CEBDRM Cc1cc(N[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000047959014 362236113 /nfs/dbraw/zinc/23/61/13/362236113.db2.gz BRGZELDVCKFMTP-LLVKDONJSA-N -1 0 252.270 2.424 20 5 CEBDRM O=C([O-])c1cc(N2CCCSCC2)ccc1[N+](=O)[O-] ZINC000044383146 343470887 /nfs/dbraw/zinc/47/08/87/343470887.db2.gz JSFRKIOOWPWNFJ-UHFFFAOYSA-N -1 0 282.321 2.236 20 5 CEBDRM CC(C)N(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000044422040 343471595 /nfs/dbraw/zinc/47/15/95/343471595.db2.gz UTRSUIPXZBALEI-UHFFFAOYSA-N -1 0 299.258 2.061 20 5 CEBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427300 344188514 /nfs/dbraw/zinc/18/85/14/344188514.db2.gz HFMPLDRPGJELHF-ZDUSSCGKSA-N -1 0 280.324 2.301 20 5 CEBDRM COc1cc(N2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044838 344270306 /nfs/dbraw/zinc/27/03/06/344270306.db2.gz BCMPLFRVXUXOAB-VIFPVBQESA-N -1 0 280.280 2.047 20 5 CEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000119371022 344294778 /nfs/dbraw/zinc/29/47/78/344294778.db2.gz OQFDMXDLHBMMMJ-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000152511015 344425831 /nfs/dbraw/zinc/42/58/31/344425831.db2.gz LTWKTTZNJGLRQS-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C([O-])C1(CNc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000138559965 344390322 /nfs/dbraw/zinc/39/03/22/344390322.db2.gz OPLTYSSJQWHKNF-UHFFFAOYSA-N -1 0 268.244 2.401 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000158631169 344452140 /nfs/dbraw/zinc/45/21/40/344452140.db2.gz NKIMYUGUHBJBCO-UWVGGRQHSA-N -1 0 264.281 2.203 20 5 CEBDRM C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000235133899 344589659 /nfs/dbraw/zinc/58/96/59/344589659.db2.gz JKPVEPARIDXWDT-YFKPBYRVSA-N -1 0 260.196 2.006 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000300439537 344700089 /nfs/dbraw/zinc/70/00/89/344700089.db2.gz IEXQOECHYHOMQN-LOKDSWTASA-N -1 0 294.307 2.298 20 5 CEBDRM Cc1cccc(N2CC[C@H](C(=O)[O-])[C@H]2C)c1[N+](=O)[O-] ZINC000300482356 344700180 /nfs/dbraw/zinc/70/01/80/344700180.db2.gz CYIVOECTSGZREI-ZJUUUORDSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](C3CC3)C2)n1 ZINC000592976175 345417842 /nfs/dbraw/zinc/41/78/42/345417842.db2.gz YXWGZTAJEMZHHH-JTQLQIEISA-N -1 0 291.307 2.314 20 5 CEBDRM CC(C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592749724 345392999 /nfs/dbraw/zinc/39/29/99/345392999.db2.gz MUWVSASCFAVGOR-UHFFFAOYSA-N -1 0 272.688 2.434 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000593886893 345548289 /nfs/dbraw/zinc/54/82/89/345548289.db2.gz YQBYGPRSCDAXOA-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593886377 345548474 /nfs/dbraw/zinc/54/84/74/345548474.db2.gz KSWIOHNJUPPNLB-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM CC1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC=CC1 ZINC000594382904 345619170 /nfs/dbraw/zinc/61/91/70/345619170.db2.gz SMMHKVUICCICSU-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC000594546687 345645906 /nfs/dbraw/zinc/64/59/06/345645906.db2.gz UUCHSAMVLSPZJX-ZCFIWIBFSA-N -1 0 290.222 2.329 20 5 CEBDRM CC(C)(C)OCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594737226 345682641 /nfs/dbraw/zinc/68/26/41/345682641.db2.gz ZOUOUKCIMUWGML-UHFFFAOYSA-N -1 0 297.311 2.305 20 5 CEBDRM CC[C@@H](C)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595245601 345747237 /nfs/dbraw/zinc/74/72/37/345747237.db2.gz XJZKNPILAYKKRC-SECBINFHSA-N -1 0 294.307 2.459 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598549815 346373324 /nfs/dbraw/zinc/37/33/24/346373324.db2.gz DVZZCYYVEIKMCP-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)c1n[n-]c(=NCCNc2ccccc2[N+](=O)[O-])o1 ZINC000450227305 282517222 /nfs/dbraw/zinc/51/72/22/282517222.db2.gz PMUITCQXBUYLSZ-UHFFFAOYSA-N -1 0 291.311 2.047 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610887870 347720908 /nfs/dbraw/zinc/72/09/08/347720908.db2.gz QZQKYCVGMHRURG-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000611559339 347794704 /nfs/dbraw/zinc/79/47/04/347794704.db2.gz JWUXOSYQTCYXPT-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000339350828 215113174 /nfs/dbraw/zinc/11/31/74/215113174.db2.gz GFJAORUVRXFTKC-SECBINFHSA-N -1 0 287.275 2.438 20 5 CEBDRM CC[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000087509660 179436847 /nfs/dbraw/zinc/43/68/47/179436847.db2.gz XHYKBRROUQVOAR-SSDOTTSWSA-N -1 0 256.233 2.257 20 5 CEBDRM CC(C)OCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000273470218 192163467 /nfs/dbraw/zinc/16/34/67/192163467.db2.gz JNZQZBBLTPTGFF-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(CCC(F)F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000619442538 349182375 /nfs/dbraw/zinc/18/23/75/349182375.db2.gz UIRCWYMCUZNKHU-UHFFFAOYSA-N -1 0 260.196 2.284 20 5 CEBDRM Cc1ccnc(S[C@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000090098768 179914389 /nfs/dbraw/zinc/91/43/89/179914389.db2.gz IOHOLTDDJIYMPM-SSDOTTSWSA-N -1 0 256.283 2.254 20 5 CEBDRM Cc1cnc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c([O-])c1 ZINC000352190986 219353648 /nfs/dbraw/zinc/35/36/48/219353648.db2.gz RFHBBPQSWBZBSI-UHFFFAOYSA-N -1 0 291.238 2.395 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@@H]1C(F)F ZINC000338181519 366223681 /nfs/dbraw/zinc/22/36/81/366223681.db2.gz UIEUQQUXFVNORS-BQBZGAKWSA-N -1 0 272.207 2.140 20 5 CEBDRM COC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000569930614 299227374 /nfs/dbraw/zinc/22/73/74/299227374.db2.gz JHGZKXPWOUEROI-JTQLQIEISA-N -1 0 294.307 2.074 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151123279 366621926 /nfs/dbraw/zinc/62/19/26/366621926.db2.gz HQAQJGPKZMZFLT-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000084143010 363799712 /nfs/dbraw/zinc/79/97/12/363799712.db2.gz IBEHKRNKZAZAQI-UHFFFAOYSA-N -1 0 298.320 2.174 20 5 CEBDRM CC(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000087489312 363857418 /nfs/dbraw/zinc/85/74/18/363857418.db2.gz CSIPVNKPXGTJDN-NSHDSACASA-N -1 0 295.295 2.073 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356607120 370771981 /nfs/dbraw/zinc/77/19/81/370771981.db2.gz ZNNHGKXNXVZELD-SECBINFHSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@H](Sc1nccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000097824347 364520223 /nfs/dbraw/zinc/52/02/23/364520223.db2.gz WRNMNZUVIGEPBQ-ZETCQYMHSA-N -1 0 256.283 2.254 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCS1 ZINC000159445167 366912930 /nfs/dbraw/zinc/91/29/30/366912930.db2.gz FQMUQHSGVLVSKM-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM CCC(C)(C)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583146154 367007720 /nfs/dbraw/zinc/00/77/20/367007720.db2.gz MTINCUAWWRBWDQ-UHFFFAOYSA-N -1 0 281.312 2.266 20 5 CEBDRM O=C(/C=C/c1cccc([N+](=O)[O-])c1)NO[C@@H]1CCCCO1 ZINC000162296082 367149657 /nfs/dbraw/zinc/14/96/57/367149657.db2.gz RLHAGJQVWUBQAA-HSBSLETESA-N -1 0 292.291 2.182 20 5 CEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])NO[C@H]1CCCCO1 ZINC000162296668 367150126 /nfs/dbraw/zinc/15/01/26/367150126.db2.gz AIEDOJPTZNKGSL-VFNNOXKTSA-N -1 0 292.291 2.182 20 5 CEBDRM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])nc1 ZINC000341161434 367202178 /nfs/dbraw/zinc/20/21/78/367202178.db2.gz AGIWUJMYRMEFIS-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCOC2CCCC2)n1 ZINC000166770175 367328719 /nfs/dbraw/zinc/32/87/19/367328719.db2.gz ZMUAEGWTSJUYTE-UHFFFAOYSA-N -1 0 295.295 2.059 20 5 CEBDRM C[C@@H]1CCC[C@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166761350 367328885 /nfs/dbraw/zinc/32/88/85/367328885.db2.gz RQRAJNNIHNOEES-HTQZYQBOSA-N -1 0 265.269 2.289 20 5 CEBDRM CC1(C)C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166115592 367318267 /nfs/dbraw/zinc/31/82/67/367318267.db2.gz UBXLBICXIQUIFH-QMMMGPOBSA-N -1 0 250.254 2.285 20 5 CEBDRM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343880973 368055861 /nfs/dbraw/zinc/05/58/61/368055861.db2.gz RXEXYRUCLIXCEB-GWCFXTLKSA-N -1 0 294.307 2.444 20 5 CEBDRM CC(C)OCCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000180935207 368404907 /nfs/dbraw/zinc/40/49/07/368404907.db2.gz DOLXDJVROWKJQD-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(Cc1ccc(O)cc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182086945 368524114 /nfs/dbraw/zinc/52/41/14/368524114.db2.gz DSLMGKNXNFBYKF-UHFFFAOYSA-N -1 0 288.259 2.187 20 5 CEBDRM CCc1onc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182165231 368530363 /nfs/dbraw/zinc/53/03/63/368530363.db2.gz CWUKJTQTSIRLGB-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000349986185 369476347 /nfs/dbraw/zinc/47/63/47/369476347.db2.gz IIFFOBRAAKZXQK-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350822837 369575524 /nfs/dbraw/zinc/57/55/24/369575524.db2.gz IBLLRRMEFSUFFU-UHFFFAOYSA-N -1 0 290.210 2.485 20 5 CEBDRM CN(CC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225801324 370319879 /nfs/dbraw/zinc/31/98/79/370319879.db2.gz MSAFZULSIICDQO-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CC(C)=CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000229159759 370420565 /nfs/dbraw/zinc/42/05/65/370420565.db2.gz UEIVCVGNSPEUPC-UHFFFAOYSA-N -1 0 251.242 2.066 20 5 CEBDRM CCN(CC(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233456083 370519520 /nfs/dbraw/zinc/51/95/20/370519520.db2.gz YLYCQQUOGKLNES-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561518 370591956 /nfs/dbraw/zinc/59/19/56/370591956.db2.gz IXLWXGXCKLVFFR-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000235869328 370579311 /nfs/dbraw/zinc/57/93/11/370579311.db2.gz STMMXPOOXBFGLM-ZJUUUORDSA-N -1 0 292.291 2.343 20 5 CEBDRM CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000232704327 189817386 /nfs/dbraw/zinc/81/73/86/189817386.db2.gz LDHMMRKATNOOIZ-MRVPVSSYSA-N -1 0 273.676 2.164 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365775284 372930238 /nfs/dbraw/zinc/93/02/38/372930238.db2.gz WHANDJBMWWSFGC-BXKDBHETSA-N -1 0 276.292 2.315 20 5 CEBDRM CC(C)C1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000379709874 375156756 /nfs/dbraw/zinc/15/67/56/375156756.db2.gz BPOLMWQUAIMYJW-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280750197 375307099 /nfs/dbraw/zinc/30/70/99/375307099.db2.gz KXKIFAIYUWHHSA-QMMMGPOBSA-N -1 0 252.270 2.075 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408160627 375420084 /nfs/dbraw/zinc/42/00/84/375420084.db2.gz WMEDYGUDVGOTDJ-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000408410022 375474750 /nfs/dbraw/zinc/47/47/50/375474750.db2.gz IEQAZLYCYMGAIF-JOYOIKCWSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000263461343 304192624 /nfs/dbraw/zinc/19/26/24/304192624.db2.gz BTEKVJOPFGVBOB-JTQLQIEISA-N -1 0 287.275 2.054 20 5 CEBDRM C[C@H]1COC(C)(C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330464517 377147518 /nfs/dbraw/zinc/14/75/18/377147518.db2.gz UZJNLTVCGJWMLD-JTQLQIEISA-N -1 0 280.324 2.300 20 5 CEBDRM O=C(Nc1nccs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427903369 377465335 /nfs/dbraw/zinc/46/53/35/377465335.db2.gz KKGCJBVGMXEMQV-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM CC(=O)C1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000293364953 377537490 /nfs/dbraw/zinc/53/74/90/377537490.db2.gz CXVZHFUTMMVLGN-UHFFFAOYSA-N -1 0 298.682 2.262 20 5 CEBDRM COCCCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000519540990 379432873 /nfs/dbraw/zinc/43/28/73/379432873.db2.gz KNZCOGBJFYARHU-UHFFFAOYSA-N -1 0 296.323 2.464 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(S[C@@H]2CCOC2)c1 ZINC000362604838 304251127 /nfs/dbraw/zinc/25/11/27/304251127.db2.gz XKGNUWBSSOLLIM-MRVPVSSYSA-N -1 0 269.278 2.174 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575751700 299568101 /nfs/dbraw/zinc/56/81/01/299568101.db2.gz JFKFJTRJRKMAJM-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000080987964 177745719 /nfs/dbraw/zinc/74/57/19/177745719.db2.gz CNGMBSQJVFBLGQ-MRVPVSSYSA-N -1 0 298.320 2.126 20 5 CEBDRM CC(C)C[C@@H](CNc1ccncc1[N+](=O)[O-])C(=O)[O-] ZINC000094703304 184843969 /nfs/dbraw/zinc/84/39/69/184843969.db2.gz RDDCCBRNUOSKIU-VIFPVBQESA-N -1 0 267.285 2.149 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191597953 130260001 /nfs/dbraw/zinc/26/00/01/130260001.db2.gz SJYCDNJGECZPKH-SECBINFHSA-N -1 0 294.307 2.457 20 5 CEBDRM Cc1cnc(N2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000090691666 135063986 /nfs/dbraw/zinc/06/39/86/135063986.db2.gz NKLKHWPUYKJCLC-JTQLQIEISA-N -1 0 279.296 2.132 20 5 CEBDRM CCO[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211462377 394448373 /nfs/dbraw/zinc/44/83/73/394448373.db2.gz NZMXPMBRFGFQOB-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@@H]1SCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000269275538 394716684 /nfs/dbraw/zinc/71/66/84/394716684.db2.gz IJERQCBXSDGJJJ-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436738935 395150765 /nfs/dbraw/zinc/15/07/65/395150765.db2.gz MVSUMDYORKWCOF-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CC(C)CSCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436900833 395161300 /nfs/dbraw/zinc/16/13/00/395161300.db2.gz PFAPTJAMIPRAHI-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cncs1 ZINC000436917374 395163987 /nfs/dbraw/zinc/16/39/87/395163987.db2.gz DLMWXWPOJRNQNQ-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436919498 395164040 /nfs/dbraw/zinc/16/40/40/395164040.db2.gz OAPOTCJUUSPEDK-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000566276422 395509336 /nfs/dbraw/zinc/50/93/36/395509336.db2.gz LUKPYBHIYXFRKI-BDAKNGLRSA-N -1 0 282.271 2.311 20 5 CEBDRM CC(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574279154 395627233 /nfs/dbraw/zinc/62/72/33/395627233.db2.gz DQYAHIATYRYMMM-UHFFFAOYSA-N -1 0 272.688 2.340 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316110 153296441 /nfs/dbraw/zinc/29/64/41/153296441.db2.gz YNCBUPKKUXCVGS-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM O=C([O-])c1coc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000228171161 153357266 /nfs/dbraw/zinc/35/72/66/153357266.db2.gz QIRDHYJPEMHSHS-UHFFFAOYSA-N -1 0 276.248 2.176 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000230688139 153398939 /nfs/dbraw/zinc/39/89/39/153398939.db2.gz TZLDFCZIVJLNFU-KOLCDFICSA-N -1 0 278.308 2.466 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NCC3CCC3)[n-]2)cc1 ZINC000362741724 155935722 /nfs/dbraw/zinc/93/57/22/155935722.db2.gz OMEVSYNTGCEGRQ-UHFFFAOYSA-N -1 0 274.280 2.279 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164454447 162335570 /nfs/dbraw/zinc/33/55/70/162335570.db2.gz CIQICCXAMOOUEA-QMMMGPOBSA-N -1 0 252.270 2.171 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000043512011 175060641 /nfs/dbraw/zinc/06/06/41/175060641.db2.gz HRCGEAGBOVYIHB-SECBINFHSA-N -1 0 295.295 2.088 20 5 CEBDRM O=C([O-])C1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000071173470 176053052 /nfs/dbraw/zinc/05/30/52/176053052.db2.gz ZUYADAGCCSTLOS-UHFFFAOYSA-N -1 0 290.197 2.134 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078880360 177399903 /nfs/dbraw/zinc/39/99/03/177399903.db2.gz KHBPXNFEARREIV-UHFFFAOYSA-N -1 0 280.280 2.343 20 5 CEBDRM O=C([O-])c1ccnc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000079703958 177539698 /nfs/dbraw/zinc/53/96/98/177539698.db2.gz CMSBEWXQEMFTFL-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM Cc1cccnc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356058255 228103947 /nfs/dbraw/zinc/10/39/47/228103947.db2.gz KOZQSGYRTHOXAZ-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(C)COCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184607952 262288304 /nfs/dbraw/zinc/28/83/04/262288304.db2.gz QYTKMMBJJCKLDE-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235718809 270315537 /nfs/dbraw/zinc/31/55/37/270315537.db2.gz SWVRDYIZXJZJDT-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000421918321 270684954 /nfs/dbraw/zinc/68/49/54/270684954.db2.gz PFPWJMFLKCMYOV-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(=O)c1ccc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000261888236 278246723 /nfs/dbraw/zinc/24/67/23/278246723.db2.gz BPWBLDZWYAUCKB-UHFFFAOYSA-N -1 0 292.291 2.098 20 5 CEBDRM CC1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000155288850 281087257 /nfs/dbraw/zinc/08/72/57/281087257.db2.gz VGDBVCQQDDEELD-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151473507 289059161 /nfs/dbraw/zinc/05/91/61/289059161.db2.gz OMVVJJQLRZUBEF-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000457338288 289761524 /nfs/dbraw/zinc/76/15/24/289761524.db2.gz FFXXLCHONQQGSF-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCO1 ZINC000457685362 289810907 /nfs/dbraw/zinc/81/09/07/289810907.db2.gz ZUMDRFNKHLFRIK-ZDUSSCGKSA-N -1 0 280.280 2.198 20 5 CEBDRM CC1(CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486961129 290323693 /nfs/dbraw/zinc/32/36/93/290323693.db2.gz VHKTUVMNAGOSKU-UHFFFAOYSA-N -1 0 274.280 2.279 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000408412573 297234812 /nfs/dbraw/zinc/23/48/12/297234812.db2.gz CBRVKYCZONLUOS-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000365617651 304524667 /nfs/dbraw/zinc/52/46/67/304524667.db2.gz CCQBMCUDGNXHHI-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM Cc1cc(NC[C@H](C)CCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522060727 297654221 /nfs/dbraw/zinc/65/42/21/297654221.db2.gz POACIZTXHMRKBH-MRVPVSSYSA-N -1 0 282.296 2.032 20 5 CEBDRM Cc1c(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cccc1[N+](=O)[O-] ZINC000085408012 300979058 /nfs/dbraw/zinc/97/90/58/300979058.db2.gz INKQJXSSGONOTI-WDEREUQCSA-N -1 0 292.291 2.199 20 5 CEBDRM O=C(Nc1ccc(F)cc1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000532012663 313337245 /nfs/dbraw/zinc/33/72/45/313337245.db2.gz HKDPRMAGKJEQAP-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565040844 313792513 /nfs/dbraw/zinc/79/25/13/313792513.db2.gz LFJWJNGVTFPDOA-JGVFFNPUSA-N -1 0 268.269 2.128 20 5 CEBDRM Cc1cc(NC[C@]2(C)CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570634900 314050347 /nfs/dbraw/zinc/05/03/47/314050347.db2.gz NXXLTUNQNWXEGM-AWEZNQCLSA-N -1 0 294.307 2.440 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000573004217 314135048 /nfs/dbraw/zinc/13/50/48/314135048.db2.gz SPZGTFRYVWHXJV-SNVBAGLBSA-N -1 0 279.296 2.050 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C)C2)n1 ZINC000577182507 314349958 /nfs/dbraw/zinc/34/99/58/314349958.db2.gz NFLWSIYPVGVAEU-DTORHVGOSA-N -1 0 293.323 2.479 20 5 CEBDRM O=C([O-])Cc1ccc(NCCOCC2CC2)c([N+](=O)[O-])c1 ZINC000578134764 314448574 /nfs/dbraw/zinc/44/85/74/314448574.db2.gz CUYQHQCJMUBEIV-UHFFFAOYSA-N -1 0 294.307 2.060 20 5 CEBDRM Cc1cc(NC[C@@H]2CCC[C@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578134879 314448781 /nfs/dbraw/zinc/44/87/81/314448781.db2.gz IOQCPCARMUIZMD-JOYOIKCWSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1cc(NC[C@@H](C)C[C@@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578195520 314455204 /nfs/dbraw/zinc/45/52/04/314455204.db2.gz ATSOVLVUAAKTEO-WCBMZHEXSA-N -1 0 296.323 2.420 20 5 CEBDRM CC[C@@H]1CC[C@@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000380555733 321830636 /nfs/dbraw/zinc/83/06/36/321830636.db2.gz YKNJOXGKARHKGP-RKDXNWHRSA-N -1 0 279.296 2.455 20 5 CEBDRM Cc1cc(NC[C@H](CO)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582549320 322482383 /nfs/dbraw/zinc/48/23/83/322482383.db2.gz WFQJNCRHUFBMKR-SNVBAGLBSA-N -1 0 294.307 2.032 20 5 CEBDRM CCCCO[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183918926 520820694 /nfs/dbraw/zinc/82/06/94/520820694.db2.gz UCLKCJBHBLZVDC-VIFPVBQESA-N -1 0 282.296 2.444 20 5 CEBDRM O=Cc1ccc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)cc1 ZINC000874972019 649877531 /nfs/dbraw/zinc/87/75/31/649877531.db2.gz JAQBTNZBGOFMSJ-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM O=Cc1cccc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)c1 ZINC000874972774 649878140 /nfs/dbraw/zinc/87/81/40/649878140.db2.gz MLRSNOGKFXNMPZ-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM O=Cc1ccc(-c2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1F ZINC000874973014 649878193 /nfs/dbraw/zinc/87/81/93/649878193.db2.gz BZCZOOIUQDYVSL-UHFFFAOYSA-N -1 0 290.206 2.307 20 5 CEBDRM O=C([O-])c1coc(C(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000740256712 574449407 /nfs/dbraw/zinc/44/94/07/574449407.db2.gz AHAMKGFZWUEQPC-UHFFFAOYSA-N -1 0 291.215 2.148 20 5 CEBDRM C[C@H](OC(=O)CCCNC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000736691024 574794778 /nfs/dbraw/zinc/79/47/78/574794778.db2.gz UTYHFFZUMITQQH-VIFPVBQESA-N -1 0 296.279 2.247 20 5 CEBDRM CCCc1noc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000737046796 574803955 /nfs/dbraw/zinc/80/39/55/574803955.db2.gz JTYURLPGVCRBMX-UHFFFAOYSA-N -1 0 277.236 2.296 20 5 CEBDRM C[C@@H](OC(=O)CSCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000739040381 574891080 /nfs/dbraw/zinc/89/10/80/574891080.db2.gz CIXXNULPSVOART-MRVPVSSYSA-N -1 0 299.304 2.017 20 5 CEBDRM CN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1)C(=O)[O-] ZINC000739662848 574930347 /nfs/dbraw/zinc/93/03/47/574930347.db2.gz FLAQNCZOGXUWSA-QMMMGPOBSA-N -1 0 285.325 2.092 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H](NC(=O)[O-])C(C)C ZINC000740100304 574942040 /nfs/dbraw/zinc/94/20/40/574942040.db2.gz VMQVMVJGYNCRAD-JTQLQIEISA-N -1 0 282.300 2.002 20 5 CEBDRM Cc1nccc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000217319688 600813378 /nfs/dbraw/zinc/81/33/78/600813378.db2.gz HKJHPZILJPIRSN-UHFFFAOYSA-N -1 0 275.220 2.184 20 5 CEBDRM C/C(=C\COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000825758953 601407262 /nfs/dbraw/zinc/40/72/62/601407262.db2.gz STLSWILGWUWIFQ-WIXOJMCHSA-N -1 0 291.259 2.182 20 5 CEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000832521201 603200496 /nfs/dbraw/zinc/20/04/96/603200496.db2.gz LNRDGLCIUVKRMG-ZJUUUORDSA-N -1 0 294.311 2.228 20 5 CEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])nc1)NC(=O)[O-] ZINC000826566361 603523537 /nfs/dbraw/zinc/52/35/37/603523537.db2.gz GWLZTSGZORPERH-UHFFFAOYSA-N -1 0 282.300 2.228 20 5 CEBDRM C[C@H](CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824721400 603978287 /nfs/dbraw/zinc/97/82/87/603978287.db2.gz SHGBTUHZQRNUHC-BDAKNGLRSA-N -1 0 296.279 2.245 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)[O-])C1 ZINC000825638027 604035793 /nfs/dbraw/zinc/03/57/93/604035793.db2.gz JCONEZHBSUBVIQ-WDEREUQCSA-N -1 0 293.323 2.388 20 5 CEBDRM CC[C@H](OC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(=O)[O-] ZINC000833646143 605017810 /nfs/dbraw/zinc/01/78/10/605017810.db2.gz ONYHRAORLHQIEB-JTQLQIEISA-N -1 0 292.247 2.096 20 5 CEBDRM CC(C)(C)OCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833445587 605294292 /nfs/dbraw/zinc/29/42/92/605294292.db2.gz CVYXSUQTRRVZRJ-UHFFFAOYSA-N -1 0 296.279 2.047 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000833814953 605494375 /nfs/dbraw/zinc/49/43/75/605494375.db2.gz DTYKXDQNWQAPRI-VHSXEESVSA-N -1 0 279.296 2.077 20 5 CEBDRM O=C([O-])N1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000834112727 605962536 /nfs/dbraw/zinc/96/25/36/605962536.db2.gz ICOZANDKLBZPEA-UHFFFAOYSA-N -1 0 299.714 2.044 20 5 CEBDRM C[C@H](CN(C)c1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000235484876 625607315 /nfs/dbraw/zinc/60/73/15/625607315.db2.gz ZVLHEFNEZPXFQV-ZCFIWIBFSA-N -1 0 274.223 2.030 20 5 CEBDRM CC[C@H](CNc1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000158627805 624578603 /nfs/dbraw/zinc/57/86/03/624578603.db2.gz NSBDYXQBWPWLJC-SECBINFHSA-N -1 0 252.270 2.426 20 5 CEBDRM Cc1cccc(NCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000235781661 625743518 /nfs/dbraw/zinc/74/35/18/625743518.db2.gz WBWMGZVFRDRUNF-UHFFFAOYSA-N -1 0 252.270 2.426 20 5 CEBDRM Cc1c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000235833139 625765755 /nfs/dbraw/zinc/76/57/55/625765755.db2.gz UVUZXCHWSMBMQG-ZJUUUORDSA-N -1 0 292.291 2.343 20 5 CEBDRM CN(CC(=O)[O-])c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310869050 627309997 /nfs/dbraw/zinc/30/99/97/627309997.db2.gz QPMCLYAPTMNDRB-UHFFFAOYSA-N -1 0 260.196 2.053 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1F ZINC000807222871 631821357 /nfs/dbraw/zinc/82/13/57/631821357.db2.gz VNCAPBSAWXPGEM-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000808008162 631906125 /nfs/dbraw/zinc/90/61/25/631906125.db2.gz QUVBKSJUVXYYKA-UWVGGRQHSA-N -1 0 293.323 2.208 20 5 CEBDRM C[C@H](C(=O)[N-]OC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000812792436 632581419 /nfs/dbraw/zinc/58/14/19/632581419.db2.gz ZYQAIZGHQBDEEW-QMMMGPOBSA-N -1 0 282.271 2.438 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000899405919 632835702 /nfs/dbraw/zinc/83/57/02/632835702.db2.gz QXNLFVDEYWYLLE-WNIABHAQSA-N -1 0 290.319 2.322 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C2CCCC2)n1 ZINC000910340376 638006555 /nfs/dbraw/zinc/00/65/55/638006555.db2.gz UBAOUGBHVWUIGP-UHFFFAOYSA-N -1 0 279.296 2.375 20 5 CEBDRM CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C12CCC2 ZINC000835884455 638444119 /nfs/dbraw/zinc/44/41/19/638444119.db2.gz OKBNBMGIDJZYRX-UWVGGRQHSA-N -1 0 280.280 2.037 20 5 CEBDRM O=C(CCOCC1CC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837564035 639284628 /nfs/dbraw/zinc/28/46/28/639284628.db2.gz GEAARUFYGJJDRI-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM C[C@@H]1C[C@@H](C)[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837703581 639350424 /nfs/dbraw/zinc/35/04/24/639350424.db2.gz GWJJJJPUEGIJRF-JRKPZEMJSA-N -1 0 295.291 2.157 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC(=O)[O-] ZINC000232074425 639895256 /nfs/dbraw/zinc/89/52/56/639895256.db2.gz XBWMIOZYNOCVBS-UHFFFAOYSA-N -1 0 295.295 2.198 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@H]2CCC=CO2)c([N+](=O)[O-])c1 ZINC000844208771 640632582 /nfs/dbraw/zinc/63/25/82/640632582.db2.gz MRYOVZCEHHTOQT-LLVKDONJSA-N -1 0 292.291 2.327 20 5 CEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000844209082 640633069 /nfs/dbraw/zinc/63/30/69/640633069.db2.gz FHXKSUQJBQZPTN-UWVGGRQHSA-N -1 0 278.308 2.314 20 5 CEBDRM O=C([O-])Cc1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000844211841 640633907 /nfs/dbraw/zinc/63/39/07/640633907.db2.gz IRFRZYPSPXXUSH-LBPRGKRZSA-N -1 0 290.319 2.458 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844212911 640634221 /nfs/dbraw/zinc/63/42/21/640634221.db2.gz PPCHNKPBUFHPLH-VHSXEESVSA-N -1 0 278.308 2.457 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000863479911 646738712 /nfs/dbraw/zinc/73/87/12/646738712.db2.gz CXWIVQNEWHHZLW-LLVKDONJSA-N -1 0 292.291 2.327 20 5 CEBDRM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1Cl ZINC000790975690 648467389 /nfs/dbraw/zinc/46/73/89/648467389.db2.gz OJYCNEGNQPYGIA-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=[N+]([O-])c1ccc(Cl)cc1CSCCc1nn[nH]n1 ZINC000882189690 651994916 /nfs/dbraw/zinc/99/49/16/651994916.db2.gz ZZXBHFWMDMUEQK-UHFFFAOYSA-N -1 0 299.743 2.237 20 5 CEBDRM O=C([O-])c1ccc(NCC2(F)CCOCC2)cc1[N+](=O)[O-] ZINC001168130279 806253353 /nfs/dbraw/zinc/25/33/53/806253353.db2.gz YLBJUHICVMHGPD-UHFFFAOYSA-N -1 0 298.270 2.224 20 5 CEBDRM COC[C@@H](C)OC[C@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490381 804885711 /nfs/dbraw/zinc/88/57/11/804885711.db2.gz HQLIYFFFKQMMGG-ZJUUUORDSA-N -1 0 285.296 2.119 20 5 CEBDRM CC(C)(C)N1CC(Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225622279 805039151 /nfs/dbraw/zinc/03/91/51/805039151.db2.gz GWLXGNQRBMXDRV-UHFFFAOYSA-N -1 0 266.297 2.162 20 5 CEBDRM Cc1coc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174502649 816029608 /nfs/dbraw/zinc/02/96/08/816029608.db2.gz WJGMEZPRTGBZDO-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(=O)o1 ZINC001174503264 816030454 /nfs/dbraw/zinc/03/04/54/816030454.db2.gz HZRSWHJPDYEOKR-UHFFFAOYSA-N -1 0 290.231 2.298 20 5 CEBDRM Cc1conc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176671737 816453067 /nfs/dbraw/zinc/45/30/67/816453067.db2.gz CQZRZXLTDCYUBP-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM O=C([O-])c1cc(Nc2nccs2)cc([N+](=O)[O-])c1 ZINC001176673628 816454087 /nfs/dbraw/zinc/45/40/87/816454087.db2.gz YNJVDTGYWCGYRE-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001178182629 816693811 /nfs/dbraw/zinc/69/38/11/816693811.db2.gz DRNYHPYYKDFKMQ-ZIYJGFGOSA-N -1 0 276.292 2.075 20 5 CEBDRM Cc1cc(N2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000035277127 361820078 /nfs/dbraw/zinc/82/00/78/361820078.db2.gz URHGLIFSZXHGHI-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM CN(CCC(=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000037932590 361966016 /nfs/dbraw/zinc/96/60/16/361966016.db2.gz HMGHKSGFEHPZRQ-UHFFFAOYSA-N -1 0 258.661 2.159 20 5 CEBDRM Cc1cc(N2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000042162324 362064186 /nfs/dbraw/zinc/06/41/86/362064186.db2.gz UWLKGWDXWNBIIX-JTQLQIEISA-N -1 0 264.281 2.347 20 5 CEBDRM CCc1c(=O)n(-c2ccc([N+](=O)[O-])cn2)[n-]c1C(C)C ZINC000601930722 346929525 /nfs/dbraw/zinc/92/95/25/346929525.db2.gz AURZAFITXDZIHY-JTQLQIEISA-N -1 0 276.296 2.375 20 5 CEBDRM Cc1cc(N[C@H](C)[C@H](C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567979415 299103929 /nfs/dbraw/zinc/10/39/29/299103929.db2.gz LBDQTUXQZHVMAH-RKDXNWHRSA-N -1 0 282.296 2.030 20 5 CEBDRM C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000133560660 344369563 /nfs/dbraw/zinc/36/95/63/344369563.db2.gz KTVHUEJGAUPYMR-YUMQZZPRSA-N -1 0 250.254 2.361 20 5 CEBDRM COc1cccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134887668 344378432 /nfs/dbraw/zinc/37/84/32/344378432.db2.gz UDJNDEJUDDFMJY-DTWKUNHWSA-N -1 0 280.280 2.269 20 5 CEBDRM O=C([O-])c1cnc(NC[C@@H]2CCCCS2)c([N+](=O)[O-])c1 ZINC000162459692 344467507 /nfs/dbraw/zinc/46/75/07/344467507.db2.gz PCKJOJZOKXFFIW-VIFPVBQESA-N -1 0 297.336 2.386 20 5 CEBDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000163891975 344471573 /nfs/dbraw/zinc/47/15/73/344471573.db2.gz MQLALQMNHXCFBC-SNVBAGLBSA-N -1 0 280.280 2.280 20 5 CEBDRM O=C([O-])CCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000226761563 344551501 /nfs/dbraw/zinc/55/15/01/344551501.db2.gz JFEICPVMNBWJGE-UHFFFAOYSA-N -1 0 285.325 2.133 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000229720801 344568808 /nfs/dbraw/zinc/56/88/08/344568808.db2.gz LNCLIBIHIWIQCX-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000403605717 344875844 /nfs/dbraw/zinc/87/58/44/344875844.db2.gz HOYBMBOPTSJFIH-MXWKQRLJSA-N -1 0 290.319 2.466 20 5 CEBDRM Cc1cc(N[C@H]2CCOC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584617698 344965852 /nfs/dbraw/zinc/96/58/52/344965852.db2.gz ZZZFRVABPOSALK-SKDRFNHKSA-N -1 0 294.307 2.438 20 5 CEBDRM Cc1nc(C(C)(C)NCc2cc([O-])ccc2[N+](=O)[O-])no1 ZINC000339034293 214911423 /nfs/dbraw/zinc/91/14/23/214911423.db2.gz CLLKQHRQRMPTJV-UHFFFAOYSA-N -1 0 292.295 2.017 20 5 CEBDRM CC(C)[C@@H](O)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592973914 345417140 /nfs/dbraw/zinc/41/71/40/345417140.db2.gz JCSUZHJGWDKOJN-LBPRGKRZSA-N -1 0 282.296 2.112 20 5 CEBDRM O=C([O-])Cc1ccc(NCCC2CC2)c([N+](=O)[O-])c1 ZINC000592972674 345417308 /nfs/dbraw/zinc/41/73/08/345417308.db2.gz LMCUUJDNMADEAU-UHFFFAOYSA-N -1 0 264.281 2.434 20 5 CEBDRM Cc1cc(NC[C@@H]2CC[C@@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592975442 345417682 /nfs/dbraw/zinc/41/76/82/345417682.db2.gz OPSMNECFAMAMIX-MWLCHTKSSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000592980706 345418593 /nfs/dbraw/zinc/41/85/93/345418593.db2.gz XFTHOXOSPNDYFY-KOLCDFICSA-N -1 0 293.323 2.154 20 5 CEBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061404 345431095 /nfs/dbraw/zinc/43/10/95/345431095.db2.gz KGPYSDDAGQKOJY-GXFFZTMASA-N -1 0 280.324 2.300 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)CC(F)F ZINC000592826275 345400243 /nfs/dbraw/zinc/40/02/43/345400243.db2.gz RPSJUPVDYICQOE-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC12CCCC2 ZINC000593762531 345534576 /nfs/dbraw/zinc/53/45/76/345534576.db2.gz XWXQBDKIFPBDSS-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCC(F)(F)C1 ZINC000593789656 345539120 /nfs/dbraw/zinc/53/91/20/345539120.db2.gz PMNGCDNNNGXXDA-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM C[C@H]1CCC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000594737223 345681960 /nfs/dbraw/zinc/68/19/60/345681960.db2.gz ZMNXMQLWGPQVII-DTWKUNHWSA-N -1 0 295.295 2.058 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000595967660 345919037 /nfs/dbraw/zinc/91/90/37/345919037.db2.gz AJWXBCNGIDWZBP-DTWKUNHWSA-N -1 0 280.280 2.269 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000595970256 345919044 /nfs/dbraw/zinc/91/90/44/345919044.db2.gz VEDPHOWXBIGCQV-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM CN(C[C@H]1CC1(C)C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000596027444 345925038 /nfs/dbraw/zinc/92/50/38/345925038.db2.gz XZENILQRYUMTFG-MRVPVSSYSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H]1C(F)(F)F ZINC000597666942 346213259 /nfs/dbraw/zinc/21/32/59/346213259.db2.gz TXGXCRNBJFOKAZ-VIFPVBQESA-N -1 0 290.197 2.077 20 5 CEBDRM C[C@@]1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1(F)F ZINC000598215463 346307635 /nfs/dbraw/zinc/30/76/35/346307635.db2.gz KXHZKHFHGGLREX-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM C[C@@H](NC(=O)C[C@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000061835151 362691298 /nfs/dbraw/zinc/69/12/98/362691298.db2.gz DNGSWBUBFZXNJW-VHSXEESVSA-N -1 0 294.307 2.273 20 5 CEBDRM CC1CC(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000598734393 346411501 /nfs/dbraw/zinc/41/15/01/346411501.db2.gz HUXXJSKLAHUIPO-UHFFFAOYSA-N -1 0 265.269 2.146 20 5 CEBDRM CC1CC(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000598778063 346418264 /nfs/dbraw/zinc/41/82/64/346418264.db2.gz INIRMMYKEVQKKI-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598784247 346419977 /nfs/dbraw/zinc/41/99/77/346419977.db2.gz UGFPWMPLYRATQN-SSDOTTSWSA-N -1 0 286.234 2.076 20 5 CEBDRM CCO[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000599750222 346576763 /nfs/dbraw/zinc/57/67/63/346576763.db2.gz HFLJGZHBAAOUKT-GFCCVEGCSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000600358637 346635385 /nfs/dbraw/zinc/63/53/85/346635385.db2.gz FFUVDFRWOAAPTP-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM O=C(Nc1c(O)cccc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610339726 347673492 /nfs/dbraw/zinc/67/34/92/347673492.db2.gz IDNFWWFCYZEOFR-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534587 347792496 /nfs/dbraw/zinc/79/24/96/347792496.db2.gz DUVHNDYWZUJDSH-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1F ZINC000614015498 348134139 /nfs/dbraw/zinc/13/41/39/348134139.db2.gz WIRKMLLROHUPLJ-GZMMTYOYSA-N -1 0 282.271 2.121 20 5 CEBDRM COC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000614860551 348247415 /nfs/dbraw/zinc/24/74/15/348247415.db2.gz ZDGUKASFGCYVIF-UHFFFAOYSA-N -1 0 294.307 2.444 20 5 CEBDRM C[C@H](S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000618020537 348854355 /nfs/dbraw/zinc/85/43/55/348854355.db2.gz DBONCKJAVVWFEU-YUMQZZPRSA-N -1 0 298.320 2.128 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(F)ccc2F)[nH]1 ZINC000352013207 219290515 /nfs/dbraw/zinc/29/05/15/219290515.db2.gz HOYISLXWXDKMQX-DAFODLJHSA-N -1 0 295.201 2.245 20 5 CEBDRM CC(C)(C)c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000352009474 219289206 /nfs/dbraw/zinc/28/92/06/219289206.db2.gz VPOZTEHCHPDVGR-UHFFFAOYSA-N -1 0 294.286 2.448 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000292199588 198199450 /nfs/dbraw/zinc/19/94/50/198199450.db2.gz GMDDNBOLKHIZSW-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157965856 188349377 /nfs/dbraw/zinc/34/93/77/188349377.db2.gz RKWLKJQMLQHQMD-BDAKNGLRSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C(F)F ZINC000338181521 366224274 /nfs/dbraw/zinc/22/42/74/366224274.db2.gz UIEUQQUXFVNORS-RNFRBKRXSA-N -1 0 272.207 2.140 20 5 CEBDRM C[C@@H]1CC2(CCC2)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575752164 366357488 /nfs/dbraw/zinc/35/74/88/366357488.db2.gz JQSYNUOETNKCBN-SECBINFHSA-N -1 0 291.307 2.457 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452204344 283220047 /nfs/dbraw/zinc/22/00/47/283220047.db2.gz XQVJNEKRLVGCCA-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000452819298 283392516 /nfs/dbraw/zinc/39/25/16/283392516.db2.gz TZRSDCCNKOYDHB-NOZJJQNGSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137089295 366535675 /nfs/dbraw/zinc/53/56/75/366535675.db2.gz VZTFLWCHXQEHAB-SKDRFNHKSA-N -1 0 294.307 2.132 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CO)c1ccsc1 ZINC000339096750 366652703 /nfs/dbraw/zinc/65/27/03/366652703.db2.gz RFIABMCAGFSODJ-LBPRGKRZSA-N -1 0 294.332 2.185 20 5 CEBDRM CCC[C@H](O)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000581610303 366801689 /nfs/dbraw/zinc/80/16/89/366801689.db2.gz IMMDCJCGEMEWDK-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000029775540 361690709 /nfs/dbraw/zinc/69/07/09/361690709.db2.gz NVXWFVJNQLYOGP-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=[N+]([O-])c1cnc([N-]c2cnn(-c3ccccc3)c2)nc1 ZINC000302157747 201373027 /nfs/dbraw/zinc/37/30/27/201373027.db2.gz NMOGMYMUSOIDKE-UHFFFAOYSA-N -1 0 282.263 2.314 20 5 CEBDRM CC1(C)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546112 364081170 /nfs/dbraw/zinc/08/11/70/364081170.db2.gz CETQHXYETOGBSX-QMMMGPOBSA-N -1 0 250.254 2.285 20 5 CEBDRM CC[C@@](C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000094226187 364261882 /nfs/dbraw/zinc/26/18/82/364261882.db2.gz MREQBLWXSAZWQA-GFCCVEGCSA-N -1 0 299.258 2.109 20 5 CEBDRM COc1cc(NC2(CC(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000094291348 364265229 /nfs/dbraw/zinc/26/52/29/364265229.db2.gz DRKABHDEBYTUHL-UHFFFAOYSA-N -1 0 280.280 2.413 20 5 CEBDRM CCn1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cn1 ZINC000111998621 364768600 /nfs/dbraw/zinc/76/86/00/364768600.db2.gz GNONWIVUNAZWOS-ONEGZZNKSA-N -1 0 288.263 2.075 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000159421282 366910417 /nfs/dbraw/zinc/91/04/17/366910417.db2.gz VCJCWAFECUELDH-NXEZZACHSA-N -1 0 276.292 2.173 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000245628304 370851907 /nfs/dbraw/zinc/85/19/07/370851907.db2.gz UMMDDGCMDHYTED-ILWJIGKKSA-N -1 0 294.307 2.443 20 5 CEBDRM Cc1c(C(=O)N=c2ccc(C3CC3)n[n-]2)cccc1[N+](=O)[O-] ZINC000341211632 367223085 /nfs/dbraw/zinc/22/30/85/367223085.db2.gz GOVMDNKPIGCLPU-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(C2CCC2)C1 ZINC000341279411 367264350 /nfs/dbraw/zinc/26/43/50/367264350.db2.gz CDYIKYUAYUOBEY-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCS1 ZINC000166153852 367319602 /nfs/dbraw/zinc/31/96/02/367319602.db2.gz HQMFKBZLOVABMI-SNVBAGLBSA-N -1 0 268.294 2.135 20 5 CEBDRM CC(C)OCCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000180935737 368405270 /nfs/dbraw/zinc/40/52/70/368405270.db2.gz YASSBUPPYHQNTB-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM Cc1nc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)o1 ZINC000346332890 368640361 /nfs/dbraw/zinc/64/03/61/368640361.db2.gz VKAUIZYFWMTPLR-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000223747540 370270584 /nfs/dbraw/zinc/27/05/84/370270584.db2.gz LGKXURKGUMUYKS-UHFFFAOYSA-N -1 0 284.318 2.457 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234285744 370533203 /nfs/dbraw/zinc/53/32/03/370533203.db2.gz SBCFLUCCCDITMQ-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC000355545214 370595493 /nfs/dbraw/zinc/59/54/93/370595493.db2.gz LJARRZYENUQKMD-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM C[C@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(F)F ZINC000331945580 204321022 /nfs/dbraw/zinc/32/10/22/204321022.db2.gz JACLAOMVBZGVBI-CDUCUWFYSA-N -1 0 272.207 2.140 20 5 CEBDRM CC(C)(CCNc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000336841002 213748867 /nfs/dbraw/zinc/74/88/67/213748867.db2.gz QWJSVDGJDJQUIN-UHFFFAOYSA-N -1 0 298.324 2.217 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000263155825 371930771 /nfs/dbraw/zinc/93/07/71/371930771.db2.gz HWAIUXJZYYEPRU-IUCAKERBSA-N -1 0 282.271 2.281 20 5 CEBDRM CCc1ocnc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361661440 372011881 /nfs/dbraw/zinc/01/18/81/372011881.db2.gz NCHYVJJDINMVSH-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000271944451 373229421 /nfs/dbraw/zinc/22/94/21/373229421.db2.gz PPPSVXINJUYTSL-RKDXNWHRSA-N -1 0 280.280 2.054 20 5 CEBDRM CCN(CC(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272507862 373524356 /nfs/dbraw/zinc/52/43/56/373524356.db2.gz FNMIJIIBCUKBDR-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC3(CCC3)C2)n1 ZINC000380422979 375164549 /nfs/dbraw/zinc/16/45/49/375164549.db2.gz PTYZGSGWCVPBBE-UHFFFAOYSA-N -1 0 277.280 2.068 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000313865592 376756940 /nfs/dbraw/zinc/75/69/40/376756940.db2.gz KJWJEUZRDFGZJM-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CCCC[C@H](Sc1ncc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000563433840 377225876 /nfs/dbraw/zinc/22/58/76/377225876.db2.gz XLCNMDSPDVHCOE-QMMMGPOBSA-N -1 0 271.298 2.120 20 5 CEBDRM CC[C@@H](C)[C@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564572251 377408898 /nfs/dbraw/zinc/40/88/98/377408898.db2.gz OJHUAIDVDYYEHB-PRHODGIISA-N -1 0 296.323 2.420 20 5 CEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCC1 ZINC000332472078 377617236 /nfs/dbraw/zinc/61/72/36/377617236.db2.gz SIEZEHYSDBCGRD-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000293677765 377694110 /nfs/dbraw/zinc/69/41/10/377694110.db2.gz JBKAUGDTQFFEAB-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM CO[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000567592156 377848272 /nfs/dbraw/zinc/84/82/72/377848272.db2.gz QVONIPQBOZLNQX-QMMMGPOBSA-N -1 0 268.269 2.048 20 5 CEBDRM Cc1nc([N-]c2cc(C3CC3)n(C)n2)ncc1[N+](=O)[O-] ZINC000295725571 378279652 /nfs/dbraw/zinc/27/96/52/378279652.db2.gz VAZWHTGLPHKEIC-UHFFFAOYSA-N -1 0 274.284 2.048 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280967832 195050664 /nfs/dbraw/zinc/05/06/64/195050664.db2.gz OARQMJGCWFAKAA-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cc(NC[C@@H](CC(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000094703284 184844124 /nfs/dbraw/zinc/84/41/24/184844124.db2.gz JOUDYLUHPXZUIS-SNVBAGLBSA-N -1 0 281.312 2.457 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@]12C[C@H]1CCC2 ZINC000421792808 394596652 /nfs/dbraw/zinc/59/66/52/394596652.db2.gz RDXPPISKSKUPMB-AMIZOPFISA-N -1 0 262.265 2.429 20 5 CEBDRM O=C(Nc1ccc(F)cc1O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356801323 394618248 /nfs/dbraw/zinc/61/82/48/394618248.db2.gz ILIWWVZXOPBELE-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC[C@H](C)N(CC(=O)OC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339153693 394946528 /nfs/dbraw/zinc/94/65/28/394946528.db2.gz JEANOEXQEYDIRI-JTQLQIEISA-N -1 0 296.323 2.074 20 5 CEBDRM COC(=O)C[C@@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436477547 395119526 /nfs/dbraw/zinc/11/95/26/395119526.db2.gz YPEDRJIVGGOVRL-MRVPVSSYSA-N -1 0 285.321 2.485 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436733659 395150401 /nfs/dbraw/zinc/15/04/01/395150401.db2.gz IKLOMEHNDWVFIJ-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436946025 395166916 /nfs/dbraw/zinc/16/69/16/395166916.db2.gz BTPWHLCEPQHMKR-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436971806 395168110 /nfs/dbraw/zinc/16/81/10/395168110.db2.gz LBCBZJJZOYILCL-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000574277027 395627227 /nfs/dbraw/zinc/62/72/27/395627227.db2.gz LVCIBGRFWAZHIM-MWLCHTKSSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)CC(C)C)n1 ZINC000574758894 395636664 /nfs/dbraw/zinc/63/66/64/395636664.db2.gz CEDYUWINADDVHL-QMMMGPOBSA-N -1 0 281.312 2.265 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCC(=O)[O-] ZINC000263269847 154044505 /nfs/dbraw/zinc/04/45/05/154044505.db2.gz VUVOBWAXVQGIMU-UHFFFAOYSA-N -1 0 294.307 2.196 20 5 CEBDRM C[C@@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000563960618 298812433 /nfs/dbraw/zinc/81/24/33/298812433.db2.gz UYTKVIYTXKYBGJ-SECBINFHSA-N -1 0 292.291 2.027 20 5 CEBDRM Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000019398209 170783380 /nfs/dbraw/zinc/78/33/80/170783380.db2.gz VKUJZSGCHNXZIZ-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c2cnccc21 ZINC000038021170 174000186 /nfs/dbraw/zinc/00/01/86/174000186.db2.gz ODLWWFPOQUSWEH-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000038026605 174012361 /nfs/dbraw/zinc/01/23/61/174012361.db2.gz BOTVVVALBBSWHB-MRVPVSSYSA-N -1 0 298.320 2.126 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1SCCC(=O)[O-] ZINC000565660485 298916399 /nfs/dbraw/zinc/91/63/99/298916399.db2.gz LFIQCGHTGDEERJ-UHFFFAOYSA-N -1 0 269.278 2.364 20 5 CEBDRM O=C([O-])c1ccc(CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC000071396011 176149701 /nfs/dbraw/zinc/14/97/01/176149701.db2.gz JGTLATHZYGOPGC-UHFFFAOYSA-N -1 0 276.248 2.176 20 5 CEBDRM CCC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000078246412 177328561 /nfs/dbraw/zinc/32/85/61/177328561.db2.gz BQBMYQJAAGHCLG-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000354885009 227201176 /nfs/dbraw/zinc/20/11/76/227201176.db2.gz OHOPGBQSDIVCLZ-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000390298537 262175415 /nfs/dbraw/zinc/17/54/15/262175415.db2.gz KLSNRPLABNETGK-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM O=C(Nc1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000121770858 279773233 /nfs/dbraw/zinc/77/32/33/279773233.db2.gz CECKYHZBXSRELP-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235238326 280221135 /nfs/dbraw/zinc/22/11/35/280221135.db2.gz KVWXCJPFGUHYMY-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000081926537 281221803 /nfs/dbraw/zinc/22/18/03/281221803.db2.gz TYHYYPBIESLPGU-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cncs1 ZINC000436841792 281407050 /nfs/dbraw/zinc/40/70/50/281407050.db2.gz VFPXLRWVESJHRN-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM COc1cc(/C=C\c2cnccn2)cc([N+](=O)[O-])c1[O-] ZINC000560056537 298632414 /nfs/dbraw/zinc/63/24/14/298632414.db2.gz QVUNXBKAGOJRJI-IHWYPQMZSA-N -1 0 273.248 2.269 20 5 CEBDRM CC[C@@H](CCO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000563887897 298806569 /nfs/dbraw/zinc/80/65/69/298806569.db2.gz DGXRCQFGKVHXJS-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184581459 300479890 /nfs/dbraw/zinc/47/98/90/300479890.db2.gz RTLQCGMVRKLWBQ-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])OC ZINC000563204393 313721799 /nfs/dbraw/zinc/72/17/99/313721799.db2.gz KVJRGASHZFENIG-SECBINFHSA-N -1 0 282.296 2.438 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC=C(F)C2)n1 ZINC000564658707 313773057 /nfs/dbraw/zinc/77/30/57/313773057.db2.gz KTORBWZOKVZOMA-UHFFFAOYSA-N -1 0 281.243 2.060 20 5 CEBDRM C[C@H](C[C@@H]1CCCO1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568396399 313950953 /nfs/dbraw/zinc/95/09/53/313950953.db2.gz HDMDDAGFFCRQNK-BDAKNGLRSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC000576253234 314257205 /nfs/dbraw/zinc/25/72/05/314257205.db2.gz ZZNVFKNZBPCLSQ-NSHDSACASA-N -1 0 293.323 2.298 20 5 CEBDRM C[C@H]1CSCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000379462908 321826013 /nfs/dbraw/zinc/82/60/13/321826013.db2.gz DMOJCFFPZVFWJY-SECBINFHSA-N -1 0 296.348 2.482 20 5 CEBDRM CC[C@H]1CC[C@@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000380555713 321830666 /nfs/dbraw/zinc/83/06/66/321830666.db2.gz YKNJOXGKARHKGP-BDAKNGLRSA-N -1 0 279.296 2.455 20 5 CEBDRM CN(CC1CCCC1)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000383856988 321849568 /nfs/dbraw/zinc/84/95/68/321849568.db2.gz XDPAGDAYWJRLQZ-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM O=C([O-])CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000580390433 322314399 /nfs/dbraw/zinc/31/43/99/322314399.db2.gz YEYJRHOTZHBTLG-UHFFFAOYSA-N -1 0 293.279 2.066 20 5 CEBDRM Cc1cc(N[C@H]2CO[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583146436 322527462 /nfs/dbraw/zinc/52/74/62/322527462.db2.gz ZHBVCTPVGCEHEP-DTWKUNHWSA-N -1 0 280.280 2.191 20 5 CEBDRM Cc1cccc(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000583408577 322544740 /nfs/dbraw/zinc/54/47/40/322544740.db2.gz CZDWBEGCGVGUDX-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N(CC(F)F)C1CC1 ZINC000164560774 534715646 /nfs/dbraw/zinc/71/56/46/534715646.db2.gz NLODKQSIVAKRRP-UHFFFAOYSA-N -1 0 286.234 2.170 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC(CCC(=O)[O-])CC1 ZINC000052812111 525573995 /nfs/dbraw/zinc/57/39/95/525573995.db2.gz IMHRNKKGJYZAGE-UHFFFAOYSA-N -1 0 293.323 2.379 20 5 CEBDRM Cc1nnc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000068918656 526368606 /nfs/dbraw/zinc/36/86/06/526368606.db2.gz JOHFCWCSSPCDCB-UHFFFAOYSA-N -1 0 282.256 2.146 20 5 CEBDRM CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184629444 535359882 /nfs/dbraw/zinc/35/98/82/535359882.db2.gz IEVJNMNDLBZVLM-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM Cc1cc(N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000740076887 574440624 /nfs/dbraw/zinc/44/06/24/574440624.db2.gz HEUAUOWKOYDKEW-CMPLNLGQSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])c1cc(F)ccc1COc1cccnc1[N+](=O)[O-] ZINC000740078885 574440732 /nfs/dbraw/zinc/44/07/32/574440732.db2.gz VXLZGPUJBHVTRC-UHFFFAOYSA-N -1 0 292.222 2.406 20 5 CEBDRM CN(CCCNc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000739684489 574503647 /nfs/dbraw/zinc/50/36/47/574503647.db2.gz JECGCVIEOQCNAS-UHFFFAOYSA-N -1 0 288.691 2.055 20 5 CEBDRM O=C(OCCc1ccccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000731139193 574590199 /nfs/dbraw/zinc/59/01/99/574590199.db2.gz HPEYBRVQOKLVON-UHFFFAOYSA-N -1 0 278.239 2.462 20 5 CEBDRM C[C@H](CO)CSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736606223 574793286 /nfs/dbraw/zinc/79/32/86/574793286.db2.gz BFMICOJVWOVGTQ-HYYFJVDXSA-N -1 0 297.332 2.413 20 5 CEBDRM C[C@@H](OC(=O)CCCNC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000736686296 574794601 /nfs/dbraw/zinc/79/46/01/574794601.db2.gz FULOEGLHEKKBNH-SECBINFHSA-N -1 0 296.279 2.247 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)OCCCCC(=O)[O-] ZINC000738311127 574857637 /nfs/dbraw/zinc/85/76/37/574857637.db2.gz SSZMWFILNNDNTI-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@@H]1CC=CCC1 ZINC000738360784 574859261 /nfs/dbraw/zinc/85/92/61/574859261.db2.gz YTGSQTSQURIUTK-SNVBAGLBSA-N -1 0 286.295 2.296 20 5 CEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000738399292 574860987 /nfs/dbraw/zinc/86/09/87/574860987.db2.gz JUPUPPSGDDWUJH-RNFRBKRXSA-N -1 0 299.666 2.183 20 5 CEBDRM O=C([O-])CCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000738582856 574869060 /nfs/dbraw/zinc/86/90/60/574869060.db2.gz REVYMDIMTACIFQ-VMPITWQZSA-N -1 0 279.248 2.016 20 5 CEBDRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000738614450 574871026 /nfs/dbraw/zinc/87/10/26/574871026.db2.gz IGOWBIKVNQTUTJ-LLVKDONJSA-N -1 0 295.295 2.134 20 5 CEBDRM C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)N1C(=O)[O-] ZINC000739186014 574898508 /nfs/dbraw/zinc/89/85/08/574898508.db2.gz CPBJKQCVSVDUFL-RKDXNWHRSA-N -1 0 299.352 2.229 20 5 CEBDRM CCN(CCCNc1nccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000739420437 574917450 /nfs/dbraw/zinc/91/74/50/574917450.db2.gz COARYWHIHLZCKM-UHFFFAOYSA-N -1 0 282.300 2.100 20 5 CEBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739559478 574926139 /nfs/dbraw/zinc/92/61/39/574926139.db2.gz OUFNPKFDMIKUNA-HTQZYQBOSA-N -1 0 299.666 2.012 20 5 CEBDRM CN(C[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665700 574930351 /nfs/dbraw/zinc/93/03/51/574930351.db2.gz ZYHLHPSLDJGDJJ-MRVPVSSYSA-N -1 0 285.325 2.092 20 5 CEBDRM Cc1c(CN2CCN(C(=O)[O-])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000740050678 574940162 /nfs/dbraw/zinc/94/01/62/574940162.db2.gz VRKXHTNGWVSNRU-JTQLQIEISA-N -1 0 293.323 2.087 20 5 CEBDRM Cc1ccc(NC(=O)CC(C)(C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000740139641 574945047 /nfs/dbraw/zinc/94/50/47/574945047.db2.gz XGKQVKLBFPKNDG-UHFFFAOYSA-N -1 0 295.295 2.278 20 5 CEBDRM O=C([O-])c1coc(C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000740257358 574950407 /nfs/dbraw/zinc/95/04/07/574950407.db2.gz HKZFEJHLSXLPSG-UHFFFAOYSA-N -1 0 291.215 2.148 20 5 CEBDRM O=C([O-])N1CC[C@@H](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000740499052 574956505 /nfs/dbraw/zinc/95/65/05/574956505.db2.gz WRFUCSNYOTZBDZ-SNVBAGLBSA-N -1 0 279.296 2.397 20 5 CEBDRM O=C([O-])NCCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000740652974 574963037 /nfs/dbraw/zinc/96/30/37/574963037.db2.gz QHWFWONVOKCIHM-UHFFFAOYSA-N -1 0 290.279 2.213 20 5 CEBDRM CC1(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)[C@H]2CCCO[C@H]21 ZINC000744183043 575116164 /nfs/dbraw/zinc/11/61/64/575116164.db2.gz JBFYQJHKLIGSOI-XXILOJSOSA-N -1 0 294.307 2.283 20 5 CEBDRM CSCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000228643496 600936847 /nfs/dbraw/zinc/93/68/47/600936847.db2.gz IYJZKOYVVFFJDX-UHFFFAOYSA-N -1 0 271.294 2.425 20 5 CEBDRM O=C([O-])c1ccc(OCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000052151496 600377168 /nfs/dbraw/zinc/37/71/68/600377168.db2.gz PSHBTQBAVJITLP-UHFFFAOYSA-N -1 0 281.264 2.098 20 5 CEBDRM CC(C)C[C@H](CNc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC000826779726 600817291 /nfs/dbraw/zinc/81/72/91/600817291.db2.gz IPVPGRGKJPQBFZ-SECBINFHSA-N -1 0 267.285 2.149 20 5 CEBDRM C/C(=C\COC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825775395 601406674 /nfs/dbraw/zinc/40/66/74/601406674.db2.gz QSKJKDANLZJKLA-WEVVVXLNSA-N -1 0 279.248 2.091 20 5 CEBDRM C/C(=C\COC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000825780395 601407541 /nfs/dbraw/zinc/40/75/41/601407541.db2.gz DRHFKXDXZKHOSO-QPJJXVBHSA-N -1 0 299.666 2.436 20 5 CEBDRM O=C([O-])CCCSc1nc2ccccn2c1[N+](=O)[O-] ZINC000833229058 601565295 /nfs/dbraw/zinc/56/52/95/601565295.db2.gz PLATXCKHPCKICM-UHFFFAOYSA-N -1 0 281.293 2.199 20 5 CEBDRM O=C([O-])c1cc(NC(=O)C2=CCCC2)cc([N+](=O)[O-])c1 ZINC000833152022 602150179 /nfs/dbraw/zinc/15/01/79/602150179.db2.gz SBJILHPZDOBOQB-UHFFFAOYSA-N -1 0 276.248 2.342 20 5 CEBDRM COc1cc(NCC[C@H](C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000829198112 603182624 /nfs/dbraw/zinc/18/26/24/603182624.db2.gz NHLNPDSKHAMQMW-QMMMGPOBSA-N -1 0 283.284 2.062 20 5 CEBDRM O=C([O-])NC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000832521644 603198519 /nfs/dbraw/zinc/19/85/19/603198519.db2.gz PGMBRTJOYWWBSC-MWLCHTKSSA-N -1 0 294.311 2.228 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000832520965 603200659 /nfs/dbraw/zinc/20/06/59/603200659.db2.gz INGQHNWEBGKPOD-ONGXEEELSA-N -1 0 294.311 2.228 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000830138215 603445589 /nfs/dbraw/zinc/44/55/89/603445589.db2.gz ODWBJXLUPOXPMW-CMPLNLGQSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1cc(N[C@@H]2CCC[C@@H]2CNC(=O)[O-])ncc1[N+](=O)[O-] ZINC000830117481 603892447 /nfs/dbraw/zinc/89/24/47/603892447.db2.gz ZDARFEURXSURAT-NXEZZACHSA-N -1 0 294.311 2.146 20 5 CEBDRM CCCC[C@H](CNC(=O)[O-])Nc1ncccc1[N+](=O)[O-] ZINC000826812367 603893351 /nfs/dbraw/zinc/89/33/51/603893351.db2.gz BIQGYWQLYMZYKI-SECBINFHSA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1ccc([C@@H](C)OC(=O)CN(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000830256771 603928826 /nfs/dbraw/zinc/92/88/26/603928826.db2.gz LLFIYPWVOUOFNI-SECBINFHSA-N -1 0 296.279 2.117 20 5 CEBDRM Cc1c(NC(=O)[C@H](C)CN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829877768 604059034 /nfs/dbraw/zinc/05/90/34/604059034.db2.gz TVKCIKCRYPEPPS-MRVPVSSYSA-N -1 0 295.295 2.088 20 5 CEBDRM CC(C)(O)CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000205428844 604263119 /nfs/dbraw/zinc/26/31/19/604263119.db2.gz HIDRVRSDLOKOLC-UHFFFAOYSA-N -1 0 288.687 2.129 20 5 CEBDRM Cc1nc(NC[C@@H]2CCCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830773628 604441471 /nfs/dbraw/zinc/44/14/71/604441471.db2.gz BRHIZCIQEVBVGQ-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000236431723 604470673 /nfs/dbraw/zinc/47/06/73/604470673.db2.gz LDTVKNANTILHBE-ZETCQYMHSA-N -1 0 285.687 2.087 20 5 CEBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)[O-] ZINC000820036719 605077134 /nfs/dbraw/zinc/07/71/34/605077134.db2.gz OWCVMRWDNRRVAD-UHFFFAOYSA-N -1 0 299.304 2.337 20 5 CEBDRM C[C@H](Sc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000081588863 605142395 /nfs/dbraw/zinc/14/23/95/605142395.db2.gz RWVBZZARECRPON-LURJTMIESA-N -1 0 279.277 2.103 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccccc1[N+](=O)[O-] ZINC000825844581 605484523 /nfs/dbraw/zinc/48/45/23/605484523.db2.gz KIJAXPWVIYFOHV-NXEZZACHSA-N -1 0 279.296 2.220 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)OCC(C)(C)NC(=O)[O-])c1 ZINC000833907992 605743353 /nfs/dbraw/zinc/74/33/53/605743353.db2.gz YRBQOWQXYRVMSE-UHFFFAOYSA-N -1 0 296.279 2.106 20 5 CEBDRM O=Cc1c[nH]nc1C=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000255677341 625381128 /nfs/dbraw/zinc/38/11/28/625381128.db2.gz QUQOTHFPQZKGIR-IWQZZHSRSA-N -1 0 259.221 2.006 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000050196243 623348289 /nfs/dbraw/zinc/34/82/89/623348289.db2.gz WANKFCZCYZYMDR-UHFFFAOYSA-N -1 0 294.267 2.186 20 5 CEBDRM Cc1ccc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000092923400 624109698 /nfs/dbraw/zinc/10/96/98/624109698.db2.gz JEACFPFHGCZVOP-VHSXEESVSA-N -1 0 264.281 2.203 20 5 CEBDRM C[C@@H]1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000311676032 627687869 /nfs/dbraw/zinc/68/78/69/627687869.db2.gz ZIJNEBVUDPWHGL-SFYZADRCSA-N -1 0 265.269 2.289 20 5 CEBDRM O=C(OCC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000784955832 627965899 /nfs/dbraw/zinc/96/58/99/627965899.db2.gz NFJYMCMRZQXNPM-VIFPVBQESA-N -1 0 268.269 2.039 20 5 CEBDRM O=c1[n-]c(CCCNc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000804526581 631699251 /nfs/dbraw/zinc/69/92/51/631699251.db2.gz NDHYNPKJHIRASH-UHFFFAOYSA-N -1 0 297.702 2.117 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000899419850 632842096 /nfs/dbraw/zinc/84/20/96/632842096.db2.gz YEDYINGYBSXTQQ-YJQGPUDQSA-N -1 0 290.319 2.322 20 5 CEBDRM Cc1cc(N2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC000900938608 633894901 /nfs/dbraw/zinc/89/49/01/633894901.db2.gz CZEVQRUZHKDCKE-QMMMGPOBSA-N -1 0 270.310 2.266 20 5 CEBDRM Cc1cc(N2CCO[C@@H](C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000906156122 636613730 /nfs/dbraw/zinc/61/37/30/636613730.db2.gz VDIMBEWOHSWEGL-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM CC(C)SCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837413657 639219894 /nfs/dbraw/zinc/21/98/94/639219894.db2.gz DLAWMTHOPPPTAI-UHFFFAOYSA-N -1 0 285.321 2.485 20 5 CEBDRM CC1(C)C[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837593867 639299722 /nfs/dbraw/zinc/29/97/22/639299722.db2.gz ZIVLLAHJSDYOQO-JTQLQIEISA-N -1 0 265.265 2.390 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCC=CO1 ZINC000837691437 639345579 /nfs/dbraw/zinc/34/55/79/639345579.db2.gz UHSTVGXCSNVMPC-LBPRGKRZSA-N -1 0 279.248 2.036 20 5 CEBDRM COC[C@@H](C)[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837739339 639368659 /nfs/dbraw/zinc/36/86/59/639368659.db2.gz UYERAJDRXGTWSJ-NXEZZACHSA-N -1 0 297.307 2.262 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC2CCC2)n1 ZINC000166855684 639489197 /nfs/dbraw/zinc/48/91/97/639489197.db2.gz HSQNXZOFBLODAZ-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CCC=CO2)c([N+](=O)[O-])c1 ZINC000844208772 640632743 /nfs/dbraw/zinc/63/27/43/640632743.db2.gz MRYOVZCEHHTOQT-NSHDSACASA-N -1 0 292.291 2.327 20 5 CEBDRM CC(C)n1cc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[n-]2)nn1 ZINC000851240760 642957885 /nfs/dbraw/zinc/95/78/85/642957885.db2.gz JAGGVXHHZXYFSX-MRVPVSSYSA-N -1 0 293.283 2.013 20 5 CEBDRM COc1cc(NCCCCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000213806938 652317226 /nfs/dbraw/zinc/31/72/26/652317226.db2.gz JCOWSIWWWPKYMS-UHFFFAOYSA-N -1 0 298.295 2.279 20 5 CEBDRM CCC[C@@H](CC(=O)OC)Oc1cc(O)cc([O-])c1[N+](=O)[O-] ZINC001228972592 806370235 /nfs/dbraw/zinc/37/02/35/806370235.db2.gz ZTUKEJPOXLKMIC-VIFPVBQESA-N -1 0 299.279 2.117 20 5 CEBDRM O=c1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)o[n-]1 ZINC001169482874 811527732 /nfs/dbraw/zinc/52/77/32/811527732.db2.gz WDXZCEPVTBKXQD-UHFFFAOYSA-N -1 0 290.279 2.174 20 5 CEBDRM O=C([O-])c1cc(Nc2cnc3nccn3c2)cc([N+](=O)[O-])c1 ZINC001176678674 816454123 /nfs/dbraw/zinc/45/41/23/816454123.db2.gz XIFORKOEEQPBSU-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000036337523 361841444 /nfs/dbraw/zinc/84/14/44/361841444.db2.gz KFTJLDKVWQCYNB-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c([C@H]2CCOC2)cc1=O ZINC000601941408 346934696 /nfs/dbraw/zinc/93/46/96/346934696.db2.gz WCVJDWXGXYZDLQ-JTQLQIEISA-N -1 0 289.291 2.032 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000601942205 346935280 /nfs/dbraw/zinc/93/52/80/346935280.db2.gz HVVBAPVZAHGFCR-LBPRGKRZSA-N -1 0 289.291 2.031 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)S1 ZINC000075179329 343840311 /nfs/dbraw/zinc/84/03/11/343840311.db2.gz DCQMTYXGJAEILW-DTORHVGOSA-N -1 0 296.348 2.266 20 5 CEBDRM CN(CCc1nccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093843721 344230417 /nfs/dbraw/zinc/23/04/17/344230417.db2.gz ZMZBHYJYTNBOLF-UHFFFAOYSA-N -1 0 293.348 2.431 20 5 CEBDRM O=C(NC[C@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000121072620 344301415 /nfs/dbraw/zinc/30/14/15/344301415.db2.gz XWSOCUMBWFUSAD-LLVKDONJSA-N -1 0 298.298 2.370 20 5 CEBDRM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000137090163 344386704 /nfs/dbraw/zinc/38/67/04/344386704.db2.gz ZAMZADRWABNJTL-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C([O-])CC[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226761295 344551301 /nfs/dbraw/zinc/55/13/01/344551301.db2.gz IPGKGVUANILZQB-MRVPVSSYSA-N -1 0 285.325 2.133 20 5 CEBDRM CC[C@H](Nc1cc(OC)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000227855208 344556944 /nfs/dbraw/zinc/55/69/44/344556944.db2.gz AZARQWGFMPHHFS-ZETCQYMHSA-N -1 0 272.232 2.018 20 5 CEBDRM CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000323867176 344753755 /nfs/dbraw/zinc/75/37/55/344753755.db2.gz HQAWHNHKDBDSON-LBPRGKRZSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000403619962 344876205 /nfs/dbraw/zinc/87/62/05/344876205.db2.gz KTOCEEGSVUCHEL-INTQDDNPSA-N -1 0 276.292 2.219 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000403619135 344876227 /nfs/dbraw/zinc/87/62/27/344876227.db2.gz KPOVYGDWJODZQJ-OPRDCNLKSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(NCC2(CO)CCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592971255 345417260 /nfs/dbraw/zinc/41/72/60/345417260.db2.gz OHPGFDHHMFFDRF-UHFFFAOYSA-N -1 0 294.307 2.176 20 5 CEBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1csnn1 ZINC000593034616 345426476 /nfs/dbraw/zinc/42/64/76/345426476.db2.gz NNJGBCMJVMZPLS-ZETCQYMHSA-N -1 0 280.309 2.003 20 5 CEBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069213 345433013 /nfs/dbraw/zinc/43/30/13/345433013.db2.gz HVJILYMEVKELLR-LBPRGKRZSA-N -1 0 280.324 2.301 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(F)F ZINC000592827172 345401202 /nfs/dbraw/zinc/40/12/02/345401202.db2.gz XHLOCTGTVSCYHJ-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593760809 345533829 /nfs/dbraw/zinc/53/38/29/345533829.db2.gz FSTWWNMLEYQETR-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM O=C(NCCCC1CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000594404120 345622064 /nfs/dbraw/zinc/62/20/64/345622064.db2.gz SGLJFBPXAIDBDK-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@H]1CCC[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000594737174 345682251 /nfs/dbraw/zinc/68/22/51/345682251.db2.gz XZFJGJBDKFOMJL-WPRPVWTQSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C([O-])[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595993898 345921879 /nfs/dbraw/zinc/92/18/79/345921879.db2.gz IJNLXRXTEZZWIB-LBPRGKRZSA-N -1 0 292.291 2.424 20 5 CEBDRM Cc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000061834494 362689958 /nfs/dbraw/zinc/68/99/58/362689958.db2.gz KELQWDAOOSMQLD-QMMMGPOBSA-N -1 0 280.280 2.343 20 5 CEBDRM C[C@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061835149 362692000 /nfs/dbraw/zinc/69/20/00/362692000.db2.gz DNGSWBUBFZXNJW-UWVGGRQHSA-N -1 0 294.307 2.273 20 5 CEBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000598234086 346312874 /nfs/dbraw/zinc/31/28/74/346312874.db2.gz QNGXJEAXPFCFII-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000598382684 346342856 /nfs/dbraw/zinc/34/28/56/346342856.db2.gz ZRHRSAOEAKYDLV-ZDUSSCGKSA-N -1 0 278.308 2.465 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598388586 346344222 /nfs/dbraw/zinc/34/42/22/346344222.db2.gz ZYAWJPNQRLABDP-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OCC ZINC000600174254 346614352 /nfs/dbraw/zinc/61/43/52/346614352.db2.gz JVDOKGHHPOIPGZ-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM CO[C@H]1C[C@@H](CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000600677955 346672140 /nfs/dbraw/zinc/67/21/40/346672140.db2.gz FBWMMLYMWGBAET-JGZJWPJOSA-N -1 0 294.307 2.438 20 5 CEBDRM CCCCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876768 346702645 /nfs/dbraw/zinc/70/26/45/346702645.db2.gz OZTMMHXZJWRLME-CQSZACIVSA-N -1 0 294.307 2.201 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCCn2nccc21 ZINC000601173923 346777683 /nfs/dbraw/zinc/77/76/83/346777683.db2.gz MLRQHRMTYUSARM-LBPRGKRZSA-N -1 0 288.307 2.122 20 5 CEBDRM CC(C)C1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000611559330 347794621 /nfs/dbraw/zinc/79/46/21/347794621.db2.gz IMPBFMJWCSSEFO-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM O=C(NCCc1ccsc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000339358919 215120010 /nfs/dbraw/zinc/12/00/10/215120010.db2.gz NTJWKIRMGIMHBC-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(O)c(F)c1 ZINC000613517905 348063423 /nfs/dbraw/zinc/06/34/23/348063423.db2.gz USQBDZLSFVWMAL-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM COc1cc(NCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000070200169 363055553 /nfs/dbraw/zinc/05/55/53/363055553.db2.gz IQBCVSZASIIHJV-UHFFFAOYSA-N -1 0 268.269 2.270 20 5 CEBDRM CCCC[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137090305 187892972 /nfs/dbraw/zinc/89/29/72/187892972.db2.gz OIRKDLZAWAOPPL-GFCCVEGCSA-N -1 0 294.307 2.276 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000262122065 283115646 /nfs/dbraw/zinc/11/56/46/283115646.db2.gz MIDAPLODAJRYOT-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000570094052 299237896 /nfs/dbraw/zinc/23/78/96/299237896.db2.gz YTVSUZMYDIAAPY-HZMBPMFUSA-N -1 0 292.335 2.446 20 5 CEBDRM O=C([O-])c1cnc(N2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000570519444 299261877 /nfs/dbraw/zinc/26/18/77/299261877.db2.gz FHQUTABWGDOVGA-JTQLQIEISA-N -1 0 291.307 2.314 20 5 CEBDRM CCCC[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137090267 366535035 /nfs/dbraw/zinc/53/50/35/366535035.db2.gz OIRKDLZAWAOPPL-LBPRGKRZSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000579012008 366582120 /nfs/dbraw/zinc/58/21/20/366582120.db2.gz XMHNZSJCJXKXBR-IUCAKERBSA-N -1 0 282.271 2.311 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1cc[nH]n1 ZINC000339133768 366668645 /nfs/dbraw/zinc/66/86/45/366668645.db2.gz OUWFJNRFUIKEDN-AWEZNQCLSA-N -1 0 288.307 2.361 20 5 CEBDRM CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179525299 189199803 /nfs/dbraw/zinc/19/98/03/189199803.db2.gz QHTFPOQCVVHPLK-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(C[C@@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180775505 189274616 /nfs/dbraw/zinc/27/46/16/189274616.db2.gz PBIDDJULWHYRIP-JTQLQIEISA-N -1 0 280.280 2.198 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006224169 361336586 /nfs/dbraw/zinc/33/65/86/361336586.db2.gz UYESJBWVSXLQHH-KCJUWKMLSA-N -1 0 295.295 2.216 20 5 CEBDRM CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1C ZINC000581827591 366825633 /nfs/dbraw/zinc/82/56/33/366825633.db2.gz WGWZKFQNZZMZTD-TVQRCGJNSA-N -1 0 294.307 2.154 20 5 CEBDRM Cc1cc(C(=O)NCCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000019270565 361524421 /nfs/dbraw/zinc/52/44/21/361524421.db2.gz UFSNPAFCDQMOLU-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM O=C([O-])CCCCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000019479070 361537761 /nfs/dbraw/zinc/53/77/61/361537761.db2.gz QGNPWMMDONKYDM-UHFFFAOYSA-N -1 0 294.307 2.360 20 5 CEBDRM CC[C@H](C)[C@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356561539 370756193 /nfs/dbraw/zinc/75/61/93/370756193.db2.gz CTFPPCUZNJQTKV-UFBFGSQYSA-N -1 0 282.296 2.300 20 5 CEBDRM CC[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000119096399 365216520 /nfs/dbraw/zinc/21/65/20/365216520.db2.gz NUMBZESBSTZRKH-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM COCCN(CC(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159998447 366964293 /nfs/dbraw/zinc/96/42/93/366964293.db2.gz VRQKIEMSCBDLQA-UHFFFAOYSA-N -1 0 296.323 2.045 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164544586 367288451 /nfs/dbraw/zinc/28/84/51/367288451.db2.gz KRJIKIIDCVZFDG-SCZZXKLOSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)n1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000343635180 367929950 /nfs/dbraw/zinc/92/99/50/367929950.db2.gz OYUKWERQUSTOEL-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CCO[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186071128 368914406 /nfs/dbraw/zinc/91/44/06/368914406.db2.gz AWVPMWHVWHVNFE-LURJTMIESA-N -1 0 288.687 2.317 20 5 CEBDRM CCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187355303 369143380 /nfs/dbraw/zinc/14/33/80/369143380.db2.gz GZNYJXFHCZLBMJ-UHFFFAOYSA-N -1 0 274.223 2.028 20 5 CEBDRM C[C@@H]1CCSCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000190041935 369591006 /nfs/dbraw/zinc/59/10/06/369591006.db2.gz MJMPRPXUEJOQKZ-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM CSC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000194608120 370057140 /nfs/dbraw/zinc/05/71/40/370057140.db2.gz AOKAGJYJJRYHAB-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262731387 371902744 /nfs/dbraw/zinc/90/27/44/371902744.db2.gz HHPREDSNDMEUIE-RKDXNWHRSA-N -1 0 292.291 2.164 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272630604 373590648 /nfs/dbraw/zinc/59/06/48/373590648.db2.gz BBLMZNFETWMEAB-VHSXEESVSA-N -1 0 278.308 2.419 20 5 CEBDRM CO[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000272667554 373606941 /nfs/dbraw/zinc/60/69/41/373606941.db2.gz JLFWVJZPXIUKCH-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000277659348 374598047 /nfs/dbraw/zinc/59/80/47/374598047.db2.gz ZBGGTRACYUDJID-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000379474816 375152401 /nfs/dbraw/zinc/15/24/01/375152401.db2.gz YNUHIVPGIBVDDG-MRVPVSSYSA-N -1 0 297.336 2.020 20 5 CEBDRM CC[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000388752475 375294886 /nfs/dbraw/zinc/29/48/86/375294886.db2.gz MSYUKTYBNOANKI-SECBINFHSA-N -1 0 268.269 2.130 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280844739 375340898 /nfs/dbraw/zinc/34/08/98/375340898.db2.gz VJEFUOUDCXPGRO-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000290602413 376848936 /nfs/dbraw/zinc/84/89/36/376848936.db2.gz JMUYNVZEVFNLNG-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CCn1cc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000549844479 380611958 /nfs/dbraw/zinc/61/19/58/380611958.db2.gz WGRIUIISZNNHTE-UHFFFAOYSA-N -1 0 290.323 2.149 20 5 CEBDRM CC(C)CCOCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280967861 195050574 /nfs/dbraw/zinc/05/05/74/195050574.db2.gz OBIBEDDLNPYPIA-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CO[C@H](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000583443587 322547245 /nfs/dbraw/zinc/54/72/45/322547245.db2.gz VIOKFMMOAJLQDP-SECBINFHSA-N -1 0 282.296 2.438 20 5 CEBDRM C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000281256959 195170035 /nfs/dbraw/zinc/17/00/35/195170035.db2.gz QNYLHTSTLFXVEZ-DTWKUNHWSA-N -1 0 292.291 2.244 20 5 CEBDRM O=C([O-])c1cnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000036912303 304275184 /nfs/dbraw/zinc/27/51/84/304275184.db2.gz MGZKEYFJHPBVRO-UHFFFAOYSA-N -1 0 250.235 2.417 20 5 CEBDRM O=C([O-])[C@H]1CCCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000080986952 177745192 /nfs/dbraw/zinc/74/51/92/177745192.db2.gz FGKHDHSYKJIMES-GFCCVEGCSA-N -1 0 292.291 2.064 20 5 CEBDRM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000094291040 184776831 /nfs/dbraw/zinc/77/68/31/184776831.db2.gz QBBSBWJSAXLCNE-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000421905896 394635157 /nfs/dbraw/zinc/63/51/57/394635157.db2.gz AMZHTWATEAGBRJ-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM O=C(NCCc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130274810 394884939 /nfs/dbraw/zinc/88/49/39/394884939.db2.gz KIWUFOJIOXYJAO-UHFFFAOYSA-N -1 0 286.287 2.273 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CCO)c1ccco1 ZINC000339097823 394943279 /nfs/dbraw/zinc/94/32/79/394943279.db2.gz WKZMICOABYQDDJ-LBPRGKRZSA-N -1 0 292.291 2.107 20 5 CEBDRM C[C@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000286872601 395030866 /nfs/dbraw/zinc/03/08/66/395030866.db2.gz NPBPLYJUIATPBN-SSDOTTSWSA-N -1 0 296.718 2.001 20 5 CEBDRM Cc1noc(C)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436956723 395166885 /nfs/dbraw/zinc/16/68/85/395166885.db2.gz OSLCSSIJKVRICL-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM CO[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000436990009 395170916 /nfs/dbraw/zinc/17/09/16/395170916.db2.gz NXLQAFWOXTUQSR-JTQLQIEISA-N -1 0 296.323 2.186 20 5 CEBDRM CCOC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000191431443 395358454 /nfs/dbraw/zinc/35/84/54/395358454.db2.gz MPXBVTFLVAQDGC-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM O=c1[n-]c(SCc2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000446075417 395483621 /nfs/dbraw/zinc/48/36/21/395483621.db2.gz YJHFHUPLXHAUAF-UHFFFAOYSA-N -1 0 286.700 2.364 20 5 CEBDRM C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000189795226 153109182 /nfs/dbraw/zinc/10/91/82/153109182.db2.gz AKFZUWUAERZSFF-WPRPVWTQSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@@H]1CC[C@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343821713 296747258 /nfs/dbraw/zinc/74/72/58/296747258.db2.gz YJPBMIOJNFBWGS-LDYMZIIASA-N -1 0 274.280 2.277 20 5 CEBDRM O=C([O-])c1cc(NCc2ccccn2)ccc1[N+](=O)[O-] ZINC000019845178 170893451 /nfs/dbraw/zinc/89/34/51/170893451.db2.gz RBMBPYAFOHBVMG-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(C(=O)[O-])c1 ZINC000020215462 171077782 /nfs/dbraw/zinc/07/77/82/171077782.db2.gz MZCDZNFMRZIUSF-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022291876 171384297 /nfs/dbraw/zinc/38/42/97/171384297.db2.gz PWEVUOPJONYTOG-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=C([O-])C1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000037561797 173272639 /nfs/dbraw/zinc/27/26/39/173272639.db2.gz LSDSHDKAGOGKGO-UHFFFAOYSA-N -1 0 265.269 2.045 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042161426 174644508 /nfs/dbraw/zinc/64/45/08/174644508.db2.gz OCWLGRLZQUGYIR-LLVKDONJSA-N -1 0 293.279 2.066 20 5 CEBDRM Cc1ccc(N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000042704338 174846967 /nfs/dbraw/zinc/84/69/67/174846967.db2.gz ZAVPLPURXVZNQP-VIFPVBQESA-N -1 0 252.270 2.060 20 5 CEBDRM O=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184592511 262287898 /nfs/dbraw/zinc/28/78/98/262287898.db2.gz RVXQVJKPDLPWGF-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C[C@@H]1CC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000398119298 270356722 /nfs/dbraw/zinc/35/67/22/270356722.db2.gz AHVXUWJXORHPCC-PSASIEDQSA-N -1 0 280.280 2.272 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000160278359 280095862 /nfs/dbraw/zinc/09/58/62/280095862.db2.gz GHIVAKLNHIKQSS-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM COCCC(C)(C)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000234716960 280220666 /nfs/dbraw/zinc/22/06/66/280220666.db2.gz GGXSFOFIWHABGI-UHFFFAOYSA-N -1 0 297.311 2.163 20 5 CEBDRM CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000424376456 281153860 /nfs/dbraw/zinc/15/38/60/281153860.db2.gz PGKSBSSZHVRRSZ-QMMMGPOBSA-N -1 0 285.275 2.288 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444469105 281607264 /nfs/dbraw/zinc/60/72/64/281607264.db2.gz SNYVGZGEEIRZKK-WCBMZHEXSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(CC(=O)[N-]OC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000271818667 289479387 /nfs/dbraw/zinc/47/93/87/289479387.db2.gz VKRFWNWDPOJBRE-UHFFFAOYSA-N -1 0 293.323 2.021 20 5 CEBDRM O=C(/C=C\c1cscn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492318057 290602901 /nfs/dbraw/zinc/60/29/01/290602901.db2.gz HOOVBLMXEJLQTJ-RJRFIUFISA-N -1 0 291.288 2.409 20 5 CEBDRM COc1cc(N2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1F ZINC000111611440 294994199 /nfs/dbraw/zinc/99/41/99/294994199.db2.gz ZGFJNKWRNSAXQN-MRVPVSSYSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000263282200 297216692 /nfs/dbraw/zinc/21/66/92/297216692.db2.gz XMVNVLGSZWSHKU-RKDXNWHRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C([O-])C1(CNc2ncccc2[N+](=O)[O-])CCCCC1 ZINC000165667637 297463531 /nfs/dbraw/zinc/46/35/31/297463531.db2.gz PYBNNOWWZVCFGS-UHFFFAOYSA-N -1 0 279.296 2.437 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000281115002 304550863 /nfs/dbraw/zinc/55/08/63/304550863.db2.gz XCLPJEFOMMIKKG-NXEZZACHSA-N -1 0 276.292 2.173 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)(C)C ZINC000566622348 299009199 /nfs/dbraw/zinc/00/91/99/299009199.db2.gz SSKWNBGCHDXGPO-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000567085324 299038081 /nfs/dbraw/zinc/03/80/81/299038081.db2.gz ZYMQHUOJKLEQRF-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000412696669 303841287 /nfs/dbraw/zinc/84/12/87/303841287.db2.gz VDNCTKKEGKFVLX-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM CO[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000573254072 314148751 /nfs/dbraw/zinc/14/87/51/314148751.db2.gz PJDFZIFRIFVGFY-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577066782 314338147 /nfs/dbraw/zinc/33/81/47/314338147.db2.gz NMTDOBHKETVEFH-MNOVXSKESA-N -1 0 294.307 2.173 20 5 CEBDRM Cc1ccc(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000183909671 321723584 /nfs/dbraw/zinc/72/35/84/321723584.db2.gz NJJGUAKKHDQCOB-UHFFFAOYSA-N -1 0 287.275 2.185 20 5 CEBDRM C[C@@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CCS1 ZINC000379471002 321826009 /nfs/dbraw/zinc/82/60/09/321826009.db2.gz QKEQHTIIMZNOBN-MRVPVSSYSA-N -1 0 297.336 2.020 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000383414204 321847792 /nfs/dbraw/zinc/84/77/92/321847792.db2.gz LUSMRHJWUXQESJ-VIFPVBQESA-N -1 0 280.280 2.274 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000580567548 322327081 /nfs/dbraw/zinc/32/70/81/322327081.db2.gz CWOIPJLKQFPEDE-UWVGGRQHSA-N -1 0 282.271 2.311 20 5 CEBDRM CC[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000582847131 322507411 /nfs/dbraw/zinc/50/74/11/322507411.db2.gz AWXXRHSJIALAIE-ONGXEEELSA-N -1 0 294.307 2.297 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1OCc1ccoc1C(=O)[O-] ZINC000050504941 522984597 /nfs/dbraw/zinc/98/45/97/522984597.db2.gz RTODGLHLRDAHKU-UHFFFAOYSA-N -1 0 293.231 2.474 20 5 CEBDRM O=C([N-]c1cnoc1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000061685466 527493344 /nfs/dbraw/zinc/49/33/44/527493344.db2.gz CGDQZLBWWIIDGH-UHFFFAOYSA-N -1 0 269.163 2.113 20 5 CEBDRM O=C([O-])CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000050924040 527575415 /nfs/dbraw/zinc/57/54/15/527575415.db2.gz GJOBJRIHARELOA-UHFFFAOYSA-N -1 0 279.296 2.071 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000158800789 529326498 /nfs/dbraw/zinc/32/64/98/529326498.db2.gz IXEANGDOADYGNP-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000737711261 574473257 /nfs/dbraw/zinc/47/32/57/574473257.db2.gz DCUTVBARIISHIB-ZCFIWIBFSA-N -1 0 295.272 2.439 20 5 CEBDRM CCOCCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737164426 574813720 /nfs/dbraw/zinc/81/37/20/574813720.db2.gz PIWSTHKSFYEXSL-UHFFFAOYSA-N -1 0 296.279 2.048 20 5 CEBDRM Cc1c(C(=O)OCCCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000738192552 574853631 /nfs/dbraw/zinc/85/36/31/574853631.db2.gz YGWNCTMHKNWLNS-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739194560 574899222 /nfs/dbraw/zinc/89/92/22/574899222.db2.gz PPJSGJWGPOWTAX-NXEZZACHSA-N -1 0 279.296 2.077 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NCC[C@@H](C)NC(=O)[O-] ZINC000740174913 574946628 /nfs/dbraw/zinc/94/66/28/574946628.db2.gz ONPVKJNNCMMKAV-SECBINFHSA-N -1 0 267.285 2.361 20 5 CEBDRM O=C([O-])N(CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000740488164 574956155 /nfs/dbraw/zinc/95/61/55/574956155.db2.gz FZMSVKPIWVJUCY-UHFFFAOYSA-N -1 0 265.269 2.149 20 5 CEBDRM Cc1csc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000744310234 575118520 /nfs/dbraw/zinc/11/85/20/575118520.db2.gz UJRARMJOAJJQBM-UHFFFAOYSA-N -1 0 267.266 2.045 20 5 CEBDRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165127153 600559007 /nfs/dbraw/zinc/55/90/07/600559007.db2.gz AMUXFLYKINLWAG-UHFFFAOYSA-N -1 0 298.270 2.059 20 5 CEBDRM O=C([O-])c1cc(OCC2CCC2)ccc1[N+](=O)[O-] ZINC000236476851 600838041 /nfs/dbraw/zinc/83/80/41/600838041.db2.gz QEGUSRKSFXLAON-UHFFFAOYSA-N -1 0 251.238 2.472 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)[O-])C1 ZINC000831813268 601200098 /nfs/dbraw/zinc/20/00/98/601200098.db2.gz WESDERKEYSYCQW-JTQLQIEISA-N -1 0 294.307 2.042 20 5 CEBDRM O=C([O-])[C@@]1(F)CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000833175661 601379634 /nfs/dbraw/zinc/37/96/34/601379634.db2.gz JWTHEFITEWCPLU-LLVKDONJSA-N -1 0 288.662 2.251 20 5 CEBDRM O=C([O-])C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000165322017 601600374 /nfs/dbraw/zinc/60/03/74/601600374.db2.gz BLTOSTZFZSHQMS-UHFFFAOYSA-N -1 0 298.320 2.031 20 5 CEBDRM O=C([O-])c1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000833353405 601997467 /nfs/dbraw/zinc/99/74/67/601997467.db2.gz SQCUGFJFQYZIKC-UHFFFAOYSA-N -1 0 297.244 2.305 20 5 CEBDRM Cc1cnc(NC[C@@H]2CCCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634094 603207506 /nfs/dbraw/zinc/20/75/06/603207506.db2.gz JJEVXNRRIOHOPP-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H](C)NC(=O)[O-] ZINC000829997388 603222137 /nfs/dbraw/zinc/22/21/37/603222137.db2.gz NMTPMDAOMBVGID-VIFPVBQESA-N -1 0 295.295 2.196 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC(CNC(=O)[O-])CC1 ZINC000830137381 603443147 /nfs/dbraw/zinc/44/31/47/603443147.db2.gz AMRWJNDATOMCCZ-UHFFFAOYSA-N -1 0 293.323 2.387 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C(=O)[O-])C1 ZINC000830138193 603445555 /nfs/dbraw/zinc/44/55/55/603445555.db2.gz NKLJSLLZJMPNKQ-SECBINFHSA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1nc(N[C@H]2CCC[C@@H]2CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830775575 604442701 /nfs/dbraw/zinc/44/27/01/604442701.db2.gz QDYNVZOPIYWOBH-ZJUUUORDSA-N -1 0 294.311 2.146 20 5 CEBDRM Cc1nc(N[C@H]2CCCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830775738 604442715 /nfs/dbraw/zinc/44/27/15/604442715.db2.gz SCXCOFDXUBXVOW-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000042162150 604469818 /nfs/dbraw/zinc/46/98/18/604469818.db2.gz PNUNXOUYDBWUQY-VIFPVBQESA-N -1 0 268.244 2.177 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])s1)C1(C(=O)[O-])CCCC1 ZINC000312834471 604712609 /nfs/dbraw/zinc/71/26/09/604712609.db2.gz DRKXSDQWPYISKA-UHFFFAOYSA-N -1 0 298.320 2.126 20 5 CEBDRM Cc1cc(N2CC[C@H](NC(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC000830077766 605907618 /nfs/dbraw/zinc/90/76/18/605907618.db2.gz GKWLZLYBLJQWCX-QMMMGPOBSA-N -1 0 299.714 2.403 20 5 CEBDRM Cc1sc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000262606678 624258485 /nfs/dbraw/zinc/25/84/85/624258485.db2.gz KOBBHVLFJOEMEH-ZCFIWIBFSA-N -1 0 298.320 2.042 20 5 CEBDRM O=C([O-])CN(CC1CC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000236421583 625934732 /nfs/dbraw/zinc/93/47/32/625934732.db2.gz WRQAULMQGVMDDP-UHFFFAOYSA-N -1 0 286.234 2.174 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162699693 628481247 /nfs/dbraw/zinc/48/12/47/628481247.db2.gz QTZCKCGYTIQUJJ-CQSZACIVSA-N -1 0 293.323 2.379 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000162696809 628482840 /nfs/dbraw/zinc/48/28/40/628482840.db2.gz ZPAOHPYGLIPLND-LLVKDONJSA-N -1 0 293.323 2.379 20 5 CEBDRM C[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@@H]1CCCCO1 ZINC000893505630 628659984 /nfs/dbraw/zinc/65/99/84/628659984.db2.gz ORVZLBVIEOCCGN-KOLCDFICSA-N -1 0 282.296 2.285 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CC(C)C)C(=O)[O-] ZINC000261623288 628950947 /nfs/dbraw/zinc/95/09/47/628950947.db2.gz AHUXAISDCUORPV-VIFPVBQESA-N -1 0 284.316 2.031 20 5 CEBDRM CC[C@H](C)CO[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000794863479 629340921 /nfs/dbraw/zinc/34/09/21/629340921.db2.gz ILSYAVWMCRNAAX-NSHDSACASA-N -1 0 295.339 2.125 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000148360449 631095413 /nfs/dbraw/zinc/09/54/13/631095413.db2.gz HAUKTDHCNSHTFK-VIFPVBQESA-N -1 0 299.714 2.477 20 5 CEBDRM COC1(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)CCC1 ZINC000809055203 632043460 /nfs/dbraw/zinc/04/34/60/632043460.db2.gz MLNTWCIXIUHYTC-UHFFFAOYSA-N -1 0 268.269 2.039 20 5 CEBDRM CO[C@@H](C)c1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000899350134 632799207 /nfs/dbraw/zinc/79/92/07/632799207.db2.gz VEDNIEKZFFJLGL-VIFPVBQESA-N -1 0 277.280 2.031 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000830474173 637080033 /nfs/dbraw/zinc/08/00/33/637080033.db2.gz JNIYLHQATYAZER-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000834689633 637920199 /nfs/dbraw/zinc/92/01/99/637920199.db2.gz TUWQQINDRQVFIN-WCBMZHEXSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@@H](C)C2CC2)n1 ZINC000910339384 638005638 /nfs/dbraw/zinc/00/56/38/638005638.db2.gz ASUKBIUMYYUMNR-QMMMGPOBSA-N -1 0 279.296 2.231 20 5 CEBDRM CCN(CC1CC1)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910356701 638014082 /nfs/dbraw/zinc/01/40/82/638014082.db2.gz GOHVOFOPADHBIM-UHFFFAOYSA-N -1 0 279.296 2.233 20 5 CEBDRM C[C@H](OCC1CC1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837471610 639243285 /nfs/dbraw/zinc/24/32/85/639243285.db2.gz RFQNVBKJKXASIU-VIFPVBQESA-N -1 0 295.291 2.159 20 5 CEBDRM O=C(/C=C\C1CC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837551045 639278570 /nfs/dbraw/zinc/27/85/70/639278570.db2.gz UCPFYLGRRBJXHN-UTCJRWHESA-N -1 0 263.249 2.310 20 5 CEBDRM CC1(C)C[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837593868 639299482 /nfs/dbraw/zinc/29/94/82/639299482.db2.gz ZIVLLAHJSDYOQO-SNVBAGLBSA-N -1 0 265.265 2.390 20 5 CEBDRM O=C(CSC1CC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837873852 639427191 /nfs/dbraw/zinc/42/71/91/639427191.db2.gz HBVVGTPZMACQQJ-UHFFFAOYSA-N -1 0 283.305 2.239 20 5 CEBDRM O=Cc1c[nH]nc1C=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000157276011 639479037 /nfs/dbraw/zinc/47/90/37/639479037.db2.gz QUQOTHFPQZKGIR-HNQUOIGGSA-N -1 0 259.221 2.006 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000062875090 639792525 /nfs/dbraw/zinc/79/25/25/639792525.db2.gz HMLWUJWVROZKAX-ZDUSSCGKSA-N -1 0 279.296 2.071 20 5 CEBDRM CCCO[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000844083212 640599007 /nfs/dbraw/zinc/59/90/07/640599007.db2.gz MDBDJBXSWYXZPB-UHFFFAOYSA-N -1 0 277.280 2.007 20 5 CEBDRM CCCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000844088119 640603183 /nfs/dbraw/zinc/60/31/83/640603183.db2.gz OESJJJAMXGKXHS-UHFFFAOYSA-N -1 0 284.287 2.469 20 5 CEBDRM CC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC000844217572 640635027 /nfs/dbraw/zinc/63/50/27/640635027.db2.gz GPRHJYOGQCCWTF-KCJUWKMLSA-N -1 0 292.291 2.097 20 5 CEBDRM CO[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000920123848 641118561 /nfs/dbraw/zinc/11/85/61/641118561.db2.gz JFPFSCHBKICQTC-DTWKUNHWSA-N -1 0 268.269 2.037 20 5 CEBDRM C[C@@H]1CSCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000889920358 641247862 /nfs/dbraw/zinc/24/78/62/641247862.db2.gz XQQUTWWQWDKFCV-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000849348961 642340603 /nfs/dbraw/zinc/34/06/03/642340603.db2.gz WXOWMRKCIWEFKM-SECBINFHSA-N -1 0 279.296 2.090 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc[nH]1 ZINC000760959608 645218060 /nfs/dbraw/zinc/21/80/60/645218060.db2.gz UPVOWUCZLVBSDT-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2nccn21 ZINC000770858456 646446962 /nfs/dbraw/zinc/44/69/62/646446962.db2.gz TWHXJYMZBOUFKA-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CC1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C(C)(C)O1 ZINC000783151366 647683400 /nfs/dbraw/zinc/68/34/00/647683400.db2.gz CCWKEHUUCURACM-VIFPVBQESA-N -1 0 282.296 2.426 20 5 CEBDRM Cc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1Cl ZINC000790974028 648466114 /nfs/dbraw/zinc/46/61/14/648466114.db2.gz OJJIVHCPISMEEQ-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000869599636 648528149 /nfs/dbraw/zinc/52/81/49/648528149.db2.gz CWCGYVFANRJQNQ-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000794401308 648862807 /nfs/dbraw/zinc/86/28/07/648862807.db2.gz CFXURJUKFHLXQB-SNVBAGLBSA-N -1 0 292.291 2.098 20 5 CEBDRM CCCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000130515293 652273411 /nfs/dbraw/zinc/27/34/11/652273411.db2.gz QGMBOGPBZLMMRJ-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM O=C([O-])[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000693029051 802553382 /nfs/dbraw/zinc/55/33/82/802553382.db2.gz VGDNFYBYELIRLT-FKQCQYRASA-N -1 0 254.217 2.009 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000693503481 802990939 /nfs/dbraw/zinc/99/09/39/802990939.db2.gz PMNGQMOGYHGXNY-SKDRFNHKSA-N -1 0 264.281 2.142 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000715970345 814999343 /nfs/dbraw/zinc/99/93/43/814999343.db2.gz AYJGCAOCTMWOGQ-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(OCCCc1cccnc1)c1ccc([N+](=O)[O-])[n-]1 ZINC001122706659 815438145 /nfs/dbraw/zinc/43/81/45/815438145.db2.gz MFJGKCJYDIYPAS-UHFFFAOYSA-N -1 0 275.264 2.108 20 5 CEBDRM Cc1c(F)cc([N+](=O)[O-])cc1NCc1cc(=O)[n-]o1 ZINC001169490445 811549522 /nfs/dbraw/zinc/54/95/22/811549522.db2.gz IOEHWWRZJGTFML-UHFFFAOYSA-N -1 0 267.216 2.348 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000693025287 814616658 /nfs/dbraw/zinc/61/66/58/814616658.db2.gz HZJMAKHXGQNCDF-KYZUINATSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084553 361808298 /nfs/dbraw/zinc/80/82/98/361808298.db2.gz FXRFBGLXPHSCEA-UHFFFAOYSA-N -1 0 261.237 2.030 20 5 CEBDRM CN(C[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042278330 362077273 /nfs/dbraw/zinc/07/72/73/362077273.db2.gz ZAFCUBDNJMVYGL-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000031421172 343408622 /nfs/dbraw/zinc/40/86/22/343408622.db2.gz PZTBIYYYMGCAGM-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM CCN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044383833 343470726 /nfs/dbraw/zinc/47/07/26/343470726.db2.gz XFQUOIOVMHXOJL-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM CCO[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000044412833 343471299 /nfs/dbraw/zinc/47/12/99/343471299.db2.gz ZRPNEPNLTCWCRD-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM CCO[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546481 344194804 /nfs/dbraw/zinc/19/48/04/344194804.db2.gz ZTKSQEAKWFUMTH-LLVKDONJSA-N -1 0 268.269 2.054 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000133732927 344370331 /nfs/dbraw/zinc/37/03/31/344370331.db2.gz GUVNYKFEOJCHTK-SNVBAGLBSA-N -1 0 282.296 2.372 20 5 CEBDRM C[C@@]1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCCS1 ZINC000162460985 344467295 /nfs/dbraw/zinc/46/72/95/344467295.db2.gz GIEDUTQHMQHUPX-LBPRGKRZSA-N -1 0 297.336 2.386 20 5 CEBDRM CC(C)CCOCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166738255 344476752 /nfs/dbraw/zinc/47/67/52/344476752.db2.gz XCJZAFCNWHCUPZ-UHFFFAOYSA-N -1 0 297.311 2.163 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000403619944 344876161 /nfs/dbraw/zinc/87/61/61/344876161.db2.gz KTOCEEGSVUCHEL-FBIMIBRVSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@H]1CC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000584843960 344992631 /nfs/dbraw/zinc/99/26/31/344992631.db2.gz XKNKLPKTYCCKKO-GXSJLCMTSA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000592420594 345351041 /nfs/dbraw/zinc/35/10/41/345351041.db2.gz FJNYPIUFARRTRF-APPZFPTMSA-N -1 0 299.714 2.190 20 5 CEBDRM CCC(=O)c1ccc(N[C@@H](CC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592420352 345351097 /nfs/dbraw/zinc/35/10/97/345351097.db2.gz BDMKNYSVYFTIEX-VIFPVBQESA-N -1 0 280.280 2.463 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000592902420 345413783 /nfs/dbraw/zinc/41/37/83/345413783.db2.gz GDECTDHNGNARAU-FXPVBKGRSA-N -1 0 276.292 2.219 20 5 CEBDRM COCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592964028 345416874 /nfs/dbraw/zinc/41/68/74/345416874.db2.gz XEVYLDVSRQBVNN-UHFFFAOYSA-N -1 0 268.269 2.050 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000593924929 345552950 /nfs/dbraw/zinc/55/29/50/345552950.db2.gz LQAFTQIEKVENQI-NSHDSACASA-N -1 0 294.307 2.147 20 5 CEBDRM COCC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000593947142 345555178 /nfs/dbraw/zinc/55/51/78/345555178.db2.gz OSVNLXVKIZJFGM-UHFFFAOYSA-N -1 0 294.307 2.060 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000594546806 345645986 /nfs/dbraw/zinc/64/59/86/345645986.db2.gz XVYGFICKQKFXCK-VIFPVBQESA-N -1 0 297.311 2.076 20 5 CEBDRM CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000597443855 346186906 /nfs/dbraw/zinc/18/69/06/346186906.db2.gz YPQXOJBIEDYDTB-GFCCVEGCSA-N -1 0 280.280 2.054 20 5 CEBDRM CC[C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597975737 346261656 /nfs/dbraw/zinc/26/16/56/346261656.db2.gz MOWHNIKEJHZQAK-VIFPVBQESA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1(F)F ZINC000598215523 346307639 /nfs/dbraw/zinc/30/76/39/346307639.db2.gz LXPCYEAQIDNZHR-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM CCSC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000598328554 346327677 /nfs/dbraw/zinc/32/76/77/346327677.db2.gz HZMZXTKAQSGHSN-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CCSC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000598332749 346329429 /nfs/dbraw/zinc/32/94/29/346329429.db2.gz MJLMSPKZTSCKMA-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000062874350 362728601 /nfs/dbraw/zinc/72/86/01/362728601.db2.gz YHCFAJUSUAALLB-ZDUSSCGKSA-N -1 0 264.281 2.286 20 5 CEBDRM C[C@]1(C(=O)[O-])CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000062874440 362728685 /nfs/dbraw/zinc/72/86/85/362728685.db2.gz HEQDCXANAQIOCT-ZDUSSCGKSA-N -1 0 264.281 2.286 20 5 CEBDRM Cc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000063489279 362767548 /nfs/dbraw/zinc/76/75/48/362767548.db2.gz DWMIMGIWHBKQKQ-UHFFFAOYSA-N -1 0 251.198 2.045 20 5 CEBDRM O=C([O-])c1ccnc(N2CCCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000600678242 346671820 /nfs/dbraw/zinc/67/18/20/346671820.db2.gz HBVNNQAORXATDT-UHFFFAOYSA-N -1 0 291.307 2.459 20 5 CEBDRM CC[C@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880324 346703087 /nfs/dbraw/zinc/70/30/87/346703087.db2.gz ZCTIBVAEBXURBJ-XPTSAGLGSA-N -1 0 294.307 2.057 20 5 CEBDRM C[C@H]1C[C@H]1c1n[n-]c(=NCc2cccc([N+](=O)[O-])c2)o1 ZINC000601065203 346742359 /nfs/dbraw/zinc/74/23/59/346742359.db2.gz XEFGIWVIHGZBAC-GZMMTYOYSA-N -1 0 274.280 2.135 20 5 CEBDRM O=[N+]([O-])c1ccccc1CN=c1[n-]c(C2CCC2)no1 ZINC000450254987 282527643 /nfs/dbraw/zinc/52/76/43/282527643.db2.gz XIZGBPSJQARTIS-UHFFFAOYSA-N -1 0 274.280 2.279 20 5 CEBDRM Cc1occc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534664 347792019 /nfs/dbraw/zinc/79/20/19/347792019.db2.gz BNCABVXXIQKUAD-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM O=C(CCC(F)F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000619441190 349182422 /nfs/dbraw/zinc/18/24/22/349182422.db2.gz LZZYMMHXVGZCME-UHFFFAOYSA-N -1 0 260.196 2.284 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130463517 365959600 /nfs/dbraw/zinc/95/96/00/365959600.db2.gz AVTCICCKFMJTAV-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM Cc1cc(SC[C@H](C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026657 180308307 /nfs/dbraw/zinc/30/83/07/180308307.db2.gz DMRBZSXAAGAGRE-ZETCQYMHSA-N -1 0 256.283 2.111 20 5 CEBDRM O=C([N-]c1nncs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110187344 304022732 /nfs/dbraw/zinc/02/27/32/304022732.db2.gz WBOPVNZFBVJGEV-UHFFFAOYSA-N -1 0 284.684 2.352 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1SCCS1 ZINC000271595739 191231337 /nfs/dbraw/zinc/23/13/37/191231337.db2.gz TVRACELTSNVMRQ-UHFFFAOYSA-N -1 0 286.334 2.045 20 5 CEBDRM CN(CCC1CC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000154001916 188117368 /nfs/dbraw/zinc/11/73/68/188117368.db2.gz SNHCQVXWWAOYBA-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(CC1CCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155975028 188238280 /nfs/dbraw/zinc/23/82/80/188238280.db2.gz AQNXQJQOFHZGBV-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CC[C@H](OC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000273591195 192219853 /nfs/dbraw/zinc/21/98/53/192219853.db2.gz LNZUPTLETKHBHZ-VIFPVBQESA-N -1 0 288.687 2.317 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000079482153 363606732 /nfs/dbraw/zinc/60/67/32/363606732.db2.gz QMOVRMPBKPCQFR-ZDUSSCGKSA-N -1 0 293.279 2.066 20 5 CEBDRM COCC[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000570931034 299286578 /nfs/dbraw/zinc/28/65/78/299286578.db2.gz BPNQXPATLIQDEB-SECBINFHSA-N -1 0 282.296 2.378 20 5 CEBDRM O=C([O-])c1cnc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000579235880 366614414 /nfs/dbraw/zinc/61/44/14/366614414.db2.gz MGNITUXUPOUQIQ-FKTZTGRPSA-N -1 0 277.280 2.289 20 5 CEBDRM O=C([O-])c1cc(NCCc2ccccn2)ccc1[N+](=O)[O-] ZINC000019845357 361561524 /nfs/dbraw/zinc/56/15/24/361561524.db2.gz BGQAQGFOHKEVMD-UHFFFAOYSA-N -1 0 287.275 2.343 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccn1 ZINC000025405637 361624915 /nfs/dbraw/zinc/62/49/15/361624915.db2.gz KWZWCCTXSRXQMX-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CSC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531164 363977985 /nfs/dbraw/zinc/97/79/85/363977985.db2.gz CBMUZLHNYSVRMO-ZETCQYMHSA-N -1 0 270.310 2.238 20 5 CEBDRM O=C(N[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158188305 366854286 /nfs/dbraw/zinc/85/42/86/366854286.db2.gz BXQWKPSUVPHBKS-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM CC[C@H](Sc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] ZINC000097824151 364521123 /nfs/dbraw/zinc/52/11/23/364521123.db2.gz VGHAYUPXTBKHRL-QMMMGPOBSA-N -1 0 256.283 2.254 20 5 CEBDRM CCOCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000582065225 366858205 /nfs/dbraw/zinc/85/82/05/366858205.db2.gz DZSVEGXRBCDFBH-UHFFFAOYSA-N -1 0 282.296 2.440 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124704848 304122793 /nfs/dbraw/zinc/12/27/93/304122793.db2.gz DUKXLKRVJKBRBU-SSDOTTSWSA-N -1 0 270.672 2.159 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000062132908 304122951 /nfs/dbraw/zinc/12/29/51/304122951.db2.gz SKWBABMOPKGXER-SECBINFHSA-N -1 0 287.275 2.054 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164086033 367276078 /nfs/dbraw/zinc/27/60/78/367276078.db2.gz ADQUEINQYDHZOS-MRVPVSSYSA-N -1 0 252.270 2.075 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC(C2CCC2)C1 ZINC000341342766 367294792 /nfs/dbraw/zinc/29/47/92/367294792.db2.gz PRMKARRVUYFJLJ-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM COCCC[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166181366 367319614 /nfs/dbraw/zinc/31/96/14/367319614.db2.gz OZMYMANYBCJIBZ-VIFPVBQESA-N -1 0 282.296 2.302 20 5 CEBDRM O=C(Nc1ccccc1O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346255369 368609260 /nfs/dbraw/zinc/60/92/60/368609260.db2.gz QYDVXFDRWRPMSP-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM Cc1occc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183898257 368656216 /nfs/dbraw/zinc/65/62/16/368656216.db2.gz BGNYAXRBWZOABD-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649458 368752068 /nfs/dbraw/zinc/75/20/68/368752068.db2.gz HTJFFZFGXXOBIX-GWCFXTLKSA-N -1 0 296.348 2.343 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cscn3)no2)cc1[O-] ZINC000350572113 369549265 /nfs/dbraw/zinc/54/92/65/369549265.db2.gz ZQTMYAPYAWATAE-UHFFFAOYSA-N -1 0 290.260 2.474 20 5 CEBDRM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000195405054 370128350 /nfs/dbraw/zinc/12/83/50/370128350.db2.gz HSNJFMKDCPONTI-LURJTMIESA-N -1 0 294.288 2.012 20 5 CEBDRM CCOC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000233762077 370523252 /nfs/dbraw/zinc/52/32/52/370523252.db2.gz LRKWGEFPEDAOBJ-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])o1 ZINC000355571154 370604118 /nfs/dbraw/zinc/60/41/18/370604118.db2.gz RYWHZCCGRDJAOO-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000332017566 204392381 /nfs/dbraw/zinc/39/23/81/204392381.db2.gz VCPFKUYVHAPQBN-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1=O ZINC000361660548 372010012 /nfs/dbraw/zinc/01/00/12/372010012.db2.gz KZPMHZKAJDPXKN-DTWKUNHWSA-N -1 0 292.291 2.244 20 5 CEBDRM CC(C)C1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272703313 373622087 /nfs/dbraw/zinc/62/20/87/373622087.db2.gz VEAAXTXMEHTQFD-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000274650634 373998465 /nfs/dbraw/zinc/99/84/65/373998465.db2.gz CAOXASKWJPVQFT-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM O=C(NCC1CCSCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274695480 374014351 /nfs/dbraw/zinc/01/43/51/374014351.db2.gz RWOYTGQMRGMETK-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM CS[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000383235985 321846525 /nfs/dbraw/zinc/84/65/25/321846525.db2.gz RSZJNGOOGBOQOI-VIFPVBQESA-N -1 0 282.321 2.235 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162629 375419889 /nfs/dbraw/zinc/41/98/89/375419889.db2.gz YEEGILZWAKMBCD-RKDXNWHRSA-N -1 0 264.281 2.313 20 5 CEBDRM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000282846205 375592700 /nfs/dbraw/zinc/59/27/00/375592700.db2.gz VYEKYEAAGAGUGO-DNSOKLHBSA-N -1 0 280.280 2.052 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)CC(=O)[O-] ZINC000563450933 377229653 /nfs/dbraw/zinc/22/96/53/377229653.db2.gz VHDFOVHRIRZJRG-SNVBAGLBSA-N -1 0 294.307 2.147 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000427675879 377434021 /nfs/dbraw/zinc/43/40/21/377434021.db2.gz BIVHOCFLQZEZHC-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000427676512 377434197 /nfs/dbraw/zinc/43/41/97/377434197.db2.gz AIFZFAQRHALFQJ-UHFFFAOYSA-N -1 0 298.298 2.499 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OC ZINC000295322584 378105471 /nfs/dbraw/zinc/10/54/71/378105471.db2.gz BDOVQRPHRRXATN-RNCFNFMXSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574991763 299546643 /nfs/dbraw/zinc/54/66/43/299546643.db2.gz IICSLYXEBJQEOE-PELKAZGASA-N -1 0 282.296 2.112 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130293515 296382109 /nfs/dbraw/zinc/38/21/09/296382109.db2.gz PFYLYFKRYPKROT-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM CCCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000191660663 130272495 /nfs/dbraw/zinc/27/24/95/130272495.db2.gz SMGLDMMTDMTZKC-UHFFFAOYSA-N -1 0 292.291 2.308 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263558284 131297427 /nfs/dbraw/zinc/29/74/27/131297427.db2.gz AEIGDSJKZFNPLR-JTQLQIEISA-N -1 0 294.307 2.065 20 5 CEBDRM Cc1cccc(N2CC[C@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000235928427 394485224 /nfs/dbraw/zinc/48/52/24/394485224.db2.gz NGQRQTVTOUXZID-ZDUSSCGKSA-N -1 0 264.281 2.204 20 5 CEBDRM CC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000421909359 394635776 /nfs/dbraw/zinc/63/57/76/394635776.db2.gz GSKUKJKEPCPGQU-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436672440 395142915 /nfs/dbraw/zinc/14/29/15/395142915.db2.gz YVIOWFUPOIZYCO-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436673601 395143087 /nfs/dbraw/zinc/14/30/87/395143087.db2.gz RNFAGBFDXBNWCD-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436991789 395170992 /nfs/dbraw/zinc/17/09/92/395170992.db2.gz UIKSEVFUINEBET-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM Cc1cc(N(C)C2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000519613333 395197738 /nfs/dbraw/zinc/19/77/38/395197738.db2.gz XFZFDEIZWSIPHC-UHFFFAOYSA-N -1 0 294.307 2.217 20 5 CEBDRM CC(=O)c1cc(NC[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000519699626 395209855 /nfs/dbraw/zinc/20/98/55/395209855.db2.gz HIZAKSDJFYWTDY-QMMMGPOBSA-N -1 0 280.280 2.320 20 5 CEBDRM O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194741980 395447405 /nfs/dbraw/zinc/44/74/05/395447405.db2.gz JCRRNANDQBGUIE-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM Cc1cc[nH]c1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000436107208 395409018 /nfs/dbraw/zinc/40/90/18/395409018.db2.gz VWRQXGJEJLFULL-UHFFFAOYSA-N -1 0 261.237 2.189 20 5 CEBDRM CCN(CC(C)(C)O)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572964355 395596160 /nfs/dbraw/zinc/59/61/60/395596160.db2.gz ICDBUUXIFHHYDT-UHFFFAOYSA-N -1 0 296.323 2.199 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573122402 395601016 /nfs/dbraw/zinc/60/10/16/395601016.db2.gz GMAAHGHUTCFQFA-RKDXNWHRSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458256678 395640096 /nfs/dbraw/zinc/64/00/96/395640096.db2.gz LPJKZWVNLMQOOA-MIMYLULJSA-N -1 0 276.292 2.219 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1[O-] ZINC000458266908 395640569 /nfs/dbraw/zinc/64/05/69/395640569.db2.gz XEJTUIDFVDCIRM-DVVUODLYSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(N2CCO[C@@H](C)[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578239909 395665020 /nfs/dbraw/zinc/66/50/20/395665020.db2.gz YRYLNSDAMYKGDS-UWVGGRQHSA-N -1 0 294.307 2.215 20 5 CEBDRM CSCCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316553 153298190 /nfs/dbraw/zinc/29/81/90/153298190.db2.gz GLYLERDTMHFPEV-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000231901641 153411691 /nfs/dbraw/zinc/41/16/91/153411691.db2.gz HDUUZMYJSPXNGY-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000263316836 154054764 /nfs/dbraw/zinc/05/47/64/154054764.db2.gz ZFIOUCKDIKPDMR-AAOUONPWSA-N -1 0 292.291 2.052 20 5 CEBDRM O=C([O-])c1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000019482842 170810378 /nfs/dbraw/zinc/81/03/78/170810378.db2.gz MGKAPBYSTHBTGO-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000228788926 270312577 /nfs/dbraw/zinc/31/25/77/270312577.db2.gz FUFTZYBKXWEZJA-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000231693040 260224233 /nfs/dbraw/zinc/22/42/33/260224233.db2.gz YRRGJPSTTUSULL-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000430220135 271364468 /nfs/dbraw/zinc/36/44/68/271364468.db2.gz BMNQAARCQVVEMU-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000121325277 279768518 /nfs/dbraw/zinc/76/85/18/279768518.db2.gz VGRNAOQSPKEQJR-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C([O-])[C@@H]1CC12CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000405430278 289293388 /nfs/dbraw/zinc/29/33/88/289293388.db2.gz JPEURGWJGPYVOT-JTQLQIEISA-N -1 0 276.292 2.286 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)[C@@H](C)O1 ZINC000339112769 297030286 /nfs/dbraw/zinc/03/02/86/297030286.db2.gz TVDRYMZGWOLAQF-GMTAPVOTSA-N -1 0 280.324 2.298 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000263134873 297216861 /nfs/dbraw/zinc/21/68/61/297216861.db2.gz GFWORRWSMVXVSP-HTQZYQBOSA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1cc(N[C@H](C)CCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565660092 298916117 /nfs/dbraw/zinc/91/61/17/298916117.db2.gz JEBJSXUPFKWITD-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@@H](CN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)[O-] ZINC000520811782 313121692 /nfs/dbraw/zinc/12/16/92/313121692.db2.gz UQNNLJJWRIWYER-VIFPVBQESA-N -1 0 293.323 2.026 20 5 CEBDRM C[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000566290378 313864022 /nfs/dbraw/zinc/86/40/22/313864022.db2.gz GYQHKHGHBZHRMU-DIYOJNKTSA-N -1 0 295.295 2.056 20 5 CEBDRM CO[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000567592155 313909408 /nfs/dbraw/zinc/90/94/08/313909408.db2.gz QVONIPQBOZLNQX-MRVPVSSYSA-N -1 0 268.269 2.048 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(C(F)F)CC2)n1 ZINC000576589137 314291100 /nfs/dbraw/zinc/29/11/00/314291100.db2.gz ZGENVUPKIKJLTH-UHFFFAOYSA-N -1 0 287.222 2.145 20 5 CEBDRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576876114 314318881 /nfs/dbraw/zinc/31/88/81/314318881.db2.gz QAMUUZJPTHEMPW-JOYOIKCWSA-N -1 0 294.307 2.129 20 5 CEBDRM O=C([O-])Cc1ccc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000578511214 314488023 /nfs/dbraw/zinc/48/80/23/314488023.db2.gz LAUBGRDJEJZUDK-UHFFFAOYSA-N -1 0 286.234 2.432 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000578830489 314519965 /nfs/dbraw/zinc/51/99/65/314519965.db2.gz CSBCLXWAGJNATJ-MVZIDQBPSA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1ncccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183904055 321723645 /nfs/dbraw/zinc/72/36/45/321723645.db2.gz AQZUTMNSJYWMQA-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCSC2)n1 ZINC000384032960 321850160 /nfs/dbraw/zinc/85/01/60/321850160.db2.gz CTXNTVUBOUTOPG-MRVPVSSYSA-N -1 0 297.336 2.243 20 5 CEBDRM CCOc1cc(OCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000582665780 322492279 /nfs/dbraw/zinc/49/22/79/322492279.db2.gz AMOUTAZDQCQYEQ-UHFFFAOYSA-N -1 0 269.253 2.237 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000582668954 322492834 /nfs/dbraw/zinc/49/28/34/322492834.db2.gz RJZUAVFOFBDUFF-UHFFFAOYSA-N -1 0 271.294 2.308 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000182833898 522612123 /nfs/dbraw/zinc/61/21/23/522612123.db2.gz GFDIFPVCKJXXOJ-VIFPVBQESA-N -1 0 284.337 2.172 20 5 CEBDRM CC[C@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000182911559 523367976 /nfs/dbraw/zinc/36/79/76/523367976.db2.gz XPOLUOSGKYGKQE-ONGXEEELSA-N -1 0 294.307 2.444 20 5 CEBDRM C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000054334915 524755336 /nfs/dbraw/zinc/75/53/36/524755336.db2.gz IKODXUFFZZIDKQ-LURJTMIESA-N -1 0 258.661 2.381 20 5 CEBDRM CC(C)CCOCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157689912 527758350 /nfs/dbraw/zinc/75/83/50/527758350.db2.gz IKMIWMJNMYLKGK-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC(C)OCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736485293 574790097 /nfs/dbraw/zinc/79/00/97/574790097.db2.gz YKCFQEXKOLIIJD-UHFFFAOYSA-N -1 0 296.279 2.047 20 5 CEBDRM C[C@@H](CSc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000736616928 574793142 /nfs/dbraw/zinc/79/31/42/574793142.db2.gz DIMGTTCRRXRGEU-ZETCQYMHSA-N -1 0 281.293 2.055 20 5 CEBDRM O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N[C@H]1CC=CCC1 ZINC000738360782 574859193 /nfs/dbraw/zinc/85/91/93/574859193.db2.gz YTGSQTSQURIUTK-JTQLQIEISA-N -1 0 286.295 2.296 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738746911 574876285 /nfs/dbraw/zinc/87/62/85/574876285.db2.gz NMTDRPYLTZEEKG-SNVBAGLBSA-N -1 0 279.296 2.458 20 5 CEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000738790362 574878723 /nfs/dbraw/zinc/87/87/23/574878723.db2.gz PVYIGNODDGLXOD-NSHDSACASA-N -1 0 267.285 2.299 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000739589053 574927902 /nfs/dbraw/zinc/92/79/02/574927902.db2.gz VGYPSKJSOSIBKG-QMMMGPOBSA-N -1 0 285.325 2.235 20 5 CEBDRM CN(C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739663949 574930376 /nfs/dbraw/zinc/93/03/76/574930376.db2.gz DGXIIFLHZUKVNQ-SECBINFHSA-N -1 0 299.352 2.088 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000739927231 574936755 /nfs/dbraw/zinc/93/67/55/574936755.db2.gz FEUNMINGHHFEEC-SECBINFHSA-N -1 0 265.269 2.149 20 5 CEBDRM Cc1cc(N2CC[C@H](CN(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740078275 574941436 /nfs/dbraw/zinc/94/14/36/574941436.db2.gz RVEUBKDGSYJVCU-LLVKDONJSA-N -1 0 293.323 2.339 20 5 CEBDRM O=C([O-])N1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000740515769 574957491 /nfs/dbraw/zinc/95/74/91/574957491.db2.gz UCJNOWZYKMAGBG-MRVPVSSYSA-N -1 0 285.325 2.458 20 5 CEBDRM Cc1cc(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ncn1 ZINC000217319681 600523437 /nfs/dbraw/zinc/52/34/37/600523437.db2.gz LKXSJQQYVVGHKR-UHFFFAOYSA-N -1 0 275.220 2.184 20 5 CEBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000111471759 601147106 /nfs/dbraw/zinc/14/71/06/601147106.db2.gz ABFRBHJWCSYTSE-UWVGGRQHSA-N -1 0 292.291 2.424 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)[O-])C1 ZINC000037115759 601200000 /nfs/dbraw/zinc/20/00/00/601200000.db2.gz JTVFTVICBGTCLY-JTQLQIEISA-N -1 0 264.281 2.204 20 5 CEBDRM C/C(=C/COC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000825781188 601407444 /nfs/dbraw/zinc/40/74/44/601407444.db2.gz RPJRWTBWNAONOD-YVMONPNESA-N -1 0 279.248 2.091 20 5 CEBDRM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827942081 601438433 /nfs/dbraw/zinc/43/84/33/601438433.db2.gz OTOUYLCRFIJEID-ZANVPECISA-N -1 0 282.271 2.154 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](F)(C(=O)[O-])C1 ZINC000827949733 601442304 /nfs/dbraw/zinc/44/23/04/601442304.db2.gz OETKTHWAZNMUAH-TVQRCGJNSA-N -1 0 282.271 2.154 20 5 CEBDRM O=C([O-])c1ccc(OCC[C@H]2CCCC2=O)c([N+](=O)[O-])c1 ZINC000833321815 601473249 /nfs/dbraw/zinc/47/32/49/601473249.db2.gz OBABPTZYRMIULQ-SECBINFHSA-N -1 0 293.275 2.431 20 5 CEBDRM Cc1sc(C(=O)[O-])cc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000833033392 601675247 /nfs/dbraw/zinc/67/52/47/601675247.db2.gz GFKKIEKAAMFTFB-UHFFFAOYSA-N -1 0 281.293 2.216 20 5 CEBDRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000827324752 602186764 /nfs/dbraw/zinc/18/67/64/602186764.db2.gz KQWGIMGVZMJSQG-DTWKUNHWSA-N -1 0 281.264 2.310 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000737938851 602529024 /nfs/dbraw/zinc/52/90/24/602529024.db2.gz IRBGKGXOVOEOMU-UHFFFAOYSA-N -1 0 297.286 2.313 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1C(=O)[O-] ZINC000826082048 603192799 /nfs/dbraw/zinc/19/27/99/603192799.db2.gz IKFCSVMYMZLTCY-QMMMGPOBSA-N -1 0 299.714 2.437 20 5 CEBDRM Cc1cnc(NC[C@H]2CCCCN2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634095 603207451 /nfs/dbraw/zinc/20/74/51/603207451.db2.gz JJEVXNRRIOHOPP-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)[O-] ZINC000739451632 603395371 /nfs/dbraw/zinc/39/53/71/603395371.db2.gz GYRHYEVVNHEJGA-UHFFFAOYSA-N -1 0 292.251 2.145 20 5 CEBDRM CC(C)(CNc1ccc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000824011390 603519211 /nfs/dbraw/zinc/51/92/11/603519211.db2.gz KKWZHLKLMYBMIO-UHFFFAOYSA-N -1 0 271.248 2.192 20 5 CEBDRM CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000824011570 603521222 /nfs/dbraw/zinc/52/12/22/603521222.db2.gz UGCZJMXBXJORGH-UHFFFAOYSA-N -1 0 271.248 2.192 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)NC(=O)[O-])c1 ZINC000830426695 603549879 /nfs/dbraw/zinc/54/98/79/603549879.db2.gz ADZNGFNLRYMDPB-SECBINFHSA-N -1 0 267.285 2.361 20 5 CEBDRM Cc1cc(N[C@@H](CNC(=O)[O-])CC(C)C)ncc1[N+](=O)[O-] ZINC000830116706 603890086 /nfs/dbraw/zinc/89/00/86/603890086.db2.gz LPKOOQNLEIWPAX-SNVBAGLBSA-N -1 0 296.327 2.392 20 5 CEBDRM C[C@@H](OC(=O)C[C@H](C)NC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000824721402 603978300 /nfs/dbraw/zinc/97/83/00/603978300.db2.gz SHGBTUHZQRNUHC-DTWKUNHWSA-N -1 0 296.279 2.245 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000827900032 604220921 /nfs/dbraw/zinc/22/09/21/604220921.db2.gz NKCKWXZZMZWGHC-SECBINFHSA-N -1 0 299.714 2.437 20 5 CEBDRM Cc1nc(NC[C@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000830775612 604442601 /nfs/dbraw/zinc/44/26/01/604442601.db2.gz QHHPDGLVLCJFIL-VIFPVBQESA-N -1 0 282.300 2.002 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000042162170 604470453 /nfs/dbraw/zinc/47/04/53/604470453.db2.gz XYVYCVJPEHUCSL-NSHDSACASA-N -1 0 250.254 2.038 20 5 CEBDRM O=C([O-])c1ccc(OCC2(O)CCCCC2)c([N+](=O)[O-])c1 ZINC000087458641 604533442 /nfs/dbraw/zinc/53/34/42/604533442.db2.gz JMGAJSGBRVDCCC-UHFFFAOYSA-N -1 0 295.291 2.367 20 5 CEBDRM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[N+](=O)[O-] ZINC000833694553 604536117 /nfs/dbraw/zinc/53/61/17/604536117.db2.gz MCAFFDTYOSIKDW-UHFFFAOYSA-N -1 0 289.291 2.253 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(NCCCCC(=O)[O-])c1 ZINC000820770824 604825264 /nfs/dbraw/zinc/82/52/64/604825264.db2.gz LKSGCAZVJKBNLG-UHFFFAOYSA-N -1 0 286.259 2.409 20 5 CEBDRM CCN(CCCNc1nc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000827129462 604860916 /nfs/dbraw/zinc/86/09/16/604860916.db2.gz JEDWMJREPGZODG-UHFFFAOYSA-N -1 0 282.300 2.100 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830426794 604882398 /nfs/dbraw/zinc/88/23/98/604882398.db2.gz BIWAEXPIENIELI-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000251808378 605212681 /nfs/dbraw/zinc/21/26/81/605212681.db2.gz OHSXOPFCMJVUSP-GZMMTYOYSA-N -1 0 298.726 2.401 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000833814954 605494551 /nfs/dbraw/zinc/49/45/51/605494551.db2.gz DTYKXDQNWQAPRI-ZJUUUORDSA-N -1 0 279.296 2.077 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000833819767 605496592 /nfs/dbraw/zinc/49/65/92/605496592.db2.gz VHXDEOZNNQDOKR-HTQZYQBOSA-N -1 0 285.325 2.139 20 5 CEBDRM CCOc1cc(N(C)CCN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861038 605506847 /nfs/dbraw/zinc/50/68/47/605506847.db2.gz FHQVRFSWEIJHTR-UHFFFAOYSA-N -1 0 297.311 2.040 20 5 CEBDRM O=C([O-])NC[C@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000834222479 605646053 /nfs/dbraw/zinc/64/60/53/605646053.db2.gz YFNMXHINRKRHIP-SNVBAGLBSA-N -1 0 297.286 2.360 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1 ZINC000833907554 605865405 /nfs/dbraw/zinc/86/54/05/605865405.db2.gz MAGSUCSFRFCSMJ-WDEREUQCSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])NC[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000834214977 605950280 /nfs/dbraw/zinc/95/02/80/605950280.db2.gz KAQCQVNFDFVUDG-SECBINFHSA-N -1 0 297.286 2.218 20 5 CEBDRM CCCn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000179522292 625567069 /nfs/dbraw/zinc/56/70/69/625567069.db2.gz FSDCUGOYNNOPCN-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM C[C@@H]1[C@@H](C)CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000312407138 628260539 /nfs/dbraw/zinc/26/05/39/628260539.db2.gz FLMYGIFBGBNHJS-DTWKUNHWSA-N -1 0 279.296 2.313 20 5 CEBDRM CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1CCCC1 ZINC000311591613 628762209 /nfs/dbraw/zinc/76/22/09/628762209.db2.gz DDBUTBYLFRHNJX-UHFFFAOYSA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1Cl ZINC000790979315 629230947 /nfs/dbraw/zinc/23/09/47/629230947.db2.gz MHJCGEFRUIAAQO-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM Cc1cc(F)cc(C(=O)N[C@H](C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000237413701 631666634 /nfs/dbraw/zinc/66/66/34/631666634.db2.gz HQBUTHPLPZGZHG-MRVPVSSYSA-N -1 0 298.270 2.025 20 5 CEBDRM Cc1sc(C(=O)N2CCC[C@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000823338568 635143525 /nfs/dbraw/zinc/14/35/25/635143525.db2.gz RNZVZVZYNBVPBF-GFCCVEGCSA-N -1 0 298.320 2.044 20 5 CEBDRM O=C([O-])CC1CC(Nc2sccc2[N+](=O)[O-])C1 ZINC000906152438 636627732 /nfs/dbraw/zinc/62/77/32/636627732.db2.gz QETNTPPXQKYYEX-UHFFFAOYSA-N -1 0 256.283 2.322 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000834650695 637904977 /nfs/dbraw/zinc/90/49/77/637904977.db2.gz QTWBTZJCIVDTDM-IUCAKERBSA-N -1 0 296.348 2.314 20 5 CEBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(F)(F)F ZINC000835652513 638340690 /nfs/dbraw/zinc/34/06/90/638340690.db2.gz RRYGDBYPIDXROL-ZCFIWIBFSA-N -1 0 266.175 2.421 20 5 CEBDRM CSC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835671913 638347625 /nfs/dbraw/zinc/34/76/25/638347625.db2.gz UNIBSWFRABMVGU-ZETCQYMHSA-N -1 0 258.299 2.079 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000911726915 638378870 /nfs/dbraw/zinc/37/88/70/638378870.db2.gz MOGZAVIAXFQFQG-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000837617057 639310073 /nfs/dbraw/zinc/31/00/73/639310073.db2.gz UXYBNBUOENFOKN-ZJUUUORDSA-N -1 0 295.291 2.159 20 5 CEBDRM C[C@H]1COCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837672594 639336192 /nfs/dbraw/zinc/33/61/92/639336192.db2.gz DWQIJKDRWFFWNH-JOYOIKCWSA-N -1 0 295.291 2.016 20 5 CEBDRM O=C([N-]c1cnoc1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000228625414 639648986 /nfs/dbraw/zinc/64/89/86/639648986.db2.gz LLFJQRFWKSQMMD-UHFFFAOYSA-N -1 0 269.163 2.113 20 5 CEBDRM C[C@@H]1C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000844206905 640632289 /nfs/dbraw/zinc/63/22/89/640632289.db2.gz OHMXHTNQZZJTST-PMEPJVLUSA-N -1 0 292.291 2.282 20 5 CEBDRM CC[C@](C)(O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209339 640633053 /nfs/dbraw/zinc/63/30/53/640633053.db2.gz QXRXGRCNYKPOHU-VSKVDJIOSA-N -1 0 294.307 2.266 20 5 CEBDRM O=C(OCc1cccc(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918490058 640962567 /nfs/dbraw/zinc/96/25/67/640962567.db2.gz JBMUECYONNQFKS-UHFFFAOYSA-N -1 0 264.212 2.419 20 5 CEBDRM Cc1nc2c(o1)CCC[C@@H]2OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000847909964 641830749 /nfs/dbraw/zinc/83/07/49/641830749.db2.gz WCVBLVTXVFFZNL-JTQLQIEISA-N -1 0 291.263 2.454 20 5 CEBDRM CSC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000849989607 642535083 /nfs/dbraw/zinc/53/50/83/642535083.db2.gz RBJKKIUEQSEIFM-UHFFFAOYSA-N -1 0 285.321 2.485 20 5 CEBDRM C[C@H](C(=O)[N-]O[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680707 645308265 /nfs/dbraw/zinc/30/82/65/645308265.db2.gz VAFUOIJQMISGTA-GWCFXTLKSA-N -1 0 294.307 2.273 20 5 CEBDRM O=C([O-])C1=CC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000863479933 646738767 /nfs/dbraw/zinc/73/87/67/646738767.db2.gz DVDIPCFRMDSKEG-VIFPVBQESA-N -1 0 289.291 2.148 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC=C(C(=O)[O-])C1 ZINC000863479191 646738818 /nfs/dbraw/zinc/73/88/18/646738818.db2.gz YWETXJOLDSXJDY-JTQLQIEISA-N -1 0 290.275 2.383 20 5 CEBDRM CS[C@H]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780590856 647449568 /nfs/dbraw/zinc/44/95/68/647449568.db2.gz VMABAODXSPSCJO-SKDRFNHKSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000780676782 647458764 /nfs/dbraw/zinc/45/87/64/647458764.db2.gz DXQZJFYTYCINAF-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM Cc1nc(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)ccc1[N+](=O)[O-] ZINC000871868190 649203171 /nfs/dbraw/zinc/20/31/71/649203171.db2.gz VAZORLFQIFAKOM-SMDDNHRTSA-N -1 0 291.307 2.132 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000128502747 806767043 /nfs/dbraw/zinc/76/70/43/806767043.db2.gz JNUDQWADLJXPOJ-BDAKNGLRSA-N -1 0 252.270 2.424 20 5 CEBDRM Cc1cc(C(=O)N(C)C(C)(C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001118751207 810352899 /nfs/dbraw/zinc/35/28/99/810352899.db2.gz CSMYOZXFTIQULZ-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM O=C([O-])c1ccc(N[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001169253036 811465658 /nfs/dbraw/zinc/46/56/58/811465658.db2.gz PIBXQUIISSVGIA-WCBMZHEXSA-N -1 0 280.280 2.008 20 5 CEBDRM O=c1cc(CNc2ccnc3c2cccc3[N+](=O)[O-])o[n-]1 ZINC001169491424 811549220 /nfs/dbraw/zinc/54/92/20/811549220.db2.gz CWINTSHHOYMTSQ-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM Cc1cc(N[C@H](C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000133536301 813087474 /nfs/dbraw/zinc/08/74/74/813087474.db2.gz WEWJXRNLFGPKQE-DTWKUNHWSA-N -1 0 252.270 2.424 20 5 CEBDRM Cc1ncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)n1 ZINC001174503125 816029723 /nfs/dbraw/zinc/02/97/23/816029723.db2.gz DRCRITFUQNBKQS-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM CCc1[nH]nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000163365208 529470252 /nfs/dbraw/zinc/47/02/52/529470252.db2.gz DGCSETZFYNXKMJ-UHFFFAOYSA-N -1 0 290.279 2.147 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031371 362014405 /nfs/dbraw/zinc/01/44/05/362014405.db2.gz DLBPHOVWUSISHZ-PELKAZGASA-N -1 0 294.307 2.132 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031402 362014520 /nfs/dbraw/zinc/01/45/20/362014520.db2.gz NYHSRZVSLDEVLA-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000567980798 299104005 /nfs/dbraw/zinc/10/40/05/299104005.db2.gz NGQLOMGVTHXYID-KOLCDFICSA-N -1 0 294.307 2.297 20 5 CEBDRM CC(C)CCN(C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162377253 344467516 /nfs/dbraw/zinc/46/75/16/344467516.db2.gz UPLLGUKITIVRFM-UHFFFAOYSA-N -1 0 267.285 2.170 20 5 CEBDRM CC(C)CCOCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162405646 344467633 /nfs/dbraw/zinc/46/76/33/344467633.db2.gz DCLGLNKLPCUEEP-UHFFFAOYSA-N -1 0 297.311 2.163 20 5 CEBDRM C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000253064060 344642850 /nfs/dbraw/zinc/64/28/50/344642850.db2.gz HEZKMPVCBWTVBS-RKDXNWHRSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC2(C1)CC(F)(F)C2 ZINC000586800030 345023568 /nfs/dbraw/zinc/02/35/68/345023568.db2.gz QQZFUQDFGKGKMY-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000590552812 345145353 /nfs/dbraw/zinc/14/53/53/345145353.db2.gz CBXCLUWEOBPTID-SECBINFHSA-N -1 0 290.197 2.077 20 5 CEBDRM O=C(Nc1[nH][nH]c2cc(=O)ccc1-2)c1ccc([N+](=O)[O-])cc1 ZINC000590558476 345145377 /nfs/dbraw/zinc/14/53/77/345145377.db2.gz PRLYCMQKQIQYDZ-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C([O-])CCCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000591326765 345240440 /nfs/dbraw/zinc/24/04/40/345240440.db2.gz SXKWMSLMJSPBDU-UHFFFAOYSA-N -1 0 289.291 2.232 20 5 CEBDRM Cc1cc(NC2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969218 345417336 /nfs/dbraw/zinc/41/73/36/345417336.db2.gz GWVGLMYTFZMXDE-UHFFFAOYSA-N -1 0 280.280 2.192 20 5 CEBDRM CCC[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC ZINC000592978198 345417685 /nfs/dbraw/zinc/41/76/85/345417685.db2.gz YMZMTKJWBUZSSD-LLVKDONJSA-N -1 0 296.323 2.449 20 5 CEBDRM Cc1cc(NCC(C)(C)CCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592973989 345417856 /nfs/dbraw/zinc/41/78/56/345417856.db2.gz SFIQUDIMPXKSOI-UHFFFAOYSA-N -1 0 296.323 2.422 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000593760082 345533938 /nfs/dbraw/zinc/53/39/38/345533938.db2.gz MXJKDADSLSUCHX-NWDGAFQWSA-N -1 0 290.319 2.450 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C(=O)[O-] ZINC000593963254 345556870 /nfs/dbraw/zinc/55/68/70/345556870.db2.gz ZTPYHLOWTYTULA-VIFPVBQESA-N -1 0 295.295 2.054 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CCF)C2)n1 ZINC000594735664 345681749 /nfs/dbraw/zinc/68/17/49/345681749.db2.gz MNUHCLSONVZAKC-VIFPVBQESA-N -1 0 297.286 2.264 20 5 CEBDRM O=C(Nc1nc2ccccc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164047272 232261694 /nfs/dbraw/zinc/26/16/94/232261694.db2.gz FCESNTLYZPFUST-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000595970254 345919047 /nfs/dbraw/zinc/91/90/47/345919047.db2.gz VEDPHOWXBIGCQV-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595995872 345921818 /nfs/dbraw/zinc/92/18/18/345921818.db2.gz SWBGZQSAUXMPSW-CYBMUJFWSA-N -1 0 278.264 2.034 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000597666941 346213149 /nfs/dbraw/zinc/21/31/49/346213149.db2.gz TXGXCRNBJFOKAZ-SECBINFHSA-N -1 0 290.197 2.077 20 5 CEBDRM CC(C)(F)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598199759 346303935 /nfs/dbraw/zinc/30/39/35/346303935.db2.gz UIHSTKLUWVVSAK-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598516548 346369556 /nfs/dbraw/zinc/36/95/56/346369556.db2.gz XXBMPFFCOKZYLU-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600171852 346613878 /nfs/dbraw/zinc/61/38/78/346613878.db2.gz XUCAAEJDUYXIAM-MXWKQRLJSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600171853 346613949 /nfs/dbraw/zinc/61/39/49/346613949.db2.gz XUCAAEJDUYXIAM-OUAUKWLOSA-N -1 0 290.319 2.466 20 5 CEBDRM CC[C@H](C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336812736 365852137 /nfs/dbraw/zinc/85/21/37/365852137.db2.gz SEXMHXBCYCVAJX-QMMMGPOBSA-N -1 0 290.316 2.058 20 5 CEBDRM C[C@H]1C[C@@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000601068052 346743136 /nfs/dbraw/zinc/74/31/36/346743136.db2.gz HWRKASILKCRHOX-KWQFWETISA-N -1 0 274.280 2.135 20 5 CEBDRM Cn1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000493384159 290802381 /nfs/dbraw/zinc/80/23/81/290802381.db2.gz INIPVRDLGWEJIL-DJWKRKHSSA-N -1 0 287.275 2.291 20 5 CEBDRM CC(C)c1noc(=NCCOc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000609914384 347655959 /nfs/dbraw/zinc/65/59/59/347655959.db2.gz WOKNAKDENDUMBJ-UHFFFAOYSA-N -1 0 292.295 2.014 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000611559340 347794539 /nfs/dbraw/zinc/79/45/39/347794539.db2.gz JWUXOSYQTCYXPT-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM COc1ccsc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000352013611 219290589 /nfs/dbraw/zinc/29/05/89/219290589.db2.gz KZFKHHSVLPHBAI-NSCUHMNNSA-N -1 0 295.276 2.037 20 5 CEBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)F ZINC000619421812 349176172 /nfs/dbraw/zinc/17/61/72/349176172.db2.gz GQRJVCVLWFNZRE-UHFFFAOYSA-N -1 0 274.223 2.074 20 5 CEBDRM CC[C@H](C)CON=c1[n-]c(C(=O)OC)ccc1[N+](=O)[O-] ZINC000291965978 198120223 /nfs/dbraw/zinc/12/02/23/198120223.db2.gz VRXPWFDDOFNWFJ-QMMMGPOBSA-N -1 0 283.284 2.166 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[C@H]1C(F)F ZINC000338181522 366223927 /nfs/dbraw/zinc/22/39/27/366223927.db2.gz UIEUQQUXFVNORS-RQJHMYQMSA-N -1 0 272.207 2.140 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(CF)CC1 ZINC000452604184 283333313 /nfs/dbraw/zinc/33/33/13/283333313.db2.gz UNBXVESGZSMYFW-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000038027251 304075054 /nfs/dbraw/zinc/07/50/54/304075054.db2.gz XWQJLKPWVPVSSI-LBPRGKRZSA-N -1 0 264.281 2.428 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN(CCO)c1ccccc1 ZINC000339017934 366616003 /nfs/dbraw/zinc/61/60/03/366616003.db2.gz TXIFNTGDSKYBNY-UHFFFAOYSA-N -1 0 288.303 2.299 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@]12CCOC2 ZINC000339173585 366690304 /nfs/dbraw/zinc/69/03/04/366690304.db2.gz SKABDRPSQOMOHE-CQSZACIVSA-N -1 0 278.308 2.055 20 5 CEBDRM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000182088323 189314131 /nfs/dbraw/zinc/31/41/31/189314131.db2.gz PVONUJUWGOGWPW-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000084143133 363799627 /nfs/dbraw/zinc/79/96/27/363799627.db2.gz CKJJCUAAOKYUJY-UHFFFAOYSA-N -1 0 292.291 2.112 20 5 CEBDRM COc1cc(NC[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000087505744 363857769 /nfs/dbraw/zinc/85/77/69/363857769.db2.gz YDUPGYXXZBVASF-JTQLQIEISA-N -1 0 282.296 2.372 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000087489832 363857970 /nfs/dbraw/zinc/85/79/70/363857970.db2.gz XTTPRWGWMPVITR-JTQLQIEISA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1ccnc(NC[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000087508363 363858133 /nfs/dbraw/zinc/85/81/33/363858133.db2.gz FIFHVVVZQMJYNB-SECBINFHSA-N -1 0 267.285 2.067 20 5 CEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000092546522 364080327 /nfs/dbraw/zinc/08/03/27/364080327.db2.gz AWFZHQRPCZHVBX-SECBINFHSA-N -1 0 287.275 2.438 20 5 CEBDRM CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356561528 370755974 /nfs/dbraw/zinc/75/59/74/370755974.db2.gz CTFPPCUZNJQTKV-PRHODGIISA-N -1 0 282.296 2.300 20 5 CEBDRM C[C@H]([N-]C(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000112021921 364769511 /nfs/dbraw/zinc/76/95/11/364769511.db2.gz CCJDKRBIQXGVHS-LURJTMIESA-N -1 0 262.187 2.334 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000263461344 304123109 /nfs/dbraw/zinc/12/31/09/304123109.db2.gz BTEKVJOPFGVBOB-SNVBAGLBSA-N -1 0 287.275 2.054 20 5 CEBDRM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000160264671 366987852 /nfs/dbraw/zinc/98/78/52/366987852.db2.gz FPTFAYDBNWNJIW-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC1(C)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162418850 367158718 /nfs/dbraw/zinc/15/87/18/367158718.db2.gz DKMUKLZRUNHAND-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164544716 367288433 /nfs/dbraw/zinc/28/84/33/367288433.db2.gz KRJIKIIDCVZFDG-WPRPVWTQSA-N -1 0 264.281 2.219 20 5 CEBDRM CCCCCOCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166108586 367317848 /nfs/dbraw/zinc/31/78/48/367317848.db2.gz BZPDFHANIZHHHA-UHFFFAOYSA-N -1 0 282.296 2.446 20 5 CEBDRM C[C@@H](Sc1n[nH]c(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000187635741 369192301 /nfs/dbraw/zinc/19/23/01/369192301.db2.gz KPAIMLPLYVCNQT-ZCFIWIBFSA-N -1 0 266.282 2.272 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NOC[C@H]2CCOC2)c(Cl)c1 ZINC000276278372 193269080 /nfs/dbraw/zinc/26/90/80/193269080.db2.gz WIVTZRZMWDWUFB-ZETCQYMHSA-N -1 0 273.676 2.023 20 5 CEBDRM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)n1 ZINC000191452799 369715536 /nfs/dbraw/zinc/71/55/36/369715536.db2.gz OQVAZSVYNBGZHM-UHFFFAOYSA-N -1 0 296.233 2.342 20 5 CEBDRM COc1cc(NCCCC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000227855177 370386714 /nfs/dbraw/zinc/38/67/14/370386714.db2.gz FROBCAYQGNNESF-UHFFFAOYSA-N -1 0 272.232 2.019 20 5 CEBDRM C[C@@H](CC(=O)[O-])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235063884 370554891 /nfs/dbraw/zinc/55/48/91/370554891.db2.gz MSOOETUDCJWPLF-YFKPBYRVSA-N -1 0 293.201 2.284 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236663922 370605129 /nfs/dbraw/zinc/60/51/29/370605129.db2.gz VBGCKXORPOBJOY-MRVPVSSYSA-N -1 0 280.280 2.067 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272370382 373451918 /nfs/dbraw/zinc/45/19/18/373451918.db2.gz GVFOXQWOEXVZPY-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000345030502 217391248 /nfs/dbraw/zinc/39/12/48/217391248.db2.gz VSBWIWWOQJHXBR-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000272630607 373591660 /nfs/dbraw/zinc/59/16/60/373591660.db2.gz BBLMZNFETWMEAB-ZJUUUORDSA-N -1 0 278.308 2.419 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000275156974 374171220 /nfs/dbraw/zinc/17/12/20/374171220.db2.gz TXAXGIFMZVQKIR-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263511917 304192042 /nfs/dbraw/zinc/19/20/42/304192042.db2.gz NROFXMWZZBTPJF-ZETCQYMHSA-N -1 0 270.672 2.159 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000261707830 190043028 /nfs/dbraw/zinc/04/30/28/190043028.db2.gz OYMCMGMFXYQDBW-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1C ZINC000416325066 376041285 /nfs/dbraw/zinc/04/12/85/376041285.db2.gz RZVTVEBSGQVTSG-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM Cc1cc(NCC2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563887847 377312188 /nfs/dbraw/zinc/31/21/88/377312188.db2.gz CGBFONOBXDRIDP-UHFFFAOYSA-N -1 0 294.307 2.440 20 5 CEBDRM C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000564453516 377394425 /nfs/dbraw/zinc/39/44/25/377394425.db2.gz OMRXTRSGVYTXDW-VXNVDRBHSA-N -1 0 299.714 2.190 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000293800538 377763952 /nfs/dbraw/zinc/76/39/52/377763952.db2.gz SVLLZUWIJSVLCP-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000443375902 378049757 /nfs/dbraw/zinc/04/97/57/378049757.db2.gz USYPYFFKOJXCKO-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OC ZINC000295324566 378106899 /nfs/dbraw/zinc/10/68/99/378106899.db2.gz BDOVQRPHRRXATN-TVQRCGJNSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OC ZINC000295988286 378382725 /nfs/dbraw/zinc/38/27/25/378382725.db2.gz JZWYIUYWAVMTIQ-BXKDBHETSA-N -1 0 296.323 2.091 20 5 CEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000450529482 378461414 /nfs/dbraw/zinc/46/14/14/378461414.db2.gz UOJUSAPQZPURIK-NSHDSACASA-N -1 0 292.291 2.164 20 5 CEBDRM CO[C@H]1CC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000575049221 299552876 /nfs/dbraw/zinc/55/28/76/299552876.db2.gz XTEHKJGEZRDUAX-MNOVXSKESA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184579882 296381295 /nfs/dbraw/zinc/38/12/95/296381295.db2.gz DXSSVCFDYDCXCM-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184610169 262288240 /nfs/dbraw/zinc/28/82/40/262288240.db2.gz CBMBTNZLDHPHEZ-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000094703424 184843935 /nfs/dbraw/zinc/84/39/35/184843935.db2.gz XIMNTKFGXLPSFK-VIFPVBQESA-N -1 0 267.285 2.149 20 5 CEBDRM Cc1cc(N2CCC(CCC(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000092026420 135075161 /nfs/dbraw/zinc/07/51/61/135075161.db2.gz VDTKKOBWOCMNMB-UHFFFAOYSA-N -1 0 293.323 2.379 20 5 CEBDRM CN(CCOCC1CC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000094989732 394672502 /nfs/dbraw/zinc/67/25/02/394672502.db2.gz QVCURNJYXRDREP-UHFFFAOYSA-N -1 0 294.307 2.156 20 5 CEBDRM CCc1nc(SCc2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000436472943 395119672 /nfs/dbraw/zinc/11/96/72/395119672.db2.gz CBGUJKXSIUUSAY-UHFFFAOYSA-N -1 0 280.309 2.273 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436990095 395171034 /nfs/dbraw/zinc/17/10/34/395171034.db2.gz QRWIMWXSBJDKEP-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM CC[C@@H](C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000394337431 395205666 /nfs/dbraw/zinc/20/56/66/395205666.db2.gz ZBOJHHZKVFHQTA-LDYMZIIASA-N -1 0 297.311 2.161 20 5 CEBDRM Cc1cc(N[C@@H](C)CCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565660093 395480250 /nfs/dbraw/zinc/48/02/50/395480250.db2.gz JEBJSXUPFKWITD-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@@H]1COCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574457077 395630409 /nfs/dbraw/zinc/63/04/09/395630409.db2.gz RQFBQTBFOOJBEW-ZJUUUORDSA-N -1 0 294.307 2.378 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263201310 154035188 /nfs/dbraw/zinc/03/51/88/154035188.db2.gz MKLVBIGSURELOG-ONGXEEELSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC(=O)[O-] ZINC000263530125 154117065 /nfs/dbraw/zinc/11/70/65/154117065.db2.gz WBOWMHIFSZHAPA-UHFFFAOYSA-N -1 0 258.661 2.443 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331967040 154215493 /nfs/dbraw/zinc/21/54/93/154215493.db2.gz KUOVLDNICMOIKP-JTQLQIEISA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1ccc(NC(=O)N(C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000037330370 173131663 /nfs/dbraw/zinc/13/16/63/173131663.db2.gz TUQHYQZUHQBDBV-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM Cc1ccc(NC(=O)N(CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000040546327 174325211 /nfs/dbraw/zinc/32/52/11/174325211.db2.gz XGWUDYZBCURJSD-UHFFFAOYSA-N -1 0 295.295 2.230 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccnc1 ZINC000077165964 177228986 /nfs/dbraw/zinc/22/89/86/177228986.db2.gz VXEOPRPXKAFXFR-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000078394329 177337318 /nfs/dbraw/zinc/33/73/18/177337318.db2.gz XDQGIOPQDITEAV-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225801456 270309559 /nfs/dbraw/zinc/30/95/59/270309559.db2.gz FTDWCSVFEZDKKC-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1cnc(C(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000426573771 271225125 /nfs/dbraw/zinc/22/51/25/271225125.db2.gz PVPHOGSKPWCQIS-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1ncsc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968094 271697088 /nfs/dbraw/zinc/69/70/88/271697088.db2.gz SEQGVULGFXHFAG-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cc3n(n2)CCCC3)n1 ZINC000343925056 278665520 /nfs/dbraw/zinc/66/55/20/278665520.db2.gz ABUALGARTICBCX-UHFFFAOYSA-N -1 0 287.323 2.305 20 5 CEBDRM CC[C@@H](C)N(CC(=O)OC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339153694 280102643 /nfs/dbraw/zinc/10/26/43/280102643.db2.gz JEANOEXQEYDIRI-SNVBAGLBSA-N -1 0 296.323 2.074 20 5 CEBDRM CCc1nocc1CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339608599 281575128 /nfs/dbraw/zinc/57/51/28/281575128.db2.gz LCGBWURRZMBKAX-UHFFFAOYSA-N -1 0 291.307 2.483 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280686477 297356074 /nfs/dbraw/zinc/35/60/74/297356074.db2.gz DDFBSRLQLCMWNV-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C)S1 ZINC000543432373 298308657 /nfs/dbraw/zinc/30/86/57/298308657.db2.gz FGZLGRVNYJQDIJ-DTORHVGOSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1ncccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182069303 302714151 /nfs/dbraw/zinc/71/41/51/302714151.db2.gz JOEHWQLZJFXSBD-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM COc1cc(CNc2ccc(F)cn2)cc([N+](=O)[O-])c1[O-] ZINC000181576642 312791491 /nfs/dbraw/zinc/79/14/91/312791491.db2.gz QNYJXAIXQJDCBX-UHFFFAOYSA-N -1 0 293.254 2.455 20 5 CEBDRM Cc1cc(NC[C@](C)(O)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578195515 314454630 /nfs/dbraw/zinc/45/46/30/314454630.db2.gz ASBDUABIEYYTTE-AWEZNQCLSA-N -1 0 296.323 2.420 20 5 CEBDRM CC1CC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000578238557 314460998 /nfs/dbraw/zinc/46/09/98/314460998.db2.gz DYDRDQRAIWXVFS-UHFFFAOYSA-N -1 0 284.699 2.482 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000183916803 321723800 /nfs/dbraw/zinc/72/38/00/321723800.db2.gz PVXHJKPFXOZTKQ-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM Cc1nc([N-]c2cnn(C(C)C)c2)ncc1[N+](=O)[O-] ZINC000580522055 322322763 /nfs/dbraw/zinc/32/27/63/322322763.db2.gz AAZQJSGTQXZTGT-UHFFFAOYSA-N -1 0 262.273 2.214 20 5 CEBDRM CC[C@H](C)CN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000394012153 329094389 /nfs/dbraw/zinc/09/43/89/329094389.db2.gz ACWZASJCZKXBAV-QMMMGPOBSA-N -1 0 267.285 2.170 20 5 CEBDRM O=C([O-])CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000238199764 333382439 /nfs/dbraw/zinc/38/24/39/333382439.db2.gz KYVUVUXDWGSDPK-UHFFFAOYSA-N -1 0 280.283 2.202 20 5 CEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000061609773 526303790 /nfs/dbraw/zinc/30/37/90/526303790.db2.gz HVMHPAWHZREHIE-GFCCVEGCSA-N -1 0 287.275 2.270 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000054297917 527628894 /nfs/dbraw/zinc/62/88/94/527628894.db2.gz JFOJHUVLTLSZOK-VIFPVBQESA-N -1 0 282.271 2.425 20 5 CEBDRM CC(C)OCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180935367 527929265 /nfs/dbraw/zinc/92/92/65/527929265.db2.gz LZFLAMMMKQDOKD-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CCCc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000160312295 528609505 /nfs/dbraw/zinc/60/95/05/528609505.db2.gz LPESRLLCRLKKDS-UHFFFAOYSA-N -1 0 290.279 2.228 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000739927404 574432492 /nfs/dbraw/zinc/43/24/92/574432492.db2.gz HAFUNIXBPHCIHV-SSDOTTSWSA-N -1 0 271.298 2.211 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000738574230 574480240 /nfs/dbraw/zinc/48/02/40/574480240.db2.gz QFSMLVZWCFZSOY-UHFFFAOYSA-N -1 0 273.266 2.068 20 5 CEBDRM O=C([O-])CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000738592316 574484248 /nfs/dbraw/zinc/48/42/48/574484248.db2.gz KVZGBAAHRUPUKU-UHFFFAOYSA-N -1 0 267.266 2.091 20 5 CEBDRM C[C@@H](SCCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000739058309 574891412 /nfs/dbraw/zinc/89/14/12/574891412.db2.gz YQFLGJXAAUKFJK-MRVPVSSYSA-N -1 0 271.294 2.180 20 5 CEBDRM C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739192419 574898719 /nfs/dbraw/zinc/89/87/19/574898719.db2.gz KBQCSKIRSAOHQP-SCZZXKLOSA-N -1 0 297.286 2.216 20 5 CEBDRM C[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739200583 574899473 /nfs/dbraw/zinc/89/94/73/574899473.db2.gz UZJRROXIFMKOOJ-YUMQZZPRSA-N -1 0 285.325 2.233 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739239598 574902241 /nfs/dbraw/zinc/90/22/41/574902241.db2.gz SDBJZEAOJCSZIB-LDYMZIIASA-N -1 0 295.295 2.216 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000739589484 574927910 /nfs/dbraw/zinc/92/79/10/574927910.db2.gz YVKNPKVAPOKENX-JTQLQIEISA-N -1 0 279.296 2.173 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCCCN(C(=O)[O-])C1CC1 ZINC000740100705 574941873 /nfs/dbraw/zinc/94/18/73/574941873.db2.gz WRJSKNKIOCLJIU-UHFFFAOYSA-N -1 0 294.311 2.243 20 5 CEBDRM CC1(C)[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)[C@@H]2CCCO[C@H]21 ZINC000744183042 575116121 /nfs/dbraw/zinc/11/61/21/575116121.db2.gz JBFYQJHKLIGSOI-GGZOMVNGSA-N -1 0 294.307 2.283 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000821524081 597848298 /nfs/dbraw/zinc/84/82/98/597848298.db2.gz RDJZBVSTLZIOIC-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM COCCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000228693296 600376800 /nfs/dbraw/zinc/37/68/00/600376800.db2.gz YTDZRBKAEGJIPB-UHFFFAOYSA-N -1 0 269.253 2.098 20 5 CEBDRM COCCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000228693495 600377351 /nfs/dbraw/zinc/37/73/51/600377351.db2.gz FFNQZQQXHZPEHV-UHFFFAOYSA-N -1 0 269.253 2.098 20 5 CEBDRM CCSCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000228643476 600519282 /nfs/dbraw/zinc/51/92/82/600519282.db2.gz KFSMTXPSRDLDAW-UHFFFAOYSA-N -1 0 271.294 2.425 20 5 CEBDRM C/C(=C\COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC000088629841 600728003 /nfs/dbraw/zinc/72/80/03/600728003.db2.gz KLMPNWBEDUURFA-QPJJXVBHSA-N -1 0 255.201 2.144 20 5 CEBDRM O=C([O-])[C@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000833171132 600834458 /nfs/dbraw/zinc/83/44/58/600834458.db2.gz VRZYVKKEIXPGME-LLVKDONJSA-N -1 0 292.222 2.334 20 5 CEBDRM O=C([O-])c1cc(C(=O)OCC2CCC2)cc([N+](=O)[O-])c1 ZINC000833298534 600961520 /nfs/dbraw/zinc/96/15/20/600961520.db2.gz YNOCUYXXAUXATD-UHFFFAOYSA-N -1 0 279.248 2.250 20 5 CEBDRM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)[O-] ZINC000094240130 600976375 /nfs/dbraw/zinc/97/63/75/600976375.db2.gz WDDIRFYVVAJIKE-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM C/C(=C/COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000825775728 601407283 /nfs/dbraw/zinc/40/72/83/601407283.db2.gz ZKCBKTFAGFZQAY-DAXSKMNVSA-N -1 0 299.666 2.436 20 5 CEBDRM C/C(=C/COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825769003 601426702 /nfs/dbraw/zinc/42/67/02/601426702.db2.gz FODNCFIUWXYXGX-UQCOIBPSSA-N -1 0 299.666 2.436 20 5 CEBDRM Cc1cc(N2C[C@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000223796497 601564082 /nfs/dbraw/zinc/56/40/82/601564082.db2.gz YRRPYSAAARHOSE-ONGXEEELSA-N -1 0 264.281 2.060 20 5 CEBDRM C/C(=C/COC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825763942 601605662 /nfs/dbraw/zinc/60/56/62/601605662.db2.gz AWVSNUODQAUWAX-YFHOEESVSA-N -1 0 293.275 2.102 20 5 CEBDRM O=C([O-])c1occc1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000833346547 601794428 /nfs/dbraw/zinc/79/44/28/601794428.db2.gz RLCMPJDZYOIVIQ-OWOJBTEDSA-N -1 0 260.205 2.451 20 5 CEBDRM COCCN(C)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000831715721 602252991 /nfs/dbraw/zinc/25/29/91/602252991.db2.gz LROISQFXLIUUAS-UHFFFAOYSA-N -1 0 288.687 2.029 20 5 CEBDRM Cn1cnc([N+](=O)[O-])c1Oc1ccc(NC(=O)[O-])cc1 ZINC000831041266 603196561 /nfs/dbraw/zinc/19/65/61/603196561.db2.gz PLWWRNOOWIJEQD-UHFFFAOYSA-N -1 0 278.224 2.211 20 5 CEBDRM O=C([O-])NC1(CC(=O)Oc2cccc([N+](=O)[O-])c2)CCC1 ZINC000832220098 604072434 /nfs/dbraw/zinc/07/24/34/604072434.db2.gz WANOZENUKUXHSR-UHFFFAOYSA-N -1 0 294.263 2.081 20 5 CEBDRM CN(c1cccnc1[N+](=O)[O-])C1CCC(NC(=O)[O-])CC1 ZINC000828441720 604221785 /nfs/dbraw/zinc/22/17/85/604221785.db2.gz SLKGXUAAPFWTMF-UHFFFAOYSA-N -1 0 294.311 2.005 20 5 CEBDRM Cc1nc(NC[C@H]2CCCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830773629 604441380 /nfs/dbraw/zinc/44/13/80/604441380.db2.gz BRHIZCIQEVBVGQ-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM C[C@@H](O)CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827796195 604645212 /nfs/dbraw/zinc/64/52/12/604645212.db2.gz NDFTWFLOFSASQN-ZCFIWIBFSA-N -1 0 288.687 2.129 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc([N+](=O)[O-])c(F)c2)O1 ZINC000833580855 605235717 /nfs/dbraw/zinc/23/57/17/605235717.db2.gz SGJIZNNOERVNMQ-SECBINFHSA-N -1 0 297.238 2.260 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cc(F)cc([N+](=O)[O-])c2)O1 ZINC000833580499 605238486 /nfs/dbraw/zinc/23/84/86/605238486.db2.gz QOLVRLJYKRUVFH-LLVKDONJSA-N -1 0 297.238 2.260 20 5 CEBDRM O=C([O-])NC1(CNc2ccsc2[N+](=O)[O-])CCC1 ZINC000834156415 605363975 /nfs/dbraw/zinc/36/39/75/605363975.db2.gz YSMDEFWZVZFUBB-UHFFFAOYSA-N -1 0 271.298 2.259 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000833818602 605498776 /nfs/dbraw/zinc/49/87/76/605498776.db2.gz QELNCCOKFSSKGL-YUMQZZPRSA-N -1 0 285.325 2.139 20 5 CEBDRM CS[C@@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235061060 624570236 /nfs/dbraw/zinc/57/02/36/624570236.db2.gz ZLWZMUWSUIEXPB-PSASIEDQSA-N -1 0 296.348 2.314 20 5 CEBDRM CS[C@@H]1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000235177603 625007426 /nfs/dbraw/zinc/00/74/26/625007426.db2.gz WIGNODSONVKPAS-JGVFFNPUSA-N -1 0 297.336 2.384 20 5 CEBDRM O=C(O[C@@H]1CCC12CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000821819703 634796542 /nfs/dbraw/zinc/79/65/42/634796542.db2.gz IFDDQHCZECBHPQ-SECBINFHSA-N -1 0 250.254 2.412 20 5 CEBDRM C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000808008158 631905696 /nfs/dbraw/zinc/90/56/96/631905696.db2.gz QUVBKSJUVXYYKA-AOOOYVTPSA-N -1 0 293.323 2.208 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CC12CC2 ZINC000817233144 633601940 /nfs/dbraw/zinc/60/19/40/633601940.db2.gz RPNSPIPQDSEXOL-SNVBAGLBSA-N -1 0 263.249 2.144 20 5 CEBDRM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000927482679 637223735 /nfs/dbraw/zinc/22/37/35/637223735.db2.gz HQLWMEVHYLAUTA-IMSIIYSGSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C(COC1CCCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837445162 639231474 /nfs/dbraw/zinc/23/14/74/639231474.db2.gz BFSWTEWHMMHPRQ-UHFFFAOYSA-N -1 0 295.291 2.303 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000044619556 639348159 /nfs/dbraw/zinc/34/81/59/639348159.db2.gz NOGDRPPGAIXWMM-VIFPVBQESA-N -1 0 252.270 2.203 20 5 CEBDRM CC(C)C[C@@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000232599367 639934731 /nfs/dbraw/zinc/93/47/31/639934731.db2.gz IQYMLDRWKOWVPB-SNVBAGLBSA-N -1 0 282.296 2.112 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000843035952 640245457 /nfs/dbraw/zinc/24/54/57/640245457.db2.gz FPJCKKBSNYOCPV-VHSXEESVSA-N -1 0 292.291 2.463 20 5 CEBDRM CC(C)C[C@@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844207722 640632208 /nfs/dbraw/zinc/63/22/08/640632208.db2.gz DFHGQUGGAQJSTM-LLVKDONJSA-N -1 0 296.323 2.041 20 5 CEBDRM CC[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O ZINC000844210722 640632866 /nfs/dbraw/zinc/63/28/66/640632866.db2.gz FRPLJRNYMAVMHP-IWUOWKGWSA-N -1 0 294.307 2.264 20 5 CEBDRM CC[C@@](C)(O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209337 640632995 /nfs/dbraw/zinc/63/29/95/640632995.db2.gz QXRXGRCNYKPOHU-HZRUHFOJSA-N -1 0 294.307 2.266 20 5 CEBDRM COc1cc(OC)cc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000916859762 640825908 /nfs/dbraw/zinc/82/59/08/640825908.db2.gz SBUFEURPWXPZRS-UHFFFAOYSA-N -1 0 292.247 2.159 20 5 CEBDRM O=C(OCCOC1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918518968 640967632 /nfs/dbraw/zinc/96/76/32/640967632.db2.gz ULYUUHCKHLSEDE-UHFFFAOYSA-N -1 0 268.269 2.039 20 5 CEBDRM C[C@H]1CSCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000889920360 641248834 /nfs/dbraw/zinc/24/88/34/641248834.db2.gz XQQUTWWQWDKFCV-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(NCC2(C(=O)[O-])CCC2)c1 ZINC000852913484 643596796 /nfs/dbraw/zinc/59/67/96/643596796.db2.gz WOHVAKFWOIZHGE-UHFFFAOYSA-N -1 0 298.270 2.409 20 5 CEBDRM CC12CC(C1)CN2c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000853030206 643627188 /nfs/dbraw/zinc/62/71/88/643627188.db2.gz SDADTKPZQUYRMQ-UHFFFAOYSA-N -1 0 276.292 2.211 20 5 CEBDRM Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc([N+](=O)[O-])c([O-])c1)N2 ZINC000877861501 650931872 /nfs/dbraw/zinc/93/18/72/650931872.db2.gz KYZSNHIFTUUFRF-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM Cc1ccc2c(c1)N[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)NC2=O ZINC000877864286 650932263 /nfs/dbraw/zinc/93/22/63/650932263.db2.gz PBYNCRMILBDZIP-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM CC(C)[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000774846799 646901952 /nfs/dbraw/zinc/90/19/52/646901952.db2.gz DZDDAFZALXECSF-BDAKNGLRSA-N -1 0 252.270 2.372 20 5 CEBDRM CO[C@H]1CC[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000864513892 647032929 /nfs/dbraw/zinc/03/29/29/647032929.db2.gz INIWVXBOTMMMIZ-KOLCDFICSA-N -1 0 294.307 2.297 20 5 CEBDRM CCOC1CCC(OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000870799481 648924441 /nfs/dbraw/zinc/92/44/41/648924441.db2.gz FJKMXVBHXGDAMP-UHFFFAOYSA-N -1 0 282.296 2.427 20 5 CEBDRM Cc1cnc(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c([N+](=O)[O-])c1 ZINC000871867798 649203562 /nfs/dbraw/zinc/20/35/62/649203562.db2.gz NHXIJXWASPWCDX-SMDDNHRTSA-N -1 0 291.307 2.132 20 5 CEBDRM CCC[C@@H](CC)Oc1nc(C)[n-]c(=O)c1[N+](=O)[O-] ZINC001229380906 806478421 /nfs/dbraw/zinc/47/84/21/806478421.db2.gz NESXQSRXEWZTAT-MRVPVSSYSA-N -1 0 255.274 2.356 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000704785454 809752041 /nfs/dbraw/zinc/75/20/41/809752041.db2.gz HEXOOMFLALEVJU-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM CCOC(=O)c1nonc1[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC001211190170 802787024 /nfs/dbraw/zinc/78/70/24/802787024.db2.gz OOVDIKKHNGSUDS-UHFFFAOYSA-N -1 0 296.214 2.037 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000693503480 802990337 /nfs/dbraw/zinc/99/03/37/802990337.db2.gz PMNGQMOGYHGXNY-JOYOIKCWSA-N -1 0 264.281 2.142 20 5 CEBDRM O=C([O-])CN(CC1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000036885696 814936476 /nfs/dbraw/zinc/93/64/76/814936476.db2.gz LNPIXXUIPFQOIZ-UHFFFAOYSA-N -1 0 268.244 2.035 20 5 CEBDRM O=C(NC1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC001118730376 815038274 /nfs/dbraw/zinc/03/82/74/815038274.db2.gz DSBKDTHPAQFHMY-UHFFFAOYSA-N -1 0 298.245 2.218 20 5 CEBDRM C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])c1cccnc1 ZINC001231070813 810584820 /nfs/dbraw/zinc/58/48/20/810584820.db2.gz XMPMMLAJBMEQAY-LURJTMIESA-N -1 0 296.670 2.279 20 5 CEBDRM O=[N+]([O-])c1cc([N+](=O)[O-])c(OC2CCC2)cc1[O-] ZINC001231222234 810609631 /nfs/dbraw/zinc/60/96/31/810609631.db2.gz ZCQUCNJONDJBJP-UHFFFAOYSA-N -1 0 254.198 2.140 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(F)CC2)c1 ZINC000689493611 812443422 /nfs/dbraw/zinc/44/34/22/812443422.db2.gz YEJCLBSOSWLODJ-UHFFFAOYSA-N -1 0 268.244 2.231 20 5 CEBDRM Cc1ccc(N[C@H](C)[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000133437306 813083483 /nfs/dbraw/zinc/08/34/83/813083483.db2.gz ZDMLYRDNLRQTEV-DTWKUNHWSA-N -1 0 252.270 2.424 20 5 CEBDRM CCn1cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000234186645 814396196 /nfs/dbraw/zinc/39/61/96/814396196.db2.gz LHKMISFYXRTKLP-UHFFFAOYSA-N -1 0 275.264 2.374 20 5 CEBDRM CCOC(=O)c1nonc1[N-]c1cc([N+](=O)[O-])ccc1F ZINC001175735780 816272072 /nfs/dbraw/zinc/27/20/72/816272072.db2.gz LKGLAOIPNGOVLR-UHFFFAOYSA-N -1 0 296.214 2.037 20 5 CEBDRM Nc1cccc2c1cnn2-c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677553 816454102 /nfs/dbraw/zinc/45/41/02/816454102.db2.gz YMBZJDKQWILXAB-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM COc1cccc(N2CCC(CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000134888914 344378436 /nfs/dbraw/zinc/37/84/36/344378436.db2.gz NORKTHVYPSFAJK-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM CC(C)OCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000160560553 344459468 /nfs/dbraw/zinc/45/94/68/344459468.db2.gz SMEAICICPLVEKD-UHFFFAOYSA-N -1 0 268.269 2.130 20 5 CEBDRM O=C([O-])CSc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000236420722 344595294 /nfs/dbraw/zinc/59/52/94/344595294.db2.gz PYMAMEAABJBUPL-UHFFFAOYSA-N -1 0 282.199 2.185 20 5 CEBDRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000050290180 362414185 /nfs/dbraw/zinc/41/41/85/362414185.db2.gz IHUBLWYGVDHJPT-UHFFFAOYSA-N -1 0 278.264 2.097 20 5 CEBDRM CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000323834427 344753746 /nfs/dbraw/zinc/75/37/46/344753746.db2.gz IUESOWWZNLYCHB-SNVBAGLBSA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000323864133 344753765 /nfs/dbraw/zinc/75/37/65/344753765.db2.gz PSBYEAWCYUZGBG-SNVBAGLBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000403661379 344876214 /nfs/dbraw/zinc/87/62/14/344876214.db2.gz SVQZWVNHWMKMLE-FOGDFJRCSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ccc([N+](=O)[O-])s1 ZINC000592981103 345418567 /nfs/dbraw/zinc/41/85/67/345418567.db2.gz XUZQDIXXXJUBKB-ZETCQYMHSA-N -1 0 256.283 2.100 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593886041 345548442 /nfs/dbraw/zinc/54/84/42/345548442.db2.gz HZABWFCSKZCUDK-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000594541464 345645234 /nfs/dbraw/zinc/64/52/34/345645234.db2.gz VHUWPMGHUUPWGS-JTQLQIEISA-N -1 0 281.312 2.375 20 5 CEBDRM C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000594545018 345646054 /nfs/dbraw/zinc/64/60/54/345646054.db2.gz FXPGMHJNOIMKNX-ZCFIWIBFSA-N -1 0 290.222 2.329 20 5 CEBDRM C[C@@H]1CCC[C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000594737171 345681679 /nfs/dbraw/zinc/68/16/79/345681679.db2.gz XZFJGJBDKFOMJL-PSASIEDQSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2n[nH]cc21 ZINC000356295291 370646665 /nfs/dbraw/zinc/64/66/65/370646665.db2.gz OKDAZBNQHKNHDQ-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000595277883 345753270 /nfs/dbraw/zinc/75/32/70/345753270.db2.gz QALPQNZVZIOPFI-WPRPVWTQSA-N -1 0 262.265 2.139 20 5 CEBDRM CN(CC1=CCSC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595280628 345753733 /nfs/dbraw/zinc/75/37/33/345753733.db2.gz QXCXNKLOYZWXHQ-UHFFFAOYSA-N -1 0 294.332 2.402 20 5 CEBDRM CC(C)(C)C[N@H+](CC(=O)[O-])Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595885754 345906240 /nfs/dbraw/zinc/90/62/40/345906240.db2.gz IWFZEPRXMULLMW-UHFFFAOYSA-N -1 0 296.323 2.233 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(=O)[O-])C1CCC1 ZINC000595978276 345920018 /nfs/dbraw/zinc/92/00/18/345920018.db2.gz SQFIGKWBEDUOEZ-SNVBAGLBSA-N -1 0 296.327 2.032 20 5 CEBDRM COC[C@H](CSCc1cc([O-])ccc1[N+](=O)[O-])OC ZINC000596393115 346013577 /nfs/dbraw/zinc/01/35/77/346013577.db2.gz HRTFIIQQCWZFRD-LLVKDONJSA-N -1 0 287.337 2.195 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCCC(C)(C)C(=O)[O-])n1 ZINC000311532161 201890523 /nfs/dbraw/zinc/89/05/23/201890523.db2.gz HBGUPAZNVPECNE-UHFFFAOYSA-N -1 0 267.285 2.211 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC2(CC2)C1 ZINC000597492021 346193196 /nfs/dbraw/zinc/19/31/96/346193196.db2.gz SEDITPGSXXQTIQ-UHFFFAOYSA-N -1 0 262.265 2.429 20 5 CEBDRM C[C@@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1(F)F ZINC000598213526 346307185 /nfs/dbraw/zinc/30/71/85/346307185.db2.gz CCQUQAIBTLSECX-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1[N+](=O)[O-] ZINC000598207657 346305560 /nfs/dbraw/zinc/30/55/60/346305560.db2.gz JOHURIOMDJZQQM-SCVCMEIPSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1(F)F ZINC000598213211 346306491 /nfs/dbraw/zinc/30/64/91/346306491.db2.gz AXIOLINJQUVYGQ-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000598217877 346308907 /nfs/dbraw/zinc/30/89/07/346308907.db2.gz XNEFAXNFPLCOFS-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061835152 362691689 /nfs/dbraw/zinc/69/16/89/362691689.db2.gz DNGSWBUBFZXNJW-NXEZZACHSA-N -1 0 294.307 2.273 20 5 CEBDRM O=C([O-])c1cnc(NCC2CC=CC2)c([N+](=O)[O-])c1 ZINC000600677634 346672168 /nfs/dbraw/zinc/67/21/68/346672168.db2.gz GLHWXFPPIIQQOH-UHFFFAOYSA-N -1 0 263.253 2.066 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000600802193 346692871 /nfs/dbraw/zinc/69/28/71/346692871.db2.gz STZAQDNESWMFTF-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM CC1=CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000600871751 346701335 /nfs/dbraw/zinc/70/13/35/346701335.db2.gz IOKHDFQTQGQMOK-UHFFFAOYSA-N -1 0 290.275 2.085 20 5 CEBDRM Cc1cc(N(C)CCCC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000336819280 365864848 /nfs/dbraw/zinc/86/48/48/365864848.db2.gz ZDHQROYYOHVOAM-UHFFFAOYSA-N -1 0 270.260 2.343 20 5 CEBDRM C[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000086110982 179232880 /nfs/dbraw/zinc/23/28/80/179232880.db2.gz MGVLLEMWUMZDJL-LURJTMIESA-N -1 0 286.265 2.316 20 5 CEBDRM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521515 347790954 /nfs/dbraw/zinc/79/09/54/347790954.db2.gz NZPQLTHCMAIRNA-BXKDBHETSA-N -1 0 268.288 2.480 20 5 CEBDRM O=C(Nc1ccc2nccn2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612543276 347900416 /nfs/dbraw/zinc/90/04/16/347900416.db2.gz BDBFBMVNTXCYLD-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM CC(C)COCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000066351799 362862744 /nfs/dbraw/zinc/86/27/44/362862744.db2.gz VWDINVGUPXCWQZ-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CCCCN(CCOC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109698788 186269214 /nfs/dbraw/zinc/26/92/14/186269214.db2.gz ITNOFUZRQUCKBW-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM CCOc1cc(N2CCC[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000113323892 186571147 /nfs/dbraw/zinc/57/11/47/186571147.db2.gz AHDDLZVJSIHEPC-LLVKDONJSA-N -1 0 280.280 2.047 20 5 CEBDRM CSC[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000123627090 187101796 /nfs/dbraw/zinc/10/17/96/187101796.db2.gz DLQNTEPIOANSRK-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H]1C(F)F ZINC000338183418 366225164 /nfs/dbraw/zinc/22/51/64/366225164.db2.gz JIKOEEDKSACJJK-NKWVEPMBSA-N -1 0 272.207 2.140 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)F ZINC000452267575 283236157 /nfs/dbraw/zinc/23/61/57/283236157.db2.gz VZHLYTPJANMQKG-SSDOTTSWSA-N -1 0 274.223 2.074 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC2(F)CCC2)n1 ZINC000570520456 299261994 /nfs/dbraw/zinc/26/19/94/299261994.db2.gz ZCIFQSHFNWKGKH-UHFFFAOYSA-N -1 0 283.259 2.382 20 5 CEBDRM C[C@@H]1CCCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000579014265 366581591 /nfs/dbraw/zinc/58/15/91/366581591.db2.gz QAGJGDUKZXPEEQ-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM Cc1cc(NC[C@H](CO)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479664 366653002 /nfs/dbraw/zinc/65/30/02/366653002.db2.gz YPEZCRRWUPNAIY-SNVBAGLBSA-N -1 0 294.307 2.032 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000179507652 189198366 /nfs/dbraw/zinc/19/83/66/189198366.db2.gz DGVKSRYVUCULAC-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM CC[C@H](CSC)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182184005 189316400 /nfs/dbraw/zinc/31/64/00/189316400.db2.gz KYYDLEAPMDHEHM-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C([O-])c1cc(NCc2ccco2)ccc1[N+](=O)[O-] ZINC000019844586 361560924 /nfs/dbraw/zinc/56/09/24/361560924.db2.gz BBOJGWPYHZVREU-UHFFFAOYSA-N -1 0 262.221 2.498 20 5 CEBDRM Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000027652464 361656964 /nfs/dbraw/zinc/65/69/64/361656964.db2.gz RJBZXTDGWHYNIM-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000087487266 363857098 /nfs/dbraw/zinc/85/70/98/363857098.db2.gz GZRAYOCZJXGXLV-JTQLQIEISA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000088147202 363879127 /nfs/dbraw/zinc/87/91/27/363879127.db2.gz JFNFXWFFPOJYDU-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM CC[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162365362 367154525 /nfs/dbraw/zinc/15/45/25/367154525.db2.gz NUDNSLXRBMQFQS-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000341201815 367218424 /nfs/dbraw/zinc/21/84/24/367218424.db2.gz ZHVHNBWBZRGLKA-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000187477871 369166631 /nfs/dbraw/zinc/16/66/31/369166631.db2.gz IXEMZFOBZIIKKY-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM CSC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000188167283 369309999 /nfs/dbraw/zinc/30/99/99/369309999.db2.gz IOUCTOZOXBTPEW-UHFFFAOYSA-N -1 0 268.294 2.135 20 5 CEBDRM Cc1cc(NCC[C@@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572845493 299404925 /nfs/dbraw/zinc/40/49/25/299404925.db2.gz VACVGEQTNWODHU-SNVBAGLBSA-N -1 0 294.307 2.440 20 5 CEBDRM CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000191432490 369713023 /nfs/dbraw/zinc/71/30/23/369713023.db2.gz QJBGMWUNYMUJOL-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1ccc([C@H](C)NC(=O)C(F)F)cc1[N+](=O)[O-] ZINC000194726650 370069013 /nfs/dbraw/zinc/06/90/13/370069013.db2.gz FEKKKEBKUJDIHD-ZETCQYMHSA-N -1 0 258.224 2.346 20 5 CEBDRM CCn1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cn1 ZINC000255205729 371567460 /nfs/dbraw/zinc/56/74/60/371567460.db2.gz GNONWIVUNAZWOS-ARJAWSKDSA-N -1 0 288.263 2.075 20 5 CEBDRM CO[C@@H](C)c1nc(=NCc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000336829049 213726931 /nfs/dbraw/zinc/72/69/31/213726931.db2.gz FNMAZOXRIBYCIW-QMMMGPOBSA-N -1 0 294.336 2.188 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC2(CC2)CC1 ZINC000364386001 372739188 /nfs/dbraw/zinc/73/91/88/372739188.db2.gz CORFCRFOWDDPEI-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000271944446 373229849 /nfs/dbraw/zinc/22/98/49/373229849.db2.gz PPPSVXINJUYTSL-DTWKUNHWSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000272687584 373616266 /nfs/dbraw/zinc/61/62/66/373616266.db2.gz PPAWHAXVWRGUFU-NXEZZACHSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000096848017 304188733 /nfs/dbraw/zinc/18/87/33/304188733.db2.gz BLIJDPJTOUEPFZ-GFCCVEGCSA-N -1 0 287.275 2.196 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC12CCC2 ZINC000408072981 375401135 /nfs/dbraw/zinc/40/11/35/375401135.db2.gz PARQUZBWABJJRY-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000416317754 376036833 /nfs/dbraw/zinc/03/68/33/376036833.db2.gz DPYIUFNIHDWOEX-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM CCC(CC)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262098423 190048344 /nfs/dbraw/zinc/04/83/44/190048344.db2.gz GNKRUPYVXGFGNO-UHFFFAOYSA-N -1 0 294.307 2.358 20 5 CEBDRM CCc1coc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000556806107 376492338 /nfs/dbraw/zinc/49/23/38/376492338.db2.gz KVARSUYFSOATOS-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000312387179 376713525 /nfs/dbraw/zinc/71/35/25/376713525.db2.gz KLJFUEWFMVGLDR-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000424984365 377320491 /nfs/dbraw/zinc/32/04/91/377320491.db2.gz SMWDYRZEZGNJDT-QWHCGFSZSA-N -1 0 276.292 2.219 20 5 CEBDRM CC[C@H](CCO)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000564733259 377443899 /nfs/dbraw/zinc/44/38/99/377443899.db2.gz XQPGFKZFWJLMPH-SNVBAGLBSA-N -1 0 296.323 2.042 20 5 CEBDRM Cc1cc(N[C@H](C)[C@H](C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034200 377537941 /nfs/dbraw/zinc/53/79/41/377537941.db2.gz BIARXQXEZVIZNF-RKDXNWHRSA-N -1 0 282.296 2.030 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000293656084 377681125 /nfs/dbraw/zinc/68/11/25/377681125.db2.gz MENQRLAADIUJHS-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM Cc1cccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436864604 377834407 /nfs/dbraw/zinc/83/44/07/377834407.db2.gz OJAZARVNXVGAGV-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000293849309 377787524 /nfs/dbraw/zinc/78/75/24/377787524.db2.gz DWPACPYEJLLHQQ-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC(C)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000295712281 378275050 /nfs/dbraw/zinc/27/50/50/378275050.db2.gz PMXPWXGOSSZFOU-UHFFFAOYSA-N -1 0 266.297 2.329 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OC ZINC000295725604 378279183 /nfs/dbraw/zinc/27/91/83/378279183.db2.gz LZOQTTYWLCDDAY-NOZJJQNGSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(CF)CCOCC1 ZINC000450395596 378392454 /nfs/dbraw/zinc/39/24/54/378392454.db2.gz UWISTZHUQRYBHL-UHFFFAOYSA-N -1 0 298.270 2.005 20 5 CEBDRM O=C(NCCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000347311265 218186947 /nfs/dbraw/zinc/18/69/47/218186947.db2.gz MELZRHCUAWQEIU-UHFFFAOYSA-N -1 0 286.287 2.273 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[C@H](F)C2)n1 ZINC000517378909 379359672 /nfs/dbraw/zinc/35/96/72/379359672.db2.gz YPQDDMJCYFXSTJ-JGVFFNPUSA-N -1 0 283.259 2.299 20 5 CEBDRM O=C([O-])c1cc(C(=O)N[C@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000237984314 304223217 /nfs/dbraw/zinc/22/32/17/304223217.db2.gz VYCBLKBNDXYKPP-NSHDSACASA-N -1 0 290.275 2.132 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C)CC(C)C)n1 ZINC000574758893 299523955 /nfs/dbraw/zinc/52/39/55/299523955.db2.gz CEDYUWINADDVHL-MRVPVSSYSA-N -1 0 281.312 2.265 20 5 CEBDRM Cc1cc(N2CCCC[C@H]2CC(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026371 135075145 /nfs/dbraw/zinc/07/51/45/135075145.db2.gz IORFMSRRXFKFHG-JTQLQIEISA-N -1 0 279.296 2.132 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000218965627 394458369 /nfs/dbraw/zinc/45/83/69/394458369.db2.gz OPRCQTJLTUGOES-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225806776 394470375 /nfs/dbraw/zinc/47/03/75/394470375.db2.gz IQPMSXIFNPZIBE-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM CCc1onc(C)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356729978 394596197 /nfs/dbraw/zinc/59/61/97/394596197.db2.gz PIEGVCYIFRTWMX-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000331989577 394635259 /nfs/dbraw/zinc/63/52/59/394635259.db2.gz PDXLTYUWMZMIEV-JTQLQIEISA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000414088147 394699574 /nfs/dbraw/zinc/69/95/74/394699574.db2.gz IWUJUUSHJBNOTK-VIFPVBQESA-N -1 0 294.307 2.273 20 5 CEBDRM C[C@@H](CO)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436475798 395119953 /nfs/dbraw/zinc/11/99/53/395119953.db2.gz QEHWDPCBWDSOKQ-QMMMGPOBSA-N -1 0 257.311 2.162 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436946023 395167094 /nfs/dbraw/zinc/16/70/94/395167094.db2.gz BTPWHLCEPQHMKR-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM CC(C)(C(=O)[O-])C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000566295768 395511048 /nfs/dbraw/zinc/51/10/48/395511048.db2.gz XDYDHUCZEGXIAT-UHFFFAOYSA-N -1 0 299.352 2.379 20 5 CEBDRM Cc1cc(N(C)C[C@H]2CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574280762 395627079 /nfs/dbraw/zinc/62/70/79/395627079.db2.gz RGCOKDPIHWHERG-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCS1 ZINC000217316011 153297139 /nfs/dbraw/zinc/29/71/39/153297139.db2.gz ZVZKZZXGWNZSEC-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C([O-])c1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000226759957 153340380 /nfs/dbraw/zinc/34/03/80/153340380.db2.gz QNEPNZATOQPSBP-UHFFFAOYSA-N -1 0 279.277 2.362 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164454357 162334458 /nfs/dbraw/zinc/33/44/58/162334458.db2.gz CIQICCXAMOOUEA-MRVPVSSYSA-N -1 0 252.270 2.171 20 5 CEBDRM O=C(N[C@H]1C=CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164931030 162340731 /nfs/dbraw/zinc/34/07/31/162340731.db2.gz MAQYMWWXRAERAQ-JTQLQIEISA-N -1 0 262.265 2.139 20 5 CEBDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016478754 170699402 /nfs/dbraw/zinc/69/94/02/170699402.db2.gz ZUZHGIMAAHCJHT-UHFFFAOYSA-N -1 0 280.280 2.424 20 5 CEBDRM O=C([O-])c1cc(OC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000019262706 170762778 /nfs/dbraw/zinc/76/27/78/170762778.db2.gz XEHKGQCZSYVPBM-JTQLQIEISA-N -1 0 281.264 2.241 20 5 CEBDRM CCCC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000035095743 171974582 /nfs/dbraw/zinc/97/45/82/171974582.db2.gz ZAMTXADBSBFZQH-NSHDSACASA-N -1 0 294.307 2.276 20 5 CEBDRM C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000035407093 172178127 /nfs/dbraw/zinc/17/81/27/172178127.db2.gz MCTUUISJIKLNAT-SSDOTTSWSA-N -1 0 261.237 2.028 20 5 CEBDRM O=C([O-])CCCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000035412576 172184247 /nfs/dbraw/zinc/18/42/47/172184247.db2.gz DNDFHPJLMLFLGT-UHFFFAOYSA-N -1 0 298.324 2.361 20 5 CEBDRM CCC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000232848077 270314860 /nfs/dbraw/zinc/31/48/60/270314860.db2.gz DMQBJGQTHHTBLO-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965977 271697247 /nfs/dbraw/zinc/69/72/47/271697247.db2.gz VCHVFQJUSRIAJT-SNVBAGLBSA-N -1 0 264.281 2.315 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000162647779 279111379 /nfs/dbraw/zinc/11/13/79/279111379.db2.gz LOSXDTNMDHWYAV-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000130327542 279934412 /nfs/dbraw/zinc/93/44/12/279934412.db2.gz ICDVYNSIDPQJOE-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(NC1Cc2ccccc2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000131941214 279968523 /nfs/dbraw/zinc/96/85/23/279968523.db2.gz RPBREVMUUCSLAD-UHFFFAOYSA-N -1 0 298.298 2.198 20 5 CEBDRM O=C(Nc1ccc2c[nH]nc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000142461625 280075484 /nfs/dbraw/zinc/07/54/84/280075484.db2.gz VCFHQBXACYIBGV-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CN(C[C@@H]1CCCOC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211503543 280207028 /nfs/dbraw/zinc/20/70/28/280207028.db2.gz MIEKCDNHJNQAGW-JTQLQIEISA-N -1 0 294.307 2.156 20 5 CEBDRM CC(C)c1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263095214 280590632 /nfs/dbraw/zinc/59/06/32/280590632.db2.gz IHGMDTOPNWTKBA-VIFPVBQESA-N -1 0 294.307 2.263 20 5 CEBDRM C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424275073 281141743 /nfs/dbraw/zinc/14/17/43/281141743.db2.gz ZKOANCFZIURQHM-LDYMZIIASA-N -1 0 284.337 2.341 20 5 CEBDRM CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130269282 281804221 /nfs/dbraw/zinc/80/42/21/281804221.db2.gz MGLADDHEEHLJKI-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000263383147 294991697 /nfs/dbraw/zinc/99/16/97/294991697.db2.gz DAYYTKSBCLEHLZ-ZDUSSCGKSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000263155819 297344008 /nfs/dbraw/zinc/34/40/08/297344008.db2.gz HWAIUXJZYYEPRU-BDAKNGLRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2CCO)c1 ZINC000566292326 298963622 /nfs/dbraw/zinc/96/36/22/298963622.db2.gz SJUFWPJKVNHNFY-ONGXEEELSA-N -1 0 294.307 2.256 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119314579 300062704 /nfs/dbraw/zinc/06/27/04/300062704.db2.gz DCKSIVNASMNTLK-IUCAKERBSA-N -1 0 264.281 2.313 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000274650635 300194634 /nfs/dbraw/zinc/19/46/34/300194634.db2.gz CAOXASKWJPVQFT-IUCAKERBSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000263273148 300474390 /nfs/dbraw/zinc/47/43/90/300474390.db2.gz WFNFPPHTVDOYOU-IUCAKERBSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1cc(N[C@@H](CCO)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205196 313722061 /nfs/dbraw/zinc/72/20/61/313722061.db2.gz LGZRWUDNOVRQKF-LBPRGKRZSA-N -1 0 296.323 2.420 20 5 CEBDRM O=C([O-])c1ccnc(NC[C@@H]2C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000563213754 313723994 /nfs/dbraw/zinc/72/39/94/313723994.db2.gz FWAKTCOYPVWAMV-WPRPVWTQSA-N -1 0 277.280 2.146 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C)C2)n1 ZINC000575127079 314207708 /nfs/dbraw/zinc/20/77/08/314207708.db2.gz YIABITKDVVCJEX-RKDXNWHRSA-N -1 0 293.323 2.479 20 5 CEBDRM Cc1cc(NCC[C@@H](C)CCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000575319602 314217388 /nfs/dbraw/zinc/21/73/88/314217388.db2.gz YCVIILOJNVVPGK-SECBINFHSA-N -1 0 296.323 2.422 20 5 CEBDRM C[C@H](CN(C)c1nccc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000577615172 314395150 /nfs/dbraw/zinc/39/51/50/314395150.db2.gz DHDGKSKLCTZFCR-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM Cc1cc(NC[C@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578872056 314525619 /nfs/dbraw/zinc/52/56/19/314525619.db2.gz RGYASOXFHUNVIG-SNVBAGLBSA-N -1 0 280.280 2.192 20 5 CEBDRM O=C(CC1(O)CCCCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183907100 321723770 /nfs/dbraw/zinc/72/37/70/321723770.db2.gz YJVOREOTIDGEFI-UHFFFAOYSA-N -1 0 294.307 2.324 20 5 CEBDRM CC1=C(C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000382941168 321844745 /nfs/dbraw/zinc/84/47/45/321844745.db2.gz WGPCBARFOOXTHW-UHFFFAOYSA-N -1 0 277.280 2.235 20 5 CEBDRM CC(C)SCCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000389447308 321890942 /nfs/dbraw/zinc/89/09/42/321890942.db2.gz VGRREDRDYDELMA-UHFFFAOYSA-N -1 0 285.325 2.242 20 5 CEBDRM Cc1cc(N[C@H](C)C[C@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581550557 322405836 /nfs/dbraw/zinc/40/58/36/322405836.db2.gz FGNPQZKYSGWELX-BDAKNGLRSA-N -1 0 282.296 2.173 20 5 CEBDRM C[C@@H](C(=O)[O-])N(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000054054517 524294573 /nfs/dbraw/zinc/29/45/73/524294573.db2.gz XVGLOITUBNGSGO-QMMMGPOBSA-N -1 0 275.264 2.052 20 5 CEBDRM O=C(Nc1ccc(F)cn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356057394 534831621 /nfs/dbraw/zinc/83/16/21/534831621.db2.gz JRDHRVIZNAVJAT-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM O=Cc1ccc(-c2cc([N+](=O)[O-])c(C(=O)[O-])s2)o1 ZINC000874972412 649877612 /nfs/dbraw/zinc/87/76/12/649877612.db2.gz BGADDGCCCBDOCM-UHFFFAOYSA-N -1 0 267.218 2.427 20 5 CEBDRM O=Cc1ccc(-c2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1F ZINC000874972975 649877990 /nfs/dbraw/zinc/87/79/90/649877990.db2.gz BPCYNKVRAOCDOE-UHFFFAOYSA-N -1 0 290.206 2.307 20 5 CEBDRM O=C(OCc1ccc2c(c1)CCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000728774984 574469335 /nfs/dbraw/zinc/46/93/35/574469335.db2.gz YCVGUOUNQQPOBS-UHFFFAOYSA-N -1 0 288.259 2.215 20 5 CEBDRM CC(C)(C)C(=O)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000736232757 574779073 /nfs/dbraw/zinc/77/90/73/574779073.db2.gz PRWGZFACXGSBCY-UHFFFAOYSA-N -1 0 281.264 2.287 20 5 CEBDRM C[C@H](CSCCOc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000736614164 574793112 /nfs/dbraw/zinc/79/31/12/574793112.db2.gz SZLLZGVEEHJYIT-SECBINFHSA-N -1 0 285.321 2.428 20 5 CEBDRM CCCCOCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736999124 574801745 /nfs/dbraw/zinc/80/17/45/574801745.db2.gz JOAUDHPEQTYCEG-UHFFFAOYSA-N -1 0 296.279 2.048 20 5 CEBDRM O=C([O-])Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000738668347 574873505 /nfs/dbraw/zinc/87/35/05/574873505.db2.gz GTXWYIFQDUTCHW-UHFFFAOYSA-N -1 0 292.203 2.497 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000739588782 574927892 /nfs/dbraw/zinc/92/78/92/574927892.db2.gz QXYXHKILQBWLNV-LBPRGKRZSA-N -1 0 293.323 2.169 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000739927151 574936604 /nfs/dbraw/zinc/93/66/04/574936604.db2.gz COPYDRSEMOPNJT-SECBINFHSA-N -1 0 283.259 2.288 20 5 CEBDRM Cc1ccnc(NCC2CCN(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740196314 574947822 /nfs/dbraw/zinc/94/78/22/574947822.db2.gz QWKDUCPHSJNNQN-UHFFFAOYSA-N -1 0 294.311 2.100 20 5 CEBDRM Cn1cnc([N+](=O)[O-])c1Nc1ccc(CCC(=O)[O-])cc1 ZINC000739050435 600162486 /nfs/dbraw/zinc/16/24/86/600162486.db2.gz ZUPQFDPXVWYFQZ-UHFFFAOYSA-N -1 0 290.279 2.089 20 5 CEBDRM O=C([O-])c1cc(OC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000019262708 600441152 /nfs/dbraw/zinc/44/11/52/600441152.db2.gz XEHKGQCZSYVPBM-SNVBAGLBSA-N -1 0 281.264 2.241 20 5 CEBDRM CC(C)OCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000690490416 600818301 /nfs/dbraw/zinc/81/83/01/600818301.db2.gz RBBCOFPMPZACGK-UHFFFAOYSA-N -1 0 283.280 2.487 20 5 CEBDRM CC(C)C[C@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000826821066 600953651 /nfs/dbraw/zinc/95/36/51/600953651.db2.gz XGMGBSLABRNOMW-NSHDSACASA-N -1 0 299.254 2.390 20 5 CEBDRM CCC[C@](C)(NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147251 601001092 /nfs/dbraw/zinc/00/10/92/601001092.db2.gz VZBRJXPHVHBWHO-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM C[C@@H](SCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000827909014 601345315 /nfs/dbraw/zinc/34/53/15/601345315.db2.gz QADANQASDRDVLG-ZCFIWIBFSA-N -1 0 259.258 2.440 20 5 CEBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000825774129 601414447 /nfs/dbraw/zinc/41/44/47/601414447.db2.gz CCBXLGJUMXIDAM-UTCJRWHESA-N -1 0 285.277 2.152 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000094290489 601433241 /nfs/dbraw/zinc/43/32/41/601433241.db2.gz IZSAWFDJCKHWQF-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)[nH]1 ZINC000833311917 601794549 /nfs/dbraw/zinc/79/45/49/601794549.db2.gz FNIGCOVTGKZABH-OWOJBTEDSA-N -1 0 259.221 2.187 20 5 CEBDRM CC[C@H](O)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829004264 602011687 /nfs/dbraw/zinc/01/16/87/602011687.db2.gz DEMLZQQZHHIWKF-MALLOTDXSA-N -1 0 294.307 2.266 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000828664919 602026285 /nfs/dbraw/zinc/02/62/85/602026285.db2.gz KZZWVSUMZWGZOW-ZDUSSCGKSA-N -1 0 282.296 2.033 20 5 CEBDRM CC[C@@H](NC(=O)[C@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000828906540 602189868 /nfs/dbraw/zinc/18/98/68/602189868.db2.gz IYUUGZIMCSJABT-BXKDBHETSA-N -1 0 294.307 2.273 20 5 CEBDRM Cc1cnc(NCC[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830634418 603207496 /nfs/dbraw/zinc/20/74/96/603207496.db2.gz UUWAMQOQFYZFON-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM CC(C)(CNc1ccccc1[N+](=O)[O-])NC(=O)[O-] ZINC000824011406 603519301 /nfs/dbraw/zinc/51/93/01/603519301.db2.gz LCENQOBPSGHWLP-UHFFFAOYSA-N -1 0 253.258 2.053 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN(C(=O)[O-])CC1 ZINC000825637557 603562487 /nfs/dbraw/zinc/56/24/87/603562487.db2.gz DTOISGWBXAOKSI-LLVKDONJSA-N -1 0 293.323 2.342 20 5 CEBDRM Cc1nc(N(C)CC(C)(C)CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830764444 604443621 /nfs/dbraw/zinc/44/36/21/604443621.db2.gz KMSPKHBPKINGKV-UHFFFAOYSA-N -1 0 296.327 2.028 20 5 CEBDRM C[C@H](CSc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148416616 604459874 /nfs/dbraw/zinc/45/98/74/604459874.db2.gz UVJSEIAGWFTUHM-RXMQYKEDSA-N -1 0 276.701 2.456 20 5 CEBDRM C[C@]1(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000833569924 604562613 /nfs/dbraw/zinc/56/26/13/604562613.db2.gz ARRFHHQVFJCGOS-KQIUPUNMSA-N -1 0 292.291 2.284 20 5 CEBDRM Cc1cc(N(CCC(=O)[O-])CC(C)C)ncc1[N+](=O)[O-] ZINC000832888027 604779247 /nfs/dbraw/zinc/77/92/47/604779247.db2.gz CCILXAMBBZYNGE-UHFFFAOYSA-N -1 0 281.312 2.235 20 5 CEBDRM CCc1nsc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000217319992 604822592 /nfs/dbraw/zinc/82/25/92/604822592.db2.gz PDCLVAIIVVCWEX-UHFFFAOYSA-N -1 0 295.276 2.499 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828753365 604912766 /nfs/dbraw/zinc/91/27/66/604912766.db2.gz LXBRZFHTZOWGKL-QMMMGPOBSA-N -1 0 296.279 2.095 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000235432671 604949746 /nfs/dbraw/zinc/94/97/46/604949746.db2.gz FBKAJUCTCGRRCG-GFCCVEGCSA-N -1 0 286.234 2.174 20 5 CEBDRM C[C@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC000833525454 605196065 /nfs/dbraw/zinc/19/60/65/605196065.db2.gz PMUCXAJSVFAGJY-QMMMGPOBSA-N -1 0 288.263 2.256 20 5 CEBDRM O=C([O-])N[C@H](CNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000834151326 605923656 /nfs/dbraw/zinc/92/36/56/605923656.db2.gz SXIJKCIWBUJUMY-MRVPVSSYSA-N -1 0 271.298 2.114 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000263273146 624361644 /nfs/dbraw/zinc/36/16/44/624361644.db2.gz WFNFPPHTVDOYOU-DTWKUNHWSA-N -1 0 282.271 2.281 20 5 CEBDRM CS[C@H]1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000235143830 624772958 /nfs/dbraw/zinc/77/29/58/624772958.db2.gz WIGNODSONVKPAS-YUMQZZPRSA-N -1 0 297.336 2.384 20 5 CEBDRM Cc1nc(N2CCCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000123365316 629247678 /nfs/dbraw/zinc/24/76/78/629247678.db2.gz AQFDAFAHQUMCPD-SNVBAGLBSA-N -1 0 279.296 2.132 20 5 CEBDRM CC[C@@H]1CO[C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042308383 633381909 /nfs/dbraw/zinc/38/19/09/633381909.db2.gz GECQEPCCRGHPKC-VHSXEESVSA-N -1 0 294.307 2.297 20 5 CEBDRM Cc1cc(N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC000900944706 633897242 /nfs/dbraw/zinc/89/72/42/633897242.db2.gz KTUJWIYVNKGVHL-NSHDSACASA-N -1 0 270.310 2.266 20 5 CEBDRM COc1cc(N(CCC(=O)[O-])CC2CC2)ccc1[N+](=O)[O-] ZINC000910417125 638040214 /nfs/dbraw/zinc/04/02/14/638040214.db2.gz SZKHNECPHAOGBT-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM CCOc1cc(N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000910476693 638069542 /nfs/dbraw/zinc/06/95/42/638069542.db2.gz XXUXAKHDFZPPII-JGZJWPJOSA-N -1 0 294.307 2.293 20 5 CEBDRM CS[C@H](C)CCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835666195 638344378 /nfs/dbraw/zinc/34/43/78/638344378.db2.gz PFJSABQEZXEWQA-SSDOTTSWSA-N -1 0 258.299 2.221 20 5 CEBDRM CC[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000087509282 639666442 /nfs/dbraw/zinc/66/64/42/639666442.db2.gz UQKGHWHPWZFIFK-ZETCQYMHSA-N -1 0 256.233 2.257 20 5 CEBDRM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000844208600 640632105 /nfs/dbraw/zinc/63/21/05/640632105.db2.gz KYWWNJWESRTMQP-SECBINFHSA-N -1 0 296.348 2.164 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)CC(=O)[O-] ZINC000844219528 640635011 /nfs/dbraw/zinc/63/50/11/640635011.db2.gz WBMMNFVWIQJCFD-QMMMGPOBSA-N -1 0 280.280 2.320 20 5 CEBDRM O=C(OCCOC1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000918520336 640968140 /nfs/dbraw/zinc/96/81/40/640968140.db2.gz VZGMGDIWOPUVNY-UHFFFAOYSA-N -1 0 282.296 2.429 20 5 CEBDRM CCCO[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848593342 642071662 /nfs/dbraw/zinc/07/16/62/642071662.db2.gz FNGJRYREVCMNOB-UHFFFAOYSA-N -1 0 290.222 2.024 20 5 CEBDRM O=C(OC[C@@H]1CCC1(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000851312039 642978195 /nfs/dbraw/zinc/97/81/95/642978195.db2.gz FENFFXXVZWHNJV-LURJTMIESA-N -1 0 260.196 2.125 20 5 CEBDRM O=C([N-]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000756998752 644717212 /nfs/dbraw/zinc/71/72/12/644717212.db2.gz OTMAXUIBYXIRGE-UHFFFAOYSA-N -1 0 282.605 2.427 20 5 CEBDRM O=C(Nc1n[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772066647 646591318 /nfs/dbraw/zinc/59/13/18/646591318.db2.gz ZQYZSBPMPGVSGM-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM Cc1cc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)ns1 ZINC000774787638 646895157 /nfs/dbraw/zinc/89/51/57/646895157.db2.gz GBSONPJZWJEFIR-UHFFFAOYSA-N -1 0 267.266 2.045 20 5 CEBDRM O=C(NCCC1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000779671282 647337679 /nfs/dbraw/zinc/33/76/79/647337679.db2.gz XQUDGMMQCHFLRK-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000869599654 648527948 /nfs/dbraw/zinc/52/79/48/648527948.db2.gz DELLMLROWWADBS-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM CCO[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000873602519 649708193 /nfs/dbraw/zinc/70/81/93/649708193.db2.gz ZUCINCLFDVNGHY-VHSXEESVSA-N -1 0 282.296 2.427 20 5 CEBDRM COC(=O)c1nsnc1[N-]c1ccc(C)cc1[N+](=O)[O-] ZINC001214169415 806474969 /nfs/dbraw/zinc/47/49/69/806474969.db2.gz LLHDVPZGOWCAML-UHFFFAOYSA-N -1 0 294.292 2.285 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722673103 802461013 /nfs/dbraw/zinc/46/10/13/802461013.db2.gz OATJTOLBJFFPMR-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM CCOC(=O)c1nonc1[N-]c1cccc([N+](=O)[O-])c1F ZINC001210379082 802676238 /nfs/dbraw/zinc/67/62/38/802676238.db2.gz QOZFOQWADOCQKF-UHFFFAOYSA-N -1 0 296.214 2.037 20 5 CEBDRM COc1cc(N[C@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000694876856 803593054 /nfs/dbraw/zinc/59/30/54/803593054.db2.gz VJMWNQRINYJDTQ-VIFPVBQESA-N -1 0 278.264 2.189 20 5 CEBDRM COC[C@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1O ZINC001229755669 809070093 /nfs/dbraw/zinc/07/00/93/809070093.db2.gz ZGUUBSDHIGYLND-WDEREUQCSA-N -1 0 299.323 2.428 20 5 CEBDRM COC[C@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1O ZINC001229755662 809070217 /nfs/dbraw/zinc/07/02/17/809070217.db2.gz ZGUUBSDHIGYLND-QWRGUYRKSA-N -1 0 299.323 2.428 20 5 CEBDRM CCC(F)(F)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000701129402 809394427 /nfs/dbraw/zinc/39/44/27/809394427.db2.gz LXLBLMLEFBVCRZ-UHFFFAOYSA-N -1 0 260.196 2.284 20 5 CEBDRM O=c1nc(O[C@H]2CCCC[C@@H]2F)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231076075 810588158 /nfs/dbraw/zinc/58/81/58/810588158.db2.gz KHPIIYOSWILWDM-WDSKDSINSA-N -1 0 291.666 2.403 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000823639154 810623197 /nfs/dbraw/zinc/62/31/97/810623197.db2.gz QAHHEVXIGJXBSJ-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM COc1ccnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174502554 816028901 /nfs/dbraw/zinc/02/89/01/816028901.db2.gz VFJFXDHUASIWHF-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)on1 ZINC001176671968 816452164 /nfs/dbraw/zinc/45/21/64/816452164.db2.gz FSKODEZMBTULQH-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM CCCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000035095376 361809367 /nfs/dbraw/zinc/80/93/67/361809367.db2.gz QCWXIEUQOGUISA-LLVKDONJSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(N[C@@H]1CCCC12CC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000601703936 346882364 /nfs/dbraw/zinc/88/23/64/346882364.db2.gz HEERCHZSDILRFM-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM C[C@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cn3)c(=O)c2C1 ZINC000601931458 346929490 /nfs/dbraw/zinc/92/94/90/346929490.db2.gz FKAXGAFVSMEICN-WCBMZHEXSA-N -1 0 274.280 2.129 20 5 CEBDRM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601942232 346935008 /nfs/dbraw/zinc/93/50/08/346935008.db2.gz IVMMLJKLUCAFKW-LURJTMIESA-N -1 0 251.217 2.093 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CSCC2 ZINC000601942210 346935060 /nfs/dbraw/zinc/93/50/60/346935060.db2.gz IAKPJHCIJYVGGA-JTQLQIEISA-N -1 0 291.332 2.359 20 5 CEBDRM CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000601943554 346935775 /nfs/dbraw/zinc/93/57/75/346935775.db2.gz RJGQUDIBUQRPAW-UHFFFAOYSA-N -1 0 251.217 2.237 20 5 CEBDRM CN(CCCC(=O)[O-])c1nccc2c1cccc2[N+](=O)[O-] ZINC000416423076 529880315 /nfs/dbraw/zinc/88/03/15/529880315.db2.gz ROCYQPAXSCYLKT-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567981566 299104609 /nfs/dbraw/zinc/10/46/09/299104609.db2.gz PMPHRHDQHFRTDK-JTQLQIEISA-N -1 0 294.307 2.440 20 5 CEBDRM COc1cc(SCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111045254 344270311 /nfs/dbraw/zinc/27/03/11/344270311.db2.gz ZUYSKUGKZGJEEE-UHFFFAOYSA-N -1 0 257.267 2.170 20 5 CEBDRM CC(C)n1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000130476068 344353020 /nfs/dbraw/zinc/35/30/20/344353020.db2.gz VVDJHVFUDPVNGJ-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148370170 344413625 /nfs/dbraw/zinc/41/36/25/344413625.db2.gz JUSLFMUEZXMFSA-MRVPVSSYSA-N -1 0 299.714 2.334 20 5 CEBDRM CSCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211894716 344532087 /nfs/dbraw/zinc/53/20/87/344532087.db2.gz ZVIOJYLPUOQFIC-UHFFFAOYSA-N -1 0 256.283 2.068 20 5 CEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000232532223 344577928 /nfs/dbraw/zinc/57/79/28/344577928.db2.gz VCQOHACWRNTEOS-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000232941686 344580685 /nfs/dbraw/zinc/58/06/85/344580685.db2.gz FSOOHSUVZVADDS-QMMMGPOBSA-N -1 0 265.269 2.146 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351603054 219141124 /nfs/dbraw/zinc/14/11/24/219141124.db2.gz QSYMCOGVHDFYKV-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000403624529 344876194 /nfs/dbraw/zinc/87/61/94/344876194.db2.gz LPZZWJCZZOPSHK-OPRDCNLKSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[C@H]2C)n1 ZINC000584722110 344980063 /nfs/dbraw/zinc/98/00/63/344980063.db2.gz HRDBXOQIJDUXBH-MUWHJKNJSA-N -1 0 265.269 2.207 20 5 CEBDRM C[C@@H]1CC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000584843962 344992414 /nfs/dbraw/zinc/99/24/14/344992414.db2.gz XKNKLPKTYCCKKO-MWLCHTKSSA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@H]1CC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000584843964 344992591 /nfs/dbraw/zinc/99/25/91/344992591.db2.gz XKNKLPKTYCCKKO-ONGXEEELSA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000054334513 362529227 /nfs/dbraw/zinc/52/92/27/362529227.db2.gz UWEXDANICRUFOP-LURJTMIESA-N -1 0 258.661 2.381 20 5 CEBDRM CC(=O)c1cc(NCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000591326897 345241214 /nfs/dbraw/zinc/24/12/14/345241214.db2.gz HQYYVEYQLNQCGH-UHFFFAOYSA-N -1 0 280.280 2.464 20 5 CEBDRM C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000592421074 345351185 /nfs/dbraw/zinc/35/11/85/345351185.db2.gz LVUVNSWEIPWTAC-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM COCCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592970961 345417066 /nfs/dbraw/zinc/41/70/66/345417066.db2.gz GYMUVHIBJDMKSL-UHFFFAOYSA-N -1 0 282.296 2.074 20 5 CEBDRM CC[C@H]1C[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000592972541 345417274 /nfs/dbraw/zinc/41/72/74/345417274.db2.gz WWYUZEVOKJQGNZ-IUCAKERBSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C([O-])[C@H]1CC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000592981098 345418548 /nfs/dbraw/zinc/41/85/48/345418548.db2.gz WZEFDYZLOQBKQO-DTWKUNHWSA-N -1 0 291.307 2.228 20 5 CEBDRM CSCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592746757 345392610 /nfs/dbraw/zinc/39/26/10/345392610.db2.gz DOSDQDGRYIUBTQ-UHFFFAOYSA-N -1 0 290.728 2.047 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(CF)CCC1 ZINC000592779281 345395992 /nfs/dbraw/zinc/39/59/92/345395992.db2.gz DCZTZDCSVOZZQS-UHFFFAOYSA-N -1 0 268.244 2.379 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000057721778 362593068 /nfs/dbraw/zinc/59/30/68/362593068.db2.gz MRJLZZGNOZCRIP-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM C[C@@H](CN(C)c1ccnc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000593327559 345467088 /nfs/dbraw/zinc/46/70/88/345467088.db2.gz PWQOFSSVWLXHME-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC000594546686 345646122 /nfs/dbraw/zinc/64/61/22/345646122.db2.gz UUCHSAMVLSPZJX-LURJTMIESA-N -1 0 290.222 2.329 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2=CCCC2)n1 ZINC000595277925 345753231 /nfs/dbraw/zinc/75/32/31/345753231.db2.gz QWQYVZHSSNVUKC-UHFFFAOYSA-N -1 0 263.253 2.210 20 5 CEBDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc([N+](=O)[O-])s1 ZINC000595972437 345919731 /nfs/dbraw/zinc/91/97/31/345919731.db2.gz BROCWNNQDCPDCZ-SFYZADRCSA-N -1 0 270.310 2.346 20 5 CEBDRM O=C(N[C@@H]1C=CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179543917 232394804 /nfs/dbraw/zinc/39/48/04/232394804.db2.gz JXXYNNHYZKICKB-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000085328781 179019788 /nfs/dbraw/zinc/01/97/88/179019788.db2.gz IYLZSKMHRCJNLK-BDAKNGLRSA-N -1 0 268.244 2.399 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000598381830 346342703 /nfs/dbraw/zinc/34/27/03/346342703.db2.gz QAHUXNXBVZMGEB-GFCCVEGCSA-N -1 0 278.308 2.465 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598551984 346373596 /nfs/dbraw/zinc/37/35/96/346373596.db2.gz YMMSEXXWYRNKTG-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)(CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000336846283 213756004 /nfs/dbraw/zinc/75/60/04/213756004.db2.gz MIWAFCDSTIWUBT-UHFFFAOYSA-N -1 0 295.295 2.217 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598786001 346419739 /nfs/dbraw/zinc/41/97/39/346419739.db2.gz YWOORXGPWNGQME-ZETCQYMHSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598785613 346420066 /nfs/dbraw/zinc/42/00/66/346420066.db2.gz XMZOJXKDZINTJF-MRVPVSSYSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N(C1CC1)C1CC1 ZINC000600359840 346635529 /nfs/dbraw/zinc/63/55/29/346635529.db2.gz MHTOLAAJQPKCJR-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1CN=c1[n-]nc([C@@H]2C[C@H]2C)o1 ZINC000601064871 346742332 /nfs/dbraw/zinc/74/23/32/346742332.db2.gz SFYKXIFQCDFFQO-BXKDBHETSA-N -1 0 288.307 2.444 20 5 CEBDRM O=C([O-])c1cc(NC[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000086016927 179216785 /nfs/dbraw/zinc/21/67/85/179216785.db2.gz IWJHCCJCKSOZSC-RNCFNFMXSA-N -1 0 294.307 2.256 20 5 CEBDRM CC(C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128555009 187377509 /nfs/dbraw/zinc/37/75/09/187377509.db2.gz PJIVLFFTDKGACF-MRVPVSSYSA-N -1 0 290.316 2.057 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1F ZINC000611535885 347792235 /nfs/dbraw/zinc/79/22/35/347792235.db2.gz FCLKEFBRUDALPL-GZMMTYOYSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCC1 ZINC000614007050 348133090 /nfs/dbraw/zinc/13/30/90/348133090.db2.gz BTNRUSFLMJUCAL-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCC1 ZINC000614007051 348133196 /nfs/dbraw/zinc/13/31/96/348133196.db2.gz BTNRUSFLMJUCAL-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)F ZINC000619422116 349176906 /nfs/dbraw/zinc/17/69/06/349176906.db2.gz XZNCBTSUPFIDBT-UHFFFAOYSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cnc(N[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000090691692 180024425 /nfs/dbraw/zinc/02/44/25/180024425.db2.gz RHOUMTHVYIIZAP-SECBINFHSA-N -1 0 267.285 2.209 20 5 CEBDRM Cc1cnc(NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000090691650 180024448 /nfs/dbraw/zinc/02/44/48/180024448.db2.gz AQRKRNPQQWFYHP-UHFFFAOYSA-N -1 0 279.296 2.354 20 5 CEBDRM O=C([O-])c1ccc(COc2cccnc2[N+](=O)[O-])s1 ZINC000109600383 186266773 /nfs/dbraw/zinc/26/67/73/186266773.db2.gz VSLLLQQIFCMBRS-UHFFFAOYSA-N -1 0 280.261 2.329 20 5 CEBDRM C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000111253581 186378006 /nfs/dbraw/zinc/37/80/06/186378006.db2.gz JJHFKOKVJOTQLQ-CBAPKCEASA-N -1 0 284.699 2.405 20 5 CEBDRM CSCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000070243448 363060059 /nfs/dbraw/zinc/06/00/59/363060059.db2.gz FTIAUVYMNRXUMU-UHFFFAOYSA-N -1 0 256.283 2.068 20 5 CEBDRM Cc1ccc([C@@H](C)NC(=O)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000569343519 299196928 /nfs/dbraw/zinc/19/69/28/299196928.db2.gz FPCOXFWWRKXLSI-SECBINFHSA-N -1 0 294.307 2.191 20 5 CEBDRM C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000569935263 299228254 /nfs/dbraw/zinc/22/82/54/299228254.db2.gz LOMGMLVFQMDMHL-PRHODGIISA-N -1 0 284.337 2.199 20 5 CEBDRM COc1ccc(NC(=O)CC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000078880339 363553606 /nfs/dbraw/zinc/55/36/06/363553606.db2.gz WCYJUVKJGVVGPB-UHFFFAOYSA-N -1 0 296.279 2.043 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575751708 366357505 /nfs/dbraw/zinc/35/75/05/366357505.db2.gz JFKFJTRJRKMAJM-UWVGGRQHSA-N -1 0 282.271 2.311 20 5 CEBDRM CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)F ZINC000452239526 283227606 /nfs/dbraw/zinc/22/76/06/283227606.db2.gz CQHJWQVWGGPZKZ-SSDOTTSWSA-N -1 0 274.223 2.074 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)F ZINC000452241760 283228062 /nfs/dbraw/zinc/22/80/62/283228062.db2.gz CLQPNEMMJAPGRZ-SSDOTTSWSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cc(NC[C@H](C)C[C@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578656249 366528650 /nfs/dbraw/zinc/52/86/50/366528650.db2.gz NJXHZECBYHJTHC-SCZZXKLOSA-N -1 0 296.323 2.420 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000338926034 366574080 /nfs/dbraw/zinc/57/40/80/366574080.db2.gz ODMZMQWZONRLEM-UONOGXRCSA-N -1 0 278.308 2.054 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000579012010 366581442 /nfs/dbraw/zinc/58/14/42/366581442.db2.gz XMHNZSJCJXKXBR-RKDXNWHRSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000579359880 366633138 /nfs/dbraw/zinc/63/31/38/366633138.db2.gz VUIFQTDDAFSFRI-HTRCEHHLSA-N -1 0 272.207 2.359 20 5 CEBDRM CCN(CC1CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151286573 366636255 /nfs/dbraw/zinc/63/62/55/366636255.db2.gz CKSCUGSIIQLJFI-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000081809129 363742580 /nfs/dbraw/zinc/74/25/80/363742580.db2.gz USOAMULCNDNZMG-MRVPVSSYSA-N -1 0 252.270 2.171 20 5 CEBDRM CCC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000183019498 189342844 /nfs/dbraw/zinc/34/28/44/189342844.db2.gz NMKFHYPUTDBUCZ-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM O=C([O-])CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000084142409 363799342 /nfs/dbraw/zinc/79/93/42/363799342.db2.gz UXEIUFKTNZGAOX-UHFFFAOYSA-N -1 0 292.291 2.112 20 5 CEBDRM Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000019264862 361524567 /nfs/dbraw/zinc/52/45/67/361524567.db2.gz ZBBNVOTZRUSKOM-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000019282209 361525827 /nfs/dbraw/zinc/52/58/27/361525827.db2.gz JKTMZQKPGFUFOU-PELKAZGASA-N -1 0 294.307 2.132 20 5 CEBDRM CCCC[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000019754038 361549951 /nfs/dbraw/zinc/54/99/51/361549951.db2.gz JTRYSOPVPRKLIQ-QMMMGPOBSA-N -1 0 253.258 2.045 20 5 CEBDRM CCC[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000087486402 363856474 /nfs/dbraw/zinc/85/64/74/363856474.db2.gz SOJDWOLAGUURFJ-LLVKDONJSA-N -1 0 294.307 2.134 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237423505 370720265 /nfs/dbraw/zinc/72/02/65/370720265.db2.gz YZOVOXALBJZWPN-PRHODGIISA-N -1 0 292.291 2.211 20 5 CEBDRM CSCCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356583149 370762996 /nfs/dbraw/zinc/76/29/96/370762996.db2.gz UTOJWASJYCJZJK-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356603951 370770643 /nfs/dbraw/zinc/77/06/43/370770643.db2.gz WCOISTHJJNGJKV-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000096848018 304115567 /nfs/dbraw/zinc/11/55/67/304115567.db2.gz BLIJDPJTOUEPFZ-LBPRGKRZSA-N -1 0 287.275 2.196 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000057460452 304115197 /nfs/dbraw/zinc/11/51/97/304115197.db2.gz QYZSBAKPJJUKRX-ZDUSSCGKSA-N -1 0 287.275 2.196 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H]2C)n1 ZINC000572124355 299347890 /nfs/dbraw/zinc/34/78/90/299347890.db2.gz RZGAMYONTOBFCH-VXNVDRBHSA-N -1 0 279.296 2.231 20 5 CEBDRM CC(C)C1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119161600 365227038 /nfs/dbraw/zinc/22/70/38/365227038.db2.gz ZOUZVWXUTITJCC-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM CC[C@H](C)n1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000343146157 367685412 /nfs/dbraw/zinc/68/54/12/367685412.db2.gz FAUKOXXEUOYXAB-QMMMGPOBSA-N -1 0 291.311 2.073 20 5 CEBDRM C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCCS1 ZINC000182102724 368524868 /nfs/dbraw/zinc/52/48/68/368524868.db2.gz WXBNSVTXTADWJE-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[nH]1 ZINC000182135134 368527469 /nfs/dbraw/zinc/52/74/69/368527469.db2.gz OCRBOLSLTSIBDR-UHFFFAOYSA-N -1 0 290.279 2.399 20 5 CEBDRM CCO[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186071146 368916147 /nfs/dbraw/zinc/91/61/47/368916147.db2.gz AWVPMWHVWHVNFE-ZCFIWIBFSA-N -1 0 288.687 2.317 20 5 CEBDRM CC(C)CSCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354327449 370316122 /nfs/dbraw/zinc/31/61/22/370316122.db2.gz ILECYPRZIPMMPS-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM CN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000227875742 370387922 /nfs/dbraw/zinc/38/79/22/370387922.db2.gz YUTLZMAKHJBVLJ-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232688906 370508356 /nfs/dbraw/zinc/50/83/56/370508356.db2.gz MNWREHUKVXJGLT-MRVPVSSYSA-N -1 0 252.270 2.075 20 5 CEBDRM O=C(NCC1CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269108359 372343449 /nfs/dbraw/zinc/34/34/49/372343449.db2.gz CEKKSXGGFBXHGD-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC(C)CSCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272667509 373606357 /nfs/dbraw/zinc/60/63/57/373606357.db2.gz JJGCYJOAWBPIDF-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@H](C2CC2)C1 ZINC000376120396 374695841 /nfs/dbraw/zinc/69/58/41/374695841.db2.gz YGNIFNYIKJQLMQ-JTQLQIEISA-N -1 0 276.292 2.173 20 5 CEBDRM CC(C)[C@@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000383613071 375203272 /nfs/dbraw/zinc/20/32/72/375203272.db2.gz YPELHYXWFCHXLP-SECBINFHSA-N -1 0 279.296 2.170 20 5 CEBDRM CCN(CC1CC1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262461530 190055458 /nfs/dbraw/zinc/05/54/58/190055458.db2.gz YDWXHNHKKNGQOL-UHFFFAOYSA-N -1 0 292.291 2.165 20 5 CEBDRM C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])CC(=O)[O-] ZINC000563214220 377131258 /nfs/dbraw/zinc/13/12/58/377131258.db2.gz RUNWKHBFGWRECF-VIFPVBQESA-N -1 0 289.291 2.088 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000312354289 249372514 /nfs/dbraw/zinc/37/25/14/249372514.db2.gz FZKWTIVUUKJFIN-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC(F)(F)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000295605114 378232930 /nfs/dbraw/zinc/23/29/30/378232930.db2.gz PKAJWINZRSJOQI-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000295765869 378294506 /nfs/dbraw/zinc/29/45/06/378294506.db2.gz OTEVHKQOMCQSKC-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OC ZINC000295988292 378382761 /nfs/dbraw/zinc/38/27/61/378382761.db2.gz JZWYIUYWAVMTIQ-SKDRFNHKSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000237984944 304222626 /nfs/dbraw/zinc/22/26/26/304222626.db2.gz VYCBLKBNDXYKPP-LLVKDONJSA-N -1 0 290.275 2.132 20 5 CEBDRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458112652 380012988 /nfs/dbraw/zinc/01/29/88/380012988.db2.gz HCKSYYLQJPRHHA-TZMCWYRMSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237661409 296309768 /nfs/dbraw/zinc/30/97/68/296309768.db2.gz CDCPZXZAPUESJU-SECBINFHSA-N -1 0 292.291 2.308 20 5 CEBDRM Cc1nc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cs1 ZINC000354341747 220686761 /nfs/dbraw/zinc/68/67/61/220686761.db2.gz DBVIOSBLWRRSFG-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000211463184 394448298 /nfs/dbraw/zinc/44/82/98/394448298.db2.gz JMZYDYLAHDPGRS-VIFPVBQESA-N -1 0 294.307 2.297 20 5 CEBDRM CC(C)OC(=O)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412994809 394455308 /nfs/dbraw/zinc/45/53/08/394455308.db2.gz BWDGSDLVVLNPDE-UHFFFAOYSA-N -1 0 285.321 2.485 20 5 CEBDRM O=C(Nc1nccs1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130293112 394884674 /nfs/dbraw/zinc/88/46/74/394884674.db2.gz SHRQITCIXFEJAT-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM CC1=C(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000281831457 394858069 /nfs/dbraw/zinc/85/80/69/394858069.db2.gz OXHDGLSHPYIWBO-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436737904 395150854 /nfs/dbraw/zinc/15/08/54/395150854.db2.gz KJZSJWVXWPPROR-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N(CC(F)F)C1CC1 ZINC000436662037 395142006 /nfs/dbraw/zinc/14/20/06/395142006.db2.gz AYGHSXLBGIQGOR-UHFFFAOYSA-N -1 0 286.234 2.170 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436919496 395164310 /nfs/dbraw/zinc/16/43/10/395164310.db2.gz OAPOTCJUUSPEDK-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000436956251 395167379 /nfs/dbraw/zinc/16/73/79/395167379.db2.gz LPBUTGCAPPESBG-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM CC(C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436993145 395171561 /nfs/dbraw/zinc/17/15/61/395171561.db2.gz YVTNYYJLQCHTEO-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436997316 395173066 /nfs/dbraw/zinc/17/30/66/395173066.db2.gz IDBWKNSRFZWAAR-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194745274 395447500 /nfs/dbraw/zinc/44/75/00/395447500.db2.gz CWPNLIRJUVEWAB-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C/C=C\C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000565400052 395469909 /nfs/dbraw/zinc/46/99/09/395469909.db2.gz OOFWGIMQXRJXIC-QUCGXOGASA-N -1 0 293.279 2.136 20 5 CEBDRM C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000444477835 395433636 /nfs/dbraw/zinc/43/36/36/395433636.db2.gz HUJIXOYZZLAMRY-RKDXNWHRSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000355408202 395439616 /nfs/dbraw/zinc/43/96/16/395439616.db2.gz MDNBWXDEOJBAPV-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573122400 395600755 /nfs/dbraw/zinc/60/07/55/395600755.db2.gz GMAAHGHUTCFQFA-DTWKUNHWSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000458276846 395641188 /nfs/dbraw/zinc/64/11/88/395641188.db2.gz GXNQACZKJSIEKP-UBHAPETDSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCC(=O)[O-] ZINC000263127118 154021645 /nfs/dbraw/zinc/02/16/45/154021645.db2.gz XSCSBPYUZQOWCU-UHFFFAOYSA-N -1 0 295.295 2.150 20 5 CEBDRM CC(C)[C@@H](O)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564800032 298847981 /nfs/dbraw/zinc/84/79/81/298847981.db2.gz ATQUFBRGKJGFLG-LBPRGKRZSA-N -1 0 282.296 2.112 20 5 CEBDRM CC(C)[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000037453271 173219246 /nfs/dbraw/zinc/21/92/46/173219246.db2.gz NQUYNVSKXACTRZ-JTQLQIEISA-N -1 0 256.233 2.255 20 5 CEBDRM O=C([O-])C1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000037561786 173272663 /nfs/dbraw/zinc/27/26/63/173272663.db2.gz OQEFRAQGBRPDHZ-UHFFFAOYSA-N -1 0 265.269 2.045 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000038021149 174000258 /nfs/dbraw/zinc/00/02/58/174000258.db2.gz VWTOUZKDIWWUEN-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM Cc1cc(Nc2c([N+](=O)[O-])ncn2C)ccc1C(=O)[O-] ZINC000044750231 175244949 /nfs/dbraw/zinc/24/49/49/175244949.db2.gz CEVSGPGLECTFLU-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436806826 262968893 /nfs/dbraw/zinc/96/88/93/262968893.db2.gz WJOXMAPWYJZLIP-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(NCc1cccs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000105941512 270232510 /nfs/dbraw/zinc/23/25/10/270232510.db2.gz ZMEGUCXWBATGKL-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM C[C@H]1CC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000398119302 270357268 /nfs/dbraw/zinc/35/72/68/270357268.db2.gz AHVXUWJXORHPCC-WCBMZHEXSA-N -1 0 280.280 2.272 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC(CC(F)F)C1 ZINC000425073243 271119807 /nfs/dbraw/zinc/11/98/07/271119807.db2.gz FKKQHYDIYVVVNK-UHFFFAOYSA-N -1 0 286.234 2.028 20 5 CEBDRM Cc1cnccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000133793381 280005908 /nfs/dbraw/zinc/00/59/08/280005908.db2.gz CPMLWFSBUIAXIN-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](CC(C)C)C(=O)[O-] ZINC000336850033 288677585 /nfs/dbraw/zinc/67/75/85/288677585.db2.gz VNNAHGVWMVOXGG-JTQLQIEISA-N -1 0 298.343 2.278 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])nc2)CCCCC1 ZINC000165668731 297463682 /nfs/dbraw/zinc/46/36/82/297463682.db2.gz TZSPPWRKTONIJW-UHFFFAOYSA-N -1 0 279.296 2.437 20 5 CEBDRM CN(c1nc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000166645830 297465207 /nfs/dbraw/zinc/46/52/07/297465207.db2.gz NHNIEDTUUYZLAA-UHFFFAOYSA-N -1 0 279.296 2.457 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C ZINC000273360308 300193662 /nfs/dbraw/zinc/19/36/62/300193662.db2.gz ALAJMLIZUSYQCT-IUCAKERBSA-N -1 0 264.281 2.028 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])CC1 ZINC000037115758 301431170 /nfs/dbraw/zinc/43/11/70/301431170.db2.gz IYMJQJYPKVJGKT-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@@H]1C[C@@H]1c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000571735156 314103676 /nfs/dbraw/zinc/10/36/76/314103676.db2.gz NMSRFBJCZJCHCO-LDWIPMOCSA-N -1 0 261.237 2.474 20 5 CEBDRM Cc1cc(N[C@H]2CO[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576878118 314319116 /nfs/dbraw/zinc/31/91/16/314319116.db2.gz YYTMEXMAMSNLDI-PSASIEDQSA-N -1 0 280.280 2.191 20 5 CEBDRM C[C@@H]1CCCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000578015880 314437038 /nfs/dbraw/zinc/43/70/38/314437038.db2.gz ACMRBPLTIQDXPO-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000578801739 314518172 /nfs/dbraw/zinc/51/81/72/314518172.db2.gz TWNLVVONTDMPSF-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1cc(NC[C@@H](CO)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479663 314591302 /nfs/dbraw/zinc/59/13/02/314591302.db2.gz YPEZCRRWUPNAIY-JTQLQIEISA-N -1 0 294.307 2.032 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000380373465 321830071 /nfs/dbraw/zinc/83/00/71/321830071.db2.gz DPQSIZJEYRZGNW-PHIMTYICSA-N -1 0 276.292 2.028 20 5 CEBDRM C[C@@H](O)C[C@@H](C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397811973 329397530 /nfs/dbraw/zinc/39/75/30/329397530.db2.gz JLCNZZGNTOPEPM-RKDXNWHRSA-N -1 0 282.296 2.112 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1C1CC1 ZINC000364995784 526628410 /nfs/dbraw/zinc/62/84/10/526628410.db2.gz PSSZZARYZAQBJF-GFCCVEGCSA-N -1 0 276.292 2.315 20 5 CEBDRM CC(C)C1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000357178757 527621836 /nfs/dbraw/zinc/62/18/36/527621836.db2.gz PCYWUDXLQOSMNF-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1nn(C)c(Oc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000048802146 527680496 /nfs/dbraw/zinc/68/04/96/527680496.db2.gz RUZYONDZGAJTKQ-UHFFFAOYSA-N -1 0 277.236 2.127 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000413984104 527903759 /nfs/dbraw/zinc/90/37/59/527903759.db2.gz FEPCSMYSJJTEJV-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM Cc1cc(NC[C@H]2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000740090617 574440937 /nfs/dbraw/zinc/44/09/37/574440937.db2.gz FORZCFFBUYYEFV-LLVKDONJSA-N -1 0 279.296 2.458 20 5 CEBDRM O=C(OCCc1ccc(F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000732518154 574622650 /nfs/dbraw/zinc/62/26/50/574622650.db2.gz KKNCMPZSQYFCFU-UHFFFAOYSA-N -1 0 278.239 2.462 20 5 CEBDRM C[C@H]1C[C@@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736762505 574796068 /nfs/dbraw/zinc/79/60/68/574796068.db2.gz BGBDNBOBEWONJZ-XNCJUZBTSA-N -1 0 281.224 2.022 20 5 CEBDRM CC[C@@H](CCO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736905532 574799504 /nfs/dbraw/zinc/79/95/04/574799504.db2.gz UBXVXROIQFOIMH-QZPNVGJNSA-N -1 0 294.307 2.266 20 5 CEBDRM CCC[C@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000736963445 574800589 /nfs/dbraw/zinc/80/05/89/574800589.db2.gz YVWCWMKFKIFRRK-ZDUSSCGKSA-N -1 0 284.287 2.467 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCCC(=O)[O-] ZINC000738248792 574855786 /nfs/dbraw/zinc/85/57/86/574855786.db2.gz BLINFLYVQQUBHJ-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739035665 574890681 /nfs/dbraw/zinc/89/06/81/574890681.db2.gz IDKNWIWGIHFFBM-NXEZZACHSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739193057 574899193 /nfs/dbraw/zinc/89/91/93/574899193.db2.gz KQMMGYGGBZTVHL-JOYOIKCWSA-N -1 0 279.296 2.077 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739239596 574902158 /nfs/dbraw/zinc/90/21/58/574902158.db2.gz SDBJZEAOJCSZIB-KWQFWETISA-N -1 0 295.295 2.216 20 5 CEBDRM Cc1ccnc(NC2CCC(NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740197084 574947684 /nfs/dbraw/zinc/94/76/84/574947684.db2.gz YQDPZDGHHPGSDN-UHFFFAOYSA-N -1 0 294.311 2.289 20 5 CEBDRM O=C([O-])N(CCNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000740488933 574956091 /nfs/dbraw/zinc/95/60/91/574956091.db2.gz TZCSSHQYBXDBAV-UHFFFAOYSA-N -1 0 283.259 2.288 20 5 CEBDRM CC(C)(C)OCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000162795828 600461928 /nfs/dbraw/zinc/46/19/28/600461928.db2.gz OVSFYCFTUHHEPG-UHFFFAOYSA-N -1 0 283.280 2.487 20 5 CEBDRM O=C([O-])c1cc(NC(=O)[C@H]2CCCS2)cc([N+](=O)[O-])c1 ZINC000833299721 600787190 /nfs/dbraw/zinc/78/71/90/600787190.db2.gz GROCDYMSLJADGE-SNVBAGLBSA-N -1 0 296.304 2.127 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NCc2ccon2)c([N+](=O)[O-])c1 ZINC000833197241 601335364 /nfs/dbraw/zinc/33/53/64/601335364.db2.gz NFVZZGMGRVBLAB-RQOWECAXSA-N -1 0 289.247 2.293 20 5 CEBDRM C/C(=C\COC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000825775681 601407109 /nfs/dbraw/zinc/40/71/09/601407109.db2.gz YFFQULMCQNRZHG-QPJJXVBHSA-N -1 0 299.666 2.436 20 5 CEBDRM CC1CC(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000828156871 601502608 /nfs/dbraw/zinc/50/26/08/601502608.db2.gz TZFUMSYQPZDDLG-UHFFFAOYSA-N -1 0 278.264 2.278 20 5 CEBDRM O=C([O-])CCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078040815 601564619 /nfs/dbraw/zinc/56/46/19/601564619.db2.gz XJXBTQKPICICKN-UHFFFAOYSA-N -1 0 286.265 2.460 20 5 CEBDRM CCCCC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000829333198 601646862 /nfs/dbraw/zinc/64/68/62/601646862.db2.gz JWBFOWXDMCXRDJ-NSHDSACASA-N -1 0 294.307 2.358 20 5 CEBDRM C/C(=C/COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000825774385 601680965 /nfs/dbraw/zinc/68/09/65/601680965.db2.gz DCWOLGDLGFSHIL-CLTKARDFSA-N -1 0 297.238 2.230 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2C(=O)[O-])c1 ZINC000829510573 603189729 /nfs/dbraw/zinc/18/97/29/603189729.db2.gz KHOVPYCFANJLIK-SECBINFHSA-N -1 0 295.295 2.158 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](N(C)C(=O)[O-])C2)c1 ZINC000830428012 603555642 /nfs/dbraw/zinc/55/56/42/603555642.db2.gz QGIHGVSTJYFXEL-JTQLQIEISA-N -1 0 279.296 2.092 20 5 CEBDRM Cc1cc(N(C)CC(C)(C)CNC(=O)[O-])ncc1[N+](=O)[O-] ZINC000830074005 603581517 /nfs/dbraw/zinc/58/15/17/603581517.db2.gz ZRHDIVRFNKXHTN-UHFFFAOYSA-N -1 0 296.327 2.028 20 5 CEBDRM CCOc1cc(NCCCNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000827418984 604218392 /nfs/dbraw/zinc/21/83/92/604218392.db2.gz VDHRPWYPWLJUBY-UHFFFAOYSA-N -1 0 283.284 2.063 20 5 CEBDRM C[C@@]1(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000833569926 604562467 /nfs/dbraw/zinc/56/24/67/604562467.db2.gz ARRFHHQVFJCGOS-LYKUJDHUSA-N -1 0 292.291 2.284 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000263383143 604831306 /nfs/dbraw/zinc/83/13/06/604831306.db2.gz DAYYTKSBCLEHLZ-CYBMUJFWSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000825845332 605481337 /nfs/dbraw/zinc/48/13/37/605481337.db2.gz ORRAFUHCVLWBIO-RKDXNWHRSA-N -1 0 297.286 2.359 20 5 CEBDRM O=C([O-])N1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000834111592 605695023 /nfs/dbraw/zinc/69/50/23/605695023.db2.gz MBLSHEKWUNJKSU-UHFFFAOYSA-N -1 0 294.292 2.310 20 5 CEBDRM O=C([O-])N1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000834097655 605991850 /nfs/dbraw/zinc/99/18/50/605991850.db2.gz DBQRNOUDUAVRJL-QMMMGPOBSA-N -1 0 285.325 2.458 20 5 CEBDRM CS[C@@H]1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000235114728 624617314 /nfs/dbraw/zinc/61/73/14/624617314.db2.gz NCTDZSOJXBKXBM-RKDXNWHRSA-N -1 0 297.336 2.384 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1cccc[n+]1[O-] ZINC000821057610 634616734 /nfs/dbraw/zinc/61/67/34/634616734.db2.gz CNQHKXNATPCRRD-UHFFFAOYSA-N -1 0 278.289 2.226 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000123430220 628381520 /nfs/dbraw/zinc/38/15/20/628381520.db2.gz KPEMJZOUWLOQRG-CQSZACIVSA-N -1 0 293.323 2.379 20 5 CEBDRM O=C(/C=C\[C@@H]1CCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000821398972 634710596 /nfs/dbraw/zinc/71/05/96/634710596.db2.gz WAZYGFZZKMTFNF-RNZFLTOJSA-N -1 0 293.275 2.079 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000148360272 631094914 /nfs/dbraw/zinc/09/49/14/631094914.db2.gz HAUKTDHCNSHTFK-SECBINFHSA-N -1 0 299.714 2.477 20 5 CEBDRM CON(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000803105411 631512932 /nfs/dbraw/zinc/51/29/32/631512932.db2.gz MSYRGSUQRKDANN-UHFFFAOYSA-N -1 0 280.280 2.247 20 5 CEBDRM O=c1cc(CC2CC2)[nH]n1-c1ccc([N+](=O)[O-])cc1 ZINC000899348623 632798530 /nfs/dbraw/zinc/79/85/30/632798530.db2.gz FTKCZEHBSWDVHA-UHFFFAOYSA-N -1 0 259.265 2.488 20 5 CEBDRM Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)o1 ZINC000816429448 633380954 /nfs/dbraw/zinc/38/09/54/633380954.db2.gz DFZQSQRLWQVNJZ-UHFFFAOYSA-N -1 0 250.210 2.181 20 5 CEBDRM COCC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCCC1 ZINC000817747248 633734474 /nfs/dbraw/zinc/73/44/74/633734474.db2.gz LQKXMLRNPFOVKJ-UHFFFAOYSA-N -1 0 282.296 2.287 20 5 CEBDRM Cc1cc(N2CC[C@H](C(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC000841487901 634181601 /nfs/dbraw/zinc/18/16/01/634181601.db2.gz DNDQRWUFZHNZRR-QMMMGPOBSA-N -1 0 284.699 2.468 20 5 CEBDRM CCCCC[C@H](O)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000827799276 636424701 /nfs/dbraw/zinc/42/47/01/636424701.db2.gz WYEKMOISGNXTBP-LBPRGKRZSA-N -1 0 282.296 2.180 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000828634524 636647126 /nfs/dbraw/zinc/64/71/26/636647126.db2.gz QWDWWNICUYUTDN-ZDUSSCGKSA-N -1 0 298.270 2.107 20 5 CEBDRM CC[C@@H]1COCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910343410 638007680 /nfs/dbraw/zinc/00/76/80/638007680.db2.gz KXYNYWRRCRXKBO-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM COC[C@@H]1CCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910358671 638014610 /nfs/dbraw/zinc/01/46/10/638014610.db2.gz UJNDCCKFNVDKPN-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM CO[C@@H]1CC[C@H]1N(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000910387996 638033768 /nfs/dbraw/zinc/03/37/68/638033768.db2.gz BURZEXWAXDJOIL-ZWNOBZJWSA-N -1 0 294.307 2.215 20 5 CEBDRM O=C(CC[C@@H]1CCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837422606 639223082 /nfs/dbraw/zinc/22/30/82/639223082.db2.gz UVPCGYNSPKFERL-LBPRGKRZSA-N -1 0 295.291 2.303 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000044619559 639347746 /nfs/dbraw/zinc/34/77/46/639347746.db2.gz NOGDRPPGAIXWMM-SECBINFHSA-N -1 0 252.270 2.203 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])cc1F ZINC000044619490 639348248 /nfs/dbraw/zinc/34/82/48/639348248.db2.gz SJKHOWJUDHCQAP-VIFPVBQESA-N -1 0 256.233 2.033 20 5 CEBDRM Cc1ccc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC000227574804 639595628 /nfs/dbraw/zinc/59/56/28/639595628.db2.gz JEACFPFHGCZVOP-NXEZZACHSA-N -1 0 264.281 2.203 20 5 CEBDRM Cc1ccc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000312569747 640039684 /nfs/dbraw/zinc/03/96/84/640039684.db2.gz SEVUWKFERIBMBY-MNOVXSKESA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)CC(F)F ZINC000842439786 640058975 /nfs/dbraw/zinc/05/89/75/640058975.db2.gz SIOKDNHXAWIENA-ZCFIWIBFSA-N -1 0 262.212 2.371 20 5 CEBDRM O=C(NOCC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843893662 640552088 /nfs/dbraw/zinc/55/20/88/640552088.db2.gz PMBQMOMTONIEAG-UHFFFAOYSA-N -1 0 286.671 2.025 20 5 CEBDRM CCON(C(=O)c1cccc([O-])c1[N+](=O)[O-])C(C)C ZINC000844074952 640592900 /nfs/dbraw/zinc/59/29/00/640592900.db2.gz WCPBQQCMHOBGAV-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM CCCO[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000844086060 640601154 /nfs/dbraw/zinc/60/11/54/640601154.db2.gz ULKIKSQRLCFHOY-UHFFFAOYSA-N -1 0 274.223 2.144 20 5 CEBDRM CCCONC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000844089505 640603093 /nfs/dbraw/zinc/60/30/93/640603093.db2.gz UGOWNSRRZXQLLV-UHFFFAOYSA-N -1 0 274.660 2.025 20 5 CEBDRM Cc1cc(N2CCOC[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210154 640632708 /nfs/dbraw/zinc/63/27/08/640632708.db2.gz PVQARYIQNYRTJW-SECBINFHSA-N -1 0 294.307 2.074 20 5 CEBDRM CC(C)[C@]1(C(=O)[O-])CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000844219876 640635147 /nfs/dbraw/zinc/63/51/47/640635147.db2.gz WXXCKBRKJWMBPE-AWEZNQCLSA-N -1 0 293.323 2.114 20 5 CEBDRM CCO[C@@H]1[C@H](C)[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000923450733 643720971 /nfs/dbraw/zinc/72/09/71/643720971.db2.gz ICHRWWVUCWFKLB-BZHVJNSISA-N -1 0 295.291 2.015 20 5 CEBDRM Cc1[nH]c(C=O)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000774079531 646801125 /nfs/dbraw/zinc/80/11/25/646801125.db2.gz CLQODCOWKYINNI-UHFFFAOYSA-N -1 0 289.247 2.002 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000693025152 802551055 /nfs/dbraw/zinc/55/10/55/802551055.db2.gz AUCLKMHOFLIGFC-KYZUINATSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000693028923 802553768 /nfs/dbraw/zinc/55/37/68/802553768.db2.gz QEUHZZXQJNNPHV-LJGSYFOKSA-N -1 0 254.217 2.009 20 5 CEBDRM Cc1ccc(NC[C@@H]2C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000715311329 814946630 /nfs/dbraw/zinc/94/66/30/814946630.db2.gz BDVUWNVOLWILBR-IUCAKERBSA-N -1 0 250.254 2.036 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCSC1 ZINC000037175553 815022679 /nfs/dbraw/zinc/02/26/79/815022679.db2.gz RKMWMFSBBQSRNG-SECBINFHSA-N -1 0 282.321 2.235 20 5 CEBDRM O=C([O-])c1cc(N2CCC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000711523245 810082008 /nfs/dbraw/zinc/08/20/08/810082008.db2.gz VJARIPJVSHBGMB-VIFPVBQESA-N -1 0 282.271 2.479 20 5 CEBDRM COc1cc([N+](=O)[O-])c(NCc2cc(=O)[n-]o2)cc1F ZINC001169485603 811530331 /nfs/dbraw/zinc/53/03/31/811530331.db2.gz QGGFLIFEJGOWTR-UHFFFAOYSA-N -1 0 283.215 2.048 20 5 CEBDRM Nc1ccc2cn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)nc2c1 ZINC001174504468 816029952 /nfs/dbraw/zinc/02/99/52/816029952.db2.gz OUOUERMWUJEUQW-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000034573620 361791524 /nfs/dbraw/zinc/79/15/24/361791524.db2.gz YOXHRFQQVWNYBM-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CCCC[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000035098570 361810867 /nfs/dbraw/zinc/81/08/67/361810867.db2.gz UUYXQELAFCVPSL-JTQLQIEISA-N -1 0 294.307 2.276 20 5 CEBDRM CC[C@@H](CCO)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000567739380 299084290 /nfs/dbraw/zinc/08/42/90/299084290.db2.gz MAXNZEMRXGYJKH-JTQLQIEISA-N -1 0 296.323 2.422 20 5 CEBDRM CN(C[C@H]1CCCCO1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042278333 362077331 /nfs/dbraw/zinc/07/73/31/362077331.db2.gz ZAFCUBDNJMVYGL-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM O=c1cc(C2CCC2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000601933389 346929929 /nfs/dbraw/zinc/92/99/29/346929929.db2.gz ZRIMURUZLBWOGA-UHFFFAOYSA-N -1 0 259.265 2.488 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC[C@@H]2C ZINC000601936879 346932829 /nfs/dbraw/zinc/93/28/29/346932829.db2.gz WUNKBZPHVYOIQY-WPRPVWTQSA-N -1 0 289.291 2.352 20 5 CEBDRM Cc1cc(NCCC[C@@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567978367 299103268 /nfs/dbraw/zinc/10/32/68/299103268.db2.gz CEGPXDYXVVZRFT-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM Cc1cc(NC[C@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567981567 299104634 /nfs/dbraw/zinc/10/46/34/299104634.db2.gz PMPHRHDQHFRTDK-SNVBAGLBSA-N -1 0 294.307 2.440 20 5 CEBDRM COCCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000521253040 260240511 /nfs/dbraw/zinc/24/05/11/260240511.db2.gz SAMCIZZPYDHMIL-UHFFFAOYSA-N -1 0 282.296 2.074 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000591326787 345240513 /nfs/dbraw/zinc/24/05/13/345240513.db2.gz IMUVVFGRCFNZNM-MRVPVSSYSA-N -1 0 270.310 2.347 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000591561599 345264044 /nfs/dbraw/zinc/26/40/44/345264044.db2.gz RIHJBBHKJMNURG-JGVFFNPUSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])c1ccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)cc1 ZINC000592454235 345355207 /nfs/dbraw/zinc/35/52/07/345355207.db2.gz MSMCIYNDOQVFRI-UHFFFAOYSA-N -1 0 287.275 2.415 20 5 CEBDRM Cc1cc(N[C@H]2C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970183 345417247 /nfs/dbraw/zinc/41/72/47/345417247.db2.gz RRMSGMLVXUWYQZ-WKEGUHRASA-N -1 0 250.254 2.422 20 5 CEBDRM C[C@H]1COCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592975983 345417854 /nfs/dbraw/zinc/41/78/54/345417854.db2.gz GCFNWYRQAFHGTI-GXSJLCMTSA-N -1 0 294.307 2.378 20 5 CEBDRM O=C([O-])c1cnc(NCC2(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000592979311 345417866 /nfs/dbraw/zinc/41/78/66/345417866.db2.gz DYVVBVFJHAQTRI-UHFFFAOYSA-N -1 0 287.222 2.145 20 5 CEBDRM CO[C@@]1(C)C[C@H]1Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000595280663 345753952 /nfs/dbraw/zinc/75/39/52/345753952.db2.gz UMJJHVWJRDIXQD-MFKMUULPSA-N -1 0 280.280 2.191 20 5 CEBDRM O=C(Nc1cccc2c[nH]nc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159952358 232249583 /nfs/dbraw/zinc/24/95/83/232249583.db2.gz UKMFHSMWHCDIAG-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000595969486 345919089 /nfs/dbraw/zinc/91/90/89/345919089.db2.gz QOYDYNIDBALJCI-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1NCC1(C(=O)[O-])CCC1 ZINC000595971991 345919656 /nfs/dbraw/zinc/91/96/56/345919656.db2.gz YSGQFDVQSIVQAL-UHFFFAOYSA-N -1 0 280.280 2.270 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598184324 346301812 /nfs/dbraw/zinc/30/18/12/346301812.db2.gz KBJZPLNVMLVPLR-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1(F)F ZINC000598218204 346308626 /nfs/dbraw/zinc/30/86/26/346308626.db2.gz JYVLIDKQTSVZNH-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM CN(Cc1cscn1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000063111986 362750153 /nfs/dbraw/zinc/75/01/53/362750153.db2.gz DEWJKHHDQOYJRA-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000600678581 346672104 /nfs/dbraw/zinc/67/21/04/346672104.db2.gz LMUJIZIVWACOOZ-ZWNOBZJWSA-N -1 0 292.291 2.272 20 5 CEBDRM CC(C)SCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336814458 365855118 /nfs/dbraw/zinc/85/51/18/365855118.db2.gz XFIJDJAJDVBIGC-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612555258 347900829 /nfs/dbraw/zinc/90/08/29/347900829.db2.gz ODMADSGCMJOSCC-MRVPVSSYSA-N -1 0 286.234 2.218 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273396888 192138454 /nfs/dbraw/zinc/13/84/54/192138454.db2.gz PWUSYMVYKOAUCR-VIFPVBQESA-N -1 0 266.297 2.417 20 5 CEBDRM C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000618023637 348856064 /nfs/dbraw/zinc/85/60/64/348856064.db2.gz KLRUZGCCYRXFMG-SFYZADRCSA-N -1 0 298.320 2.128 20 5 CEBDRM CC(C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)F ZINC000619422142 349176786 /nfs/dbraw/zinc/17/67/86/349176786.db2.gz ZLQZILHVLBFQCN-UHFFFAOYSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cnc(NCCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000090691627 180024355 /nfs/dbraw/zinc/02/43/55/180024355.db2.gz RXWWINQLRIIPDQ-UHFFFAOYSA-N -1 0 267.285 2.355 20 5 CEBDRM Cc1ncc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1 ZINC000494490624 290976551 /nfs/dbraw/zinc/97/65/51/290976551.db2.gz YTVPTBOPBNHLLV-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N(CC(F)F)C1CC1 ZINC000157835336 188341234 /nfs/dbraw/zinc/34/12/34/188341234.db2.gz DWOWDQBKPZNOMD-UHFFFAOYSA-N -1 0 286.234 2.170 20 5 CEBDRM Cc1cc(N2CC[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571050805 314069320 /nfs/dbraw/zinc/06/93/20/314069320.db2.gz VDRKDPYEMQELEI-QMMMGPOBSA-N -1 0 264.281 2.448 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000075385698 363460822 /nfs/dbraw/zinc/46/08/22/363460822.db2.gz JWSPHHGFWUIUFM-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H]1COC(C)(C)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000575872731 366369401 /nfs/dbraw/zinc/36/94/01/366369401.db2.gz WYSJDCRJULTVEX-VIFPVBQESA-N -1 0 294.307 2.297 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OC ZINC000452407895 283276081 /nfs/dbraw/zinc/27/60/81/283276081.db2.gz HVESHKBOIAFGIB-RNCFNFMXSA-N -1 0 296.323 2.091 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137093534 366535533 /nfs/dbraw/zinc/53/55/33/366535533.db2.gz LNRUMEGVCVUILR-JTQLQIEISA-N -1 0 294.307 2.134 20 5 CEBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339155979 366681043 /nfs/dbraw/zinc/68/10/43/366681043.db2.gz DZKTVCXEAPBPDT-CYBMUJFWSA-N -1 0 280.324 2.301 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000269275540 291256318 /nfs/dbraw/zinc/25/63/18/291256318.db2.gz IJERQCBXSDGJJJ-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(N[C@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182032110 189312346 /nfs/dbraw/zinc/31/23/46/189312346.db2.gz YBZVTGSWBIOWTA-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000581609535 366800975 /nfs/dbraw/zinc/80/09/75/366800975.db2.gz FPYWDPZASWTPKC-ZETCQYMHSA-N -1 0 284.699 2.436 20 5 CEBDRM CCOCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183915196 189370980 /nfs/dbraw/zinc/37/09/80/189370980.db2.gz OCGOROWJTYPHAX-UHFFFAOYSA-N -1 0 268.269 2.056 20 5 CEBDRM O=C([O-])CCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019519029 361541919 /nfs/dbraw/zinc/54/19/19/361541919.db2.gz WUDYYYPHJTUJNW-UHFFFAOYSA-N -1 0 259.645 2.492 20 5 CEBDRM CC(C)COCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531592 363977733 /nfs/dbraw/zinc/97/77/33/363977733.db2.gz LYHCQNFRDDLKPO-UHFFFAOYSA-N -1 0 282.296 2.302 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]1C1CC1 ZINC000092546618 364080179 /nfs/dbraw/zinc/08/01/79/364080179.db2.gz OAOXXOUKPBRZCP-UWVGGRQHSA-N -1 0 262.265 2.285 20 5 CEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000092546521 364081306 /nfs/dbraw/zinc/08/13/06/364081306.db2.gz AWFZHQRPCZHVBX-VIFPVBQESA-N -1 0 287.275 2.438 20 5 CEBDRM CCOc1cc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092922338 364118213 /nfs/dbraw/zinc/11/82/13/364118213.db2.gz QMBIJLGERVKYFT-GXSJLCMTSA-N -1 0 294.307 2.293 20 5 CEBDRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000094703425 364288997 /nfs/dbraw/zinc/28/89/97/364288997.db2.gz XIMNTKFGXLPSFK-SECBINFHSA-N -1 0 267.285 2.149 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000057463369 304115309 /nfs/dbraw/zinc/11/53/09/304115309.db2.gz BCPJZOMZFUJCOZ-LBPRGKRZSA-N -1 0 287.275 2.196 20 5 CEBDRM CCOc1cc(N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111890582 364766878 /nfs/dbraw/zinc/76/68/78/364766878.db2.gz OBAKRRILOJDMPZ-UHFFFAOYSA-N -1 0 282.296 2.295 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000062132958 304122840 /nfs/dbraw/zinc/12/28/40/304122840.db2.gz LDAJPGHYCYPODX-SSDOTTSWSA-N -1 0 270.672 2.159 20 5 CEBDRM CC(C)(CCO)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000582727856 366949480 /nfs/dbraw/zinc/94/94/80/366949480.db2.gz QFIJWQIUTWUWBP-UHFFFAOYSA-N -1 0 296.323 2.042 20 5 CEBDRM CC[C@H](CCO)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582847511 366967399 /nfs/dbraw/zinc/96/73/99/366967399.db2.gz SCDKUFBENQVOQC-SNVBAGLBSA-N -1 0 296.323 2.422 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160118060 366974628 /nfs/dbraw/zinc/97/46/28/366974628.db2.gz AGMRATALJZNYAH-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162426760 367159034 /nfs/dbraw/zinc/15/90/34/367159034.db2.gz KSDJRLUUIWEOTC-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000166874390 367329794 /nfs/dbraw/zinc/32/97/94/367329794.db2.gz NUNDPVOTNHEZGT-IUCAKERBSA-N -1 0 279.296 2.170 20 5 CEBDRM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000166164269 367319753 /nfs/dbraw/zinc/31/97/53/367319753.db2.gz AWLAIWNOKPDYAD-ZETCQYMHSA-N -1 0 250.254 2.285 20 5 CEBDRM CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C ZINC000343146156 367686145 /nfs/dbraw/zinc/68/61/45/367686145.db2.gz FAUKOXXEUOYXAB-MRVPVSSYSA-N -1 0 291.311 2.073 20 5 CEBDRM Cc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1[N+](=O)[O-] ZINC000172212082 367698316 /nfs/dbraw/zinc/69/83/16/367698316.db2.gz ZZAHKKSANSJZSM-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000172372962 367727932 /nfs/dbraw/zinc/72/79/32/367727932.db2.gz XPDCXBXELIKFPW-SNVBAGLBSA-N -1 0 262.265 2.139 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000184861488 368726267 /nfs/dbraw/zinc/72/62/67/368726267.db2.gz QQZSGUKVZAYRAR-NXEZZACHSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])nc1 ZINC000184637534 368707845 /nfs/dbraw/zinc/70/78/45/368707845.db2.gz UGKOSKLPAWLOOF-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F ZINC000348095070 368893791 /nfs/dbraw/zinc/89/37/91/368893791.db2.gz PJDRLNYVESUXJK-VIFPVBQESA-N -1 0 292.213 2.371 20 5 CEBDRM O=[N+]([O-])c1ccc(CN=c2[n-]c(C3CC3)no2)c(F)c1 ZINC000349159371 369255214 /nfs/dbraw/zinc/25/52/14/369255214.db2.gz LQLQXKOSTYQYTK-UHFFFAOYSA-N -1 0 278.243 2.028 20 5 CEBDRM CCOC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000191446040 369713492 /nfs/dbraw/zinc/71/34/92/369713492.db2.gz JDWMMTJDMOIPMP-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1ncsc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354107381 370219628 /nfs/dbraw/zinc/21/96/28/370219628.db2.gz QEFWDWCXAZRZAT-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234028969 370528030 /nfs/dbraw/zinc/52/80/30/370528030.db2.gz FPXUCCNROVRIFD-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM CC(C)(C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236611224 370595987 /nfs/dbraw/zinc/59/59/87/370595987.db2.gz GVPXBQDULXTWKF-UHFFFAOYSA-N -1 0 280.280 2.069 20 5 CEBDRM Cc1csc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000235951152 370581294 /nfs/dbraw/zinc/58/12/94/370581294.db2.gz QFAHLJFXKAJHRA-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cc(N[C@@H](C)CC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000336787060 213622361 /nfs/dbraw/zinc/62/23/61/213622361.db2.gz DFXCEDFCHDWOTJ-ZETCQYMHSA-N -1 0 256.233 2.317 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000263134877 297344341 /nfs/dbraw/zinc/34/43/41/297344341.db2.gz GFWORRWSMVXVSP-SFYZADRCSA-N -1 0 299.714 2.190 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC2(CC2)CC1 ZINC000366382614 373032395 /nfs/dbraw/zinc/03/23/95/373032395.db2.gz BAPIOZGYYZPUOC-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000380715152 321830821 /nfs/dbraw/zinc/83/08/21/321830821.db2.gz XXFVFRBQCCADES-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCC12CCC2 ZINC000373130550 374275311 /nfs/dbraw/zinc/27/53/11/374275311.db2.gz MSDMEPDSLWFBQW-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000376070353 374694647 /nfs/dbraw/zinc/69/46/47/374694647.db2.gz UDBGUPNVVHOQIV-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@@H]1CSCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000379462909 375152974 /nfs/dbraw/zinc/15/29/74/375152974.db2.gz DMOJCFFPZVFWJY-VIFPVBQESA-N -1 0 296.348 2.482 20 5 CEBDRM O=C(NCC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563186307 377118183 /nfs/dbraw/zinc/11/81/83/377118183.db2.gz YOOIFHDNFQAZLM-UHFFFAOYSA-N -1 0 270.672 2.094 20 5 CEBDRM CC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000563208639 377126133 /nfs/dbraw/zinc/12/61/33/377126133.db2.gz ZFWXNWVODLGQIO-CYBMUJFWSA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@@H]1CSCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330413014 377121272 /nfs/dbraw/zinc/12/12/72/377121272.db2.gz BMQIZPMUCGWWJQ-SECBINFHSA-N -1 0 268.338 2.238 20 5 CEBDRM CCCC[C@@H](Sc1ncc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000563433839 377225179 /nfs/dbraw/zinc/22/51/79/377225179.db2.gz XLCNMDSPDVHCOE-MRVPVSSYSA-N -1 0 271.298 2.120 20 5 CEBDRM Cc1cc(NC[C@@H](C)CCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000564212407 377360576 /nfs/dbraw/zinc/36/05/76/377360576.db2.gz APNPLUDHYXQWHC-QMMMGPOBSA-N -1 0 282.296 2.032 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427916213 377467226 /nfs/dbraw/zinc/46/72/26/377467226.db2.gz LXSDSXZSAWHRBY-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000565017947 377531641 /nfs/dbraw/zinc/53/16/41/377531641.db2.gz BQOGNDARAOAYKR-RKDXNWHRSA-N -1 0 282.271 2.311 20 5 CEBDRM CC[C@H](C)CO[N-]C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000293616993 377659727 /nfs/dbraw/zinc/65/97/27/377659727.db2.gz DLYUBMBCSUBYAL-JTQLQIEISA-N -1 0 281.312 2.101 20 5 CEBDRM C[C@H]1CC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000566975420 377788571 /nfs/dbraw/zinc/78/85/71/377788571.db2.gz CMPYMGREIRXMRD-WPRPVWTQSA-N -1 0 264.281 2.432 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000295471809 378173011 /nfs/dbraw/zinc/17/30/11/378173011.db2.gz HWRUGDNPAMTCRU-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000456112850 379311768 /nfs/dbraw/zinc/31/17/68/379311768.db2.gz DZTXRJFTAYMNKS-BDAKNGLRSA-N -1 0 264.281 2.076 20 5 CEBDRM CC(C)N(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000280967709 195051358 /nfs/dbraw/zinc/05/13/58/195051358.db2.gz NYVUZOOAJLFDHX-UHFFFAOYSA-N -1 0 264.281 2.313 20 5 CEBDRM O=C(COC(F)F)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000354547041 220799698 /nfs/dbraw/zinc/79/96/98/220799698.db2.gz UNIQKCLUJXQAHJ-UHFFFAOYSA-N -1 0 296.613 2.132 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157818057 296490958 /nfs/dbraw/zinc/49/09/58/296490958.db2.gz NFDZDHMEWATMST-LDYMZIIASA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225798935 394470513 /nfs/dbraw/zinc/47/05/13/394470513.db2.gz GWMOILDSEKDKSY-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cncc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356927125 394654564 /nfs/dbraw/zinc/65/45/64/394654564.db2.gz CVDNVTOLFLQWNU-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1(F)F ZINC000421792299 394596638 /nfs/dbraw/zinc/59/66/38/394596638.db2.gz NWFVGOYABHKZHH-SNVBAGLBSA-N -1 0 272.207 2.284 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331935272 394634001 /nfs/dbraw/zinc/63/40/01/394634001.db2.gz FNEXILFGLVYGFY-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436731729 395149233 /nfs/dbraw/zinc/14/92/33/395149233.db2.gz ALTUYMFPRVFRLW-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436723987 395149460 /nfs/dbraw/zinc/14/94/60/395149460.db2.gz WUBQGIKIGGSIBJ-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM Cc1[nH]nc(C(=O)Nc2ccc(Cl)cc2[O-])c1[N+](=O)[O-] ZINC000436734510 395150341 /nfs/dbraw/zinc/15/03/41/395150341.db2.gz AGSSFSYZNXARIM-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436775295 395153337 /nfs/dbraw/zinc/15/33/37/395153337.db2.gz POEVINVBSJNUNP-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436977203 395169840 /nfs/dbraw/zinc/16/98/40/395169840.db2.gz DWQSCKJMBONBAB-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCC1 ZINC000437003365 395172993 /nfs/dbraw/zinc/17/29/93/395172993.db2.gz VBAMLWLJEOBRGE-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000437007118 395173577 /nfs/dbraw/zinc/17/35/77/395173577.db2.gz ZFTNYVMIWROHIW-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM Cc1noc([C@@H](C)N(C)Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000565783052 395484166 /nfs/dbraw/zinc/48/41/66/395484166.db2.gz KVTSMBFRSGYSAK-MRVPVSSYSA-N -1 0 292.295 2.185 20 5 CEBDRM Cc1cc(N(C)C[C@@H]2CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568752572 395569932 /nfs/dbraw/zinc/56/99/32/395569932.db2.gz RGCOKDPIHWHERG-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM COc1cc(CNc2ccncc2F)cc([N+](=O)[O-])c1[O-] ZINC000192150746 153202583 /nfs/dbraw/zinc/20/25/83/153202583.db2.gz IWMVCJPAUBIMMP-UHFFFAOYSA-N -1 0 293.254 2.455 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCC(=O)[O-] ZINC000263011021 154005312 /nfs/dbraw/zinc/00/53/12/154005312.db2.gz HPAQGRMLTIEFCV-UHFFFAOYSA-N -1 0 295.295 2.150 20 5 CEBDRM CC(C)c1ccc(CN2CC(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263469314 154099875 /nfs/dbraw/zinc/09/98/75/154099875.db2.gz DFLQOSUCMSWLLL-UHFFFAOYSA-N -1 0 278.308 2.235 20 5 CEBDRM C[C@H](CN(C)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000263539362 154121765 /nfs/dbraw/zinc/12/17/65/154121765.db2.gz BOXAQVSVSTXGKV-SSDOTTSWSA-N -1 0 272.688 2.405 20 5 CEBDRM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000359424231 155011501 /nfs/dbraw/zinc/01/15/01/155011501.db2.gz IWRSCHHUBHDCIE-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM Cc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000547852954 298383310 /nfs/dbraw/zinc/38/33/10/298383310.db2.gz ZHKXLQJIVXJOHI-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1[N+](=O)[O-] ZINC000037329791 173130882 /nfs/dbraw/zinc/13/08/82/173130882.db2.gz SFWYAMAJOMJMML-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C([O-])C1CCC(Nc2ccncc2[N+](=O)[O-])CC1 ZINC000037561829 173272188 /nfs/dbraw/zinc/27/21/88/173272188.db2.gz JJZQYIBIYYHYPN-UHFFFAOYSA-N -1 0 265.269 2.045 20 5 CEBDRM CC(C)(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000449132366 260237873 /nfs/dbraw/zinc/23/78/73/260237873.db2.gz ACLYHKFAGLYQAN-QMMMGPOBSA-N -1 0 298.295 2.197 20 5 CEBDRM C[C@@H]1C[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000519160812 265347646 /nfs/dbraw/zinc/34/76/46/265347646.db2.gz UFOPTENOQXSHTF-MWLCHTKSSA-N -1 0 294.307 2.201 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1Cc2ccccc2C1 ZINC000185494146 270245802 /nfs/dbraw/zinc/24/58/02/270245802.db2.gz RNXIJEWWKRKUFJ-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM CO[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000230258594 270313905 /nfs/dbraw/zinc/31/39/05/270313905.db2.gz RBSHLTXZOHOBOD-ZANVPECISA-N -1 0 294.307 2.154 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425077473 271121823 /nfs/dbraw/zinc/12/18/23/271121823.db2.gz RUARERGOTIUEHN-UHFFFAOYSA-N -1 0 286.234 2.028 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130384402 279935345 /nfs/dbraw/zinc/93/53/45/279935345.db2.gz QUPBRLQYMYANTR-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CC1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000280858326 281804211 /nfs/dbraw/zinc/80/42/11/281804211.db2.gz XGIOVJLMJAJRPN-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1c[nH]c(C2CC2)n1 ZINC000489956469 290468921 /nfs/dbraw/zinc/46/89/21/290468921.db2.gz SOJABIUTTVJBAF-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000543499322 298311314 /nfs/dbraw/zinc/31/13/14/298311314.db2.gz QVVMVZDMULSINY-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM Cc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000543959435 298313983 /nfs/dbraw/zinc/31/39/83/298313983.db2.gz AZQAPGFZLIOCHJ-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C(=O)[O-] ZINC000263252496 301206413 /nfs/dbraw/zinc/20/64/13/301206413.db2.gz SXRXEWFJEPKUIL-UHFFFAOYSA-N -1 0 294.307 2.147 20 5 CEBDRM Cc1ccnc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000194740386 302278192 /nfs/dbraw/zinc/27/81/92/302278192.db2.gz GEUWCKXDHPFESC-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(N[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000160380782 303824580 /nfs/dbraw/zinc/82/45/80/303824580.db2.gz XSIBVNPXIKTRLD-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)[C@@H]2C)n1 ZINC000521629449 313131543 /nfs/dbraw/zinc/13/15/43/313131543.db2.gz NVZPMMMAFWBVTE-HGNGGELXSA-N -1 0 293.323 2.477 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)CC(=O)[O-] ZINC000563450932 313741241 /nfs/dbraw/zinc/74/12/41/313741241.db2.gz VHDFOVHRIRZJRG-JTQLQIEISA-N -1 0 294.307 2.147 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000570038318 314024820 /nfs/dbraw/zinc/02/48/20/314024820.db2.gz RRQLWFVIUBEWRE-XOULXFPDSA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCCC2CC2)n1 ZINC000571804763 314107561 /nfs/dbraw/zinc/10/75/61/314107561.db2.gz YPHXWJYGGACYPD-UHFFFAOYSA-N -1 0 279.296 2.020 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H]2C2CC2)n1 ZINC000575992258 314231099 /nfs/dbraw/zinc/23/10/99/314231099.db2.gz WPSQUBIVKWJRAS-IUCAKERBSA-N -1 0 277.280 2.146 20 5 CEBDRM Cc1cc(N[C@@H]2CO[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576878121 314318891 /nfs/dbraw/zinc/31/88/91/314318891.db2.gz YYTMEXMAMSNLDI-WPRPVWTQSA-N -1 0 280.280 2.191 20 5 CEBDRM CCOCCN(CC)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577517821 314386707 /nfs/dbraw/zinc/38/67/07/314386707.db2.gz MARYNHVGVOWLAW-UHFFFAOYSA-N -1 0 296.323 2.464 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)[C@@H](C)C(C)C)n1 ZINC000577853868 314420366 /nfs/dbraw/zinc/42/03/66/314420366.db2.gz XQKBXOSWRVZQQF-VIFPVBQESA-N -1 0 281.312 2.477 20 5 CEBDRM CC[C@](C)(CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC ZINC000578631299 314500059 /nfs/dbraw/zinc/50/00/59/314500059.db2.gz ZPWUIWOPHSWRNB-CQSZACIVSA-N -1 0 296.323 2.449 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CCCC2)n1 ZINC000579963845 321905223 /nfs/dbraw/zinc/90/52/23/321905223.db2.gz FNSUQUWGAFUXEE-UHFFFAOYSA-N -1 0 265.269 2.351 20 5 CEBDRM CC(=O)c1ccc(NC[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000580080881 321913872 /nfs/dbraw/zinc/91/38/72/321913872.db2.gz VIYSBJSKWUNTBX-MRVPVSSYSA-N -1 0 280.280 2.320 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC000583638165 322558829 /nfs/dbraw/zinc/55/88/29/322558829.db2.gz RSZQGCGJNGACDV-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000584243309 327126416 /nfs/dbraw/zinc/12/64/16/327126416.db2.gz WVCMWGRVSHRNPY-DTORHVGOSA-N -1 0 292.291 2.021 20 5 CEBDRM C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCOC1 ZINC000397243499 329345789 /nfs/dbraw/zinc/34/57/89/329345789.db2.gz ZDNJYILJEJFVGG-ZDUSSCGKSA-N -1 0 280.280 2.132 20 5 CEBDRM C[C@@H](O)C[C@H](C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397811967 329397459 /nfs/dbraw/zinc/39/74/59/329397459.db2.gz JLCNZZGNTOPEPM-DTWKUNHWSA-N -1 0 282.296 2.112 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417719302 534339248 /nfs/dbraw/zinc/33/92/48/534339248.db2.gz CQYWIYHKUFVNOE-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179490888 529313385 /nfs/dbraw/zinc/31/33/85/529313385.db2.gz HZUCEYSIIOWQQM-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM O=Cc1ccc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)cc1F ZINC000874973816 649878001 /nfs/dbraw/zinc/87/80/01/649878001.db2.gz ZMHGKORHDBNDTE-UHFFFAOYSA-N -1 0 290.206 2.307 20 5 CEBDRM O=C(OC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000727634936 574453861 /nfs/dbraw/zinc/45/38/61/574453861.db2.gz RQKDTWZZEIYNNR-VIFPVBQESA-N -1 0 250.254 2.436 20 5 CEBDRM CC(C)C[C@@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])cn1 ZINC000738806188 574762820 /nfs/dbraw/zinc/76/28/20/574762820.db2.gz DDKKTPZQJURWPP-VIFPVBQESA-N -1 0 282.300 2.084 20 5 CEBDRM C[C@H](C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583153 574792865 /nfs/dbraw/zinc/79/28/65/574792865.db2.gz KZLHCZFSUXJTHA-SECBINFHSA-N -1 0 296.298 2.419 20 5 CEBDRM C[C@H](CSc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000736616926 574793168 /nfs/dbraw/zinc/79/31/68/574793168.db2.gz DIMGTTCRRXRGEU-SSDOTTSWSA-N -1 0 281.293 2.055 20 5 CEBDRM CC(C)N(CCCNc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC000738848230 574881841 /nfs/dbraw/zinc/88/18/41/574881841.db2.gz MNBXPPQYUUMAHP-UHFFFAOYSA-N -1 0 282.300 2.180 20 5 CEBDRM C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739187376 574898405 /nfs/dbraw/zinc/89/84/05/574898405.db2.gz AFJTWPPSHYWPSD-IUCAKERBSA-N -1 0 297.286 2.311 20 5 CEBDRM CN(C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665703 574930104 /nfs/dbraw/zinc/93/01/04/574930104.db2.gz ZYHLHPSLDJGDJJ-QMMMGPOBSA-N -1 0 285.325 2.092 20 5 CEBDRM O=C([O-])c1ccc(OCC(=O)C2CCCC2)c([N+](=O)[O-])c1 ZINC000740162246 574945802 /nfs/dbraw/zinc/94/58/02/574945802.db2.gz XLMFZVMITDXEOH-UHFFFAOYSA-N -1 0 293.275 2.431 20 5 CEBDRM Cc1ccnc(NC[C@@H](NC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000740195055 574947602 /nfs/dbraw/zinc/94/76/02/574947602.db2.gz JERLCFKHSSWWMR-SECBINFHSA-N -1 0 282.300 2.002 20 5 CEBDRM O=C([O-])NCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000740651671 574963094 /nfs/dbraw/zinc/96/30/94/574963094.db2.gz KALVXCYXHSMPTQ-UHFFFAOYSA-N -1 0 273.676 2.318 20 5 CEBDRM O=C([O-])c1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000819683862 597140689 /nfs/dbraw/zinc/14/06/89/597140689.db2.gz XTHMTKULSMIILZ-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM Cc1cc(F)cc(C(=O)OCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000820980296 597847918 /nfs/dbraw/zinc/84/79/18/597847918.db2.gz MXRQILFABOKYLN-UHFFFAOYSA-N -1 0 299.254 2.454 20 5 CEBDRM Cc1cc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)on1 ZINC000235837122 600441042 /nfs/dbraw/zinc/44/10/42/600441042.db2.gz NAOOAPZMLLURFA-UHFFFAOYSA-N -1 0 278.220 2.168 20 5 CEBDRM C[C@H](CO)Sc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827518122 600828025 /nfs/dbraw/zinc/82/80/25/600828025.db2.gz YPHLANWARGCYTK-QIUOEGRZSA-N -1 0 283.305 2.166 20 5 CEBDRM Cc1[nH]ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832847246 601406814 /nfs/dbraw/zinc/40/68/14/601406814.db2.gz GCQSVVVVONFQPH-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000739318822 602329126 /nfs/dbraw/zinc/32/91/26/602329126.db2.gz FSZOBIJSWHLGFH-SNVBAGLBSA-N -1 0 295.295 2.278 20 5 CEBDRM CCC[C@H](NC(=O)[O-])C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000739329453 602671464 /nfs/dbraw/zinc/67/14/64/602671464.db2.gz NLCKOSWNJBXRPR-NSHDSACASA-N -1 0 296.279 2.074 20 5 CEBDRM CCC[C@@H](NC(=O)[O-])C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000739329448 602671471 /nfs/dbraw/zinc/67/14/71/602671471.db2.gz NLCKOSWNJBXRPR-LLVKDONJSA-N -1 0 296.279 2.074 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NCC[C@H](C)NC(=O)[O-])c1 ZINC000829510600 603182679 /nfs/dbraw/zinc/18/26/79/603182679.db2.gz LIPMUYYRWGKTKF-QMMMGPOBSA-N -1 0 283.284 2.062 20 5 CEBDRM Cc1ccc(N2CC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830340143 603443290 /nfs/dbraw/zinc/44/32/90/603443290.db2.gz KBUXFCNCWSQUIF-LLVKDONJSA-N -1 0 293.323 2.339 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCCN(C(=O)[O-])CC1 ZINC000830137698 603443350 /nfs/dbraw/zinc/44/33/50/603443350.db2.gz FNSVYQVJEBBHIU-UHFFFAOYSA-N -1 0 279.296 2.093 20 5 CEBDRM Cc1ccc([C@@H](C)OC(=O)CCNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830257456 603928719 /nfs/dbraw/zinc/92/87/19/603928719.db2.gz UQAKWUSIVMSTON-SECBINFHSA-N -1 0 296.279 2.165 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])nc1)C1CCC(NC(=O)[O-])CC1 ZINC000828435055 604220685 /nfs/dbraw/zinc/22/06/85/604220685.db2.gz WAAMOLOHZJWDIQ-UHFFFAOYSA-N -1 0 294.311 2.005 20 5 CEBDRM CC(C)[C@H](CCN(C)c1ccncc1[N+](=O)[O-])NC(=O)[O-] ZINC000824105257 604226659 /nfs/dbraw/zinc/22/66/59/604226659.db2.gz QUMIBKIFENDONM-JTQLQIEISA-N -1 0 296.327 2.108 20 5 CEBDRM Cc1cc(N2CC[C@@H](NC(=O)[O-])C2)c(Cl)cc1[N+](=O)[O-] ZINC000830077765 604349299 /nfs/dbraw/zinc/34/92/99/604349299.db2.gz GKWLZLYBLJQWCX-MRVPVSSYSA-N -1 0 299.714 2.403 20 5 CEBDRM Cc1nc(NCC[C@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830775419 604442707 /nfs/dbraw/zinc/44/27/07/604442707.db2.gz OJYWLZDYJHCRQL-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(S[C@@H](C)C(=O)[O-])c1 ZINC000833728664 604824362 /nfs/dbraw/zinc/82/43/62/604824362.db2.gz IHYGADWJWIEBRH-YFKPBYRVSA-N -1 0 275.257 2.308 20 5 CEBDRM CCOc1cc(N[C@H](C)CCNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861352 605400603 /nfs/dbraw/zinc/40/06/03/605400603.db2.gz JSYPPDWOXQZAFA-SECBINFHSA-N -1 0 297.311 2.452 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])s1 ZINC000825846009 605482317 /nfs/dbraw/zinc/48/23/17/605482317.db2.gz RUCZZICYCNMASH-YUMQZZPRSA-N -1 0 285.325 2.281 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000833820669 605499800 /nfs/dbraw/zinc/49/98/00/605499800.db2.gz ZJOLGLJWVYNUDM-BDAKNGLRSA-N -1 0 297.286 2.216 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000833820333 605501386 /nfs/dbraw/zinc/50/13/86/605501386.db2.gz XLUKJURIHGSVBT-RKDXNWHRSA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000833907922 605541470 /nfs/dbraw/zinc/54/14/70/605541470.db2.gz XCHFSJFHPWNAIN-IUCAKERBSA-N -1 0 296.279 2.164 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000834222478 605646149 /nfs/dbraw/zinc/64/61/49/605646149.db2.gz YFNMXHINRKRHIP-JTQLQIEISA-N -1 0 297.286 2.360 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000834214979 605950456 /nfs/dbraw/zinc/95/04/56/605950456.db2.gz KAQCQVNFDFVUDG-VIFPVBQESA-N -1 0 297.286 2.218 20 5 CEBDRM CC(C)[C@H](CNc1sccc1[N+](=O)[O-])NC(=O)[O-] ZINC000833792559 605991369 /nfs/dbraw/zinc/99/13/69/605991369.db2.gz JQBHUOYLSJMENG-ZETCQYMHSA-N -1 0 273.314 2.360 20 5 CEBDRM CS[C@@H]1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000235179924 625007287 /nfs/dbraw/zinc/00/72/87/625007287.db2.gz NCTDZSOJXBKXBM-DTWKUNHWSA-N -1 0 297.336 2.384 20 5 CEBDRM O=C(CCCF)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000850194900 625746352 /nfs/dbraw/zinc/74/63/52/625746352.db2.gz UXMXUAIYDXQHPY-UHFFFAOYSA-N -1 0 257.217 2.093 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000162696960 628482795 /nfs/dbraw/zinc/48/27/95/628482795.db2.gz ZPAOHPYGLIPLND-NSHDSACASA-N -1 0 293.323 2.379 20 5 CEBDRM C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@H]1CCCCO1 ZINC000893505629 628660036 /nfs/dbraw/zinc/66/00/36/628660036.db2.gz ORVZLBVIEOCCGN-GXSJLCMTSA-N -1 0 282.296 2.285 20 5 CEBDRM CCc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000236964921 629133727 /nfs/dbraw/zinc/13/37/27/629133727.db2.gz FNOQJSYKPLYLAA-SECBINFHSA-N -1 0 294.307 2.140 20 5 CEBDRM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000928045579 629294150 /nfs/dbraw/zinc/29/41/50/629294150.db2.gz QRIFVCVHHRGNMR-CZULRBLNSA-N -1 0 276.292 2.075 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000804584575 631708941 /nfs/dbraw/zinc/70/89/41/631708941.db2.gz VQSBPVAHZSASBZ-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM CO[C@H](C)c1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000899350133 632799195 /nfs/dbraw/zinc/79/91/95/632799195.db2.gz VEDNIEKZFFJLGL-SECBINFHSA-N -1 0 277.280 2.031 20 5 CEBDRM O=C(NC1(C2CC2)CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899824176 633026061 /nfs/dbraw/zinc/02/60/61/633026061.db2.gz RXFHCHBXKJMUOU-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(F)CC2)c1 ZINC000903607564 635174385 /nfs/dbraw/zinc/17/43/85/635174385.db2.gz KALUDPLVJQAXIX-UHFFFAOYSA-N -1 0 282.271 2.227 20 5 CEBDRM O=C([O-])c1cc(N2CCCCCO2)ccc1[N+](=O)[O-] ZINC000910385493 638032202 /nfs/dbraw/zinc/03/22/02/638032202.db2.gz DWELSSWGAOJPOK-UHFFFAOYSA-N -1 0 266.253 2.215 20 5 CEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])s1 ZINC000910454247 638058331 /nfs/dbraw/zinc/05/83/31/638058331.db2.gz MWZQVVXEBZKTFR-RNSXUZJQSA-N -1 0 282.321 2.346 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(O)CCCCC1 ZINC000837405514 639217533 /nfs/dbraw/zinc/21/75/33/639217533.db2.gz OMHHVYKUYZXCBC-UHFFFAOYSA-N -1 0 295.291 2.039 20 5 CEBDRM CC(=O)CCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837646041 639324095 /nfs/dbraw/zinc/32/40/95/639324095.db2.gz LJLBMIAICWPLGI-UHFFFAOYSA-N -1 0 281.264 2.103 20 5 CEBDRM CO[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000837645978 639324814 /nfs/dbraw/zinc/32/48/14/639324814.db2.gz KEUVQYSRXIXDDG-GFCCVEGCSA-N -1 0 283.280 2.015 20 5 CEBDRM CCC(=O)c1ccc(N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000841504052 639778051 /nfs/dbraw/zinc/77/80/51/639778051.db2.gz SAICIZKTCUZHOY-UHFFFAOYSA-N -1 0 294.307 2.489 20 5 CEBDRM CO[C@@H](CC(C)C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000842113983 639959800 /nfs/dbraw/zinc/95/98/00/639959800.db2.gz KJZFHASDWDKVKF-ZDUSSCGKSA-N -1 0 297.307 2.405 20 5 CEBDRM CCON(C(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000844073339 640592020 /nfs/dbraw/zinc/59/20/20/640592020.db2.gz DNLILGIYPVRJFM-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM O=C([O-])CC1(Nc2nc3ccccn3c2[N+](=O)[O-])CCC1 ZINC000844931122 640868916 /nfs/dbraw/zinc/86/89/16/640868916.db2.gz MUJIEUVEHXJSRX-UHFFFAOYSA-N -1 0 290.279 2.052 20 5 CEBDRM Cc1ccc(N2CC[C@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC000227574809 643360421 /nfs/dbraw/zinc/36/04/21/643360421.db2.gz JEACFPFHGCZVOP-ZJUUUORDSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NCCOCCF)c([N+](=O)[O-])c1 ZINC000853030467 643627317 /nfs/dbraw/zinc/62/73/17/643627317.db2.gz XEDARJRRCJYETP-RQOWECAXSA-N -1 0 298.270 2.091 20 5 CEBDRM Cc1ccc2c(c1)C(=O)N[C@@H](c1ccc([O-])c([N+](=O)[O-])c1)N2 ZINC000877865016 650932292 /nfs/dbraw/zinc/93/22/92/650932292.db2.gz VXWXPNFDLAPLQV-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(OCCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000768827366 646170821 /nfs/dbraw/zinc/17/08/21/646170821.db2.gz SSLYCMQVONFZSS-UHFFFAOYSA-N -1 0 252.148 2.032 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000863479892 646738829 /nfs/dbraw/zinc/73/88/29/646738829.db2.gz CKNCDTJSVAMHRX-SNVBAGLBSA-N -1 0 290.275 2.383 20 5 CEBDRM O=C(NOC1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000779321323 647311369 /nfs/dbraw/zinc/31/13/69/647311369.db2.gz ISKJSKIQYRUURN-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000869652635 648551316 /nfs/dbraw/zinc/55/13/16/648551316.db2.gz WAFIHXWNSYTXNK-LNLATYFQSA-N -1 0 295.291 2.157 20 5 CEBDRM O=C([O-])CSc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000794409130 648863936 /nfs/dbraw/zinc/86/39/36/648863936.db2.gz ULPHHTNVOBHSPS-UHFFFAOYSA-N -1 0 279.220 2.373 20 5 CEBDRM CSc1nc(O[C@@H](C)C2CCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624942 805960405 /nfs/dbraw/zinc/96/04/05/805960405.db2.gz KJYZTCTYNWEDQH-LURJTMIESA-N -1 0 285.325 2.380 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1[O-] ZINC000715972170 815002117 /nfs/dbraw/zinc/00/21/17/815002117.db2.gz HWKVBLPWDUCHKG-VIFPVBQESA-N -1 0 296.348 2.316 20 5 CEBDRM O=C([O-])CO[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001225023909 807116245 /nfs/dbraw/zinc/11/62/45/807116245.db2.gz QZRUJGMDCDLJDX-VIFPVBQESA-N -1 0 279.170 2.299 20 5 CEBDRM Cc1cccc2c1C(=O)N[C@H](c1ccc([O-])c([N+](=O)[O-])c1)N2 ZINC000917417479 807943404 /nfs/dbraw/zinc/94/34/04/807943404.db2.gz ZQJRKXKQHGXNAO-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739185569 810159258 /nfs/dbraw/zinc/15/92/58/810159258.db2.gz AKNYSGBDBSPGOM-WPRPVWTQSA-N -1 0 299.352 2.134 20 5 CEBDRM CCCOC[C@@H](C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231258810 810610831 /nfs/dbraw/zinc/61/08/31/810610831.db2.gz CSZFYFFWCAKVHU-SECBINFHSA-N -1 0 270.285 2.198 20 5 CEBDRM Cc1cncc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120032735 810796853 /nfs/dbraw/zinc/79/68/53/810796853.db2.gz LDKQGNUJJQTWJY-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1ncccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120027928 810796969 /nfs/dbraw/zinc/79/69/69/810796969.db2.gz UKCQLWZKQASZQO-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1ccc(O)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174502813 816028991 /nfs/dbraw/zinc/02/89/91/816028991.db2.gz IQFHMSAXAKTBRX-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM Cc1nccnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502449 816029503 /nfs/dbraw/zinc/02/95/03/816029503.db2.gz OXJPYOIVKVDLLJ-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM O=C([O-])c1ccc(Nc2cncc(Cl)n2)cc1[N+](=O)[O-] ZINC001174502195 816029730 /nfs/dbraw/zinc/02/97/30/816029730.db2.gz IFCZNKRKPGDTIE-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM C[C@@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000601930623 346928745 /nfs/dbraw/zinc/92/87/45/346928745.db2.gz BDSJWQOMTBYMLP-KCJUWKMLSA-N -1 0 259.265 2.344 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C2CC2)cc1=O ZINC000601935091 346931415 /nfs/dbraw/zinc/93/14/15/346931415.db2.gz HBHYABQLKKUZDH-UHFFFAOYSA-N -1 0 275.264 2.106 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CC[C@H]2C ZINC000601936877 346933202 /nfs/dbraw/zinc/93/32/02/346933202.db2.gz WUNKBZPHVYOIQY-SCZZXKLOSA-N -1 0 289.291 2.352 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1[C@H]1CCSC1 ZINC000601944795 346937643 /nfs/dbraw/zinc/93/76/43/346937643.db2.gz HXFDHQMEVKHVEM-NSHDSACASA-N -1 0 291.332 2.037 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000567948362 299100653 /nfs/dbraw/zinc/10/06/53/299100653.db2.gz BWORYLNISFLYBM-BDAKNGLRSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(C)(C)C2)n1 ZINC000567978359 299103382 /nfs/dbraw/zinc/10/33/82/299103382.db2.gz BYMVEKCFOWPSLI-UHFFFAOYSA-N -1 0 279.296 2.233 20 5 CEBDRM CCC(O)(CC)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567979208 299104196 /nfs/dbraw/zinc/10/41/96/299104196.db2.gz CMDDEMDOLFYXFF-UHFFFAOYSA-N -1 0 297.311 2.041 20 5 CEBDRM Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000092546624 344194746 /nfs/dbraw/zinc/19/47/46/344194746.db2.gz BBKCTMZAAPNAQA-UHFFFAOYSA-N -1 0 276.248 2.383 20 5 CEBDRM CC(C)(C)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162371306 344467436 /nfs/dbraw/zinc/46/74/36/344467436.db2.gz LDOKOFGMUCWMOB-UHFFFAOYSA-N -1 0 253.258 2.146 20 5 CEBDRM O=C([O-])C1(CNc2ccncc2[N+](=O)[O-])CCCCC1 ZINC000165679393 344474989 /nfs/dbraw/zinc/47/49/89/344474989.db2.gz HWSYPNXUOZIIGV-UHFFFAOYSA-N -1 0 279.296 2.437 20 5 CEBDRM O=C([O-])c1cc(NC[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000228578849 344561614 /nfs/dbraw/zinc/56/16/14/344561614.db2.gz OYEATJMTHNNSLP-QMMMGPOBSA-N -1 0 282.321 2.458 20 5 CEBDRM O=C([O-])CC1(Nc2ncc([N+](=O)[O-])cc2Cl)CCC1 ZINC000236418586 344595528 /nfs/dbraw/zinc/59/55/28/344595528.db2.gz QQTXTBGMOPROIH-UHFFFAOYSA-N -1 0 285.687 2.453 20 5 CEBDRM CC1(C)C[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000232938623 344580488 /nfs/dbraw/zinc/58/04/88/344580488.db2.gz OMJQMKGQBXMRGT-ZETCQYMHSA-N -1 0 265.269 2.146 20 5 CEBDRM C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000311411059 344734216 /nfs/dbraw/zinc/73/42/16/344734216.db2.gz YWVVDPQLWBTQKR-UWVGGRQHSA-N -1 0 264.281 2.142 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586083448 345016662 /nfs/dbraw/zinc/01/66/62/345016662.db2.gz DOZLTWGEQXELLR-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM O=C([O-])CCCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000591326841 345241223 /nfs/dbraw/zinc/24/12/23/345241223.db2.gz YHJVTSXWJFZIRS-UHFFFAOYSA-N -1 0 289.291 2.232 20 5 CEBDRM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000592420596 345351139 /nfs/dbraw/zinc/35/11/39/345351139.db2.gz FJNYPIUFARRTRF-IONNQARKSA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1cc(N2C[C@@H](C)O[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592963927 345416489 /nfs/dbraw/zinc/41/64/89/345416489.db2.gz BGPHIOWGDUNCAB-NXEZZACHSA-N -1 0 294.307 2.215 20 5 CEBDRM Cc1cc(NCC(C)(C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592968597 345417062 /nfs/dbraw/zinc/41/70/62/345417062.db2.gz SCPDPTLUVNJOPJ-UHFFFAOYSA-N -1 0 282.296 2.032 20 5 CEBDRM Cc1cc(NCC[C@H](O)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592973867 345417117 /nfs/dbraw/zinc/41/71/17/345417117.db2.gz BERZNHPDJCSJEF-ZDUSSCGKSA-N -1 0 296.323 2.420 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592970181 345417121 /nfs/dbraw/zinc/41/71/21/345417121.db2.gz RRMSGMLVXUWYQZ-LHLIQPBNSA-N -1 0 250.254 2.422 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000592981075 345418581 /nfs/dbraw/zinc/41/85/81/345418581.db2.gz LFNZMUDXNMRXOP-YMTOWFKASA-N -1 0 293.323 2.154 20 5 CEBDRM CCc1ccc(C(=O)N(CC)[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595282938 345753923 /nfs/dbraw/zinc/75/39/23/345753923.db2.gz SYXSOEMUPUVSAQ-VIFPVBQESA-N -1 0 294.307 2.092 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000598382203 346342876 /nfs/dbraw/zinc/34/28/76/346342876.db2.gz VBOHFBCGQXISTD-CYBMUJFWSA-N -1 0 278.308 2.465 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598550470 346373593 /nfs/dbraw/zinc/37/35/93/346373593.db2.gz KUZQCDLXVMVAGL-VIFPVBQESA-N -1 0 278.308 2.419 20 5 CEBDRM CN(CC1=CCSC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598515219 346369225 /nfs/dbraw/zinc/36/92/25/346369225.db2.gz URIYSQBGBGVJSP-UHFFFAOYSA-N -1 0 294.332 2.046 20 5 CEBDRM CC1CC(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000598905268 346432821 /nfs/dbraw/zinc/43/28/21/346432821.db2.gz HNLUBTBDGHVQLK-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000600162294 346610435 /nfs/dbraw/zinc/61/04/35/346610435.db2.gz QIHLSIAGYCPSTG-MXWKQRLJSA-N -1 0 290.319 2.466 20 5 CEBDRM CCC[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCC ZINC000600176377 346616048 /nfs/dbraw/zinc/61/60/48/346616048.db2.gz WDZRUEZAKNFJMO-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000612600017 347905996 /nfs/dbraw/zinc/90/59/96/347905996.db2.gz OTPKVCKKVLUBBN-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000619421715 349176352 /nfs/dbraw/zinc/17/63/52/349176352.db2.gz BGPFURAFXNPLDA-UHFFFAOYSA-N -1 0 274.223 2.074 20 5 CEBDRM O=C([O-])c1cnc(C=Cc2csc([N+](=O)[O-])c2)[nH]c1=O ZINC000619864516 349240192 /nfs/dbraw/zinc/24/01/92/349240192.db2.gz BMFQACKDFKAGNS-UPHRSURJSA-N -1 0 293.260 2.021 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NCCC[C@@H]2CCCC[C@@H]2O)s1 ZINC000337009791 365982812 /nfs/dbraw/zinc/98/28/12/365982812.db2.gz FFSQJFOFXOLKEW-UWVGGRQHSA-N -1 0 285.369 2.216 20 5 CEBDRM CC[C@@H](C)CON=c1[n-]cc(C(=O)OC)cc1[N+](=O)[O-] ZINC000292009129 198133408 /nfs/dbraw/zinc/13/34/08/198133408.db2.gz ZFGCRSJHTLTRMC-MRVPVSSYSA-N -1 0 283.284 2.166 20 5 CEBDRM CN(CCC1CC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000153998391 188115788 /nfs/dbraw/zinc/11/57/88/188115788.db2.gz BEHHWICDQZFQSA-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073572910 363230133 /nfs/dbraw/zinc/23/01/33/363230133.db2.gz DQMQJOSYHDDVCD-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])OC ZINC000452819311 283392619 /nfs/dbraw/zinc/39/26/19/283392619.db2.gz TZRSDCCNKOYDHB-TVQRCGJNSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000080987965 363693248 /nfs/dbraw/zinc/69/32/48/363693248.db2.gz CNGMBSQJVFBLGQ-QMMMGPOBSA-N -1 0 298.320 2.126 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)CC(=O)[O-] ZINC000579843435 366713197 /nfs/dbraw/zinc/71/31/97/366713197.db2.gz HFQSXHPKPQTDMM-SECBINFHSA-N -1 0 282.296 2.264 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000152463930 366698203 /nfs/dbraw/zinc/69/82/03/366698203.db2.gz DLHCVNCVETZNOU-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000339967763 366732763 /nfs/dbraw/zinc/73/27/63/366732763.db2.gz VYUAIYKNHRJENW-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM Cc1cccc(C(=O)NCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000019271092 361524184 /nfs/dbraw/zinc/52/41/84/361524184.db2.gz JBBNMLMKUDQBNT-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119171444 365229135 /nfs/dbraw/zinc/22/91/35/365229135.db2.gz MSPNKXVDKWBDKU-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM CC1(C)CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166755768 367328395 /nfs/dbraw/zinc/32/83/95/367328395.db2.gz IZBWMQOVTLPHIN-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC000164620270 367290764 /nfs/dbraw/zinc/29/07/64/367290764.db2.gz HGENBEMUVJLPSJ-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM COCCC[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166181494 367319642 /nfs/dbraw/zinc/31/96/42/367319642.db2.gz OZMYMANYBCJIBZ-SECBINFHSA-N -1 0 282.296 2.302 20 5 CEBDRM CC(C)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166643613 367325896 /nfs/dbraw/zinc/32/58/96/367325896.db2.gz YMKSVSCODHFNMI-UHFFFAOYSA-N -1 0 253.258 2.146 20 5 CEBDRM Cc1ccncc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343269339 367735115 /nfs/dbraw/zinc/73/51/15/367735115.db2.gz CECZGIGDLNMCFW-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(C(F)F)o2)c(F)c1 ZINC000346064281 368534010 /nfs/dbraw/zinc/53/40/10/368534010.db2.gz KVQKNIAZHLOIJA-UHFFFAOYSA-N -1 0 288.185 2.089 20 5 CEBDRM Cc1ncccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000182954641 368600798 /nfs/dbraw/zinc/60/07/98/368600798.db2.gz BZYAMOMGXZXAAG-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1csc(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000186269510 368947585 /nfs/dbraw/zinc/94/75/85/368947585.db2.gz NZZKRMYEFMIWDB-UHFFFAOYSA-N -1 0 293.304 2.342 20 5 CEBDRM Cc1ncccc1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000354612823 370434325 /nfs/dbraw/zinc/43/43/25/370434325.db2.gz LZMHQKXUATXGRJ-UHFFFAOYSA-N -1 0 287.275 2.185 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000269128897 296183703 /nfs/dbraw/zinc/18/37/03/296183703.db2.gz KNAVWLDUBIWFDY-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2CCC1CC2 ZINC000368315960 373232615 /nfs/dbraw/zinc/23/26/15/373232615.db2.gz NIRVVJQAVWXUIT-UHFFFAOYSA-N -1 0 276.292 2.315 20 5 CEBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000272554860 373548126 /nfs/dbraw/zinc/54/81/26/373548126.db2.gz LBBWBUASDMMFFM-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272701152 373620995 /nfs/dbraw/zinc/62/09/95/373620995.db2.gz UKCVEBTYLZOAOU-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM CC(C)=CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000276674598 374261551 /nfs/dbraw/zinc/26/15/51/374261551.db2.gz ZHQGQWYPZDGYRH-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000062133041 304192377 /nfs/dbraw/zinc/19/23/77/304192377.db2.gz QEAPDGLIOFZTQZ-VIFPVBQESA-N -1 0 287.275 2.054 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000286482990 375968894 /nfs/dbraw/zinc/96/88/94/375968894.db2.gz LSTIDTAYSATJBG-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NC[C@@H]3CC34CC4)[n-]2)cc1 ZINC000418999684 376376135 /nfs/dbraw/zinc/37/61/35/376376135.db2.gz XDPPLGQSOSYCJP-JTQLQIEISA-N -1 0 286.291 2.279 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn2ccccc12 ZINC000318079368 376811114 /nfs/dbraw/zinc/81/11/14/376811114.db2.gz JBHFYXYTNUWXAH-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C(NC1Cc2ccccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000319008542 376815943 /nfs/dbraw/zinc/81/59/43/376815943.db2.gz YVGZAFMTBLNIQC-UHFFFAOYSA-N -1 0 298.298 2.198 20 5 CEBDRM CC(C)(CCc1nc(=O)c2sccc2[n-]1)[N+](=O)[O-] ZINC000290863460 376957745 /nfs/dbraw/zinc/95/77/45/376957745.db2.gz AGBNKMQINQXKQM-UHFFFAOYSA-N -1 0 267.310 2.385 20 5 CEBDRM COC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000563206662 377126608 /nfs/dbraw/zinc/12/66/08/377126608.db2.gz LRINESDFYILBPW-UHFFFAOYSA-N -1 0 294.307 2.217 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC=C(F)C1 ZINC000330451229 377139139 /nfs/dbraw/zinc/13/91/39/377139139.db2.gz KACZSKHNMPQXIR-UHFFFAOYSA-N -1 0 252.245 2.360 20 5 CEBDRM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000293455991 377573665 /nfs/dbraw/zinc/57/36/65/377573665.db2.gz KWURMCZCVUUZQY-GXFFZTMASA-N -1 0 294.307 2.444 20 5 CEBDRM CC(C)(C(=O)[N-]OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000293902078 377816409 /nfs/dbraw/zinc/81/64/09/377816409.db2.gz ZVDNAXRDCQDNFG-UHFFFAOYSA-N -1 0 278.308 2.330 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000443391891 378050409 /nfs/dbraw/zinc/05/04/09/378050409.db2.gz VUDLREFAVXVRGQ-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)c1n[n-]c(=NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000450270902 378336195 /nfs/dbraw/zinc/33/61/95/378336195.db2.gz UXTRDNWUXVSPAE-UHFFFAOYSA-N -1 0 276.296 2.178 20 5 CEBDRM Cc1nc([N-]c2cn(C)nc2C(C)C)ncc1[N+](=O)[O-] ZINC000296736573 378633052 /nfs/dbraw/zinc/63/30/52/378633052.db2.gz JFIDZIWTHGSHHO-UHFFFAOYSA-N -1 0 276.300 2.294 20 5 CEBDRM CCC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574574580 299507824 /nfs/dbraw/zinc/50/78/24/299507824.db2.gz RRHHSBUKWZXCSG-SNVBAGLBSA-N -1 0 282.296 2.174 20 5 CEBDRM Cn1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC000347565619 218275648 /nfs/dbraw/zinc/27/56/48/218275648.db2.gz IORSTWWDFMJZLL-UHFFFAOYSA-N -1 0 286.247 2.356 20 5 CEBDRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458112651 380012588 /nfs/dbraw/zinc/01/25/88/380012588.db2.gz HCKSYYLQJPRHHA-OCCSQVGLSA-N -1 0 278.308 2.465 20 5 CEBDRM Cc1cc(N[C@@H]2CCCC[C@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574759950 299523515 /nfs/dbraw/zinc/52/35/15/299523515.db2.gz SQSMOAVVFMDDEX-VXGBXAGGSA-N -1 0 294.307 2.317 20 5 CEBDRM Cc1cc(NCC2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580956760 322357757 /nfs/dbraw/zinc/35/77/57/322357757.db2.gz FFJIIUBKWUPFKU-UHFFFAOYSA-N -1 0 250.254 2.423 20 5 CEBDRM CC(C)c1noc(OCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000412998567 394456048 /nfs/dbraw/zinc/45/60/48/394456048.db2.gz YFNNIUCXPZREFH-UHFFFAOYSA-N -1 0 279.252 2.386 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237597205 394493078 /nfs/dbraw/zinc/49/30/78/394493078.db2.gz YZOVOXALBJZWPN-QPUJVOFHSA-N -1 0 292.291 2.211 20 5 CEBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262971670 394626829 /nfs/dbraw/zinc/62/68/29/394626829.db2.gz MSDXKIVZVFFWJV-AWEZNQCLSA-N -1 0 294.307 2.214 20 5 CEBDRM O=C(NCc1ccccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000130321990 394885562 /nfs/dbraw/zinc/88/55/62/394885562.db2.gz PZGFRKDBRUXGCF-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CO[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])CC(C)C ZINC000416259101 395040310 /nfs/dbraw/zinc/04/03/10/395040310.db2.gz GWQGPZNGORLPBU-JTQLQIEISA-N -1 0 296.323 2.091 20 5 CEBDRM COC(=O)[C@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436473604 395119986 /nfs/dbraw/zinc/11/99/86/395119986.db2.gz HWMMFNFPASMGER-ZETCQYMHSA-N -1 0 271.294 2.095 20 5 CEBDRM O=C(Nc1ccc(F)cc1O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436792390 395152826 /nfs/dbraw/zinc/15/28/26/395152826.db2.gz NQWVNHDPKQUHOE-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC(C)CSCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436956744 395166825 /nfs/dbraw/zinc/16/68/25/395166825.db2.gz OWICZWSNGFBGIE-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM O=[N+]([O-])c1cccnc1Nc1cnn(Cc2ccccn2)c1 ZINC000194977374 395455350 /nfs/dbraw/zinc/45/53/50/395455350.db2.gz COPQQVJIANUAFN-UHFFFAOYSA-N -1 0 296.290 2.373 20 5 CEBDRM O=C([O-])c1cc(N[C@@H](CO)CC2CCC2)ccc1[N+](=O)[O-] ZINC000566297054 395510761 /nfs/dbraw/zinc/51/07/61/395510761.db2.gz LHIUNGQJVXPZOS-LLVKDONJSA-N -1 0 294.307 2.256 20 5 CEBDRM C[C@@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCS1 ZINC000217316010 153297808 /nfs/dbraw/zinc/29/78/08/153297808.db2.gz ZVZKZZXGWNZSEC-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM Cc1cc(=O)[nH]c(C=Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000352025073 154320674 /nfs/dbraw/zinc/32/06/74/154320674.db2.gz CJXOHHIPBFVXNA-GORDUTHDSA-N -1 0 273.248 2.275 20 5 CEBDRM O=C([O-])c1coc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000183328016 165389842 /nfs/dbraw/zinc/38/98/42/165389842.db2.gz LQZWJWXQDXMCMJ-UHFFFAOYSA-N -1 0 276.204 2.138 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408160626 165697461 /nfs/dbraw/zinc/69/74/61/165697461.db2.gz WMEDYGUDVGOTDJ-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([O-])CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186032 172040744 /nfs/dbraw/zinc/04/07/44/172040744.db2.gz HUXXULHMZLDPCT-UHFFFAOYSA-N -1 0 261.237 2.030 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCC(=O)[O-] ZINC000036137991 172461385 /nfs/dbraw/zinc/46/13/85/172461385.db2.gz AGKDHBGVUPCZKO-UHFFFAOYSA-N -1 0 280.280 2.487 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc2ncccc2c1[N+](=O)[O-] ZINC000038021135 173999941 /nfs/dbraw/zinc/99/99/41/173999941.db2.gz NFXNHDVHGYQVFQ-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570410 175067983 /nfs/dbraw/zinc/06/79/83/175067983.db2.gz CWHUODMBPINEHP-QMMMGPOBSA-N -1 0 298.270 2.059 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000226166982 266017660 /nfs/dbraw/zinc/01/76/60/266017660.db2.gz NCZSGGQQWJVDOK-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM CC1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000232818379 270314742 /nfs/dbraw/zinc/31/47/42/270314742.db2.gz KSMVVCOFXZATMA-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(NCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000060272888 279646465 /nfs/dbraw/zinc/64/64/65/279646465.db2.gz HSLCBKQXBYMEPG-UHFFFAOYSA-N -1 0 272.260 2.230 20 5 CEBDRM CC1(C)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000164811444 281086396 /nfs/dbraw/zinc/08/63/96/281086396.db2.gz SWKNKUONFZXBAP-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC1(C)CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000280165491 281126927 /nfs/dbraw/zinc/12/69/27/281126927.db2.gz IIVYHTVHMGIRFD-LLVKDONJSA-N -1 0 280.280 2.197 20 5 CEBDRM CCc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000154133320 289136063 /nfs/dbraw/zinc/13/60/63/289136063.db2.gz XZJBPNNSFOJQPD-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NC3CCC3)[n-]2)cc1 ZINC000486944288 290322587 /nfs/dbraw/zinc/32/25/87/290322587.db2.gz PDFHKAIKBYNBSW-UHFFFAOYSA-N -1 0 260.253 2.031 20 5 CEBDRM C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157817908 299873822 /nfs/dbraw/zinc/87/38/22/299873822.db2.gz NFDZDHMEWATMST-KWQFWETISA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(CCc1cccnc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166130961 297464616 /nfs/dbraw/zinc/46/46/16/297464616.db2.gz ZFMWPPMKYOVCGH-UHFFFAOYSA-N -1 0 287.275 2.267 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C)S1 ZINC000543432375 298308666 /nfs/dbraw/zinc/30/86/66/298308666.db2.gz FGZLGRVNYJQDIJ-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM CC(C)(C)c1nc(=NCCc2ccccc2[N+](=O)[O-])[n-]o1 ZINC000548723652 298425867 /nfs/dbraw/zinc/42/58/67/298425867.db2.gz NNRCFBXKWRINPK-UHFFFAOYSA-N -1 0 290.323 2.352 20 5 CEBDRM O=C([O-])CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000559413537 298618285 /nfs/dbraw/zinc/61/82/85/298618285.db2.gz MHSIKURQKHDJIE-UHFFFAOYSA-N -1 0 293.279 2.066 20 5 CEBDRM Cc1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000085235329 302290349 /nfs/dbraw/zinc/29/03/49/302290349.db2.gz PIHMNIVCYUGZQQ-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCOC3(CCC3)C2)c1 ZINC000568637688 313964301 /nfs/dbraw/zinc/96/43/01/313964301.db2.gz XYUYGLKUWSQAJP-UHFFFAOYSA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(N2CC[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571050802 314069720 /nfs/dbraw/zinc/06/97/20/314069720.db2.gz VDRKDPYEMQELEI-MRVPVSSYSA-N -1 0 264.281 2.448 20 5 CEBDRM Cc1cc(N[C@H]2CO[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576878120 314319017 /nfs/dbraw/zinc/31/90/17/314319017.db2.gz YYTMEXMAMSNLDI-WCBMZHEXSA-N -1 0 280.280 2.191 20 5 CEBDRM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000577614745 314395262 /nfs/dbraw/zinc/39/52/62/314395262.db2.gz QBALIDQZRAMHBS-NSHDSACASA-N -1 0 294.307 2.217 20 5 CEBDRM CC[C@H](C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000381717024 321836250 /nfs/dbraw/zinc/83/62/50/321836250.db2.gz SUWYWZJFKQBBBM-WCBMZHEXSA-N -1 0 297.311 2.161 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000583264967 322535342 /nfs/dbraw/zinc/53/53/42/322535342.db2.gz BSEQQEWJFRVYFU-CQSZACIVSA-N -1 0 293.323 2.298 20 5 CEBDRM C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C[C@H](C)O ZINC000397811081 329397520 /nfs/dbraw/zinc/39/75/20/329397520.db2.gz IZUDTOGCETZYGR-BDAKNGLRSA-N -1 0 282.296 2.112 20 5 CEBDRM C[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H](C)O ZINC000397811966 329397522 /nfs/dbraw/zinc/39/75/22/329397522.db2.gz JLCNZZGNTOPEPM-BDAKNGLRSA-N -1 0 282.296 2.112 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cncs1 ZINC000355100000 533747165 /nfs/dbraw/zinc/74/71/65/533747165.db2.gz GHJRIVBHPPBBEN-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM Cc1cnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000164276401 534585623 /nfs/dbraw/zinc/58/56/23/534585623.db2.gz SYEFDZYVSSQSCH-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000156898650 527743309 /nfs/dbraw/zinc/74/33/09/527743309.db2.gz LCSAGMQIAGTUHR-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM COCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737762538 574424570 /nfs/dbraw/zinc/42/45/70/574424570.db2.gz HLGABONRWGFYGF-UHFFFAOYSA-N -1 0 288.687 2.395 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000740520095 574468437 /nfs/dbraw/zinc/46/84/37/574468437.db2.gz JNTARKYMALSAFL-VIFPVBQESA-N -1 0 265.269 2.149 20 5 CEBDRM O=C([O-])N[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000740596549 574471762 /nfs/dbraw/zinc/47/17/62/574471762.db2.gz NANPNFLZBNPGKD-VIFPVBQESA-N -1 0 299.714 2.090 20 5 CEBDRM CSC[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738188691 574502789 /nfs/dbraw/zinc/50/27/89/574502789.db2.gz PETJEXTVMCYHQU-ZETCQYMHSA-N -1 0 298.320 2.231 20 5 CEBDRM CC(C)(CCC(=O)Oc1cccc([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738747631 574624973 /nfs/dbraw/zinc/62/49/73/574624973.db2.gz PUKBCGIZTKAPIJ-UHFFFAOYSA-N -1 0 296.279 2.327 20 5 CEBDRM Cc1ccc(OC(=O)CCSCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000738641379 574872063 /nfs/dbraw/zinc/87/20/63/574872063.db2.gz QPVLHPWXRGRPFL-UHFFFAOYSA-N -1 0 299.304 2.017 20 5 CEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000738790360 574878734 /nfs/dbraw/zinc/87/87/34/574878734.db2.gz PVYIGNODDGLXOD-LLVKDONJSA-N -1 0 267.285 2.299 20 5 CEBDRM O=C([O-])NC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740646317 574962652 /nfs/dbraw/zinc/96/26/52/574962652.db2.gz VCDRHRDQOFZPNE-MRVPVSSYSA-N -1 0 299.714 2.342 20 5 CEBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000739558533 600209568 /nfs/dbraw/zinc/20/95/68/600209568.db2.gz MDOFFNIPALPMNL-RKDXNWHRSA-N -1 0 299.666 2.012 20 5 CEBDRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000121537921 600543185 /nfs/dbraw/zinc/54/31/85/600543185.db2.gz OCZFDNIUVFFBKE-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM O=C([O-])[C@H]1C[C@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000833181411 600868822 /nfs/dbraw/zinc/86/88/22/600868822.db2.gz OJHWMAGAMOKZAB-DTWKUNHWSA-N -1 0 299.666 2.012 20 5 CEBDRM C/C(=C/COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825774987 601407179 /nfs/dbraw/zinc/40/71/79/601407179.db2.gz JIENAUJMXRNGHL-DAXSKMNVSA-N -1 0 299.666 2.436 20 5 CEBDRM C/C(=C\COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000825775022 601413416 /nfs/dbraw/zinc/41/34/16/601413416.db2.gz KEPVGGALIWUAJA-QPJJXVBHSA-N -1 0 299.666 2.436 20 5 CEBDRM CN(CCNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828332475 603184678 /nfs/dbraw/zinc/18/46/78/603184678.db2.gz ODTJPRFBOASFMR-UHFFFAOYSA-N -1 0 273.676 2.270 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000830138216 603445647 /nfs/dbraw/zinc/44/56/47/603445647.db2.gz ODWBJXLUPOXPMW-JQWIXIFHSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(N(C)C(=O)[O-])CC2)c1 ZINC000830426705 603552788 /nfs/dbraw/zinc/55/27/88/603552788.db2.gz AFDGHKKGVUTDDF-UHFFFAOYSA-N -1 0 293.323 2.482 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000830427860 603555919 /nfs/dbraw/zinc/55/59/19/603555919.db2.gz OXENWDFNARVSLQ-WDEREUQCSA-N -1 0 293.323 2.386 20 5 CEBDRM CC(C)(CO)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000826616574 604814954 /nfs/dbraw/zinc/81/49/54/604814954.db2.gz NQFOYHYFPQKLDN-XQRVVYSFSA-N -1 0 294.307 2.123 20 5 CEBDRM O=C([O-])NC[C@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000832579708 605340423 /nfs/dbraw/zinc/34/04/23/605340423.db2.gz WXSLPMYNVRPSFU-SECBINFHSA-N -1 0 299.714 2.485 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000833818965 605498596 /nfs/dbraw/zinc/49/85/96/605498596.db2.gz RGJNJHVMRVEATR-RKDXNWHRSA-N -1 0 297.286 2.216 20 5 CEBDRM CC(C)(C)Oc1cc(NCCNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833791644 605917049 /nfs/dbraw/zinc/91/70/49/605917049.db2.gz VDPAHDPCQHHLSE-UHFFFAOYSA-N -1 0 297.311 2.452 20 5 CEBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])s1 ZINC000834097179 605949115 /nfs/dbraw/zinc/94/91/15/605949115.db2.gz SOSIKFPPEOPSIK-BDAKNGLRSA-N -1 0 297.336 2.377 20 5 CEBDRM O=C([O-])N[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834188772 605962566 /nfs/dbraw/zinc/96/25/66/605962566.db2.gz CFTSNCVAUNBITF-VIFPVBQESA-N -1 0 299.714 2.090 20 5 CEBDRM O=Cc1c[nH]nc1C=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000255323139 623635086 /nfs/dbraw/zinc/63/50/86/623635086.db2.gz NRGUENNFZUTCMK-IWQZZHSRSA-N -1 0 259.221 2.006 20 5 CEBDRM Cc1nnc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000176723038 624608797 /nfs/dbraw/zinc/60/87/97/624608797.db2.gz AAJWJMJUDGFUKG-UHFFFAOYSA-N -1 0 296.283 2.455 20 5 CEBDRM C[C@@H]1CC[C@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000312278452 628209158 /nfs/dbraw/zinc/20/91/58/628209158.db2.gz JLSVBFRARYJBKO-DTWKUNHWSA-N -1 0 279.296 2.313 20 5 CEBDRM O=c1[n-]c(Sc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000800869659 631603409 /nfs/dbraw/zinc/60/34/09/631603409.db2.gz BBCBPDNHOPOADN-UHFFFAOYSA-N -1 0 295.305 2.179 20 5 CEBDRM Cc1[n-]c(=NOCCOC(C)C)ccc1[N+](=O)[O-] ZINC000812489226 632537932 /nfs/dbraw/zinc/53/79/32/632537932.db2.gz VOQIVTDWQMBICS-UHFFFAOYSA-N -1 0 255.274 2.067 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000900369384 633688387 /nfs/dbraw/zinc/68/83/87/633688387.db2.gz HUEVNMBUHRRTGP-CYBMUJFWSA-N -1 0 297.286 2.210 20 5 CEBDRM O=C([O-])[C@]12C[C@H]1CCCN2Cc1csc([N+](=O)[O-])c1 ZINC000903936383 635360919 /nfs/dbraw/zinc/36/09/19/635360919.db2.gz IKJQPOHWNXNNHG-SKDRFNHKSA-N -1 0 282.321 2.095 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000834689634 637920173 /nfs/dbraw/zinc/92/01/73/637920173.db2.gz TUWQQINDRQVFIN-WPRPVWTQSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000910406081 638030546 /nfs/dbraw/zinc/03/05/46/638030546.db2.gz KLEBAMXMSFKAEY-SNVBAGLBSA-N -1 0 287.275 2.054 20 5 CEBDRM CC[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837366895 639205091 /nfs/dbraw/zinc/20/50/91/639205091.db2.gz CVEOQIKVQKLPTQ-QMMMGPOBSA-N -1 0 253.254 2.390 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000044618860 639347839 /nfs/dbraw/zinc/34/78/39/639347839.db2.gz XROXWNLFUZZZNP-QMMMGPOBSA-N -1 0 256.233 2.033 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000844220071 640634979 /nfs/dbraw/zinc/63/49/79/640634979.db2.gz ZYEUWSBVGIEDFB-SKDRFNHKSA-N -1 0 294.307 2.041 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC000849348581 642339301 /nfs/dbraw/zinc/33/93/01/642339301.db2.gz QGWOOOINJDQJHF-JTQLQIEISA-N -1 0 262.265 2.352 20 5 CEBDRM O=C(OCCC[C@H]1CCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000756068220 644600154 /nfs/dbraw/zinc/60/01/54/644600154.db2.gz XCHSIVQYTLWTSJ-SECBINFHSA-N -1 0 268.269 2.039 20 5 CEBDRM Cc1cc(F)cc(C(=O)[N-]c2cnoc2)c1[N+](=O)[O-] ZINC000758465156 644932966 /nfs/dbraw/zinc/93/29/66/644932966.db2.gz ITFGAHBDQAHEJJ-UHFFFAOYSA-N -1 0 265.200 2.283 20 5 CEBDRM O=C(OCc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000768789858 646165140 /nfs/dbraw/zinc/16/51/40/646165140.db2.gz NNUWVDCQIXBUSZ-UHFFFAOYSA-N -1 0 286.247 2.156 20 5 CEBDRM COC/C=C\C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000791392197 648515867 /nfs/dbraw/zinc/51/58/67/648515867.db2.gz KVLDUIJCDPLJRL-IHWYPQMZSA-N -1 0 286.671 2.095 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(F)(F)CC1 ZINC000794290748 648849252 /nfs/dbraw/zinc/84/92/52/648849252.db2.gz LCDBOZURBCIVTR-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1sccc1[N+](=O)[O-])CC2 ZINC000871867882 649203270 /nfs/dbraw/zinc/20/32/70/649203270.db2.gz ONXONEUNRPIMGH-SKDRFNHKSA-N -1 0 282.321 2.490 20 5 CEBDRM Cc1cc(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)ncc1[N+](=O)[O-] ZINC000871868188 649203372 /nfs/dbraw/zinc/20/33/72/649203372.db2.gz UYVQEYBTSVPUBT-SMDDNHRTSA-N -1 0 291.307 2.132 20 5 CEBDRM O=C([O-])CN(CC1CC1)c1ccc([N+](=O)[O-])cc1F ZINC000036885717 814936697 /nfs/dbraw/zinc/93/66/97/814936697.db2.gz VJSRMVAJMLUTPO-UHFFFAOYSA-N -1 0 268.244 2.035 20 5 CEBDRM Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC001168707851 809056527 /nfs/dbraw/zinc/05/65/27/809056527.db2.gz JTUBCNQCILAGEU-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CCCOC[C@H](C)Oc1[n-]c(C)cc(=O)c1[N+](=O)[O-] ZINC001231258820 810610953 /nfs/dbraw/zinc/61/09/53/810610953.db2.gz CSZFYFFWCAKVHU-VIFPVBQESA-N -1 0 270.285 2.198 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000120015624 810795416 /nfs/dbraw/zinc/79/54/16/810795416.db2.gz ZDDPZZJVZXLLCQ-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM O=Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC001138013481 815716977 /nfs/dbraw/zinc/71/69/77/815716977.db2.gz ORIDKPOMXBFDKE-UHFFFAOYSA-N -1 0 292.272 2.427 20 5 CEBDRM Nc1cn(-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2cccnc12 ZINC001174503238 816030514 /nfs/dbraw/zinc/03/05/14/816030514.db2.gz GBDBVPJBXNBBAH-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Nc1cccnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672164 816453036 /nfs/dbraw/zinc/45/30/36/816453036.db2.gz IDLYSXWHKGVULT-UHFFFAOYSA-N -1 0 274.236 2.014 20 5 CEBDRM O=C([O-])c1cc(Nc2cncc(Cl)n2)cc([N+](=O)[O-])c1 ZINC001176673634 816453739 /nfs/dbraw/zinc/45/37/39/816453739.db2.gz YUVUHCQBOJVKFP-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1O ZINC000036342681 361842254 /nfs/dbraw/zinc/84/22/54/361842254.db2.gz PTBAZLJPSSJIEM-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000037589496 361907023 /nfs/dbraw/zinc/90/70/23/361907023.db2.gz IULJQLANNSRFLB-SNVBAGLBSA-N -1 0 294.307 2.229 20 5 CEBDRM CCOC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000040690136 361995288 /nfs/dbraw/zinc/99/52/88/361995288.db2.gz DRHULVUUMZKEOX-UHFFFAOYSA-N -1 0 294.307 2.298 20 5 CEBDRM CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031398 362015060 /nfs/dbraw/zinc/01/50/60/362015060.db2.gz QKHOOTJDKJUMTJ-LBPRGKRZSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067173979 343731115 /nfs/dbraw/zinc/73/11/15/343731115.db2.gz ZKYIZWKNALFGMN-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM Cc1cc(NCCC2CC(O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567984994 299105323 /nfs/dbraw/zinc/10/53/23/299105323.db2.gz GOVCZMKGAMIJRL-UHFFFAOYSA-N -1 0 294.307 2.174 20 5 CEBDRM CCOCCN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092537548 344194787 /nfs/dbraw/zinc/19/47/87/344194787.db2.gz ROZVTQRNKPLGNM-UHFFFAOYSA-N -1 0 268.313 2.159 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H](C)CC(=O)[O-])c1 ZINC000147437429 344412507 /nfs/dbraw/zinc/41/25/07/344412507.db2.gz VLDZIVSCNPBXGE-SECBINFHSA-N -1 0 252.270 2.426 20 5 CEBDRM COC(C)(C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000160567296 344459599 /nfs/dbraw/zinc/45/95/99/344459599.db2.gz FWZDHOLAUDYQSY-UHFFFAOYSA-N -1 0 268.269 2.130 20 5 CEBDRM O=C([O-])c1cnc(NC[C@H]2CCCCS2)c([N+](=O)[O-])c1 ZINC000162459779 344467454 /nfs/dbraw/zinc/46/74/54/344467454.db2.gz PCKJOJZOKXFFIW-SECBINFHSA-N -1 0 297.336 2.386 20 5 CEBDRM O=C(Nc1c(O)cccc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000165004615 344473358 /nfs/dbraw/zinc/47/33/58/344473358.db2.gz WZVQDQUWBKAYQU-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000165956227 344475277 /nfs/dbraw/zinc/47/52/77/344475277.db2.gz NZXSJLKRRUSTIN-UHFFFAOYSA-N -1 0 298.270 2.027 20 5 CEBDRM CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000323916414 344753744 /nfs/dbraw/zinc/75/37/44/344753744.db2.gz TYADLHGVPMDOQX-ZDUSSCGKSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]1C(F)(F)F ZINC000590377239 345131832 /nfs/dbraw/zinc/13/18/32/345131832.db2.gz ACKAZFKDFAPABW-SECBINFHSA-N -1 0 290.197 2.077 20 5 CEBDRM CC(=O)c1ccc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000592420937 345351274 /nfs/dbraw/zinc/35/12/74/345351274.db2.gz QEQLOAZAXXLITA-WDEREUQCSA-N -1 0 292.291 2.463 20 5 CEBDRM C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000592420595 345351451 /nfs/dbraw/zinc/35/14/51/345351451.db2.gz FJNYPIUFARRTRF-CBAPKCEASA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1cc(N[C@H]2CC[C@H](O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592971897 345417221 /nfs/dbraw/zinc/41/72/21/345417221.db2.gz VEGVCUPUBQGGAI-HOMQSWHASA-N -1 0 294.307 2.317 20 5 CEBDRM CSCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592967143 345417351 /nfs/dbraw/zinc/41/73/51/345417351.db2.gz UETBBNLVWYRKGB-UHFFFAOYSA-N -1 0 270.310 2.376 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000592980705 345418557 /nfs/dbraw/zinc/41/85/57/345418557.db2.gz XFTHOXOSPNDYFY-GXSJLCMTSA-N -1 0 293.323 2.154 20 5 CEBDRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000593734108 345529335 /nfs/dbraw/zinc/52/93/35/345529335.db2.gz RKBSAIQNXSPJPN-SECBINFHSA-N -1 0 296.348 2.230 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000593880937 345547704 /nfs/dbraw/zinc/54/77/04/345547704.db2.gz BETKRFVWDVCBOC-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1cc(N2CC[C@H]3C[C@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000595277370 345753264 /nfs/dbraw/zinc/75/32/64/345753264.db2.gz DLGYNQCQGWROOI-UWVGGRQHSA-N -1 0 276.292 2.448 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157484735 232240048 /nfs/dbraw/zinc/24/00/48/232240048.db2.gz ZNRCHUPNOBBHJT-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)C[C@@H]2CC2(C)C)n1 ZINC000596025920 345924527 /nfs/dbraw/zinc/92/45/27/345924527.db2.gz JZWPAYACXSEBJB-VIFPVBQESA-N -1 0 293.323 2.479 20 5 CEBDRM O=C(N[C@H]1C=CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179543905 232394819 /nfs/dbraw/zinc/39/48/19/232394819.db2.gz JXXYNNHYZKICKB-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598192362 346302454 /nfs/dbraw/zinc/30/24/54/346302454.db2.gz ZNVIFZZOMWHOIT-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)(F)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598197175 346303091 /nfs/dbraw/zinc/30/30/91/346303091.db2.gz XYYHBVVWZBSULE-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM CC1(C)CC(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000598504217 346367131 /nfs/dbraw/zinc/36/71/31/346367131.db2.gz HZPNKFFXXHGQCW-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598910306 346433467 /nfs/dbraw/zinc/43/34/67/346433467.db2.gz SQMKSRORUGNKPE-SSDOTTSWSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(CCn1cccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294723 347764319 /nfs/dbraw/zinc/76/43/19/347764319.db2.gz GABGLXPJNUCMQU-UHFFFAOYSA-N -1 0 275.264 2.131 20 5 CEBDRM CC(C)CSCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273321342 192112668 /nfs/dbraw/zinc/11/26/68/192112668.db2.gz KWBODBLMMMZDFO-UHFFFAOYSA-N -1 0 298.364 2.419 20 5 CEBDRM CC(C)(NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)F ZINC000619421863 349176143 /nfs/dbraw/zinc/17/61/43/349176143.db2.gz JVSQAMXZOQZTKK-UHFFFAOYSA-N -1 0 274.223 2.074 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCCCCCC(=O)[O-] ZINC000091555536 180190156 /nfs/dbraw/zinc/19/01/56/180190156.db2.gz ALIUCDDFCWXWIU-UHFFFAOYSA-N -1 0 284.316 2.177 20 5 CEBDRM COc1cc(N[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000110624805 186306909 /nfs/dbraw/zinc/30/69/09/186306909.db2.gz ZFKHYWJDXKHWFO-LURJTMIESA-N -1 0 272.232 2.018 20 5 CEBDRM CC(C)O[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000295725731 199637101 /nfs/dbraw/zinc/63/71/01/199637101.db2.gz QYVKBVRUSBFOMY-UHFFFAOYSA-N -1 0 274.223 2.143 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000452206875 283220768 /nfs/dbraw/zinc/22/07/68/283220768.db2.gz MNRFCLZJMNVHKQ-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OC ZINC000452407891 283276213 /nfs/dbraw/zinc/27/62/13/283276213.db2.gz HVESHKBOIAFGIB-NOZJJQNGSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCSC[C@H](C(=O)[O-])C1 ZINC000577955564 366421107 /nfs/dbraw/zinc/42/11/07/366421107.db2.gz XXNBSKMXGBHWKR-SNVBAGLBSA-N -1 0 296.348 2.157 20 5 CEBDRM Cc1cc(NC[C@@H](C)C[C@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578656251 366529071 /nfs/dbraw/zinc/52/90/71/366529071.db2.gz NJXHZECBYHJTHC-WPRPVWTQSA-N -1 0 296.323 2.420 20 5 CEBDRM Cc1cc(=O)[nH]c(C=Cc2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000339115279 366659887 /nfs/dbraw/zinc/65/98/87/366659887.db2.gz CYQSYQBEVYGJJL-HWKANZROSA-N -1 0 273.248 2.275 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147329 283522692 /nfs/dbraw/zinc/52/26/92/283522692.db2.gz ZIAIVCRLSIZYPJ-JTQLQIEISA-N -1 0 294.307 2.134 20 5 CEBDRM O=C(C[C@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180775523 189274494 /nfs/dbraw/zinc/27/44/94/189274494.db2.gz PBIDDJULWHYRIP-SNVBAGLBSA-N -1 0 280.280 2.198 20 5 CEBDRM CSC[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182129041 189314522 /nfs/dbraw/zinc/31/45/22/189314522.db2.gz JNMOZTBURKAQCD-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000089531226 363977489 /nfs/dbraw/zinc/97/74/89/363977489.db2.gz IWQPHXCXCVFVNX-UHFFFAOYSA-N -1 0 287.275 2.185 20 5 CEBDRM C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546135 364081334 /nfs/dbraw/zinc/08/13/34/364081334.db2.gz MJAARZQBLDPNQZ-LDYMZIIASA-N -1 0 292.291 2.244 20 5 CEBDRM CSC[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583567140 367066436 /nfs/dbraw/zinc/06/64/36/367066436.db2.gz ISOFEUUFPIUTPO-SSDOTTSWSA-N -1 0 285.325 2.160 20 5 CEBDRM CCC(CC)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343277379 367739119 /nfs/dbraw/zinc/73/91/19/367739119.db2.gz XFGXWIZAKFQBLX-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CCCCc1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000349143657 369251869 /nfs/dbraw/zinc/25/18/69/369251869.db2.gz MUMQETBARDONDA-UHFFFAOYSA-N -1 0 294.286 2.494 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccoc1 ZINC000349950542 369462491 /nfs/dbraw/zinc/46/24/91/369462491.db2.gz YBDNCUAGSNQKFR-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM Cc1cncnc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350644455 369561974 /nfs/dbraw/zinc/56/19/74/369561974.db2.gz HISBSJKWRTYIFN-UHFFFAOYSA-N -1 0 299.246 2.116 20 5 CEBDRM C[C@@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C[C@H]2CC[C@@H]1O2 ZINC000191275226 369696843 /nfs/dbraw/zinc/69/68/43/369696843.db2.gz PHIFRRKHAGRFJF-LJWDBELGSA-N -1 0 292.291 2.197 20 5 CEBDRM CCC(CC)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236654700 370603992 /nfs/dbraw/zinc/60/39/92/370603992.db2.gz ABYDXFRFBGJZHE-UHFFFAOYSA-N -1 0 280.280 2.211 20 5 CEBDRM C[C@H](CC(=O)[O-])Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000235417970 370564700 /nfs/dbraw/zinc/56/47/00/370564700.db2.gz YPWHEMSWKRMUAT-RXMQYKEDSA-N -1 0 260.196 2.148 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)o1 ZINC000358568788 371121084 /nfs/dbraw/zinc/12/10/84/371121084.db2.gz ZVURUCCBPHUZHO-UHFFFAOYSA-N -1 0 298.276 2.003 20 5 CEBDRM O=C(NC12CCC(CC1)C2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000369911140 373535691 /nfs/dbraw/zinc/53/56/91/373535691.db2.gz XCASVKVLBUPJPX-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000272514590 373528599 /nfs/dbraw/zinc/52/85/99/373528599.db2.gz KJVIXTHPJQIHRV-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CCOCC(C)(C)CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000385737005 375241750 /nfs/dbraw/zinc/24/17/50/375241750.db2.gz ZNSVAJKQAGOQKB-UHFFFAOYSA-N -1 0 297.311 2.163 20 5 CEBDRM O=C([O-])c1cc(C(=O)NCC2CCCC2)cc([N+](=O)[O-])c1 ZINC000262051861 190047637 /nfs/dbraw/zinc/04/76/37/190047637.db2.gz BXFOZULQSKVJGL-UHFFFAOYSA-N -1 0 292.291 2.213 20 5 CEBDRM C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564453499 377393781 /nfs/dbraw/zinc/39/37/81/377393781.db2.gz OMRXTRSGVYTXDW-APPZFPTMSA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@H](C)CO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034192 377538528 /nfs/dbraw/zinc/53/85/28/377538528.db2.gz BIARXQXEZVIZNF-BDAKNGLRSA-N -1 0 282.296 2.030 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000565017945 377531880 /nfs/dbraw/zinc/53/18/80/377531880.db2.gz BQOGNDARAOAYKR-DTWKUNHWSA-N -1 0 282.271 2.311 20 5 CEBDRM CC[C@H](C)CONC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000293802897 377765098 /nfs/dbraw/zinc/76/50/98/377765098.db2.gz SYEVEFWFZYCTTC-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM CCC(CC)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)OC ZINC000293818897 377772870 /nfs/dbraw/zinc/77/28/70/377772870.db2.gz ZOQPPAVZMVROBG-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CO[C@@H]1CCC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000346333896 217874080 /nfs/dbraw/zinc/87/40/80/217874080.db2.gz WFUOCSDZTWKQCW-GXSJLCMTSA-N -1 0 294.307 2.444 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1ncon1 ZINC000555337288 380821998 /nfs/dbraw/zinc/82/19/98/380821998.db2.gz GQRGCYBDROAIAP-LBPRGKRZSA-N -1 0 290.279 2.021 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccnc1 ZINC000159905208 533290900 /nfs/dbraw/zinc/29/09/00/533290900.db2.gz WHITZOZHJOOXPL-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000037115760 134832568 /nfs/dbraw/zinc/83/25/68/134832568.db2.gz JTVFTVICBGTCLY-SNVBAGLBSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269275535 394716618 /nfs/dbraw/zinc/71/66/18/394716618.db2.gz IJERQCBXSDGJJJ-BDAKNGLRSA-N -1 0 296.348 2.266 20 5 CEBDRM CO[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(C)C ZINC000416262083 395041552 /nfs/dbraw/zinc/04/15/52/395041552.db2.gz NVWXQVNADGPGKS-CYBMUJFWSA-N -1 0 296.323 2.091 20 5 CEBDRM COc1ccc2nc(-c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2n1 ZINC000436743893 395150640 /nfs/dbraw/zinc/15/06/40/395150640.db2.gz ZDWVXSISXOHRLV-UHFFFAOYSA-N -1 0 286.247 2.247 20 5 CEBDRM O=C(Nc1cncc(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436775748 395153295 /nfs/dbraw/zinc/15/32/95/395153295.db2.gz RCUFKDCZZWZDQV-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC1(C)C ZINC000436819318 395156192 /nfs/dbraw/zinc/15/61/92/395156192.db2.gz DIDKGHPCOHCHCG-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000191931877 395366504 /nfs/dbraw/zinc/36/65/04/395366504.db2.gz KWRGGJJHMRBKDJ-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(NC[C@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194049322 395423904 /nfs/dbraw/zinc/42/39/04/395423904.db2.gz CAOFLJMBYSRRJP-GFCCVEGCSA-N -1 0 298.298 2.370 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000574404545 395629280 /nfs/dbraw/zinc/62/92/80/395629280.db2.gz WCHHTFOWYIJIQR-KWQFWETISA-N -1 0 292.291 2.097 20 5 CEBDRM CC(C)(CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000229541238 153372324 /nfs/dbraw/zinc/37/23/24/153372324.db2.gz DXKVPHXFJJNLML-UHFFFAOYSA-N -1 0 284.243 2.173 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000230688136 153399429 /nfs/dbraw/zinc/39/94/29/153399429.db2.gz TZLDFCZIVJLNFU-GXSJLCMTSA-N -1 0 278.308 2.466 20 5 CEBDRM Cc1c(NC(=O)N(C)CCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000234285211 153424756 /nfs/dbraw/zinc/42/47/56/153424756.db2.gz OQLFFBWATPOZMF-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000263316837 154054823 /nfs/dbraw/zinc/05/48/23/154054823.db2.gz ZFIOUCKDIKPDMR-PCAWENJQSA-N -1 0 292.291 2.052 20 5 CEBDRM CCCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165113437 162339829 /nfs/dbraw/zinc/33/98/29/162339829.db2.gz DIIDCQHIMDBZCF-LLVKDONJSA-N -1 0 298.270 2.107 20 5 CEBDRM O=C([O-])c1ccnc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000079701979 177539259 /nfs/dbraw/zinc/53/92/59/177539259.db2.gz KVSQONJJTFHMRZ-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC000355913092 228048024 /nfs/dbraw/zinc/04/80/24/228048024.db2.gz MNHXQKWBMQXLJC-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)n1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000188644661 262333580 /nfs/dbraw/zinc/33/35/80/262333580.db2.gz KMIHTFXZGIJYAB-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000436957988 271697133 /nfs/dbraw/zinc/69/71/33/271697133.db2.gz ZCULLTBZQYCZQD-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000136495474 280061529 /nfs/dbraw/zinc/06/15/29/280061529.db2.gz XBOVOPXXSWZWQC-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000235323345 280221036 /nfs/dbraw/zinc/22/10/36/280221036.db2.gz FPCZCHYFNQDXOS-BDAKNGLRSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([O-])c1[N+](=O)[O-] ZINC000458294416 289911071 /nfs/dbraw/zinc/91/10/71/289911071.db2.gz JWTICIMVWVRZJN-MIMYLULJSA-N -1 0 276.292 2.219 20 5 CEBDRM O=C([O-])Cc1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000564087576 298816881 /nfs/dbraw/zinc/81/68/81/298816881.db2.gz CINDXJOBMDDMSG-UHFFFAOYSA-N -1 0 294.307 2.060 20 5 CEBDRM CC[C@@H](C)[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564572249 313768176 /nfs/dbraw/zinc/76/81/76/313768176.db2.gz OJHUAIDVDYYEHB-PELKAZGASA-N -1 0 296.323 2.420 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000571981309 314114700 /nfs/dbraw/zinc/11/47/00/314114700.db2.gz UGZBJCRLZCWDKY-BYCRGOAPSA-N -1 0 292.291 2.052 20 5 CEBDRM C[C@@H](C[C@H]1CCCO1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576520972 314284049 /nfs/dbraw/zinc/28/40/49/314284049.db2.gz QFZLKYLYETZIOM-WCBMZHEXSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(NCC(C)(C)CCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580648913 322332637 /nfs/dbraw/zinc/33/26/37/322332637.db2.gz FYNYANZGAFDVTQ-UHFFFAOYSA-N -1 0 296.323 2.422 20 5 CEBDRM Cc1cc(N[C@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581133910 322371737 /nfs/dbraw/zinc/37/17/37/322371737.db2.gz HFSJGJWBOMMCPD-VIFPVBQESA-N -1 0 280.280 2.192 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CCOCC2)c1 ZINC000211939078 326866743 /nfs/dbraw/zinc/86/67/43/326866743.db2.gz IQTYWRYKNQIIRN-UHFFFAOYSA-N -1 0 280.280 2.132 20 5 CEBDRM C[C@H](CN(C)c1ccnc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000214693079 327040116 /nfs/dbraw/zinc/04/01/16/327040116.db2.gz KIQOZTJGDCZNBK-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM O=C([O-])c1cc(NCCCOC(F)F)ccc1[N+](=O)[O-] ZINC000398205235 329438369 /nfs/dbraw/zinc/43/83/69/329438369.db2.gz CENVIBZJLQQZOL-UHFFFAOYSA-N -1 0 290.222 2.334 20 5 CEBDRM C[C@@H]1C[C@H]1CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357307608 534023683 /nfs/dbraw/zinc/02/36/83/534023683.db2.gz DBEUYQQKSDUSPU-SCZZXKLOSA-N -1 0 274.280 2.135 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000163955473 534715034 /nfs/dbraw/zinc/71/50/34/534715034.db2.gz SXNHNBMAUVVPDI-UHFFFAOYSA-N -1 0 298.298 2.499 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186747450 528966112 /nfs/dbraw/zinc/96/61/12/528966112.db2.gz CBFMXIZIBOQSAS-SNVBAGLBSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000738792038 574725497 /nfs/dbraw/zinc/72/54/97/574725497.db2.gz YUBOREQYABPOLU-LLVKDONJSA-N -1 0 285.275 2.438 20 5 CEBDRM O=C([N-]c1nc(C2CC2)no1)c1ccc([N+](=O)[O-])s1 ZINC000734878280 574733600 /nfs/dbraw/zinc/73/36/00/574733600.db2.gz HQLYKKPBJRVFJF-UHFFFAOYSA-N -1 0 280.265 2.169 20 5 CEBDRM CC(C)[C@H](O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736390447 574785954 /nfs/dbraw/zinc/78/59/54/574785954.db2.gz PZVCSRFZMAHMSB-DIECRNLCSA-N -1 0 294.307 2.121 20 5 CEBDRM CC(C)C[C@@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])nc1 ZINC000738805508 574879675 /nfs/dbraw/zinc/87/96/75/574879675.db2.gz BEAUAVFQNBKQFD-JTQLQIEISA-N -1 0 282.300 2.084 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)[O-] ZINC000739193054 574899107 /nfs/dbraw/zinc/89/91/07/574899107.db2.gz KQMMGYGGBZTVHL-BXKDBHETSA-N -1 0 279.296 2.077 20 5 CEBDRM C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739196961 574899295 /nfs/dbraw/zinc/89/92/95/574899295.db2.gz XAYISLAMQVAPIG-PSASIEDQSA-N -1 0 297.286 2.216 20 5 CEBDRM O=C([O-])Cc1cccc(Oc2cccnc2[N+](=O)[O-])c1 ZINC000739891524 574935693 /nfs/dbraw/zinc/93/56/93/574935693.db2.gz IJOHLNAGNHPISD-UHFFFAOYSA-N -1 0 274.232 2.409 20 5 CEBDRM Cc1c(CN2CCN(C(=O)[O-])[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000740049865 574940100 /nfs/dbraw/zinc/94/01/00/574940100.db2.gz SBLKWHXCVWLWGZ-JTQLQIEISA-N -1 0 293.323 2.087 20 5 CEBDRM Cc1ccnc(NCCCN(C(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000740196399 574947853 /nfs/dbraw/zinc/94/78/53/574947853.db2.gz UCNRDAJXDKFTTM-UHFFFAOYSA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1ccc([N+](=O)[O-])s1 ZINC000740522108 574957887 /nfs/dbraw/zinc/95/78/87/574957887.db2.gz ZMQTYFXWHYIWGU-SSDOTTSWSA-N -1 0 271.298 2.211 20 5 CEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)[O-] ZINC000820405392 598019740 /nfs/dbraw/zinc/01/97/40/598019740.db2.gz IGYJIWFMFNDXMI-ZETCQYMHSA-N -1 0 299.304 2.337 20 5 CEBDRM CCC[C@](C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165116647 599995506 /nfs/dbraw/zinc/99/55/06/599995506.db2.gz COWOJTVWNZFRPA-ZDUSSCGKSA-N -1 0 298.270 2.107 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147225 600995418 /nfs/dbraw/zinc/99/54/18/600995418.db2.gz WVCJXVJNUPSMTQ-BXKDBHETSA-N -1 0 294.307 2.132 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1OC/C=C(\C)C(=O)[O-] ZINC000214588887 601097138 /nfs/dbraw/zinc/09/71/38/601097138.db2.gz WVNYIBCHOCOVEG-VMPITWQZSA-N -1 0 267.237 2.013 20 5 CEBDRM C/C(=C/COc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000214736050 601099091 /nfs/dbraw/zinc/09/90/91/601099091.db2.gz IGMQVIFTRPNAQJ-VURMDHGXSA-N -1 0 251.238 2.313 20 5 CEBDRM C/C(=C/CN(C)Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000825729551 601155855 /nfs/dbraw/zinc/15/58/55/601155855.db2.gz GMTUHNAPFMWUAC-YFHOEESVSA-N -1 0 264.281 2.058 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NCC(F)F)c([N+](=O)[O-])c1 ZINC000833197097 601378818 /nfs/dbraw/zinc/37/88/18/601378818.db2.gz JGMAADYVFXMAAC-RQOWECAXSA-N -1 0 272.207 2.370 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827949732 601442465 /nfs/dbraw/zinc/44/24/65/601442465.db2.gz OETKTHWAZNMUAH-RNCFNFMXSA-N -1 0 282.271 2.154 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000799243783 601468741 /nfs/dbraw/zinc/46/87/41/601468741.db2.gz NHBPGQWWJJQANE-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM CC(=O)c1ccc(N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263424001 601864293 /nfs/dbraw/zinc/86/42/93/601864293.db2.gz QOAVWRFTGHORHU-AWEZNQCLSA-N -1 0 292.291 2.098 20 5 CEBDRM C[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000062933435 601864468 /nfs/dbraw/zinc/86/44/68/601864468.db2.gz OSDIWZRGGBTHFU-LBPRGKRZSA-N -1 0 268.244 2.035 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)NC(=O)[O-] ZINC000830138752 603445512 /nfs/dbraw/zinc/44/55/12/603445512.db2.gz ZWWKAFPRMREMPX-UHFFFAOYSA-N -1 0 267.285 2.361 20 5 CEBDRM Cc1ccc(N2CCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000042162314 604469463 /nfs/dbraw/zinc/46/94/63/604469463.db2.gz DWHIIUVPBMWPNB-SNVBAGLBSA-N -1 0 264.281 2.347 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000833195996 604647737 /nfs/dbraw/zinc/64/77/37/604647737.db2.gz LGPJNHDYPDAIEH-HWKANZROSA-N -1 0 292.291 2.020 20 5 CEBDRM CC[C@@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000833646983 605015154 /nfs/dbraw/zinc/01/51/54/605015154.db2.gz WGOXBZRXSMQIFF-MRVPVSSYSA-N -1 0 287.655 2.268 20 5 CEBDRM COc1cc(NCC2(NC(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000833887451 605360688 /nfs/dbraw/zinc/36/06/88/605360688.db2.gz GMHZNAGORGYGOR-UHFFFAOYSA-N -1 0 295.295 2.206 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000833820329 605501421 /nfs/dbraw/zinc/50/14/21/605501421.db2.gz XLUKJURIHGSVBT-DTWKUNHWSA-N -1 0 297.286 2.216 20 5 CEBDRM O=C([O-])N[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000834150836 605921773 /nfs/dbraw/zinc/92/17/73/605921773.db2.gz PLLGXXYVQFIDDX-SNVBAGLBSA-N -1 0 283.259 2.192 20 5 CEBDRM CC(C)[C@@H](CNc1sccc1[N+](=O)[O-])NC(=O)[O-] ZINC000833792558 605991008 /nfs/dbraw/zinc/99/10/08/605991008.db2.gz JQBHUOYLSJMENG-SSDOTTSWSA-N -1 0 273.314 2.360 20 5 CEBDRM CS[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075178485 625286332 /nfs/dbraw/zinc/28/63/32/625286332.db2.gz WKZZFJBDGQRHRA-UWVGGRQHSA-N -1 0 296.348 2.314 20 5 CEBDRM O=[N+]([O-])c1cnc([N-]c2cnn(C3CCCC3)c2)nc1 ZINC000895888026 630389516 /nfs/dbraw/zinc/38/95/16/630389516.db2.gz XVLBSYGZZOKTAU-UHFFFAOYSA-N -1 0 274.284 2.440 20 5 CEBDRM C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@]1(F)Cl ZINC000821865224 634814220 /nfs/dbraw/zinc/81/42/20/634814220.db2.gz IYRRPZYTSPZIRX-UWVGGRQHSA-N -1 0 276.651 2.394 20 5 CEBDRM Cc1cc(=NOCCOC(C)C)[n-]cc1[N+](=O)[O-] ZINC000812488309 632538071 /nfs/dbraw/zinc/53/80/71/632538071.db2.gz DHIJOPXKAYPYCU-UHFFFAOYSA-N -1 0 255.274 2.067 20 5 CEBDRM CCc1nc(C)c(COC(=O)c2ccc([N+](=O)[O-])[n-]2)o1 ZINC000814070024 632784751 /nfs/dbraw/zinc/78/47/51/632784751.db2.gz GCBITWWTICWREA-UHFFFAOYSA-N -1 0 279.252 2.139 20 5 CEBDRM CC(C)(C(=O)[N-]OCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000816104758 633118910 /nfs/dbraw/zinc/11/89/10/633118910.db2.gz DSDVPBDZKIULMG-UHFFFAOYSA-N -1 0 288.250 2.185 20 5 CEBDRM C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000901597411 634203874 /nfs/dbraw/zinc/20/38/74/634203874.db2.gz GTCWXCBATBEICE-MRVPVSSYSA-N -1 0 286.715 2.401 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](CF)C2)n1 ZINC000906148924 636624913 /nfs/dbraw/zinc/62/49/13/636624913.db2.gz NCWNEBHVHDYBCH-VIFPVBQESA-N -1 0 297.286 2.182 20 5 CEBDRM O=C([O-])[C@]1(F)CN(c2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000910475668 638068201 /nfs/dbraw/zinc/06/82/01/638068201.db2.gz UCYDOZOINZCBDM-CQSZACIVSA-N -1 0 294.282 2.378 20 5 CEBDRM C[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000837560313 639282626 /nfs/dbraw/zinc/28/26/26/639282626.db2.gz XSRZWLVHWJZXAQ-MRVPVSSYSA-N -1 0 265.265 2.390 20 5 CEBDRM CC(C)(C)OCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837617138 639309579 /nfs/dbraw/zinc/30/95/79/639309579.db2.gz AWTSBUOKLLXBLP-UHFFFAOYSA-N -1 0 283.280 2.159 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1[C@@H]2CCC[C@@H]21 ZINC000837616877 639309832 /nfs/dbraw/zinc/30/98/32/639309832.db2.gz CWXLNMOHGNLBKC-PJXYFTJBSA-N -1 0 277.276 2.390 20 5 CEBDRM COC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000837665198 639332971 /nfs/dbraw/zinc/33/29/71/639332971.db2.gz BBMCSKZBLNJCMF-UHFFFAOYSA-N -1 0 295.291 2.303 20 5 CEBDRM O=C([O-])CCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000843302369 640380771 /nfs/dbraw/zinc/38/07/71/640380771.db2.gz IKJYDUHJPVQCFD-UHFFFAOYSA-N -1 0 259.645 2.492 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NCCCCCO)c([N+](=O)[O-])c1 ZINC000844207011 640632240 /nfs/dbraw/zinc/63/22/40/640632240.db2.gz ZSTPAIKRBCGTRZ-FNORWQNLSA-N -1 0 294.307 2.267 20 5 CEBDRM C[C@@]1(O)C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844213213 640633627 /nfs/dbraw/zinc/63/36/27/640633627.db2.gz HQLILABGJLUHGO-KVFYDYKNSA-N -1 0 292.291 2.018 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCSC[C@@H](C(=O)[O-])C1 ZINC000844219326 640634865 /nfs/dbraw/zinc/63/48/65/640634865.db2.gz UCRZQYXVLAORDC-JTQLQIEISA-N -1 0 296.348 2.157 20 5 CEBDRM CO[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000920123849 641118696 /nfs/dbraw/zinc/11/86/96/641118696.db2.gz JFPFSCHBKICQTC-IUCAKERBSA-N -1 0 268.269 2.037 20 5 CEBDRM CC(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)[O-] ZINC000848638485 642084830 /nfs/dbraw/zinc/08/48/30/642084830.db2.gz UGPVDQLVZJRPKS-QMMMGPOBSA-N -1 0 297.267 2.272 20 5 CEBDRM C[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680717 645308166 /nfs/dbraw/zinc/30/81/66/645308166.db2.gz VAFUOIJQMISGTA-ZWNOBZJWSA-N -1 0 294.307 2.273 20 5 CEBDRM CSC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780600545 647450183 /nfs/dbraw/zinc/45/01/83/647450183.db2.gz OYACFSKLHVHMQA-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000785917747 647969098 /nfs/dbraw/zinc/96/90/98/647969098.db2.gz KAPDHKAQMTZJLW-QMMMGPOBSA-N -1 0 268.269 2.037 20 5 CEBDRM O=C(OC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000870667627 648866717 /nfs/dbraw/zinc/86/67/17/648866717.db2.gz NJGPFDADCGWIKA-IUCAKERBSA-N -1 0 250.254 2.126 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000871033725 648985069 /nfs/dbraw/zinc/98/50/69/648985069.db2.gz FODQXVCMKQFEMH-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM O=C([O-])[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000693028851 802553173 /nfs/dbraw/zinc/55/31/73/802553173.db2.gz MTTRHNJRJCJHLN-LJGSYFOKSA-N -1 0 254.217 2.009 20 5 CEBDRM Cc1cccc(NC[C@@H]2C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000715313502 814946763 /nfs/dbraw/zinc/94/67/63/814946763.db2.gz KDGRYQINJKGZGE-IUCAKERBSA-N -1 0 250.254 2.036 20 5 CEBDRM Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000036964512 814958190 /nfs/dbraw/zinc/95/81/90/814958190.db2.gz IXKSVLCXNNCBFE-SNVBAGLBSA-N -1 0 264.281 2.204 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000715972597 815011126 /nfs/dbraw/zinc/01/11/26/815011126.db2.gz IHTGIBHXZMKKSA-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM Cc1ccc(NCC2(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000138978053 807244865 /nfs/dbraw/zinc/24/48/65/807244865.db2.gz OAXHUJKQWBZRLC-UHFFFAOYSA-N -1 0 250.254 2.180 20 5 CEBDRM O=[N+]([O-])c1nccnc1[N-][C@@H](c1ccccn1)C(F)(F)F ZINC001168476559 807700672 /nfs/dbraw/zinc/70/06/72/807700672.db2.gz FEALWTFYNFJBGX-QMMMGPOBSA-N -1 0 299.212 2.495 20 5 CEBDRM C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739185566 810159266 /nfs/dbraw/zinc/15/92/66/810159266.db2.gz AKNYSGBDBSPGOM-WCBMZHEXSA-N -1 0 299.352 2.134 20 5 CEBDRM Cc1cncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174502631 816029105 /nfs/dbraw/zinc/02/91/05/816029105.db2.gz VVGCZRLVKRGMTM-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM COc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176672162 816452862 /nfs/dbraw/zinc/45/28/62/816452862.db2.gz IBQDXMBAAAQEBW-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM O=C([O-])c1cc(Nc2cncs2)cc([N+](=O)[O-])c1 ZINC001176675407 816454272 /nfs/dbraw/zinc/45/42/72/816454272.db2.gz VWVUXACRCSUXQG-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C2(C)CC2)cc1=O ZINC000601934515 346930822 /nfs/dbraw/zinc/93/08/22/346930822.db2.gz CDIKGOOXJTYZPS-UHFFFAOYSA-N -1 0 289.291 2.496 20 5 CEBDRM CCO[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000044412831 343471478 /nfs/dbraw/zinc/47/14/78/343471478.db2.gz ZRPNEPNLTCWCRD-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567978006 299103225 /nfs/dbraw/zinc/10/32/25/299103225.db2.gz TURAGJZOOQSYSK-GXTWGEPZSA-N -1 0 294.307 2.256 20 5 CEBDRM C[C@@]1(CO)CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567978008 299103288 /nfs/dbraw/zinc/10/32/88/299103288.db2.gz TURAGJZOOQSYSK-OCCSQVGLSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1cc(N[C@H](C)[C@@H](C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567979413 299103829 /nfs/dbraw/zinc/10/38/29/299103829.db2.gz LBDQTUXQZHVMAH-DTWKUNHWSA-N -1 0 282.296 2.030 20 5 CEBDRM C[C@H]1C[C@@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567981360 299104795 /nfs/dbraw/zinc/10/47/95/299104795.db2.gz HHPFTRPDKARZQY-WCBMZHEXSA-N -1 0 264.281 2.290 20 5 CEBDRM COc1cc(N2CCC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111045095 344270475 /nfs/dbraw/zinc/27/04/75/344270475.db2.gz KEMZEKSTIVVDQY-CQSZACIVSA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cccc(N2CCC[C@@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134885597 344378437 /nfs/dbraw/zinc/37/84/37/344378437.db2.gz KKRCHTLHEMGJOD-CQSZACIVSA-N -1 0 294.307 2.295 20 5 CEBDRM CC[C@@H](Nc1cc(OC)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000227855204 344556957 /nfs/dbraw/zinc/55/69/57/344556957.db2.gz AZARQWGFMPHHFS-SSDOTTSWSA-N -1 0 272.232 2.018 20 5 CEBDRM O=C([O-])c1cc(NC[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000228578854 344561694 /nfs/dbraw/zinc/56/16/94/344561694.db2.gz OYEATJMTHNNSLP-MRVPVSSYSA-N -1 0 282.321 2.458 20 5 CEBDRM O=C([O-])C1(CNc2ncc([N+](=O)[O-])cc2Cl)CCC1 ZINC000236426023 344595203 /nfs/dbraw/zinc/59/52/03/344595203.db2.gz HNGOUKIICCUKSH-UHFFFAOYSA-N -1 0 285.687 2.310 20 5 CEBDRM CSC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000312258981 344737772 /nfs/dbraw/zinc/73/77/72/344737772.db2.gz ZJAZEJFIFXOSKJ-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000323916411 344753738 /nfs/dbraw/zinc/75/37/38/344753738.db2.gz TYADLHGVPMDOQX-CYBMUJFWSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000054297915 362524674 /nfs/dbraw/zinc/52/46/74/362524674.db2.gz JFOJHUVLTLSZOK-SECBINFHSA-N -1 0 282.271 2.425 20 5 CEBDRM O=C(N[C@H]1CCCC1(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000588787469 345055260 /nfs/dbraw/zinc/05/52/60/345055260.db2.gz GSNLRQMIFZOCOG-JTQLQIEISA-N -1 0 286.234 2.218 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@H]1C(F)(F)F ZINC000590379465 345132505 /nfs/dbraw/zinc/13/25/05/345132505.db2.gz FDJDMOHLAXMNLH-QMMMGPOBSA-N -1 0 290.197 2.077 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000097065586 185520622 /nfs/dbraw/zinc/52/06/22/185520622.db2.gz RUHWVKWQOSRCJS-SCZZXKLOSA-N -1 0 250.254 2.260 20 5 CEBDRM C[C@H]1CCN(c2sccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000592421075 345351035 /nfs/dbraw/zinc/35/10/35/345351035.db2.gz LVUVNSWEIPWTAC-JGVFFNPUSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000019475757 232174523 /nfs/dbraw/zinc/17/45/23/232174523.db2.gz CKVBLLFEZHVKDS-UHFFFAOYSA-N -1 0 294.307 2.360 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](CC(=O)[O-])C1CC1 ZINC000594736790 345682128 /nfs/dbraw/zinc/68/21/28/345682128.db2.gz VFEZWLSNMJSATC-JTQLQIEISA-N -1 0 296.327 2.032 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000595969487 345919033 /nfs/dbraw/zinc/91/90/33/345919033.db2.gz QOYDYNIDBALJCI-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM CC[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000597975736 346261913 /nfs/dbraw/zinc/26/19/13/346261913.db2.gz MOWHNIKEJHZQAK-SECBINFHSA-N -1 0 266.297 2.466 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000598379944 346342398 /nfs/dbraw/zinc/34/23/98/346342398.db2.gz CXEBVYVGRVFCGA-CYBMUJFWSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598910308 346433242 /nfs/dbraw/zinc/43/32/42/346433242.db2.gz SQMKSRORUGNKPE-ZETCQYMHSA-N -1 0 286.234 2.076 20 5 CEBDRM CC(C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600878564 346702726 /nfs/dbraw/zinc/70/27/26/346702726.db2.gz YISUWDXCAYWFJS-AWEZNQCLSA-N -1 0 294.307 2.057 20 5 CEBDRM O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCCC2(CC2)CC1 ZINC000600769234 346686200 /nfs/dbraw/zinc/68/62/00/346686200.db2.gz RVBNMPIDNPROJU-UHFFFAOYSA-N -1 0 291.307 2.102 20 5 CEBDRM C[C@@H]1C[C@@H]1c1n[n-]c(=NCc2cccc([N+](=O)[O-])c2)o1 ZINC000601065204 346742208 /nfs/dbraw/zinc/74/22/08/346742208.db2.gz XEFGIWVIHGZBAC-KCJUWKMLSA-N -1 0 274.280 2.135 20 5 CEBDRM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cn2)c1=O ZINC000603921244 347398039 /nfs/dbraw/zinc/39/80/39/347398039.db2.gz NBPXNXRPONEGCD-JTQLQIEISA-N -1 0 262.269 2.129 20 5 CEBDRM CO[C@@H](C)c1nc(=NCc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000336830576 365894998 /nfs/dbraw/zinc/89/49/98/365894998.db2.gz MMUWPTXPONSRRR-QMMMGPOBSA-N -1 0 294.336 2.188 20 5 CEBDRM CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCOCC1 ZINC000611294722 347764191 /nfs/dbraw/zinc/76/41/91/347764191.db2.gz FZMXDUDNVAUJFJ-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM O=C(CCn1cccc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000614271968 348171690 /nfs/dbraw/zinc/17/16/90/348171690.db2.gz JNZGAQMZUWKFMY-UHFFFAOYSA-N -1 0 275.264 2.131 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273388489 192135643 /nfs/dbraw/zinc/13/56/43/192135643.db2.gz GBIWFGUOMUDNIM-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@@H](CC(=O)[O-])SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000090097263 179913752 /nfs/dbraw/zinc/91/37/52/179913752.db2.gz WTDGALMXDOGTSC-QMMMGPOBSA-N -1 0 298.320 2.130 20 5 CEBDRM Cc1cnc(NC(C)(C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000090691701 180024773 /nfs/dbraw/zinc/02/47/73/180024773.db2.gz HXIAKBQZYSCEII-UHFFFAOYSA-N -1 0 267.285 2.354 20 5 CEBDRM Cc1ccnc(N2CCC[C@H](CCC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000070495592 363090982 /nfs/dbraw/zinc/09/09/82/363090982.db2.gz RVWPJDAFDLLLDV-LLVKDONJSA-N -1 0 293.323 2.379 20 5 CEBDRM CCOc1cccc(N(C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC000134882060 366367243 /nfs/dbraw/zinc/36/72/43/366367243.db2.gz GGWGJDQEMIAZSZ-UHFFFAOYSA-N -1 0 282.296 2.295 20 5 CEBDRM CCOc1cccc(N(C)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000134883800 366367785 /nfs/dbraw/zinc/36/77/85/366367785.db2.gz DDAISCCVFRFYLM-SECBINFHSA-N -1 0 282.296 2.150 20 5 CEBDRM Cc1nc([N-]c2cnn(CC(C)C)c2)ncc1[N+](=O)[O-] ZINC000297083886 200081210 /nfs/dbraw/zinc/08/12/10/200081210.db2.gz KAOGTCQNDUWBNK-UHFFFAOYSA-N -1 0 276.300 2.289 20 5 CEBDRM CCn1nc(C)c([N-]c2ncc([N+](=O)[O-])c(C)n2)c1C ZINC000297200357 200112894 /nfs/dbraw/zinc/11/28/94/200112894.db2.gz RIDZTLKOWWXEDK-UHFFFAOYSA-N -1 0 276.300 2.270 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cncs1 ZINC000338908042 366566747 /nfs/dbraw/zinc/56/67/47/366566747.db2.gz VFSQRSJZDSZBDP-ZETCQYMHSA-N -1 0 293.304 2.248 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000339064309 366637240 /nfs/dbraw/zinc/63/72/40/366637240.db2.gz DZIGOOGEVSITND-ZDUSSCGKSA-N -1 0 288.307 2.361 20 5 CEBDRM COc1cnc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000571422209 299309969 /nfs/dbraw/zinc/30/99/69/299309969.db2.gz SEIDWAISEAFSMK-UHFFFAOYSA-N -1 0 295.276 2.018 20 5 CEBDRM CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000581827590 366824975 /nfs/dbraw/zinc/82/49/75/366824975.db2.gz WGWZKFQNZZMZTD-RNCFNFMXSA-N -1 0 294.307 2.154 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc1 ZINC000027645267 361657770 /nfs/dbraw/zinc/65/77/70/361657770.db2.gz QWMGIWQLZSNJRZ-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2cccnc2)c([N+](=O)[O-])c1 ZINC000102907559 364617717 /nfs/dbraw/zinc/61/77/17/364617717.db2.gz KHUIJPPWVIKSDM-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C([O-])C1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000111471784 364740991 /nfs/dbraw/zinc/74/09/91/364740991.db2.gz TVELPPXOKXGDBQ-UHFFFAOYSA-N -1 0 292.291 2.424 20 5 CEBDRM Cc1c(CC(=O)NO[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000164246683 367281049 /nfs/dbraw/zinc/28/10/49/367281049.db2.gz NBQPIDXWJOKQMB-AWEZNQCLSA-N -1 0 294.307 2.020 20 5 CEBDRM O=C(CC[C@@H]1CCOC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166164526 367319626 /nfs/dbraw/zinc/31/96/26/367319626.db2.gz QVLGIYLOOJDFKF-SECBINFHSA-N -1 0 280.280 2.056 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609230 203035192 /nfs/dbraw/zinc/03/51/92/203035192.db2.gz NOQMVINCVKDKKF-SNVBAGLBSA-N -1 0 280.324 2.300 20 5 CEBDRM CS(=O)(=O)[N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000192735559 369847630 /nfs/dbraw/zinc/84/76/30/369847630.db2.gz FOKMWYXVRIDNRQ-UHFFFAOYSA-N -1 0 299.333 2.090 20 5 CEBDRM CC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000233987862 370527752 /nfs/dbraw/zinc/52/77/52/370527752.db2.gz MDJMJWWQWADOBC-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CC1(C)C ZINC000331910510 204284722 /nfs/dbraw/zinc/28/47/22/204284722.db2.gz CXEZLGVVTOUZHF-SNVBAGLBSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331928425 204304901 /nfs/dbraw/zinc/30/49/01/204304901.db2.gz DMOROLFRZAITLE-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([N-]N1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272316757 373426479 /nfs/dbraw/zinc/42/64/79/373426479.db2.gz JDTBLLGWCCKBOE-UHFFFAOYSA-N -1 0 299.277 2.204 20 5 CEBDRM CCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCOCC1 ZINC000272379042 373456714 /nfs/dbraw/zinc/45/67/14/373456714.db2.gz VUMQCKTUDUFBKT-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCO3)no2)cc1[O-] ZINC000277824761 193770812 /nfs/dbraw/zinc/77/08/12/193770812.db2.gz HWVVTGATUZJNEA-JTQLQIEISA-N -1 0 277.236 2.202 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc([C@H]3CCCO3)no2)cc1[O-] ZINC000277824764 374659307 /nfs/dbraw/zinc/65/93/07/374659307.db2.gz HWVVTGATUZJNEA-SNVBAGLBSA-N -1 0 277.236 2.202 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000386848783 375266936 /nfs/dbraw/zinc/26/69/36/375266936.db2.gz AMOILLIFIBQYTE-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(NCC1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280846261 375341329 /nfs/dbraw/zinc/34/13/29/375341329.db2.gz VPQVDMOJLAYBBK-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C([O-])CCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000263238016 190067357 /nfs/dbraw/zinc/06/73/57/190067357.db2.gz BWXYEUQBJAHZLA-UHFFFAOYSA-N -1 0 292.291 2.129 20 5 CEBDRM Cc1c(CN=c2[n-]nc(C(F)F)o2)cccc1[N+](=O)[O-] ZINC000432165524 377725915 /nfs/dbraw/zinc/72/59/15/377725915.db2.gz HZNFZMRYQRRUIE-UHFFFAOYSA-N -1 0 284.222 2.258 20 5 CEBDRM C[C@@H]1CC(Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000567051919 377795690 /nfs/dbraw/zinc/79/56/90/377795690.db2.gz FAIFJLFWAKGMQJ-HTQZYQBOSA-N -1 0 295.295 2.056 20 5 CEBDRM O=C([O-])[C@H](Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000347228552 218163093 /nfs/dbraw/zinc/16/30/93/218163093.db2.gz HQOJITFWLOPBDP-VIFPVBQESA-N -1 0 293.304 2.159 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280755379 296382143 /nfs/dbraw/zinc/38/21/43/296382143.db2.gz LLADVUGMGLELQL-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N(C)CCCC(=O)[O-])c1 ZINC000094658988 184836555 /nfs/dbraw/zinc/83/65/55/184836555.db2.gz ZOXZVWLUZZSMMW-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM C[NH+](C)CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412998858 394456074 /nfs/dbraw/zinc/45/60/74/394456074.db2.gz KQBGCMVSGVHXCK-UHFFFAOYSA-N -1 0 256.327 2.095 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356196479 394558854 /nfs/dbraw/zinc/55/88/54/394558854.db2.gz BTZDCIUCMNXVRZ-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])no1 ZINC000356963047 394664196 /nfs/dbraw/zinc/66/41/96/394664196.db2.gz WWNDLTHWAOOGDP-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(NCCCC1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077027483 394619740 /nfs/dbraw/zinc/61/97/40/394619740.db2.gz AAAJLNNIVPXRQL-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC[C@H](C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000421905902 394635120 /nfs/dbraw/zinc/63/51/20/394635120.db2.gz AMZHTWATEAGBRJ-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000272630417 394776056 /nfs/dbraw/zinc/77/60/56/394776056.db2.gz WRVIBRMOSNBVGO-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM COc1cccc(SCCC(=O)[O-])c1[N+](=O)[O-] ZINC000130652437 394892801 /nfs/dbraw/zinc/89/28/01/394892801.db2.gz SUJMCXDTCJVSOL-UHFFFAOYSA-N -1 0 257.267 2.170 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000416316682 395054331 /nfs/dbraw/zinc/05/43/31/395054331.db2.gz HOFBOJHYFYHQBY-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C([O-])CCCCCNc1ncc([N+](=O)[O-])cc1F ZINC000416426468 395061253 /nfs/dbraw/zinc/06/12/53/395061253.db2.gz MJCKIASDSQGUFD-UHFFFAOYSA-N -1 0 271.248 2.186 20 5 CEBDRM C[C@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000416426689 395061295 /nfs/dbraw/zinc/06/12/95/395061295.db2.gz NKOKSYWGHNXMCY-ZCFIWIBFSA-N -1 0 290.222 2.471 20 5 CEBDRM C[C@H](CO)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436475795 395119926 /nfs/dbraw/zinc/11/99/26/395119926.db2.gz QEHWDPCBWDSOKQ-MRVPVSSYSA-N -1 0 257.311 2.162 20 5 CEBDRM CC[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000094957052 289050863 /nfs/dbraw/zinc/05/08/63/289050863.db2.gz CBXAEFVFZPMDGI-VIFPVBQESA-N -1 0 282.296 2.114 20 5 CEBDRM Cc1ncsc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436888206 395160296 /nfs/dbraw/zinc/16/02/96/395160296.db2.gz MDUWRRYJUSLMST-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC(C)CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181873502 395226532 /nfs/dbraw/zinc/22/65/32/395226532.db2.gz HLBCOLHFFNWOHD-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000399519786 395246747 /nfs/dbraw/zinc/24/67/47/395246747.db2.gz CDXRYORPUKDDAM-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458268848 395640850 /nfs/dbraw/zinc/64/08/50/395640850.db2.gz ZFWPYGWMXYLGOQ-OXHMUOHRSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182101639 296642723 /nfs/dbraw/zinc/64/27/23/296642723.db2.gz FJQPFBXJXBDUOR-RKDXNWHRSA-N -1 0 264.281 2.313 20 5 CEBDRM CC(C)(CCNc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263062338 154011320 /nfs/dbraw/zinc/01/13/20/154011320.db2.gz NBSBRNRCOVVSKT-UHFFFAOYSA-N -1 0 267.285 2.090 20 5 CEBDRM CCCCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362816672 155944708 /nfs/dbraw/zinc/94/47/08/155944708.db2.gz DKCSUTHRJLFNOQ-UHFFFAOYSA-N -1 0 262.269 2.279 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)sn1 ZINC000176431536 165164010 /nfs/dbraw/zinc/16/40/10/165164010.db2.gz GNHVXKLUQNWLGG-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=C([O-])c1ccc(COc2cccnc2[N+](=O)[O-])cc1 ZINC000020302650 171139640 /nfs/dbraw/zinc/13/96/40/171139640.db2.gz ZBKQBWOFQCSWIA-UHFFFAOYSA-N -1 0 274.232 2.267 20 5 CEBDRM CN(CCCC(=O)[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000037330197 173131128 /nfs/dbraw/zinc/13/11/28/173131128.db2.gz JFZLZCMYJXTXKY-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000070525211 175970266 /nfs/dbraw/zinc/97/02/66/175970266.db2.gz AAYZIGQWODOPAH-SFYZADRCSA-N -1 0 298.320 2.030 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458107254 289876732 /nfs/dbraw/zinc/87/67/32/289876732.db2.gz CMWLBHNLFSOLBF-VHSXEESVSA-N -1 0 264.281 2.075 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225798958 270309594 /nfs/dbraw/zinc/30/95/94/270309594.db2.gz GWMOILDSEKDKSY-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1C(F)F ZINC000436698014 271682628 /nfs/dbraw/zinc/68/26/28/271682628.db2.gz MXEQEZFJSSVDEG-MRVPVSSYSA-N -1 0 286.234 2.170 20 5 CEBDRM O=C(NCC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075195718 279672865 /nfs/dbraw/zinc/67/28/65/279672865.db2.gz MTWCBZMEFVFKNU-UHFFFAOYSA-N -1 0 290.319 2.466 20 5 CEBDRM Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000130347180 279934613 /nfs/dbraw/zinc/93/46/13/279934613.db2.gz LSPAWMSEVACVEM-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC(C)COCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130361892 279934796 /nfs/dbraw/zinc/93/47/96/279934796.db2.gz LHGRSDMIOJNIHT-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000136500165 280061485 /nfs/dbraw/zinc/06/14/85/280061485.db2.gz PVBNEJLWYUABTB-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000139741412 280074092 /nfs/dbraw/zinc/07/40/92/280074092.db2.gz AKUKHLWJAUARDN-UHFFFAOYSA-N -1 0 272.260 2.230 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152571984 289093361 /nfs/dbraw/zinc/09/33/61/289093361.db2.gz HEWPCRUCHVQSKO-SNVBAGLBSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)C[C@@H]1C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458000507 289860140 /nfs/dbraw/zinc/86/01/40/289860140.db2.gz XZVMRKRHFQNMKO-GHMZBOCLSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C([O-])c1cnc(NC[C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000326932484 297498626 /nfs/dbraw/zinc/49/86/26/297498626.db2.gz VGUATMRQTYVTCJ-QMMMGPOBSA-N -1 0 297.336 2.243 20 5 CEBDRM O=C(NCCCF)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000516184304 297588812 /nfs/dbraw/zinc/58/88/12/297588812.db2.gz NVERQNVXFOXBHZ-UHFFFAOYSA-N -1 0 276.651 2.043 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000416317753 297703002 /nfs/dbraw/zinc/70/30/02/297703002.db2.gz DPYIUFNIHDWOEX-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000416325068 297703115 /nfs/dbraw/zinc/70/31/15/297703115.db2.gz RZVTVEBSGQVTSG-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000191931513 299957516 /nfs/dbraw/zinc/95/75/16/299957516.db2.gz UTLYTWOTMNTEMI-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC(=O)[O-])C(C)C ZINC000044747697 301430549 /nfs/dbraw/zinc/43/05/49/301430549.db2.gz MGXNCWICBNIZHM-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CC[C@@H](F)C3)[n-]2)cc1 ZINC000340874985 304801917 /nfs/dbraw/zinc/80/19/17/304801917.db2.gz LCLXGZKKUKUTAH-ZJUUUORDSA-N -1 0 292.270 2.369 20 5 CEBDRM Cc1cc(N[C@H]2C[C@H](O)C2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563209570 313723377 /nfs/dbraw/zinc/72/33/77/313723377.db2.gz KRRUQLZHQKUNEJ-RYUDHWBXSA-N -1 0 294.307 2.173 20 5 CEBDRM CC(C)C[C@H](CO)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565034959 313791079 /nfs/dbraw/zinc/79/10/79/313791079.db2.gz JHMHRNSYZIQTNC-LLVKDONJSA-N -1 0 296.323 2.136 20 5 CEBDRM Cc1cc(N2CCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573495829 314162407 /nfs/dbraw/zinc/16/24/07/314162407.db2.gz ZHZBCGXUQAGRKO-UHFFFAOYSA-N -1 0 250.254 2.202 20 5 CEBDRM Cc1cc(N[C@H]2C[C@H](O)C2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577066783 314338315 /nfs/dbraw/zinc/33/83/15/314338315.db2.gz NMTDOBHKETVEFH-QWRGUYRKSA-N -1 0 294.307 2.173 20 5 CEBDRM CC(F)(F)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000379170686 321825051 /nfs/dbraw/zinc/82/50/51/321825051.db2.gz KUZSNDRIQTVXGE-UHFFFAOYSA-N -1 0 275.211 2.145 20 5 CEBDRM C[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000379470842 321825710 /nfs/dbraw/zinc/82/57/10/321825710.db2.gz QELCFFAQSLNZHM-MRVPVSSYSA-N -1 0 297.336 2.020 20 5 CEBDRM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000385615957 321861113 /nfs/dbraw/zinc/86/11/13/321861113.db2.gz CYTYEOYNGAHKHY-BXKDBHETSA-N -1 0 278.308 2.465 20 5 CEBDRM COC1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCCC1 ZINC000386823212 321874504 /nfs/dbraw/zinc/87/45/04/321874504.db2.gz QPXXDOSOOQJKSV-UHFFFAOYSA-N -1 0 295.295 2.059 20 5 CEBDRM CC(C)CN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211980086 326867019 /nfs/dbraw/zinc/86/70/19/326867019.db2.gz RZBWPXRUZMDCKG-UHFFFAOYSA-N -1 0 252.270 2.385 20 5 CEBDRM CCO[C@@H](CC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000584148866 327049766 /nfs/dbraw/zinc/04/97/66/327049766.db2.gz PSJSAACCBORUAP-NSHDSACASA-N -1 0 268.269 2.054 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000584243311 327126585 /nfs/dbraw/zinc/12/65/85/327126585.db2.gz WVCMWGRVSHRNPY-RKDXNWHRSA-N -1 0 292.291 2.021 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CCCC(=O)[O-] ZINC000416421458 527337976 /nfs/dbraw/zinc/33/79/76/527337976.db2.gz CJKOSTWKRNNLQN-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157554190 527961497 /nfs/dbraw/zinc/96/14/97/527961497.db2.gz OATCRWSUXBOWJY-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CC(C)COCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194743637 528093937 /nfs/dbraw/zinc/09/39/37/528093937.db2.gz LSLXAXDCYSOUGU-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM Cc1c[nH]cc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738304673 574429537 /nfs/dbraw/zinc/42/95/37/574429537.db2.gz AAHYBOUVBDSWLY-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM O=C([O-])N1CCC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000739927405 574432495 /nfs/dbraw/zinc/43/24/95/574432495.db2.gz HAFUNIXBPHCIHV-ZETCQYMHSA-N -1 0 271.298 2.211 20 5 CEBDRM Cc1ccnc(N[C@H]2CCCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740194134 574444205 /nfs/dbraw/zinc/44/42/05/574444205.db2.gz AMHFDKIGFJTXOV-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])CCCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000738580140 574481520 /nfs/dbraw/zinc/48/15/20/574481520.db2.gz IGXHWFXYSBTBHU-UHFFFAOYSA-N -1 0 292.247 2.098 20 5 CEBDRM O=C(NC12CCC(CC1)C2)c1cccc([N+](=O)[O-])c1[O-] ZINC000753137308 574482489 /nfs/dbraw/zinc/48/24/89/574482489.db2.gz XLLSTTNBCLORIP-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000738792039 574725546 /nfs/dbraw/zinc/72/55/46/574725546.db2.gz YUBOREQYABPOLU-NSHDSACASA-N -1 0 285.275 2.438 20 5 CEBDRM CC[C@H](C)CN(C)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736323080 574782776 /nfs/dbraw/zinc/78/27/76/574782776.db2.gz TYLJWPKVZNONAZ-VIFPVBQESA-N -1 0 290.327 2.257 20 5 CEBDRM CC(C)C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000736428935 574787849 /nfs/dbraw/zinc/78/78/49/574787849.db2.gz YNJQSJJUSPFDFE-LBPRGKRZSA-N -1 0 295.291 2.180 20 5 CEBDRM O=C(Oc1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000739209270 574899727 /nfs/dbraw/zinc/89/97/27/574899727.db2.gz SCAODPMTTXJUQS-UHFFFAOYSA-N -1 0 298.258 2.328 20 5 CEBDRM CN(C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC000739664451 574930114 /nfs/dbraw/zinc/93/01/14/574930114.db2.gz QKXPAHCXCXYXNE-SNVBAGLBSA-N -1 0 279.296 2.031 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCCN(C(=O)[O-])CC1 ZINC000740174860 574946652 /nfs/dbraw/zinc/94/66/52/574946652.db2.gz MRILLNGGPIXUHR-UHFFFAOYSA-N -1 0 279.296 2.093 20 5 CEBDRM CC1(C)[C@@H]2OCCC[C@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000744183040 575116228 /nfs/dbraw/zinc/11/62/28/575116228.db2.gz JBFYQJHKLIGSOI-FXAINCCUSA-N -1 0 294.307 2.283 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000817842147 597363817 /nfs/dbraw/zinc/36/38/17/597363817.db2.gz VBDYCGPNIGFJSC-UHFFFAOYSA-N -1 0 292.295 2.298 20 5 CEBDRM O=C([O-])CCC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000211307655 599746654 /nfs/dbraw/zinc/74/66/54/599746654.db2.gz PYMBXQIRWFJZIJ-UHFFFAOYSA-N -1 0 272.644 2.052 20 5 CEBDRM CCC(C)(C)CCn1cc(C(=O)[O-])cc([N+](=O)[O-])c1=O ZINC000828609043 600837089 /nfs/dbraw/zinc/83/70/89/600837089.db2.gz KRUUGSMXZAAZEC-UHFFFAOYSA-N -1 0 282.296 2.281 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000119543869 601470682 /nfs/dbraw/zinc/47/06/82/601470682.db2.gz FGZXYBXRJFNWGK-LLVKDONJSA-N -1 0 286.309 2.030 20 5 CEBDRM C[C@H](CCCO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827412644 601564929 /nfs/dbraw/zinc/56/49/29/601564929.db2.gz NEARNOHPMGCASA-ONRRBMGISA-N -1 0 294.307 2.266 20 5 CEBDRM CC(C)(CNc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000137486474 601681373 /nfs/dbraw/zinc/68/13/73/601681373.db2.gz BZXHHIQBPVNGRI-UHFFFAOYSA-N -1 0 256.233 2.257 20 5 CEBDRM COCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000831756932 602249456 /nfs/dbraw/zinc/24/94/56/602249456.db2.gz DUIPLRADICVAJK-UHFFFAOYSA-N -1 0 274.660 2.005 20 5 CEBDRM Cc1cc(N[C@@H](CCO)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896621 602319543 /nfs/dbraw/zinc/31/95/43/602319543.db2.gz DRRBRBBHFVSLEQ-LBPRGKRZSA-N -1 0 294.307 2.174 20 5 CEBDRM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739057872 603357378 /nfs/dbraw/zinc/35/73/78/603357378.db2.gz JPPQSDRPGBJBGJ-WDEREUQCSA-N -1 0 293.323 2.340 20 5 CEBDRM C[C@@H](CNC(=O)[O-])N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000824967907 603892115 /nfs/dbraw/zinc/89/21/15/603892115.db2.gz XCRFAPMNGOVXKN-ZETCQYMHSA-N -1 0 287.703 2.341 20 5 CEBDRM O=C([O-])NC1(CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000832216503 604057644 /nfs/dbraw/zinc/05/76/44/604057644.db2.gz WZBJUVYKDPBGFQ-UHFFFAOYSA-N -1 0 293.279 2.114 20 5 CEBDRM CC(C)[C@H](CCN(C)c1ccc([N+](=O)[O-])cn1)NC(=O)[O-] ZINC000824104792 604223855 /nfs/dbraw/zinc/22/38/55/604223855.db2.gz HUAGTFZZJAQLRC-NSHDSACASA-N -1 0 296.327 2.108 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])o2)n1 ZINC000162708227 604266584 /nfs/dbraw/zinc/26/65/84/604266584.db2.gz YWAQUVADQVOLPS-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM Cc1ccc(N2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000042162316 604469748 /nfs/dbraw/zinc/46/97/48/604469748.db2.gz DWHIIUVPBMWPNB-JTQLQIEISA-N -1 0 264.281 2.347 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cccc([N+](=O)[O-])c2)O1 ZINC000833577892 604884863 /nfs/dbraw/zinc/88/48/63/604884863.db2.gz JCSAKEACJBNFPN-NSHDSACASA-N -1 0 279.248 2.121 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(C)cc2[N+](=O)[O-])O1 ZINC000833580090 604887156 /nfs/dbraw/zinc/88/71/56/604887156.db2.gz PFZVJFQZPDRACN-SNVBAGLBSA-N -1 0 293.275 2.430 20 5 CEBDRM COc1cc(N[C@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000829196901 605625571 /nfs/dbraw/zinc/62/55/71/605625571.db2.gz CSVULBGNXRIQAZ-JTQLQIEISA-N -1 0 295.295 2.158 20 5 CEBDRM CCOc1cc(NCCCN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861848 605719945 /nfs/dbraw/zinc/71/99/45/605719945.db2.gz ONPDBKBLOGRSRA-UHFFFAOYSA-N -1 0 297.311 2.405 20 5 CEBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000834096962 605947945 /nfs/dbraw/zinc/94/79/45/605947945.db2.gz KHWNPISFQOLALD-MNOVXSKESA-N -1 0 291.307 2.316 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000834110648 605991896 /nfs/dbraw/zinc/99/18/96/605991896.db2.gz ZVJATCSMMCCRPQ-SSDOTTSWSA-N -1 0 271.298 2.211 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]1C(F)F ZINC000895431044 630181228 /nfs/dbraw/zinc/18/12/28/630181228.db2.gz JXJTTZFTWNICJV-SNVBAGLBSA-N -1 0 258.224 2.140 20 5 CEBDRM O=C(O[C@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000800426850 631122227 /nfs/dbraw/zinc/12/22/27/631122227.db2.gz ZWWKLMIFOPXNTQ-NSHDSACASA-N -1 0 294.307 2.429 20 5 CEBDRM C[C@H](CC1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000803017596 631503661 /nfs/dbraw/zinc/50/36/61/631503661.db2.gz ISIDIORWKHRUKI-SECBINFHSA-N -1 0 282.296 2.285 20 5 CEBDRM CO[C@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000899349510 632799738 /nfs/dbraw/zinc/79/97/38/632799738.db2.gz DNSFYEZXRGUJPS-SSDOTTSWSA-N -1 0 297.698 2.376 20 5 CEBDRM Cc1cc(NCC2(O)CCCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844206809 640632078 /nfs/dbraw/zinc/63/20/78/640632078.db2.gz UOBWXOVRUULIOE-UHFFFAOYSA-N -1 0 294.307 2.318 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000844930517 640869122 /nfs/dbraw/zinc/86/91/22/640869122.db2.gz OCBSNRJCMIJZPU-SNVBAGLBSA-N -1 0 280.280 2.097 20 5 CEBDRM O=C([O-])C1=CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000863479058 646737926 /nfs/dbraw/zinc/73/79/26/646737926.db2.gz VWHAEPCBVMDTIC-SSDOTTSWSA-N -1 0 254.267 2.242 20 5 CEBDRM O=C(OCc1csc(Cl)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000793235071 648727774 /nfs/dbraw/zinc/72/77/74/648727774.db2.gz BHMYNJZYKKVNQN-UHFFFAOYSA-N -1 0 287.684 2.390 20 5 CEBDRM CC(=O)[C@H](C)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228859677 806353162 /nfs/dbraw/zinc/35/31/62/806353162.db2.gz NGPHTAWGRYOTST-YFKPBYRVSA-N -1 0 294.185 2.071 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000693516552 803018800 /nfs/dbraw/zinc/01/88/00/803018800.db2.gz XTNCKYGWFLLSLH-SKDRFNHKSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cccc(N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c1[N+](=O)[O-] ZINC000721241622 807015948 /nfs/dbraw/zinc/01/59/48/807015948.db2.gz GBPBTSDMECBZCB-UMNHJUIQSA-N -1 0 276.292 2.060 20 5 CEBDRM O=C([O-])CO[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001225023896 807116772 /nfs/dbraw/zinc/11/67/72/807116772.db2.gz QZRUJGMDCDLJDX-SECBINFHSA-N -1 0 279.170 2.299 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711541301 810082884 /nfs/dbraw/zinc/08/28/84/810082884.db2.gz JCGCEWWLHSCVOO-AOOOYVTPSA-N -1 0 294.332 2.092 20 5 CEBDRM O=C(NC[C@]12C[C@H]1CCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000822101266 810578990 /nfs/dbraw/zinc/57/89/90/810578990.db2.gz GWZSEWUTRCTSNQ-OTYXRUKQSA-N -1 0 276.292 2.220 20 5 CEBDRM C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C1CCC1 ZINC001231069625 810585380 /nfs/dbraw/zinc/58/53/80/810585380.db2.gz BKGPIXIGEBZMIT-RXMQYKEDSA-N -1 0 273.676 2.311 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnc3cccnn32)cc1[N+](=O)[O-] ZINC001174503810 816030099 /nfs/dbraw/zinc/03/00/99/816030099.db2.gz YXMHQSFALVREKA-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM Nc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1O ZINC001176680340 816454068 /nfs/dbraw/zinc/45/40/68/816454068.db2.gz ZIYFADPEWFEXEF-UHFFFAOYSA-N -1 0 289.247 2.324 20 5 CEBDRM Nc1cn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cccnc12 ZINC001176673382 816454111 /nfs/dbraw/zinc/45/41/11/816454111.db2.gz XXFUROUNUIMVCM-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C([O-])c1cc(Nc2cnn3cccnc23)cc([N+](=O)[O-])c1 ZINC001176674218 816454114 /nfs/dbraw/zinc/45/41/14/816454114.db2.gz HOIXMVKSZZXFNP-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM O=C([O-])c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000037587440 361906065 /nfs/dbraw/zinc/90/60/65/361906065.db2.gz ZHALGKBIMNPKPM-UHFFFAOYSA-N -1 0 293.210 2.013 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000601936212 346932442 /nfs/dbraw/zinc/93/24/42/346932442.db2.gz QPRRIOLBDFRFPT-GFCCVEGCSA-N -1 0 289.291 2.031 20 5 CEBDRM O=C([O-])CC[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000043584874 343465242 /nfs/dbraw/zinc/46/52/42/343465242.db2.gz UQIBNWFOJVVEER-SNVBAGLBSA-N -1 0 279.296 2.071 20 5 CEBDRM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000567980797 299104020 /nfs/dbraw/zinc/10/40/20/299104020.db2.gz NGQLOMGVTHXYID-GXSJLCMTSA-N -1 0 294.307 2.297 20 5 CEBDRM Cc1cnc(N2CCC[C@@H](CCC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000090691694 344142959 /nfs/dbraw/zinc/14/29/59/344142959.db2.gz YHHJMVBPUZPHRF-NSHDSACASA-N -1 0 293.323 2.379 20 5 CEBDRM CCN(Cc1cnn(C)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092437579 344188536 /nfs/dbraw/zinc/18/85/36/344188536.db2.gz AYDBEVRDECBFQK-UHFFFAOYSA-N -1 0 290.323 2.056 20 5 CEBDRM COCCCn1ccc([N-]c2nc(C)ccc2[N+](=O)[O-])n1 ZINC000127212102 187289702 /nfs/dbraw/zinc/28/97/02/187289702.db2.gz QCQYXCZWRHCDBM-UHFFFAOYSA-N -1 0 291.311 2.275 20 5 CEBDRM COc1cc(NC[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000147523502 344412383 /nfs/dbraw/zinc/41/23/83/344412383.db2.gz ZPCKFDNPQOYBSU-MRVPVSSYSA-N -1 0 268.269 2.126 20 5 CEBDRM O=C([O-])c1cnc(NC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000162389306 344467326 /nfs/dbraw/zinc/46/73/26/344467326.db2.gz UYQUZSGAIVMCRU-UHFFFAOYSA-N -1 0 277.280 2.289 20 5 CEBDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000163891858 344471363 /nfs/dbraw/zinc/47/13/63/344471363.db2.gz MQLALQMNHXCFBC-JTQLQIEISA-N -1 0 280.280 2.280 20 5 CEBDRM CN(CC(C)(C)C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166737637 344476924 /nfs/dbraw/zinc/47/69/24/344476924.db2.gz NUBKCLSRBTWSEK-UHFFFAOYSA-N -1 0 267.285 2.170 20 5 CEBDRM Cc1cccc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1[N+](=O)[O-] ZINC000235644755 344592357 /nfs/dbraw/zinc/59/23/57/344592357.db2.gz CYIVOECTSGZREI-VHSXEESVSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000312478763 344738838 /nfs/dbraw/zinc/73/88/38/344738838.db2.gz AATCYUUOWMHPKK-ZETCQYMHSA-N -1 0 286.234 2.218 20 5 CEBDRM CCCC[C@@H](Sc1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-] ZINC000584791225 344988576 /nfs/dbraw/zinc/98/85/76/344988576.db2.gz BVECDKSFQWJYQZ-MRVPVSSYSA-N -1 0 287.341 2.372 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCCCCC(=O)[O-] ZINC000591326733 345240662 /nfs/dbraw/zinc/24/06/62/345240662.db2.gz NIHJNGXKHVWJBO-UHFFFAOYSA-N -1 0 282.296 2.408 20 5 CEBDRM C[C@H](CCO)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000591128507 345223180 /nfs/dbraw/zinc/22/31/80/345223180.db2.gz CAHKHSYQULWEGO-MRVPVSSYSA-N -1 0 257.311 2.305 20 5 CEBDRM Cc1cc(NC[C@@H]2CC[C@H](O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592975612 345417638 /nfs/dbraw/zinc/41/76/38/345417638.db2.gz UZBMVNZMEJMYJA-ZJUUUORDSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000592981068 345418630 /nfs/dbraw/zinc/41/86/30/345418630.db2.gz GAYCSCJAGHHAFS-QMTHXVAHSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1csnn1 ZINC000593034615 345426431 /nfs/dbraw/zinc/42/64/31/345426431.db2.gz NNJGBCMJVMZPLS-SSDOTTSWSA-N -1 0 280.309 2.003 20 5 CEBDRM Cc1noc(CSCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000593187922 345451336 /nfs/dbraw/zinc/45/13/36/345451336.db2.gz RYFDRIIUJHXZRA-UHFFFAOYSA-N -1 0 281.293 2.425 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000593881294 345547528 /nfs/dbraw/zinc/54/75/28/345547528.db2.gz FWJCRZUCVXOWDZ-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CCC(CC)(C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593924342 345552888 /nfs/dbraw/zinc/55/28/88/345552888.db2.gz MJLZZBSPANRSLL-UHFFFAOYSA-N -1 0 280.280 2.424 20 5 CEBDRM COCC1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593946307 345554802 /nfs/dbraw/zinc/55/48/02/345554802.db2.gz CQJCSSGVSKDQEN-UHFFFAOYSA-N -1 0 280.280 2.132 20 5 CEBDRM CC(C)(F)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594736547 345682173 /nfs/dbraw/zinc/68/21/73/345682173.db2.gz RKZKEYYEBHZZQR-UHFFFAOYSA-N -1 0 271.248 2.238 20 5 CEBDRM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000059881316 362653532 /nfs/dbraw/zinc/65/35/32/362653532.db2.gz QFTFIPRCEBALAH-UHFFFAOYSA-N -1 0 294.307 2.086 20 5 CEBDRM Cc1cc(N2CC[C@@H]3C[C@@H]3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000595277452 345753228 /nfs/dbraw/zinc/75/32/28/345753228.db2.gz JRJDTPRZNARIKV-NXEZZACHSA-N -1 0 276.292 2.448 20 5 CEBDRM Cc1cc(N2CC[C@@H]3C[C@@H]3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000595277363 345753278 /nfs/dbraw/zinc/75/32/78/345753278.db2.gz DLGYNQCQGWROOI-NXEZZACHSA-N -1 0 276.292 2.448 20 5 CEBDRM O=C([O-])CC[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000595975212 345919523 /nfs/dbraw/zinc/91/95/23/345919523.db2.gz NLHAWTSIPSVDRR-SECBINFHSA-N -1 0 297.286 2.210 20 5 CEBDRM C[C@H](O)CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000596411016 346017237 /nfs/dbraw/zinc/01/72/37/346017237.db2.gz ZIGBBOCYBHUFRI-QMMMGPOBSA-N -1 0 257.311 2.305 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000597159518 346138884 /nfs/dbraw/zinc/13/88/84/346138884.db2.gz MWZGKUDNBGQPPE-BDAKNGLRSA-N -1 0 292.291 2.164 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598210392 346306006 /nfs/dbraw/zinc/30/60/06/346306006.db2.gz WXJDZPNMJCHHAR-JBLDHEPKSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000598330557 346328478 /nfs/dbraw/zinc/32/84/78/346328478.db2.gz NLDSYEIBACLKAA-HTQZYQBOSA-N -1 0 296.710 2.436 20 5 CEBDRM CC(C)(F)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600942567 346713779 /nfs/dbraw/zinc/71/37/79/346713779.db2.gz FEWSVQKSAIYURU-UHFFFAOYSA-N -1 0 256.233 2.453 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]c(C2CC2)n1 ZINC000356300952 370649078 /nfs/dbraw/zinc/64/90/78/370649078.db2.gz XLWZYSUWYWKZMW-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM O=C(NC[C@H]1Cc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555217 347793958 /nfs/dbraw/zinc/79/39/58/347793958.db2.gz RWBXOQNSLFYRIP-GFCCVEGCSA-N -1 0 298.298 2.370 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1F ZINC000611508272 347788045 /nfs/dbraw/zinc/78/80/45/347788045.db2.gz HJEHEEJHRLACRY-WPRPVWTQSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C([O-])[C@H]1CCCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086814272 179342732 /nfs/dbraw/zinc/34/27/32/179342732.db2.gz DKQYYJLNSIJJKX-SNVBAGLBSA-N -1 0 284.337 2.486 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000613906746 348122056 /nfs/dbraw/zinc/12/20/56/348122056.db2.gz UCHVGBHCDKYLLC-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)[O-] ZINC000086854153 179359992 /nfs/dbraw/zinc/35/99/92/179359992.db2.gz IYAFIFXBNZDTDA-UHFFFAOYSA-N -1 0 290.069 2.129 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000104202825 185928615 /nfs/dbraw/zinc/92/86/15/185928615.db2.gz YLTCPVLWRLEVQT-CBAPKCEASA-N -1 0 284.699 2.405 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000339790439 215339615 /nfs/dbraw/zinc/33/96/15/215339615.db2.gz CEDBBLODNHTJLO-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000339790542 215340304 /nfs/dbraw/zinc/34/03/04/215340304.db2.gz CEDBBLODNHTJLO-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C([O-])c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000132596142 366156847 /nfs/dbraw/zinc/15/68/47/366156847.db2.gz ARWIQFCXBPEZLW-UHFFFAOYSA-N -1 0 276.204 2.138 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000452209562 283221429 /nfs/dbraw/zinc/22/14/29/283221429.db2.gz SJRDDCNERFMEOK-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM Cc1cc(N[C@@H](C)CCCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570573247 299265903 /nfs/dbraw/zinc/26/59/03/299265903.db2.gz OCXFRUFDQWZACM-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM O=C(CCc1cscn1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531114 363977707 /nfs/dbraw/zinc/97/77/07/363977707.db2.gz AJPQUIKOUMWOSA-UHFFFAOYSA-N -1 0 293.304 2.328 20 5 CEBDRM C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546133 364081278 /nfs/dbraw/zinc/08/12/78/364081278.db2.gz MJAARZQBLDPNQZ-KCJUWKMLSA-N -1 0 292.291 2.244 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237571207 370733551 /nfs/dbraw/zinc/73/35/51/370733551.db2.gz CJGHOIFSIIEPRR-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356561525 370756211 /nfs/dbraw/zinc/75/62/11/370756211.db2.gz CTFPPCUZNJQTKV-PELKAZGASA-N -1 0 282.296 2.300 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164094293 367277488 /nfs/dbraw/zinc/27/74/88/367277488.db2.gz MCGIDNRQOSOYOS-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000166874278 367330426 /nfs/dbraw/zinc/33/04/26/367330426.db2.gz NUNDPVOTNHEZGT-BDAKNGLRSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1C(F)F ZINC000343383579 367783469 /nfs/dbraw/zinc/78/34/69/367783469.db2.gz ZHSDVYWVQCARIJ-JTQLQIEISA-N -1 0 286.234 2.170 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3C[C@@H]3C(F)F)[n-]2)cc1 ZINC000343809287 368016047 /nfs/dbraw/zinc/01/60/47/368016047.db2.gz NPKNEKGENBVABY-DTWKUNHWSA-N -1 0 296.233 2.132 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC2(CCC2)C1 ZINC000182103093 368524537 /nfs/dbraw/zinc/52/45/37/368524537.db2.gz LBRBQDTZGHAJTQ-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(Nc1cccc2[nH]cnc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186691700 369021011 /nfs/dbraw/zinc/02/10/11/369021011.db2.gz ZQVXOQZJPWTXRK-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC(C)c1noc(=NCc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000349159847 369255759 /nfs/dbraw/zinc/25/57/59/369255759.db2.gz NUJOTFFRHYHCNJ-UHFFFAOYSA-N -1 0 280.259 2.274 20 5 CEBDRM C[N@H+](CCCn1ccnc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349381625 369315096 /nfs/dbraw/zinc/31/50/96/369315096.db2.gz HVDIQEHVQVJHSK-UHFFFAOYSA-N -1 0 290.323 2.019 20 5 CEBDRM C[C@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C[C@H]2CC[C@@H]1O2 ZINC000191275209 369696987 /nfs/dbraw/zinc/69/69/87/369696987.db2.gz PHIFRRKHAGRFJF-LQJRIPTKSA-N -1 0 292.291 2.197 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226564390 370345798 /nfs/dbraw/zinc/34/57/98/370345798.db2.gz KPJNBVYOWGWCCI-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM Cc1cccc(N(C)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000235106455 370556986 /nfs/dbraw/zinc/55/69/86/370556986.db2.gz PSLCRFOYZXMLTQ-VIFPVBQESA-N -1 0 252.270 2.060 20 5 CEBDRM C[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235263294 370559459 /nfs/dbraw/zinc/55/94/59/370559459.db2.gz IKSDWZQYZPUXFM-KCJUWKMLSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC000355545215 370595278 /nfs/dbraw/zinc/59/52/78/370595278.db2.gz LJARRZYENUQKMD-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CCCN(CC(=O)[O-])C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000236938287 189853898 /nfs/dbraw/zinc/85/38/98/189853898.db2.gz UNWAHOWYNJTVCP-UHFFFAOYSA-N -1 0 294.307 2.094 20 5 CEBDRM COC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000573374911 299437528 /nfs/dbraw/zinc/43/75/28/299437528.db2.gz CMZRVKWYCCMACI-UHFFFAOYSA-N -1 0 282.296 2.438 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1C1CC1 ZINC000377541082 374878281 /nfs/dbraw/zinc/87/82/81/374878281.db2.gz CETYIOWJUUDCKS-NSHDSACASA-N -1 0 276.292 2.315 20 5 CEBDRM O=C([O-])c1cc(N[C@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000386129709 375253694 /nfs/dbraw/zinc/25/36/94/375253694.db2.gz OBAJNIILLDOOAN-GFCCVEGCSA-N -1 0 294.307 2.256 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCCOCC2)c1 ZINC000383765440 375205010 /nfs/dbraw/zinc/20/50/10/375205010.db2.gz MHKPNAZTJSAGID-SNVBAGLBSA-N -1 0 280.280 2.274 20 5 CEBDRM CC1=CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000280833789 375338474 /nfs/dbraw/zinc/33/84/74/375338474.db2.gz XFSPNAMVQUMMCN-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CC[C@@]1(C)CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000399438583 375364104 /nfs/dbraw/zinc/36/41/04/375364104.db2.gz SHHQIMCBJLKNFU-ZDUSSCGKSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@H]1[C@@H](C)N(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000399734690 375366538 /nfs/dbraw/zinc/36/65/38/375366538.db2.gz LNLGMNUDBVWOLE-IWSPIJDZSA-N -1 0 279.296 2.169 20 5 CEBDRM CC1(C)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408160765 375420303 /nfs/dbraw/zinc/42/03/03/375420303.db2.gz XLYYGLPQYJAHRJ-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CCC[C@@H]1C[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262648528 190059707 /nfs/dbraw/zinc/05/97/07/190059707.db2.gz TWPGYOVZPSWWCZ-PRHODGIISA-N -1 0 292.291 2.211 20 5 CEBDRM CC(C)CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262653566 190059797 /nfs/dbraw/zinc/05/97/97/190059797.db2.gz SHJUVCRDGGTVJP-UHFFFAOYSA-N -1 0 280.280 2.021 20 5 CEBDRM O=C(NCCc1cccs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427681697 377436829 /nfs/dbraw/zinc/43/68/29/377436829.db2.gz DUIGLURRRNHPHX-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM O=C(N[C@@H]1CC12CC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565024178 377534236 /nfs/dbraw/zinc/53/42/36/377534236.db2.gz HJQRKEGWNOZMGP-SECBINFHSA-N -1 0 282.683 2.236 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293673789 377691226 /nfs/dbraw/zinc/69/12/26/377691226.db2.gz OAWQCXDZNKIPJN-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(C2CCC2)C1 ZINC000436865281 377834575 /nfs/dbraw/zinc/83/45/75/377834575.db2.gz QUMDQFJHLVPJHX-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CC(C)c1n[n-]c(=NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000450413030 378403194 /nfs/dbraw/zinc/40/31/94/378403194.db2.gz SJLZFAPJAYVNRR-UHFFFAOYSA-N -1 0 276.296 2.178 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000457346209 379756865 /nfs/dbraw/zinc/75/68/65/379756865.db2.gz TXWAYIVZXVTKSX-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000457345369 379757575 /nfs/dbraw/zinc/75/75/75/379757575.db2.gz RERYPFXWILASHL-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(NCCCC1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548454508 380520183 /nfs/dbraw/zinc/52/01/83/380520183.db2.gz IZTGFCUMAIXPEE-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C(/C=C/C1CCOCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492384762 380535739 /nfs/dbraw/zinc/53/57/39/380535739.db2.gz PUAMGPOHQGWERY-DAFODLJHSA-N -1 0 292.291 2.222 20 5 CEBDRM CO[C@@H]1CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000575049223 299552869 /nfs/dbraw/zinc/55/28/69/299552869.db2.gz XTEHKJGEZRDUAX-WDEREUQCSA-N -1 0 294.307 2.201 20 5 CEBDRM CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000094703369 184843983 /nfs/dbraw/zinc/84/39/83/184843983.db2.gz AAZSVVGCRVSRHA-SECBINFHSA-N -1 0 267.285 2.149 20 5 CEBDRM CC[C@@H](C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000421910160 394636692 /nfs/dbraw/zinc/63/66/92/394636692.db2.gz HTALJKXVKIIHKX-MRVPVSSYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130366159 394886595 /nfs/dbraw/zinc/88/65/95/394886595.db2.gz BSVPHWSFWJFWPN-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436804240 395154339 /nfs/dbraw/zinc/15/43/39/395154339.db2.gz OSSUWFYLTNZPRA-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436946026 395166734 /nfs/dbraw/zinc/16/67/34/395166734.db2.gz BTPWHLCEPQHMKR-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000436955062 395167199 /nfs/dbraw/zinc/16/71/99/395167199.db2.gz CTKZMXJVGHOFBZ-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968173 395168171 /nfs/dbraw/zinc/16/81/71/395168171.db2.gz STSNILJHIFKZDB-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(Nc1ccc(F)cc1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436971799 395168590 /nfs/dbraw/zinc/16/85/90/395168590.db2.gz LALPELLUUNHGCJ-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC(C)[C@@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958762 395168746 /nfs/dbraw/zinc/16/87/46/395168746.db2.gz KHOAVFLBMSLQKC-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CCC[C@H]3F)[n-]2)cc1 ZINC000338844076 304801888 /nfs/dbraw/zinc/80/18/88/304801888.db2.gz PNWYCTJJHFUDDW-MNOVXSKESA-N -1 0 292.270 2.369 20 5 CEBDRM Cc1noc([C@H](C)N(C)Cc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000565783054 395484076 /nfs/dbraw/zinc/48/40/76/395484076.db2.gz KVTSMBFRSGYSAK-QMMMGPOBSA-N -1 0 292.295 2.185 20 5 CEBDRM O=C(NCC1CCSCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316554 153298295 /nfs/dbraw/zinc/29/82/95/153298295.db2.gz QKQJMENSYBMQGT-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000230176940 153383821 /nfs/dbraw/zinc/38/38/21/153383821.db2.gz BEYNFJUNRCZFJZ-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@H](CN(C)c1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000263553397 154124592 /nfs/dbraw/zinc/12/45/92/154124592.db2.gz MPGIDTKHEJEWBF-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccon2)c1C ZINC000175643460 165141577 /nfs/dbraw/zinc/14/15/77/165141577.db2.gz RPBRDOVPEWNBKM-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM Cc1c(NC(=O)CCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000008907424 170358535 /nfs/dbraw/zinc/35/85/35/170358535.db2.gz RIFHNEFHSOXCCM-UHFFFAOYSA-N -1 0 266.253 2.097 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000019282212 170772263 /nfs/dbraw/zinc/77/22/63/170772263.db2.gz JKTMZQKPGFUFOU-UFBFGSQYSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000019385510 170778894 /nfs/dbraw/zinc/77/88/94/170778894.db2.gz ORZRFRFTDPWQGT-UHFFFAOYSA-N -1 0 259.645 2.492 20 5 CEBDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000029010491 171583490 /nfs/dbraw/zinc/58/34/90/171583490.db2.gz VMWIJFDECBQFOP-UHFFFAOYSA-N -1 0 280.280 2.424 20 5 CEBDRM CN(Cc1ccncc1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000035207376 172052294 /nfs/dbraw/zinc/05/22/94/172052294.db2.gz NOZYTOSUYRIQNQ-UHFFFAOYSA-N -1 0 287.275 2.324 20 5 CEBDRM CN(CCCC(=O)[O-])c1ccc([N+](=O)[O-])c2cccnc21 ZINC000035341778 172133955 /nfs/dbraw/zinc/13/39/55/172133955.db2.gz DZOADCRTVUMKOH-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM O=C([O-])CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343112 172134974 /nfs/dbraw/zinc/13/49/74/172134974.db2.gz XMUKQQQOHLSVLQ-UHFFFAOYSA-N -1 0 261.237 2.030 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000230688140 414846853 /nfs/dbraw/zinc/84/68/53/414846853.db2.gz TZLDFCZIVJLNFU-ONGXEEELSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)C(=O)[O-] ZINC000043441748 175045969 /nfs/dbraw/zinc/04/59/69/175045969.db2.gz XDDARMBTUCLRIN-QMMMGPOBSA-N -1 0 294.267 2.042 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000430220133 271365650 /nfs/dbraw/zinc/36/56/50/271365650.db2.gz BMNQAARCQVVEMU-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(NCC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000225819605 280214134 /nfs/dbraw/zinc/21/41/34/280214134.db2.gz PJKWRSFNGDMUOO-UHFFFAOYSA-N -1 0 290.319 2.466 20 5 CEBDRM CC[C@](C)(OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000234131039 280220447 /nfs/dbraw/zinc/22/04/47/280220447.db2.gz CHDBFSOZDOBKLS-LBPRGKRZSA-N -1 0 268.269 2.054 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000252923725 280450649 /nfs/dbraw/zinc/45/06/49/280450649.db2.gz KGMLYSQLLIIFJX-CHWSQXEVSA-N -1 0 294.307 2.033 20 5 CEBDRM COc1cc(/C=C\c2ccncn2)cc([N+](=O)[O-])c1[O-] ZINC000436865712 281409218 /nfs/dbraw/zinc/40/92/18/281409218.db2.gz SWGASQPIJZBBBA-IHWYPQMZSA-N -1 0 273.248 2.269 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000456886642 289687561 /nfs/dbraw/zinc/68/75/61/289687561.db2.gz ULWFVZBTHUJABV-QWRGUYRKSA-N -1 0 276.292 2.076 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N[C@H](C)CC(=O)[O-] ZINC000416428833 293301097 /nfs/dbraw/zinc/30/10/97/293301097.db2.gz WDVSVZNBFCEUSB-MRVPVSSYSA-N -1 0 268.269 2.016 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2CCO)c1 ZINC000566292324 298963593 /nfs/dbraw/zinc/96/35/93/298963593.db2.gz SJUFWPJKVNHNFY-KOLCDFICSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1cc(N2CC[C@](C)(C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000312853038 301342418 /nfs/dbraw/zinc/34/24/18/301342418.db2.gz WJSSVCRTCQRUTI-ZDUSSCGKSA-N -1 0 282.271 2.343 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263201308 302040858 /nfs/dbraw/zinc/04/08/58/302040858.db2.gz MKLVBIGSURELOG-KOLCDFICSA-N -1 0 278.308 2.450 20 5 CEBDRM CC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000514863798 313059839 /nfs/dbraw/zinc/05/98/39/313059839.db2.gz VIGBUMBVTSASSO-ZCFIWIBFSA-N -1 0 272.688 2.482 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000521875301 313133899 /nfs/dbraw/zinc/13/38/99/313133899.db2.gz YCGROZIOLZXWPL-KOLCDFICSA-N -1 0 278.308 2.450 20 5 CEBDRM CCCC[C@@H](Sc1c([N+](=O)[O-])ncn1C)C(=O)[O-] ZINC000563433200 313739420 /nfs/dbraw/zinc/73/94/20/313739420.db2.gz RSKRBVKQSQFGRQ-SSDOTTSWSA-N -1 0 273.314 2.064 20 5 CEBDRM C/C=C\C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568094409 313930687 /nfs/dbraw/zinc/93/06/87/313930687.db2.gz FFNFQHDQTQXYSZ-ZMWSMAPVSA-N -1 0 280.280 2.032 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C)C2)n1 ZINC000575127077 314207802 /nfs/dbraw/zinc/20/78/02/314207802.db2.gz YIABITKDVVCJEX-DTWKUNHWSA-N -1 0 293.323 2.479 20 5 CEBDRM CO[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000576403224 314272742 /nfs/dbraw/zinc/27/27/42/314272742.db2.gz SFIARMSSYPXYFJ-MRVPVSSYSA-N -1 0 268.269 2.048 20 5 CEBDRM CCCN(c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC000579112919 314550710 /nfs/dbraw/zinc/55/07/10/314550710.db2.gz MZVBEHRKDMUYTB-UHFFFAOYSA-N -1 0 279.296 2.375 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OC ZINC000381371371 321834219 /nfs/dbraw/zinc/83/42/19/321834219.db2.gz JGRTWQZDXFKGTB-CABZTGNLSA-N -1 0 296.323 2.091 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OC ZINC000381371367 321834364 /nfs/dbraw/zinc/83/43/64/321834364.db2.gz JGRTWQZDXFKGTB-BXKDBHETSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1ccoc1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000383365213 321847275 /nfs/dbraw/zinc/84/72/75/321847275.db2.gz GLNBIWOSDSJZGY-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H](F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000582787808 322503098 /nfs/dbraw/zinc/50/30/98/322503098.db2.gz RVZFLGKBJHYMNJ-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1cc(N[C@@H]2CO[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583146435 322527466 /nfs/dbraw/zinc/52/74/66/322527466.db2.gz ZHBVCTPVGCEHEP-BDAKNGLRSA-N -1 0 280.280 2.191 20 5 CEBDRM CN(CC[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000583997449 326838216 /nfs/dbraw/zinc/83/82/16/326838216.db2.gz ICUUZQPWESEVGC-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM CN(CC1CC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211954666 326866671 /nfs/dbraw/zinc/86/66/71/326866671.db2.gz KNUBZOFMWRDUNO-UHFFFAOYSA-N -1 0 250.254 2.139 20 5 CEBDRM COCCCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397234727 329345524 /nfs/dbraw/zinc/34/55/24/329345524.db2.gz XFFRSLJMLNWQQX-UHFFFAOYSA-N -1 0 282.296 2.156 20 5 CEBDRM C[C@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCOC1 ZINC000397243498 329345903 /nfs/dbraw/zinc/34/59/03/329345903.db2.gz ZDNJYILJEJFVGG-CYBMUJFWSA-N -1 0 280.280 2.132 20 5 CEBDRM C[C@@H](CCCCO)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000398501676 329443833 /nfs/dbraw/zinc/44/38/33/329443833.db2.gz YRNVCIOKNQGGME-VIFPVBQESA-N -1 0 282.296 2.256 20 5 CEBDRM O=C(NCc1ccsc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179430343 534695213 /nfs/dbraw/zinc/69/52/13/534695213.db2.gz ZQHKOODIIOUIFM-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000061835150 524392258 /nfs/dbraw/zinc/39/22/58/524392258.db2.gz DNGSWBUBFZXNJW-ZJUUUORDSA-N -1 0 294.307 2.273 20 5 CEBDRM CCOC(=O)c1cc(N[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000416428125 528189857 /nfs/dbraw/zinc/18/98/57/528189857.db2.gz SOSBUGOSQNNZGX-MRVPVSSYSA-N -1 0 296.279 2.047 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179395947 528685162 /nfs/dbraw/zinc/68/51/62/528685162.db2.gz SOMTXJPFWHXGSI-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=Cc1ccc(-c2cnc([N+](=O)[O-])cc2C(=O)[O-])cc1F ZINC000874973646 649878053 /nfs/dbraw/zinc/87/80/53/649878053.db2.gz PXUNWQCZHATKPL-UHFFFAOYSA-N -1 0 290.206 2.307 20 5 CEBDRM C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000737711252 574473256 /nfs/dbraw/zinc/47/32/56/574473256.db2.gz DCUTVBARIISHIB-LURJTMIESA-N -1 0 295.272 2.439 20 5 CEBDRM O=C([O-])CCCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000738581019 574481676 /nfs/dbraw/zinc/48/16/76/574481676.db2.gz PDDAXEKLFLPPAX-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM C[Si](C)(C)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738149092 574852670 /nfs/dbraw/zinc/85/26/70/574852670.db2.gz KEHLIHRPUVJWIA-UHFFFAOYSA-N -1 0 297.339 2.327 20 5 CEBDRM Cc1nn(C)c(Nc2ccc(NC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000738375130 574859755 /nfs/dbraw/zinc/85/97/55/574859755.db2.gz GUKZCXVSGNPGTR-UHFFFAOYSA-N -1 0 291.267 2.470 20 5 CEBDRM CC(C)(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000738744096 574876327 /nfs/dbraw/zinc/87/63/27/574876327.db2.gz NVBROKUBMYGKGK-UHFFFAOYSA-N -1 0 295.295 2.360 20 5 CEBDRM C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739037040 574890696 /nfs/dbraw/zinc/89/06/96/574890696.db2.gz OBZRKAVGORHLKZ-ZJUUUORDSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H](C)N1C(=O)[O-] ZINC000739194558 574899114 /nfs/dbraw/zinc/89/91/14/574899114.db2.gz PPHUPVOURKFETA-OCAPTIKFSA-N -1 0 285.325 2.233 20 5 CEBDRM C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739194878 574899182 /nfs/dbraw/zinc/89/91/82/574899182.db2.gz QTTCZPOFBIZONP-DTORHVGOSA-N -1 0 297.286 2.311 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739193785 574899260 /nfs/dbraw/zinc/89/92/60/574899260.db2.gz MMZMWRCJROTCSB-AOOOYVTPSA-N -1 0 279.296 2.172 20 5 CEBDRM CCC[C@H](NC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000739321644 574910220 /nfs/dbraw/zinc/91/02/20/574910220.db2.gz WGHFVMPDHGEMJY-JTQLQIEISA-N -1 0 295.295 2.278 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000739585741 574927419 /nfs/dbraw/zinc/92/74/19/574927419.db2.gz DJPROVHUMJKCRM-GFCCVEGCSA-N -1 0 279.296 2.173 20 5 CEBDRM O=Cc1ccc([N+](=O)[O-])c(OCc2cc(C(=O)[O-])co2)c1 ZINC000740317201 574952026 /nfs/dbraw/zinc/95/20/26/574952026.db2.gz ALXKJYHMSFAWII-UHFFFAOYSA-N -1 0 291.215 2.278 20 5 CEBDRM O=C([O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740505925 574956791 /nfs/dbraw/zinc/95/67/91/574956791.db2.gz GROBUTOHSKPOQI-SSDOTTSWSA-N -1 0 285.687 2.412 20 5 CEBDRM CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000232745062 598180252 /nfs/dbraw/zinc/18/02/52/598180252.db2.gz LDHMMRKATNOOIZ-QMMMGPOBSA-N -1 0 273.676 2.164 20 5 CEBDRM Cc1ccc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000111253514 601562697 /nfs/dbraw/zinc/56/26/97/601562697.db2.gz MUJNDOSCWYHDJD-NXEZZACHSA-N -1 0 264.281 2.060 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000832521199 603198323 /nfs/dbraw/zinc/19/83/23/603198323.db2.gz LNRDGLCIUVKRMG-UWVGGRQHSA-N -1 0 294.311 2.228 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000825637581 603564623 /nfs/dbraw/zinc/56/46/23/603564623.db2.gz DVUGVWFHLCFBDG-QWRGUYRKSA-N -1 0 293.323 2.340 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000825637579 603564882 /nfs/dbraw/zinc/56/48/82/603564882.db2.gz DVUGVWFHLCFBDG-MNOVXSKESA-N -1 0 293.323 2.340 20 5 CEBDRM CN(C[C@H]1CCCN1Cc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828230907 604102458 /nfs/dbraw/zinc/10/24/58/604102458.db2.gz WHCUSDNIKBXDRF-SNVBAGLBSA-N -1 0 299.352 2.231 20 5 CEBDRM CC(C)C[N@H+](CCC(=O)[O-])Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000833487008 604578526 /nfs/dbraw/zinc/57/85/26/604578526.db2.gz ZMYLSWOVRPHIOT-UHFFFAOYSA-N -1 0 296.323 2.233 20 5 CEBDRM O=C([O-])c1cc(OC/C=C/Cl)ccc1[N+](=O)[O-] ZINC000236460832 604743680 /nfs/dbraw/zinc/74/36/80/604743680.db2.gz RVZUJIHOIKDNBG-DAFODLJHSA-N -1 0 257.629 2.424 20 5 CEBDRM C[C@@H]1CCC[C@H](Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)C1 ZINC000833607732 605074165 /nfs/dbraw/zinc/07/41/65/605074165.db2.gz INIIHOHUPHOZOQ-ZJUUUORDSA-N -1 0 294.307 2.281 20 5 CEBDRM CC(C)(C)C[C@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000833430001 605238319 /nfs/dbraw/zinc/23/83/19/605238319.db2.gz ROYSBAVBTYZJAE-QMMMGPOBSA-N -1 0 285.252 2.234 20 5 CEBDRM O=C([O-])N[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832391541 605922590 /nfs/dbraw/zinc/92/25/90/605922590.db2.gz CKZSXNAZXMFIGC-JTQLQIEISA-N -1 0 299.714 2.090 20 5 CEBDRM COC[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000013277190 625930842 /nfs/dbraw/zinc/93/08/42/625930842.db2.gz WZMHCTKGWVLZDR-OTQAPUNGSA-N -1 0 280.280 2.139 20 5 CEBDRM COCC(C)(C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000840595092 628382123 /nfs/dbraw/zinc/38/21/23/628382123.db2.gz IISXHUYGHMQZSX-UHFFFAOYSA-N -1 0 297.307 2.406 20 5 CEBDRM O=C(/C=C/[C@@H]1CCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000821398970 634710978 /nfs/dbraw/zinc/71/09/78/634710978.db2.gz WAZYGFZZKMTFNF-FUEXJSSKSA-N -1 0 293.275 2.079 20 5 CEBDRM CC(C)OCCON=c1[n-]cc(Cl)cc1[N+](=O)[O-] ZINC000812488243 632537497 /nfs/dbraw/zinc/53/74/97/632537497.db2.gz AXTMIZSBDKWLNA-UHFFFAOYSA-N -1 0 275.692 2.412 20 5 CEBDRM O=C([N-]OC1CCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000812796411 632583645 /nfs/dbraw/zinc/58/36/45/632583645.db2.gz OCHATORYENGGBG-UHFFFAOYSA-N -1 0 286.234 2.287 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000900369385 633688671 /nfs/dbraw/zinc/68/86/71/633688671.db2.gz HUEVNMBUHRRTGP-ZDUSSCGKSA-N -1 0 297.286 2.210 20 5 CEBDRM Cc1cc(N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC000900944704 633897299 /nfs/dbraw/zinc/89/72/99/633897299.db2.gz KTUJWIYVNKGVHL-LLVKDONJSA-N -1 0 270.310 2.266 20 5 CEBDRM O=C([O-])[C@]1(F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000901513771 634170506 /nfs/dbraw/zinc/17/05/06/634170506.db2.gz DPEKGLCMPMXDHO-KQIUPUNMSA-N -1 0 294.282 2.107 20 5 CEBDRM C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000901597412 634203523 /nfs/dbraw/zinc/20/35/23/634203523.db2.gz GTCWXCBATBEICE-QMMMGPOBSA-N -1 0 286.715 2.401 20 5 CEBDRM CCCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000903180397 635000810 /nfs/dbraw/zinc/00/08/10/635000810.db2.gz AQIUJCCONGRYFB-UHFFFAOYSA-N -1 0 288.325 2.145 20 5 CEBDRM C/C(=C/CNc1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000906149624 636625592 /nfs/dbraw/zinc/62/55/92/636625592.db2.gz VUTOGVKRPIPQJI-TWGQIWQCSA-N -1 0 250.254 2.346 20 5 CEBDRM COc1cccc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000910490704 638074451 /nfs/dbraw/zinc/07/44/51/638074451.db2.gz YWIOTARVHGFAQX-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM CC[C@@H](C)OCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837592946 639299756 /nfs/dbraw/zinc/29/97/56/639299756.db2.gz NURJAVFZMIVMIQ-SECBINFHSA-N -1 0 283.280 2.159 20 5 CEBDRM CC[C@H](C)[C@@H](OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837696761 639347135 /nfs/dbraw/zinc/34/71/35/639347135.db2.gz QNZAEVUICAOKQY-TVQRCGJNSA-N -1 0 297.307 2.405 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000044618863 639347452 /nfs/dbraw/zinc/34/74/52/639347452.db2.gz XROXWNLFUZZZNP-MRVPVSSYSA-N -1 0 256.233 2.033 20 5 CEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000229045913 639673448 /nfs/dbraw/zinc/67/34/48/639673448.db2.gz WVGBAFAQJMJRRX-ICCXJUOJSA-N -1 0 276.292 2.284 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000062874923 639792605 /nfs/dbraw/zinc/79/26/05/639792605.db2.gz FRKRFUBZSVUKLE-CYBMUJFWSA-N -1 0 279.296 2.071 20 5 CEBDRM C[C@@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]1C ZINC000312407136 640024471 /nfs/dbraw/zinc/02/44/71/640024471.db2.gz FLMYGIFBGBNHJS-BDAKNGLRSA-N -1 0 279.296 2.313 20 5 CEBDRM C[C@H](O)CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211807 640633635 /nfs/dbraw/zinc/63/36/35/640633635.db2.gz ZUBZWGBQZXINRK-BXKUYDPTSA-N -1 0 294.307 2.266 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(N2CCC(CCC(=O)[O-])CC2)c1 ZINC000844213681 640633920 /nfs/dbraw/zinc/63/39/20/640633920.db2.gz GIJIFYDPNNSOJV-UHFFFAOYSA-N -1 0 293.323 2.258 20 5 CEBDRM C[C@@H](O)CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211808 640634253 /nfs/dbraw/zinc/63/42/53/640634253.db2.gz ZUBZWGBQZXINRK-ONRRBMGISA-N -1 0 294.307 2.266 20 5 CEBDRM CC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000844217571 640635181 /nfs/dbraw/zinc/63/51/81/640635181.db2.gz GPRHJYOGQCCWTF-GZMMTYOYSA-N -1 0 292.291 2.097 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)C(F)F ZINC000180777556 641485434 /nfs/dbraw/zinc/48/54/34/641485434.db2.gz FYFJZDYFURHULB-UHFFFAOYSA-N -1 0 282.149 2.139 20 5 CEBDRM Cc1nc2c(o1)CCC[C@H]2OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000847909965 641831298 /nfs/dbraw/zinc/83/12/98/641831298.db2.gz WCVBLVTXVFFZNL-SNVBAGLBSA-N -1 0 291.263 2.454 20 5 CEBDRM O=C(N[C@@H]1C=CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000855436201 644353518 /nfs/dbraw/zinc/35/35/18/644353518.db2.gz WUMVXPCDOCAXMY-MRVPVSSYSA-N -1 0 282.683 2.402 20 5 CEBDRM COC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCCC1 ZINC000759876498 645087346 /nfs/dbraw/zinc/08/73/46/645087346.db2.gz UWNFICKUOKKZJF-UHFFFAOYSA-N -1 0 268.269 2.039 20 5 CEBDRM O=C(COc1ccc([N+](=O)[O-])cc1)[N-]OC1CCCCC1 ZINC000777958488 647191745 /nfs/dbraw/zinc/19/17/45/647191745.db2.gz MRYMIDUZSRAJCT-UHFFFAOYSA-N -1 0 294.307 2.354 20 5 CEBDRM O=C(NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000869600420 648528815 /nfs/dbraw/zinc/52/88/15/648528815.db2.gz JWIWISPWWMELTJ-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM C[C@H]1C[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001226332124 805580680 /nfs/dbraw/zinc/58/06/80/805580680.db2.gz SROVPNPUJCTYQQ-BRPSZJMVSA-N -1 0 267.285 2.294 20 5 CEBDRM C[C@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])c1ccccc1 ZINC001226329190 805581137 /nfs/dbraw/zinc/58/11/37/805581137.db2.gz FILWOSXCDLYDQA-QMMMGPOBSA-N -1 0 261.237 2.230 20 5 CEBDRM Cc1ccc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000722672530 802461098 /nfs/dbraw/zinc/46/10/98/802461098.db2.gz JJGYNDMQOGDEAP-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM CCOC(=O)c1nonc1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210950209 802756858 /nfs/dbraw/zinc/75/68/58/802756858.db2.gz UWIHKESADVNTTI-UHFFFAOYSA-N -1 0 296.214 2.037 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NC1CC(C(=O)[O-])C1 ZINC000693392400 808832056 /nfs/dbraw/zinc/83/20/56/808832056.db2.gz FAMRGLONCYZJAQ-UHFFFAOYSA-N -1 0 250.254 2.178 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc1 ZINC000120001810 810793368 /nfs/dbraw/zinc/79/33/68/810793368.db2.gz LNAKMKPLRRJACE-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1cnccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120015783 810795480 /nfs/dbraw/zinc/79/54/80/810795480.db2.gz VAZWMBQGKVMDTD-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000120059150 810798964 /nfs/dbraw/zinc/79/89/64/810798964.db2.gz IVCMWOCKEVJWRC-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM CSCC[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316518 813327873 /nfs/dbraw/zinc/32/78/73/813327873.db2.gz VZLIHKXLYPYZSD-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM COc1ccncc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502856 816029260 /nfs/dbraw/zinc/02/92/60/816029260.db2.gz KYDOFCNXMBFSRY-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnn3cccnc23)cc1[N+](=O)[O-] ZINC001174503214 816030086 /nfs/dbraw/zinc/03/00/86/816030086.db2.gz YUFJFZXEWGRBSB-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM CCOc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC001176671877 816452814 /nfs/dbraw/zinc/45/28/14/816452814.db2.gz CDFBJIOIWQWMSH-UHFFFAOYSA-N -1 0 293.235 2.423 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000124369797 816761394 /nfs/dbraw/zinc/76/13/94/816761394.db2.gz VGTIEFSQQAJEGG-LBPRGKRZSA-N -1 0 287.275 2.196 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000037589543 361907412 /nfs/dbraw/zinc/90/74/12/361907412.db2.gz PRDSVPBMLCEFPS-JTQLQIEISA-N -1 0 294.307 2.229 20 5 CEBDRM COCCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000601936573 346932467 /nfs/dbraw/zinc/93/24/67/346932467.db2.gz USHHTROKSPVANS-UHFFFAOYSA-N -1 0 277.280 2.032 20 5 CEBDRM COCCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000127184645 187287808 /nfs/dbraw/zinc/28/78/08/187287808.db2.gz NDKJARHLWXKDGQ-UHFFFAOYSA-N -1 0 296.323 2.045 20 5 CEBDRM COc1cc(N2CCC[C@@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111044981 344270410 /nfs/dbraw/zinc/27/04/10/344270410.db2.gz SMAJLZZEYGHTAC-JTQLQIEISA-N -1 0 294.307 2.295 20 5 CEBDRM Cc1nc(N2CCC[C@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000123393938 344310291 /nfs/dbraw/zinc/31/02/91/344310291.db2.gz RSJFIZTXFDMTOA-LLVKDONJSA-N -1 0 293.323 2.379 20 5 CEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000134985715 344379338 /nfs/dbraw/zinc/37/93/38/344379338.db2.gz JNQBATBMZQEYFP-JTQLQIEISA-N -1 0 293.323 2.317 20 5 CEBDRM O=C([O-])C1(CNc2ncc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000138559542 344390500 /nfs/dbraw/zinc/39/05/00/344390500.db2.gz JDCPKALXWFUUBN-UHFFFAOYSA-N -1 0 285.687 2.310 20 5 CEBDRM Cc1ccc(NC[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000147523923 344412287 /nfs/dbraw/zinc/41/22/87/344412287.db2.gz XNUBQLQAJMPCGH-SECBINFHSA-N -1 0 252.270 2.426 20 5 CEBDRM CCSCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000305945777 344711430 /nfs/dbraw/zinc/71/14/30/344711430.db2.gz BYLXOPRHYUALSG-UHFFFAOYSA-N -1 0 285.325 2.243 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]1C(F)(F)F ZINC000590552813 345145280 /nfs/dbraw/zinc/14/52/80/345145280.db2.gz CBXCLUWEOBPTID-VIFPVBQESA-N -1 0 290.197 2.077 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000591326788 345240386 /nfs/dbraw/zinc/24/03/86/345240386.db2.gz IMUVVFGRCFNZNM-QMMMGPOBSA-N -1 0 270.310 2.347 20 5 CEBDRM C[C@@H]1CC(C)(C)CN1c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592973868 345417228 /nfs/dbraw/zinc/41/72/28/345417228.db2.gz BKKJCZUDBZJOGQ-MRVPVSSYSA-N -1 0 279.296 2.313 20 5 CEBDRM CCOC[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000592976656 345417729 /nfs/dbraw/zinc/41/77/29/345417729.db2.gz CBNFRGSWPHGSJI-SNVBAGLBSA-N -1 0 294.307 2.156 20 5 CEBDRM O=C([O-])[C@H]1CC12CCN(c1ccc([N+](=O)[O-])s1)CC2 ZINC000592980960 345418475 /nfs/dbraw/zinc/41/84/75/345418475.db2.gz YZOZRVRSFYIYSG-MRVPVSSYSA-N -1 0 282.321 2.347 20 5 CEBDRM Cn1cc(CSCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000593199465 345453191 /nfs/dbraw/zinc/45/31/91/345453191.db2.gz XOOAJJRCJHLOLS-UHFFFAOYSA-N -1 0 279.321 2.467 20 5 CEBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069212 345432870 /nfs/dbraw/zinc/43/28/70/345432870.db2.gz HVJILYMEVKELLR-GFCCVEGCSA-N -1 0 280.324 2.301 20 5 CEBDRM O=C(NC[C@H]1CC12CC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592808058 345398944 /nfs/dbraw/zinc/39/89/44/345398944.db2.gz KOUHDCDLSRXAMK-SSDOTTSWSA-N -1 0 296.710 2.484 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccncc1 ZINC000105565110 232194236 /nfs/dbraw/zinc/19/42/36/232194236.db2.gz FRRGRBRHPQQZCX-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C([O-])CC1(Nc2ccc([N+](=O)[O-])s2)CCC1 ZINC000593326885 345466978 /nfs/dbraw/zinc/46/69/78/345466978.db2.gz KJTAXHJDAYDHDD-UHFFFAOYSA-N -1 0 256.283 2.466 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593886136 345548333 /nfs/dbraw/zinc/54/83/33/345548333.db2.gz JTSZERMKCWMETA-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000594734735 345681328 /nfs/dbraw/zinc/68/13/28/345681328.db2.gz DECFXWREMQAFIO-ZJUUUORDSA-N -1 0 294.307 2.297 20 5 CEBDRM Cc1csc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000164276155 232263754 /nfs/dbraw/zinc/26/37/54/232263754.db2.gz WEANGIPCCXFAOX-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC(=O)c1ccc(NCC2(C(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000595976883 345920149 /nfs/dbraw/zinc/92/01/49/345920149.db2.gz CSJBTMBZFPLDJB-UHFFFAOYSA-N -1 0 292.291 2.464 20 5 CEBDRM C[C@@H](O)CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000596411015 346017318 /nfs/dbraw/zinc/01/73/18/346017318.db2.gz ZIGBBOCYBHUFRI-MRVPVSSYSA-N -1 0 257.311 2.305 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179411894 232393189 /nfs/dbraw/zinc/39/31/89/232393189.db2.gz XQEWFQAWCKTBSN-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000597491013 346193303 /nfs/dbraw/zinc/19/33/03/346193303.db2.gz CXLYYSBFAXDYJJ-RNCFNFMXSA-N -1 0 294.307 2.444 20 5 CEBDRM CC[C@H](C)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597979220 346262836 /nfs/dbraw/zinc/26/28/36/346262836.db2.gz VIMOXFSOCUCBMK-VIFPVBQESA-N -1 0 266.297 2.466 20 5 CEBDRM CC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000598232482 346312175 /nfs/dbraw/zinc/31/21/75/346312175.db2.gz GFATVXVTPFKJQH-SNVBAGLBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC(CC2CC2)C1 ZINC000598778464 346418342 /nfs/dbraw/zinc/41/83/42/346418342.db2.gz JQHPKYQGDPMSOW-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CCC[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OCC ZINC000600176378 346615791 /nfs/dbraw/zinc/61/57/91/346615791.db2.gz WDZRUEZAKNFJMO-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM CCC[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])OCC ZINC000600678068 346671937 /nfs/dbraw/zinc/67/19/37/346671937.db2.gz KMTSOMBXRGHVBB-JTQLQIEISA-N -1 0 297.311 2.305 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000600361335 346635447 /nfs/dbraw/zinc/63/54/47/346635447.db2.gz UKGTVFUSQYOQHX-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM Cc1ccnc(SC[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000086111087 179233175 /nfs/dbraw/zinc/23/31/75/179233175.db2.gz GSCDESOXCVWVBP-ZETCQYMHSA-N -1 0 256.283 2.111 20 5 CEBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(C3CC3)s2)c(F)c1 ZINC000611491350 347784882 /nfs/dbraw/zinc/78/48/82/347784882.db2.gz ROBNYDOJJWYQRL-UHFFFAOYSA-N -1 0 294.311 2.497 20 5 CEBDRM Cc1noc(C)c1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000612428558 347885072 /nfs/dbraw/zinc/88/50/72/347885072.db2.gz OFMHVNFQGUBLPT-UHFFFAOYSA-N -1 0 291.263 2.182 20 5 CEBDRM CCC[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612523701 347897740 /nfs/dbraw/zinc/89/77/40/347897740.db2.gz ANXBUTYMODSJGI-QMMMGPOBSA-N -1 0 252.270 2.219 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1F ZINC000612565943 347902045 /nfs/dbraw/zinc/90/20/45/347902045.db2.gz NKOBTDXPAVECJT-SCZZXKLOSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(C1)CC(F)(F)C2 ZINC000614002021 348132376 /nfs/dbraw/zinc/13/23/76/348132376.db2.gz VWDZQUVWZPIKKZ-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)CC(=O)[O-] ZINC000147530499 539801733 /nfs/dbraw/zinc/80/17/33/539801733.db2.gz JVZSFDFDSITNDA-MRVPVSSYSA-N -1 0 290.279 2.061 20 5 CEBDRM Cc1nc(NC2CCC(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000123346401 187085811 /nfs/dbraw/zinc/08/58/11/187085811.db2.gz DEBSXNVXTFSNAV-UHFFFAOYSA-N -1 0 279.296 2.354 20 5 CEBDRM CSC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000157714984 188334453 /nfs/dbraw/zinc/33/44/53/188334453.db2.gz DSODERGXNICMGN-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM COC[C@H]1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000570572852 299265314 /nfs/dbraw/zinc/26/53/14/299265314.db2.gz GLJKMQOKTSRLHT-JTQLQIEISA-N -1 0 294.307 2.074 20 5 CEBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC000578362903 366484852 /nfs/dbraw/zinc/48/48/52/366484852.db2.gz BKIPFYLIFLWESI-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM CC[C@H](Sc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000578511540 366504696 /nfs/dbraw/zinc/50/46/96/366504696.db2.gz VPEKKJUROCEWHF-QMMMGPOBSA-N -1 0 256.283 2.132 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000148374469 366581098 /nfs/dbraw/zinc/58/10/98/366581098.db2.gz ZKPWOFAQFCKEQR-UHFFFAOYSA-N -1 0 299.714 2.334 20 5 CEBDRM Cc1cc(N[C@@H](C)C[C@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581550559 366793886 /nfs/dbraw/zinc/79/38/86/366793886.db2.gz FGNPQZKYSGWELX-IUCAKERBSA-N -1 0 282.296 2.173 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000155186542 366809458 /nfs/dbraw/zinc/80/94/58/366809458.db2.gz BNHXWVKOXUYBRB-QWRGUYRKSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000155186438 366809753 /nfs/dbraw/zinc/80/97/53/366809753.db2.gz BNHXWVKOXUYBRB-GHMZBOCLSA-N -1 0 276.292 2.173 20 5 CEBDRM CN1c2ccccc2C(=O)N[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024034879 361606106 /nfs/dbraw/zinc/60/61/06/361606106.db2.gz LRRNHRKBJVIOOT-AWEZNQCLSA-N -1 0 299.286 2.179 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCS1 ZINC000092546651 364080526 /nfs/dbraw/zinc/08/05/26/364080526.db2.gz RHQKSGKYOVFKNT-SNVBAGLBSA-N -1 0 268.294 2.135 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356509322 370736881 /nfs/dbraw/zinc/73/68/81/370736881.db2.gz GTNMRSQLXCFTRM-SNVBAGLBSA-N -1 0 264.281 2.315 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356548255 370750971 /nfs/dbraw/zinc/75/09/71/370750971.db2.gz LDUMZFZZWFBTGT-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM CC[C@H](Sc1ccc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000097824465 364521014 /nfs/dbraw/zinc/52/10/14/364521014.db2.gz UVMDGCXKLLRKTM-QMMMGPOBSA-N -1 0 256.283 2.254 20 5 CEBDRM Cc1cc(NCCCCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583443241 367050285 /nfs/dbraw/zinc/05/02/85/367050285.db2.gz FABGNVXNQPOUSQ-UHFFFAOYSA-N -1 0 282.296 2.176 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC2CCC(C(=O)[O-])CC2)n1 ZINC000162694145 367180959 /nfs/dbraw/zinc/18/09/59/367180959.db2.gz HTZJJNLHAIRRLG-UHFFFAOYSA-N -1 0 279.296 2.354 20 5 CEBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])NO[C@@H]1CCCCO1 ZINC000162296555 367149507 /nfs/dbraw/zinc/14/95/07/367149507.db2.gz AIEDOJPTZNKGSL-MYSGNRETSA-N -1 0 292.291 2.182 20 5 CEBDRM CC1(C)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162434485 367160213 /nfs/dbraw/zinc/16/02/13/367160213.db2.gz JWEUXZGSOJLEQC-UHFFFAOYSA-N -1 0 279.296 2.314 20 5 CEBDRM COCCC(C)(C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166125379 367317614 /nfs/dbraw/zinc/31/76/14/367317614.db2.gz APEIKJQGCOKCFS-UHFFFAOYSA-N -1 0 282.296 2.302 20 5 CEBDRM COC(=O)c1c[nH]c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000187585790 369183313 /nfs/dbraw/zinc/18/33/13/369183313.db2.gz JVKKPBGJPTZOBI-UHFFFAOYSA-N -1 0 293.304 2.397 20 5 CEBDRM CC(C)c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000349145698 369251294 /nfs/dbraw/zinc/25/12/94/369251294.db2.gz SZNAZLCKXBQZSY-UHFFFAOYSA-N -1 0 280.259 2.274 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000191937072 369755951 /nfs/dbraw/zinc/75/59/51/369755951.db2.gz BYPHZCPOGRSPQS-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM COC(C)(C)C[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353253453 370098093 /nfs/dbraw/zinc/09/80/93/370098093.db2.gz ATCKIRVGCGIKDP-SECBINFHSA-N -1 0 296.323 2.234 20 5 CEBDRM CC[C@@H](CCO)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211931362 370164547 /nfs/dbraw/zinc/16/45/47/370164547.db2.gz WQXWKXVGPXPDFH-VIFPVBQESA-N -1 0 282.296 2.114 20 5 CEBDRM O=C(NCc1ccccc1F)c1cccc([O-])c1[N+](=O)[O-] ZINC000355462621 370560423 /nfs/dbraw/zinc/56/04/23/370560423.db2.gz BVSBADZDNYAVAX-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C(Nc1cccc2c[nH]nc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355485995 370571921 /nfs/dbraw/zinc/57/19/21/370571921.db2.gz PARWTQAIFLNDRP-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM COC(C)(C)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000358710118 371186818 /nfs/dbraw/zinc/18/68/18/371186818.db2.gz FRXGQZJDPCBVMK-UHFFFAOYSA-N -1 0 279.252 2.232 20 5 CEBDRM C[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(F)F ZINC000331945581 204321407 /nfs/dbraw/zinc/32/14/07/204321407.db2.gz JACLAOMVBZGVBI-MLUIRONXSA-N -1 0 272.207 2.140 20 5 CEBDRM Cc1cnc(NCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000336812141 213681996 /nfs/dbraw/zinc/68/19/96/213681996.db2.gz QGRGCMZKLLHPAY-UHFFFAOYSA-N -1 0 267.285 2.211 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000269104811 372342214 /nfs/dbraw/zinc/34/22/14/372342214.db2.gz AXMYOYJCRSTCJC-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NC3CCCC3)[n-]2)cc1 ZINC000362829403 372538887 /nfs/dbraw/zinc/53/88/87/372538887.db2.gz WIXPUZFSSGOJFZ-UHFFFAOYSA-N -1 0 274.280 2.421 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272327517 373432419 /nfs/dbraw/zinc/43/24/19/373432419.db2.gz CSXMNQBDEGNTHE-SECBINFHSA-N -1 0 266.297 2.417 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272600555 373575098 /nfs/dbraw/zinc/57/50/98/373575098.db2.gz QTEPDGSNZGMCRT-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM COC1(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000276760843 374292271 /nfs/dbraw/zinc/29/22/71/374292271.db2.gz JOQBLJGKEJUSDJ-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM CC[C@H]1OCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277449311 374524805 /nfs/dbraw/zinc/52/48/05/374524805.db2.gz XIAZNTDPEXVPCL-GXFFZTMASA-N -1 0 294.307 2.444 20 5 CEBDRM CSCCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000279915689 375029398 /nfs/dbraw/zinc/02/93/98/375029398.db2.gz HBSJPVLRDPGQTQ-UHFFFAOYSA-N -1 0 298.364 2.283 20 5 CEBDRM CC1(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000280176459 375119664 /nfs/dbraw/zinc/11/96/64/375119664.db2.gz VITAARGQSVBFDA-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NC[C@H]2CC23CCSCC3)s1 ZINC000420655770 376701596 /nfs/dbraw/zinc/70/15/96/376701596.db2.gz SLTIUXHXZGEFPK-MRVPVSSYSA-N -1 0 285.394 2.418 20 5 CEBDRM CC(C)n1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000314602812 376778955 /nfs/dbraw/zinc/77/89/55/376778955.db2.gz OCCDWLKMFVMQJM-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000563724414 377286907 /nfs/dbraw/zinc/28/69/07/377286907.db2.gz QMBLVXQPJBFUIW-LBPRGKRZSA-N -1 0 294.307 2.043 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000293306589 377513509 /nfs/dbraw/zinc/51/35/09/377513509.db2.gz DXHVRDRCMMIWLV-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC[C@H](O)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000565034759 377537645 /nfs/dbraw/zinc/53/76/45/377537645.db2.gz JMUJMVSYVBFMPJ-VIFPVBQESA-N -1 0 282.296 2.174 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000565036103 377538148 /nfs/dbraw/zinc/53/81/48/377538148.db2.gz SRXKGQAVJAOUNE-JTQLQIEISA-N -1 0 296.348 2.387 20 5 CEBDRM CO[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000566291397 377752681 /nfs/dbraw/zinc/75/26/81/377752681.db2.gz QDNQWDZTVAHPQI-SNVBAGLBSA-N -1 0 297.311 2.161 20 5 CEBDRM Cc1nc([N-]c2cnn(C(C)(C)C)c2)ncc1[N+](=O)[O-] ZINC000450291128 378343426 /nfs/dbraw/zinc/34/34/26/378343426.db2.gz XNUSFANMBXKJKA-UHFFFAOYSA-N -1 0 276.300 2.388 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000456880302 379586498 /nfs/dbraw/zinc/58/64/98/379586498.db2.gz MQQPSNHMELXDKR-QWRGUYRKSA-N -1 0 276.292 2.076 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000543735775 380341947 /nfs/dbraw/zinc/34/19/47/380341947.db2.gz DGTIIBLVSCRGRV-DTORHVGOSA-N -1 0 296.348 2.266 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000163964970 296380890 /nfs/dbraw/zinc/38/08/90/296380890.db2.gz XVLZMDCFIDEZCW-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM COC(=O)[C@@H](C)CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000412989224 394453066 /nfs/dbraw/zinc/45/30/66/394453066.db2.gz CAOCCXRSSCRECC-QMMMGPOBSA-N -1 0 285.321 2.343 20 5 CEBDRM COC(=O)[C@@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436473603 395119289 /nfs/dbraw/zinc/11/92/89/395119289.db2.gz HWMMFNFPASMGER-SSDOTTSWSA-N -1 0 271.294 2.095 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1Cn1nnc(-c2ccccc2)n1 ZINC000436476272 395119401 /nfs/dbraw/zinc/11/94/01/395119401.db2.gz XIHHMHSXFAGWMY-UHFFFAOYSA-N -1 0 297.274 2.002 20 5 CEBDRM CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436910202 395163028 /nfs/dbraw/zinc/16/30/28/395163028.db2.gz OMZOZGIZSXXBAB-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CO[C@@H](C)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000436969123 395169056 /nfs/dbraw/zinc/16/90/56/395169056.db2.gz XJPAPFOVELHRGI-JTQLQIEISA-N -1 0 296.323 2.186 20 5 CEBDRM Cc1ncsc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436987202 395171349 /nfs/dbraw/zinc/17/13/49/395171349.db2.gz UCVVYMGVDAONAT-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCOC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000191431434 395358416 /nfs/dbraw/zinc/35/84/16/395358416.db2.gz MPXBVTFLVAQDGC-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM COc1cc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263090240 154014025 /nfs/dbraw/zinc/01/40/25/154014025.db2.gz CCDGLTGGNYVXTE-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000263542625 154120088 /nfs/dbraw/zinc/12/00/88/154120088.db2.gz RRQLWFVIUBEWRE-FSIBCCDJSA-N -1 0 292.291 2.052 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000263542626 154122106 /nfs/dbraw/zinc/12/21/06/154122106.db2.gz RRQLWFVIUBEWRE-HMDXOVGESA-N -1 0 292.291 2.052 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2CCC1CC2 ZINC000376622751 157251264 /nfs/dbraw/zinc/25/12/64/157251264.db2.gz LUJPVRJAAWDURW-UHFFFAOYSA-N -1 0 276.292 2.315 20 5 CEBDRM CN(CC1CCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164607798 162335130 /nfs/dbraw/zinc/33/51/30/162335130.db2.gz JSZKKIOVPHXDHW-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C([O-])[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000164685364 162337255 /nfs/dbraw/zinc/33/72/55/162337255.db2.gz IIQULBAZKJLGGL-VIFPVBQESA-N -1 0 282.271 2.031 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165133856 162342138 /nfs/dbraw/zinc/34/21/38/162342138.db2.gz NGGCGNOHWPPCKR-MRVPVSSYSA-N -1 0 298.270 2.059 20 5 CEBDRM O=C([O-])CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037378426 173166610 /nfs/dbraw/zinc/16/66/10/173166610.db2.gz IVNRDWJRERKZOF-UHFFFAOYSA-N -1 0 261.237 2.030 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000272403049 296914964 /nfs/dbraw/zinc/91/49/64/296914964.db2.gz NGDYJLLJMPERIA-RKDXNWHRSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000273360319 296920473 /nfs/dbraw/zinc/92/04/73/296920473.db2.gz ALAJMLIZUSYQCT-RKDXNWHRSA-N -1 0 264.281 2.028 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCC12CCC2 ZINC000366778710 304503714 /nfs/dbraw/zinc/50/37/14/304503714.db2.gz RKGBNOPQEVLYOC-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000424904304 264372872 /nfs/dbraw/zinc/37/28/72/264372872.db2.gz HNHHNWXLFUEXBK-RYUDHWBXSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C(NC[C@H]1CCCCS1)c1cccc([N+](=O)[O-])c1[O-] ZINC000230176896 270313228 /nfs/dbraw/zinc/31/32/28/270313228.db2.gz VZXRDFPALKNHAJ-SECBINFHSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C([O-])c1cc(NCC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000236468892 270315360 /nfs/dbraw/zinc/31/53/60/270315360.db2.gz BLLBMOSCQLSAKS-VIFPVBQESA-N -1 0 280.280 2.132 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000396377288 270350015 /nfs/dbraw/zinc/35/00/15/270350015.db2.gz UEPZWCWHJIRMPY-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM CC(C)(C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436948024 271696659 /nfs/dbraw/zinc/69/66/59/271696659.db2.gz GCLABVSBIBVBFC-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000153484111 289115087 /nfs/dbraw/zinc/11/50/87/289115087.db2.gz IYKICLNNOCJTKU-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC1(C2(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])CC2)CC1 ZINC000456649241 289648998 /nfs/dbraw/zinc/64/89/98/289648998.db2.gz PHAXFKYINLRCEQ-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cncc(F)c1 ZINC000487776388 290362500 /nfs/dbraw/zinc/36/25/00/290362500.db2.gz KEKNMMIPDVZRKC-OWOJBTEDSA-N -1 0 289.222 2.393 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000274856155 297212728 /nfs/dbraw/zinc/21/27/28/297212728.db2.gz BUCUKFFFQWQQKH-BDAKNGLRSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130316342 297225750 /nfs/dbraw/zinc/22/57/50/297225750.db2.gz JBXAMPFEAILYNE-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM COCCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000521252186 297642960 /nfs/dbraw/zinc/64/29/60/297642960.db2.gz CLAWNWIKHGWEAT-UHFFFAOYSA-N -1 0 282.296 2.060 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000562505322 298694091 /nfs/dbraw/zinc/69/40/91/298694091.db2.gz QTDYQJJKFPMPQR-DLRQAJBASA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CS[C@H](C)C2)n1 ZINC000567355985 299056646 /nfs/dbraw/zinc/05/66/46/299056646.db2.gz YMCBJQRAAOVFOS-SFYZADRCSA-N -1 0 297.336 2.302 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000273360299 300193536 /nfs/dbraw/zinc/19/35/36/300193536.db2.gz ALAJMLIZUSYQCT-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092921931 301340853 /nfs/dbraw/zinc/34/08/53/301340853.db2.gz RVLXMMXYHSKGBB-GXSJLCMTSA-N -1 0 264.281 2.203 20 5 CEBDRM Cc1cnccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181991337 302388040 /nfs/dbraw/zinc/38/80/40/302388040.db2.gz DQTYKBZBLZDXQB-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CO[C@H]1CCCC[C@@H]1Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205190 313722060 /nfs/dbraw/zinc/72/20/60/313722060.db2.gz LGUFLBOLFNJWLO-UWVGGRQHSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1n[nH]c2ccccc21 ZINC000183899076 321723791 /nfs/dbraw/zinc/72/37/91/321723791.db2.gz YCXGQFCOBCJVHN-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM COc1cc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000583934426 326801081 /nfs/dbraw/zinc/80/10/81/326801081.db2.gz FQSKFBFFBDVBGY-MWLCHTKSSA-N -1 0 294.307 2.150 20 5 CEBDRM CC(C)CN(CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000062742414 519711118 /nfs/dbraw/zinc/71/11/18/519711118.db2.gz PCYZMCBICZLDAX-UHFFFAOYSA-N -1 0 295.295 2.169 20 5 CEBDRM COc1cc(CNc2nocc2C)cc([N+](=O)[O-])c1[O-] ZINC000184039571 522498036 /nfs/dbraw/zinc/49/80/36/522498036.db2.gz LDINAGMPSAMBTA-UHFFFAOYSA-N -1 0 279.252 2.218 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000185025906 522983467 /nfs/dbraw/zinc/98/34/67/522983467.db2.gz KFYPVGZGBZRZDD-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CSC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184936622 525657736 /nfs/dbraw/zinc/65/77/36/525657736.db2.gz PDUILQISIWUZDM-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000162708820 526060339 /nfs/dbraw/zinc/06/03/39/526060339.db2.gz LVHOVHLZFRPJRH-SNVBAGLBSA-N -1 0 281.312 2.457 20 5 CEBDRM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000050921006 527599662 /nfs/dbraw/zinc/59/96/62/527599662.db2.gz DSLXTLQWWNLZEV-SECBINFHSA-N -1 0 296.279 2.047 20 5 CEBDRM CCOc1cc(N2CC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111045102 528312522 /nfs/dbraw/zinc/31/25/22/528312522.db2.gz DJKPCRLQSMRDBJ-AWEZNQCLSA-N -1 0 294.307 2.295 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182031552 528830772 /nfs/dbraw/zinc/83/07/72/528830772.db2.gz DWGRJWSVYKKKNU-JTQLQIEISA-N -1 0 296.323 2.235 20 5 CEBDRM Cc1cc(N2CC[C@H](NC(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000740076889 574440629 /nfs/dbraw/zinc/44/06/29/574440629.db2.gz HEUAUOWKOYDKEW-PWSUYJOCSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1cc(C(=O)OCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000738217049 574508874 /nfs/dbraw/zinc/50/88/74/574508874.db2.gz AANNGLPMPUYKBT-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM CC(C)C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000736424437 574787436 /nfs/dbraw/zinc/78/74/36/574787436.db2.gz GKANZGKKXUQWHH-NSHDSACASA-N -1 0 281.264 2.251 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)C2CCCC2)c1 ZINC000740187078 574947275 /nfs/dbraw/zinc/94/72/75/574947275.db2.gz WCDJJSIQWRJIKN-UHFFFAOYSA-N -1 0 293.275 2.431 20 5 CEBDRM O=C([O-])c1coc(COC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740272822 574950883 /nfs/dbraw/zinc/95/08/83/574950883.db2.gz XSUWLPPSLCKJEJ-UHFFFAOYSA-N -1 0 291.215 2.243 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000740596547 574960877 /nfs/dbraw/zinc/96/08/77/574960877.db2.gz NANPNFLZBNPGKD-SECBINFHSA-N -1 0 299.714 2.090 20 5 CEBDRM O=C(OC[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])[n-]1 ZINC000753574954 575330830 /nfs/dbraw/zinc/33/08/30/575330830.db2.gz KYLJULFUJWMMBR-JTQLQIEISA-N -1 0 288.259 2.083 20 5 CEBDRM C[C@@H](CCO)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417323 600826812 /nfs/dbraw/zinc/82/68/12/600826812.db2.gz DRZRFOCAQPERKT-GFAPAMAISA-N -1 0 294.307 2.123 20 5 CEBDRM C[C@@H](CO)Sc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827518120 600827898 /nfs/dbraw/zinc/82/78/98/600827898.db2.gz YPHLANWARGCYTK-NHLYECAPSA-N -1 0 283.305 2.166 20 5 CEBDRM CCC(CC)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165254245 600926300 /nfs/dbraw/zinc/92/63/00/600926300.db2.gz DJYXMXUCAIUNTI-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM CCc1oc(C(=O)[O-])cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000830398211 601388834 /nfs/dbraw/zinc/38/88/34/601388834.db2.gz HRFNDUHMHNVSQD-UHFFFAOYSA-N -1 0 293.279 2.310 20 5 CEBDRM C/C(=C\COC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000825781187 601407482 /nfs/dbraw/zinc/40/74/82/601407482.db2.gz RPJRWTBWNAONOD-VMPITWQZSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1c(COC(=O)[C@@H](C)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000832853453 602280449 /nfs/dbraw/zinc/28/04/49/602280449.db2.gz MJMAWRQEFVLPQJ-QMMMGPOBSA-N -1 0 281.264 2.057 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)NC(=O)[O-] ZINC000830138358 603443043 /nfs/dbraw/zinc/44/30/43/603443043.db2.gz SVNVEWCCTFBQNW-SECBINFHSA-N -1 0 267.285 2.361 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NCC(C)(C)NC(=O)[O-])c1 ZINC000829510102 603520327 /nfs/dbraw/zinc/52/03/27/603520327.db2.gz BJSGRPFQKCQAER-UHFFFAOYSA-N -1 0 283.284 2.062 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)[O-])C1 ZINC000825638024 604036178 /nfs/dbraw/zinc/03/61/78/604036178.db2.gz JCONEZHBSUBVIQ-GHMZBOCLSA-N -1 0 293.323 2.388 20 5 CEBDRM O=C([O-])CCN(C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000833232777 604351356 /nfs/dbraw/zinc/35/13/56/604351356.db2.gz LTNJAFKHCVSNOZ-LLVKDONJSA-N -1 0 294.307 2.055 20 5 CEBDRM CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000137494858 605014471 /nfs/dbraw/zinc/01/44/71/605014471.db2.gz SCAOBISNMTYGRG-UHFFFAOYSA-N -1 0 273.676 2.166 20 5 CEBDRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000827539188 605079057 /nfs/dbraw/zinc/07/90/57/605079057.db2.gz OHDVIWXCVNXZSI-KCJUWKMLSA-N -1 0 296.279 2.245 20 5 CEBDRM CC(C)C1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000833471398 605194573 /nfs/dbraw/zinc/19/45/73/605194573.db2.gz KSFOQDDDRDBUDH-UHFFFAOYSA-N -1 0 264.281 2.385 20 5 CEBDRM CCN(CCNc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000827150187 605477869 /nfs/dbraw/zinc/47/78/69/605477869.db2.gz ARGFEWKHYXHEAJ-UHFFFAOYSA-N -1 0 288.691 2.055 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000832392487 605481744 /nfs/dbraw/zinc/48/17/44/605481744.db2.gz WXBZLLNIEWTBBT-SECBINFHSA-N -1 0 299.714 2.090 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])s1 ZINC000825846004 605482477 /nfs/dbraw/zinc/48/24/77/605482477.db2.gz RUCZZICYCNMASH-HTQZYQBOSA-N -1 0 285.325 2.281 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000825846572 605491494 /nfs/dbraw/zinc/49/14/94/605491494.db2.gz WHIDPCUAQWZPIT-SCZZXKLOSA-N -1 0 297.286 2.359 20 5 CEBDRM Cc1ccc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000312569751 628311540 /nfs/dbraw/zinc/31/15/40/628311540.db2.gz SEVUWKFERIBMBY-WDEREUQCSA-N -1 0 278.308 2.450 20 5 CEBDRM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cccnc2Cl)[nH]1 ZINC000806563708 631753806 /nfs/dbraw/zinc/75/38/06/631753806.db2.gz XNYSLMJWYPECKY-ARJAWSKDSA-N -1 0 294.654 2.015 20 5 CEBDRM COc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)on1 ZINC000813242589 632654101 /nfs/dbraw/zinc/65/41/01/632654101.db2.gz SSVOJLHYQYIYFD-UHFFFAOYSA-N -1 0 297.654 2.497 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000899419849 632842113 /nfs/dbraw/zinc/84/21/13/632842113.db2.gz YEDYINGYBSXTQQ-QTKMDUPCSA-N -1 0 290.319 2.322 20 5 CEBDRM CC[C@H]1COCCN1c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910343409 638007638 /nfs/dbraw/zinc/00/76/38/638007638.db2.gz KXYNYWRRCRXKBO-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(N(C)CC(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910351031 638024050 /nfs/dbraw/zinc/02/40/50/638024050.db2.gz AABSIJMLZHCGEI-UHFFFAOYSA-N -1 0 274.223 2.303 20 5 CEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])s1 ZINC000910454245 638057613 /nfs/dbraw/zinc/05/76/13/638057613.db2.gz MWZQVVXEBZKTFR-FYBVGQRMSA-N -1 0 282.321 2.346 20 5 CEBDRM CSC[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837512219 639261591 /nfs/dbraw/zinc/26/15/91/639261591.db2.gz BQPHTOOBDYJJGI-MRVPVSSYSA-N -1 0 285.321 2.343 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NCCCCCC(=O)[O-])c1 ZINC000841504330 639778530 /nfs/dbraw/zinc/77/85/30/639778530.db2.gz DHYOTAQEVZFJBV-UHFFFAOYSA-N -1 0 267.285 2.234 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000062874824 639792613 /nfs/dbraw/zinc/79/26/13/639792613.db2.gz LVVKTWDYRIHZGG-ZDUSSCGKSA-N -1 0 279.296 2.071 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NC2CCOCC2)c([N+](=O)[O-])c1 ZINC000844208523 640632311 /nfs/dbraw/zinc/63/23/11/640632311.db2.gz QKYUJLSWSIBBQT-DUXPYHPUSA-N -1 0 292.291 2.284 20 5 CEBDRM CC[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O ZINC000844210721 640632668 /nfs/dbraw/zinc/63/26/68/640632668.db2.gz FRPLJRNYMAVMHP-CZVSDVRESA-N -1 0 294.307 2.264 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000844209148 640632671 /nfs/dbraw/zinc/63/26/71/640632671.db2.gz VGUPDFSHHBAWQN-SNVBAGLBSA-N -1 0 282.271 2.160 20 5 CEBDRM C[C@@H](O)CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211806 640633954 /nfs/dbraw/zinc/63/39/54/640633954.db2.gz ZUBZWGBQZXINRK-BREXMAIKSA-N -1 0 294.307 2.266 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)CC(=O)[O-] ZINC000844219527 640634836 /nfs/dbraw/zinc/63/48/36/640634836.db2.gz WBMMNFVWIQJCFD-MRVPVSSYSA-N -1 0 280.280 2.320 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1C1CCC1 ZINC000917345672 640876480 /nfs/dbraw/zinc/87/64/80/640876480.db2.gz FBKZADQNSQOVBH-UHFFFAOYSA-N -1 0 259.265 2.084 20 5 CEBDRM Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000846294398 641264250 /nfs/dbraw/zinc/26/42/50/641264250.db2.gz NBPPNQKMAZLPKX-NWDGAFQWSA-N -1 0 290.319 2.450 20 5 CEBDRM COCC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)C ZINC000757980175 644866993 /nfs/dbraw/zinc/86/69/93/644866993.db2.gz ITIKQRAJWMWXFC-JTQLQIEISA-N -1 0 270.285 2.141 20 5 CEBDRM O=C(Nc1n[nH]c2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780341487 647419453 /nfs/dbraw/zinc/41/94/53/647419453.db2.gz NMKWTVUHLUHRCH-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=[N+]([O-])c1c([O-])cc(O)cc1O[C@H]1CC(F)(F)C1(F)F ZINC001228973475 806370262 /nfs/dbraw/zinc/37/02/62/806370262.db2.gz IQUABUAYSNVCBL-ZETCQYMHSA-N -1 0 297.160 2.428 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](CF)C2)c1 ZINC000711523088 810082239 /nfs/dbraw/zinc/08/22/39/810082239.db2.gz TZZFSNYFPGROMF-VIFPVBQESA-N -1 0 282.271 2.479 20 5 CEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1ccccc1[N+](=O)[O-])CC2 ZINC000711599657 810085508 /nfs/dbraw/zinc/08/55/08/810085508.db2.gz SOMVHXWUXQNYJK-OCCSQVGLSA-N -1 0 276.292 2.428 20 5 CEBDRM O=C([O-])[C@]12CCC[C@H]1N(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000711593509 810085524 /nfs/dbraw/zinc/08/55/24/810085524.db2.gz HRFCVIAADWMRNV-OCCSQVGLSA-N -1 0 276.292 2.428 20 5 CEBDRM CC1(C)C[C@@H](COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC001123375620 815511418 /nfs/dbraw/zinc/51/14/18/815511418.db2.gz LRDFXTJVHFKEDT-VIFPVBQESA-N -1 0 282.296 2.285 20 5 CEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]Oc1ccc(F)cc1 ZINC001146543317 814295709 /nfs/dbraw/zinc/29/57/09/814295709.db2.gz VUJWQRJTEYKBBF-UHFFFAOYSA-N -1 0 290.250 2.387 20 5 CEBDRM Cc1cccc(N[C@H]2C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000693025998 814616502 /nfs/dbraw/zinc/61/65/02/814616502.db2.gz VUOKBYWDOQNCFT-KYZUINATSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C([O-])c1cc(Nc2cnc(Cl)cn2)cc([N+](=O)[O-])c1 ZINC001176673577 816454164 /nfs/dbraw/zinc/45/41/64/816454164.db2.gz WGUWJGJUHFKBSM-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM C[C@@H]1C[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141672282 816578363 /nfs/dbraw/zinc/57/83/63/816578363.db2.gz CHEZTGOYMGISIM-RNFRBKRXSA-N -1 0 284.699 2.340 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ocnc1C1CC1 ZINC000567651322 299071256 /nfs/dbraw/zinc/07/12/56/299071256.db2.gz PQLLAAUEGZIMQT-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM O=c1[n-]c(Sc2nc3ccccc3cc2[N+](=O)[O-])n[nH]1 ZINC000337943579 214323176 /nfs/dbraw/zinc/32/31/76/214323176.db2.gz MQJFZJIFBFFJEH-UHFFFAOYSA-N -1 0 289.276 2.118 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@H]1C(F)F ZINC000338183419 214436902 /nfs/dbraw/zinc/43/69/02/214436902.db2.gz JIKOEEDKSACJJK-RNFRBKRXSA-N -1 0 272.207 2.140 20 5 CEBDRM Cc1ncccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000072913527 343815045 /nfs/dbraw/zinc/81/50/45/343815045.db2.gz HQTOIGJIXRGBFS-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@@H](C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567979414 299104001 /nfs/dbraw/zinc/10/40/01/299104001.db2.gz LBDQTUXQZHVMAH-IUCAKERBSA-N -1 0 282.296 2.030 20 5 CEBDRM O=C([O-])c1cnc(NCCC2(F)CCC2)c([N+](=O)[O-])c1 ZINC000567983779 299104801 /nfs/dbraw/zinc/10/48/01/299104801.db2.gz RTJUQUGXFMPZGD-UHFFFAOYSA-N -1 0 283.259 2.382 20 5 CEBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406770 344187672 /nfs/dbraw/zinc/18/76/72/344187672.db2.gz VOQFZCRHUFUVNB-ZDUSSCGKSA-N -1 0 280.324 2.301 20 5 CEBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486781 344191443 /nfs/dbraw/zinc/19/14/43/344191443.db2.gz MHLDDGSTMPQVPX-GXFFZTMASA-N -1 0 280.324 2.300 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)CC(=O)[O-])c1 ZINC000147437250 344412230 /nfs/dbraw/zinc/41/22/30/344412230.db2.gz VLDZIVSCNPBXGE-VIFPVBQESA-N -1 0 252.270 2.426 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCC2)c1 ZINC000166679985 344476347 /nfs/dbraw/zinc/47/63/47/344476347.db2.gz FOXLIUHGOYGJEO-UHFFFAOYSA-N -1 0 280.280 2.270 20 5 CEBDRM C[C@H]1C[C@H](C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166653108 344476578 /nfs/dbraw/zinc/47/65/78/344476578.db2.gz BJGAYRBUBORIGL-IUCAKERBSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCS2)n1 ZINC000166811633 344476725 /nfs/dbraw/zinc/47/67/25/344476725.db2.gz DWDYCZKDTLSPAE-QMMMGPOBSA-N -1 0 297.336 2.386 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1F ZINC000586805242 345024043 /nfs/dbraw/zinc/02/40/43/345024043.db2.gz OAVRLCYMCSSXHJ-KWQFWETISA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(N[C@@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000589921267 345105388 /nfs/dbraw/zinc/10/53/88/345105388.db2.gz NLNFVFIZVRRYSW-SNVBAGLBSA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(S[C@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000514733277 313054484 /nfs/dbraw/zinc/05/44/84/313054484.db2.gz RKXAPILSKRLMSY-QMMMGPOBSA-N -1 0 283.305 2.482 20 5 CEBDRM Cc1cc(N2C[C@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592963928 345416720 /nfs/dbraw/zinc/41/67/20/345416720.db2.gz BGPHIOWGDUNCAB-UWVGGRQHSA-N -1 0 294.307 2.215 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC3(CCC3)C2)n1 ZINC000592973103 345417163 /nfs/dbraw/zinc/41/71/63/345417163.db2.gz WWVUHVDZUGKRHO-UHFFFAOYSA-N -1 0 291.307 2.377 20 5 CEBDRM COC(C)(C)CN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592978197 345417755 /nfs/dbraw/zinc/41/77/55/345417755.db2.gz YMDBYSFAQMFJEW-UHFFFAOYSA-N -1 0 296.323 2.463 20 5 CEBDRM O=C([O-])c1ccnc(N2CC[C@H](CC3CC3)C2)c1[N+](=O)[O-] ZINC000592979357 345417761 /nfs/dbraw/zinc/41/77/61/345417761.db2.gz ZPQFIQOWBARIOZ-SNVBAGLBSA-N -1 0 291.307 2.314 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](CCF)C2)n1 ZINC000594735663 345681644 /nfs/dbraw/zinc/68/16/44/345681644.db2.gz MNUHCLSONVZAKC-SECBINFHSA-N -1 0 297.286 2.264 20 5 CEBDRM Cc1cnc(NC[C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000595978296 345920647 /nfs/dbraw/zinc/92/06/47/345920647.db2.gz UFMMAWNBSMKONV-JTQLQIEISA-N -1 0 279.296 2.211 20 5 CEBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000180784844 232398760 /nfs/dbraw/zinc/39/87/60/232398760.db2.gz DABRCGGKMPIYKE-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597831310 346237108 /nfs/dbraw/zinc/23/71/08/346237108.db2.gz ZBADAFJOYTUROP-QWRGUYRKSA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1(F)F ZINC000598215522 346307698 /nfs/dbraw/zinc/30/76/98/346307698.db2.gz LXPCYEAQIDNZHR-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598551087 346373362 /nfs/dbraw/zinc/37/33/62/346373362.db2.gz PVISSHNALDSCDX-SECBINFHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000599750327 346576851 /nfs/dbraw/zinc/57/68/51/346576851.db2.gz JLOOOONOLACNMN-VXFNFUGZSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000600678578 346671889 /nfs/dbraw/zinc/67/18/89/346671889.db2.gz LMUJIZIVWACOOZ-GWCFXTLKSA-N -1 0 292.291 2.272 20 5 CEBDRM CCC[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OCC ZINC000600677402 346671951 /nfs/dbraw/zinc/67/19/51/346671951.db2.gz FBPALINBGYOHTD-VIFPVBQESA-N -1 0 297.311 2.305 20 5 CEBDRM CCC(F)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000600379643 346637224 /nfs/dbraw/zinc/63/72/24/346637224.db2.gz IYEPKKYCZJFZTB-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cn1)CCCCC2 ZINC000603921534 347398146 /nfs/dbraw/zinc/39/81/46/347398146.db2.gz UIEXVISLTQPVBE-SNVBAGLBSA-N -1 0 274.280 2.273 20 5 CEBDRM C[C@H](CSc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000086111133 179232920 /nfs/dbraw/zinc/23/29/20/179232920.db2.gz GTDIPHZLLLTRMK-RXMQYKEDSA-N -1 0 287.322 2.117 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCCCCCC(=O)[O-] ZINC000336838955 365910128 /nfs/dbraw/zinc/91/01/28/365910128.db2.gz OAINESMYNRHYJM-UHFFFAOYSA-N -1 0 284.316 2.177 20 5 CEBDRM CC(C)C1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000611080789 347737340 /nfs/dbraw/zinc/73/73/40/347737340.db2.gz FDOHWEGMPAKKRP-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM CCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000087489830 179433701 /nfs/dbraw/zinc/43/37/01/179433701.db2.gz OEKYBLSYJFIXKW-NSHDSACASA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1c[nH]nc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000619672687 349215255 /nfs/dbraw/zinc/21/52/55/349215255.db2.gz TUAWSEJAPBMRTK-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM Cc1ccnc(N2CCC[C@@H](CCC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000070495593 363091285 /nfs/dbraw/zinc/09/12/85/363091285.db2.gz RVWPJDAFDLLLDV-NSHDSACASA-N -1 0 293.323 2.379 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000134166586 366293500 /nfs/dbraw/zinc/29/35/00/366293500.db2.gz ILSUZGOHDBUBAW-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000038027297 304075188 /nfs/dbraw/zinc/07/51/88/304075188.db2.gz WOSCCPAJVZRKJF-JTQLQIEISA-N -1 0 264.281 2.428 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000148392837 366581327 /nfs/dbraw/zinc/58/13/27/366581327.db2.gz NVMFXXORWXISOX-SVRRBLITSA-N -1 0 285.687 2.308 20 5 CEBDRM CN(Cc1cccnc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339052066 366631600 /nfs/dbraw/zinc/63/16/00/366631600.db2.gz BMJPBVHUELIUBY-UHFFFAOYSA-N -1 0 273.292 2.327 20 5 CEBDRM CN(CCc1ccccn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339054655 366633121 /nfs/dbraw/zinc/63/31/21/366633121.db2.gz WIJUFQCGUWHERG-UHFFFAOYSA-N -1 0 287.319 2.370 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ncsc2C1 ZINC000339112883 366658228 /nfs/dbraw/zinc/65/82/28/366658228.db2.gz WMDAWAMZDSPEBB-UHFFFAOYSA-N -1 0 291.332 2.315 20 5 CEBDRM C[C@@H](CC(C)(C)O)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000571526645 299313991 /nfs/dbraw/zinc/31/39/91/299313991.db2.gz WVVIBZXBOHQXCL-VIFPVBQESA-N -1 0 296.323 2.183 20 5 CEBDRM CCOCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180780831 189274977 /nfs/dbraw/zinc/27/49/77/189274977.db2.gz HSVREVYFRIWINE-UHFFFAOYSA-N -1 0 288.687 2.319 20 5 CEBDRM CN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184772484 189395123 /nfs/dbraw/zinc/39/51/23/189395123.db2.gz VWCWHBIECVIPKD-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC[C@H](Sc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000097824099 364520459 /nfs/dbraw/zinc/52/04/59/364520459.db2.gz HRBLOMUTJBYMPC-YFKPBYRVSA-N -1 0 287.322 2.259 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000062133042 304122925 /nfs/dbraw/zinc/12/29/25/304122925.db2.gz QEAPDGLIOFZTQZ-SECBINFHSA-N -1 0 287.275 2.054 20 5 CEBDRM COCC1=CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000167745251 367343139 /nfs/dbraw/zinc/34/31/39/367343139.db2.gz WGOVFRNLMWCGIC-UHFFFAOYSA-N -1 0 292.291 2.076 20 5 CEBDRM C[C@@H]1CC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000166145838 367317571 /nfs/dbraw/zinc/31/75/71/367317571.db2.gz IFJJIZMGSJIYQF-ULKQDVFKSA-N -1 0 294.307 2.443 20 5 CEBDRM Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1[N+](=O)[O-] ZINC000172192602 367694953 /nfs/dbraw/zinc/69/49/53/367694953.db2.gz WPUNIEFFCXNWCF-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1c(CN=c2[n-]nc(C3CC3)o2)cccc1[N+](=O)[O-] ZINC000343218960 367710779 /nfs/dbraw/zinc/71/07/79/367710779.db2.gz USGIWEICKJPDBI-UHFFFAOYSA-N -1 0 274.280 2.198 20 5 CEBDRM O=C(Nc1cc(F)ccc1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182162255 368530576 /nfs/dbraw/zinc/53/05/76/368530576.db2.gz OGSKEWJDYADRLI-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182011099 368514700 /nfs/dbraw/zinc/51/47/00/368514700.db2.gz PQXRYRIIGZGVQB-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1ncc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000186028061 368908043 /nfs/dbraw/zinc/90/80/43/368908043.db2.gz NIPMQPWIWFRZEI-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631790 203061713 /nfs/dbraw/zinc/06/17/13/203061713.db2.gz GNYSWTYGVFQFRH-NXEZZACHSA-N -1 0 293.323 2.112 20 5 CEBDRM COC(C)(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187247225 369128455 /nfs/dbraw/zinc/12/84/55/369128455.db2.gz FQLGIAHRJSLBFW-VIFPVBQESA-N -1 0 296.323 2.234 20 5 CEBDRM CCCc1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000349142027 369249477 /nfs/dbraw/zinc/24/94/77/369249477.db2.gz GUDVDHLLJZCVQL-UHFFFAOYSA-N -1 0 280.259 2.103 20 5 CEBDRM CC1(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000355470038 370563843 /nfs/dbraw/zinc/56/38/43/370563843.db2.gz YNUKNDNJWPSDPH-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CCc1ccc(C(=O)N(CC)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000236819353 370634592 /nfs/dbraw/zinc/63/45/92/370634592.db2.gz GWNZIYLDAVLGAS-UHFFFAOYSA-N -1 0 294.307 2.094 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000262155159 296166552 /nfs/dbraw/zinc/16/65/52/296166552.db2.gz RRJCFJBPLFZGGF-RXMQYKEDSA-N -1 0 276.195 2.081 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H]1C1CC1 ZINC000361283874 371758687 /nfs/dbraw/zinc/75/86/87/371758687.db2.gz KSERSAUTWCUAKW-NSHDSACASA-N -1 0 276.292 2.315 20 5 CEBDRM CCC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269284755 372406745 /nfs/dbraw/zinc/40/67/45/372406745.db2.gz NCISXRGGIPFPBV-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272606498 373578504 /nfs/dbraw/zinc/57/85/04/373578504.db2.gz VHUNULLGAATWNJ-VIFPVBQESA-N -1 0 284.337 2.172 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc([C@H]3CCCO3)no2)c1 ZINC000275021195 374128397 /nfs/dbraw/zinc/12/83/97/374128397.db2.gz TTWWRHGZALNOFG-SNVBAGLBSA-N -1 0 277.236 2.202 20 5 CEBDRM CC[C@H](CSC)N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000383783211 375205286 /nfs/dbraw/zinc/20/52/86/375205286.db2.gz LHSJQSDHKAWFRY-MRVPVSSYSA-N -1 0 299.352 2.266 20 5 CEBDRM CC(C)SCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286779809 376062444 /nfs/dbraw/zinc/06/24/44/376062444.db2.gz QVGSKCJICVRFKC-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000287413684 376227036 /nfs/dbraw/zinc/22/70/36/376227036.db2.gz ZPIOMOZFIUCFNY-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM CC1=C(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)SCCO1 ZINC000287765755 376311384 /nfs/dbraw/zinc/31/13/84/376311384.db2.gz JIZOCLVGHBALKC-UHFFFAOYSA-N -1 0 296.304 2.234 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000290618273 376853204 /nfs/dbraw/zinc/85/32/04/376853204.db2.gz KQVGVGSGXBDZMH-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2F)n1 ZINC000563213970 377130213 /nfs/dbraw/zinc/13/02/13/377130213.db2.gz JSDGVRRWXQFAIA-HTQZYQBOSA-N -1 0 283.259 2.381 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000563274602 377150997 /nfs/dbraw/zinc/15/09/97/377150997.db2.gz QMBLVXQPJBFUIW-GFCCVEGCSA-N -1 0 294.307 2.043 20 5 CEBDRM C[C@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000564731220 377441413 /nfs/dbraw/zinc/44/14/13/377441413.db2.gz CHULJKQVRSWDJD-CQSZACIVSA-N -1 0 294.307 2.203 20 5 CEBDRM CC[C@@H](O)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000565034757 377538230 /nfs/dbraw/zinc/53/82/30/377538230.db2.gz JMUJMVSYVBFMPJ-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)CC(=O)[O-])n1 ZINC000565041228 377540239 /nfs/dbraw/zinc/54/02/39/377540239.db2.gz OYHIYAWUXZKAFW-ZETCQYMHSA-N -1 0 267.285 2.129 20 5 CEBDRM O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565025165 377534369 /nfs/dbraw/zinc/53/43/69/377534369.db2.gz PILXMCDLOZCEAW-SRSLHRDFSA-N -1 0 296.710 2.482 20 5 CEBDRM C[C@H](CN(C)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000042703812 249298807 /nfs/dbraw/zinc/29/88/07/249298807.db2.gz LONYZQFIXVRKKR-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000443369003 378049634 /nfs/dbraw/zinc/04/96/34/378049634.db2.gz BOXQWACVNCVVHO-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(COCC1CCCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000456002994 379276290 /nfs/dbraw/zinc/27/62/90/379276290.db2.gz OGOYQQVPNRNQIA-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM CCC(=O)c1ccc(NC[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000517571834 379368611 /nfs/dbraw/zinc/36/86/11/379368611.db2.gz FUPZHMIFXFFEBX-MRVPVSSYSA-N -1 0 280.280 2.320 20 5 CEBDRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458151693 380024314 /nfs/dbraw/zinc/02/43/14/380024314.db2.gz XUCKGOSIPQEITH-GXTWGEPZSA-N -1 0 278.308 2.465 20 5 CEBDRM CC1(C)CC(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000547728758 380459932 /nfs/dbraw/zinc/45/99/32/380459932.db2.gz BVDKGENUMBMAMO-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000288150888 197014947 /nfs/dbraw/zinc/01/49/47/197014947.db2.gz XWZIHKOEDQCJOA-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(NCc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130270921 394885034 /nfs/dbraw/zinc/88/50/34/394885034.db2.gz WJBZOFUXHSHRPJ-UHFFFAOYSA-N -1 0 272.260 2.230 20 5 CEBDRM Cc1ccoc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436701491 395146544 /nfs/dbraw/zinc/14/65/44/395146544.db2.gz DSIJFJXPFDQLID-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CC1(C)C(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000436966888 395168448 /nfs/dbraw/zinc/16/84/48/395168448.db2.gz RGHGSRQYUOYBMA-UHFFFAOYSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436992301 395171104 /nfs/dbraw/zinc/17/11/04/395171104.db2.gz WJZVDEMJZHEIAC-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC1(CCNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436993023 395171641 /nfs/dbraw/zinc/17/16/41/395171641.db2.gz ZUUHCSSEQUEDMK-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CCOC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000191445953 395359724 /nfs/dbraw/zinc/35/97/24/395359724.db2.gz GQUVVPHWSKVPAA-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1cc(N2CCOC(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565954895 395492578 /nfs/dbraw/zinc/49/25/78/395492578.db2.gz XNAFXTKXYBXANR-UHFFFAOYSA-N -1 0 294.307 2.217 20 5 CEBDRM CC[C@H](C)[C@@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000573688998 395615617 /nfs/dbraw/zinc/61/56/17/395615617.db2.gz ZDTKDTDIHOLJMM-UFBFGSQYSA-N -1 0 282.296 2.112 20 5 CEBDRM C/C=C/C[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568094407 395547799 /nfs/dbraw/zinc/54/77/99/395547799.db2.gz FFNFQHDQTQXYSZ-PBKGFPTLSA-N -1 0 280.280 2.032 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000458132575 395638445 /nfs/dbraw/zinc/63/84/45/395638445.db2.gz SNAYSQXNBAYFMN-VHSXEESVSA-N -1 0 264.281 2.075 20 5 CEBDRM Cc1cc(NC[C@@H](C)CCCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574881149 395639570 /nfs/dbraw/zinc/63/95/70/395639570.db2.gz SLGSGJXSJUPELJ-VIFPVBQESA-N -1 0 296.323 2.422 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000263264392 154043918 /nfs/dbraw/zinc/04/39/18/154043918.db2.gz KMOLIJODTVFOKU-UFFNRZRYSA-N -1 0 292.291 2.052 20 5 CEBDRM CN(CCC(=O)[O-])c1c(Cl)cccc1[N+](=O)[O-] ZINC000263409599 154079341 /nfs/dbraw/zinc/07/93/41/154079341.db2.gz LXENDRUYGYXJKP-UHFFFAOYSA-N -1 0 258.661 2.159 20 5 CEBDRM CCC(=O)c1ccc(N[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263440938 154088455 /nfs/dbraw/zinc/08/84/55/154088455.db2.gz WXMHAPUCZOHWIE-SSDOTTSWSA-N -1 0 266.253 2.073 20 5 CEBDRM CC(C)CO[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000548190452 298399565 /nfs/dbraw/zinc/39/95/65/298399565.db2.gz IYOONGZKYANVGS-VIFPVBQESA-N -1 0 282.296 2.300 20 5 CEBDRM O=C(N[C@@H]1C=CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164931154 162341049 /nfs/dbraw/zinc/34/10/49/162341049.db2.gz MAQYMWWXRAERAQ-SNVBAGLBSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)[O-] ZINC000178238865 165228615 /nfs/dbraw/zinc/22/86/15/165228615.db2.gz HSNJFMKDCPONTI-ZCFIWIBFSA-N -1 0 294.288 2.012 20 5 CEBDRM O=C([O-])[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021035084 171292252 /nfs/dbraw/zinc/29/22/52/171292252.db2.gz PNJBZRPABXPUGW-NSHDSACASA-N -1 0 293.279 2.066 20 5 CEBDRM CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000035095469 171973684 /nfs/dbraw/zinc/97/36/84/171973684.db2.gz OBNOLKHECRYCPT-SSDOTTSWSA-N -1 0 286.309 2.030 20 5 CEBDRM O=C([O-])c1ccc(CNc2ccccc2[N+](=O)[O-])o1 ZINC000071381072 176144918 /nfs/dbraw/zinc/14/49/18/176144918.db2.gz ZEJWCHPZTIPELT-UHFFFAOYSA-N -1 0 262.221 2.498 20 5 CEBDRM O=C([O-])c1ccc(CNCc2cccc([N+](=O)[O-])c2)o1 ZINC000071396275 176150145 /nfs/dbraw/zinc/15/01/45/176150145.db2.gz QHKUXGINCQJHGO-UHFFFAOYSA-N -1 0 276.248 2.176 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078838818 177397131 /nfs/dbraw/zinc/39/71/31/177397131.db2.gz GWYMGPQUZMKHJR-UHFFFAOYSA-N -1 0 296.279 2.043 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)[C@@H]2C)n1 ZINC000521629451 260197399 /nfs/dbraw/zinc/19/73/99/260197399.db2.gz NVZPMMMAFWBVTE-SFGNSQDASA-N -1 0 293.323 2.477 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436985185 271698441 /nfs/dbraw/zinc/69/84/41/271698441.db2.gz DBLPTXQRWYSCGE-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CCc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000132883780 279985466 /nfs/dbraw/zinc/98/54/66/279985466.db2.gz PXCMZUDBSPOANV-UHFFFAOYSA-N -1 0 265.225 2.299 20 5 CEBDRM C[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424275072 281141425 /nfs/dbraw/zinc/14/14/25/281141425.db2.gz ZKOANCFZIURQHM-KWQFWETISA-N -1 0 284.337 2.341 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436868995 281409242 /nfs/dbraw/zinc/40/92/42/281409242.db2.gz BPZRBENLLIJWSL-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1c([N-]S(=O)(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000437673090 281423825 /nfs/dbraw/zinc/42/38/25/281423825.db2.gz KNUBDQMASOYHKN-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM COCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000457674460 289809228 /nfs/dbraw/zinc/80/92/28/289809228.db2.gz QRYZULGZXNTKPZ-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM CN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194903786 289859466 /nfs/dbraw/zinc/85/94/66/289859466.db2.gz ABOAWYGJZALOPU-AWEZNQCLSA-N -1 0 299.286 2.497 20 5 CEBDRM Cc1ccc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263247330 301631377 /nfs/dbraw/zinc/63/13/77/301631377.db2.gz SJGPONQQUQATNT-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ccc(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263247332 301631396 /nfs/dbraw/zinc/63/13/96/301631396.db2.gz SJGPONQQUQATNT-MNOVXSKESA-N -1 0 278.308 2.450 20 5 CEBDRM CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000519827917 313120806 /nfs/dbraw/zinc/12/08/06/313120806.db2.gz WNYCGMJBJARNND-CYBMUJFWSA-N -1 0 294.307 2.154 20 5 CEBDRM Cc1cc(N(C)C[C@@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568751439 313976420 /nfs/dbraw/zinc/97/64/20/313976420.db2.gz CGBJAYZSWRGPCK-JTQLQIEISA-N -1 0 294.307 2.074 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C)C2)n1 ZINC000575127076 314208050 /nfs/dbraw/zinc/20/80/50/314208050.db2.gz YIABITKDVVCJEX-BDAKNGLRSA-N -1 0 293.323 2.479 20 5 CEBDRM COC(C)(C)C[C@H](C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579248299 314565903 /nfs/dbraw/zinc/56/59/03/314565903.db2.gz RMILNVHZLJOJCI-QMMMGPOBSA-N -1 0 297.311 2.304 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(F)F ZINC000389565105 321891636 /nfs/dbraw/zinc/89/16/36/321891636.db2.gz RWLPCKRMWGFTOY-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cccc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000580773842 322342574 /nfs/dbraw/zinc/34/25/74/322342574.db2.gz KSTMRTIRWOPLEK-KOLCDFICSA-N -1 0 278.308 2.450 20 5 CEBDRM CCCC[C@H](Sc1ncc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000581321637 322387750 /nfs/dbraw/zinc/38/77/50/322387750.db2.gz SFCPDXCSRFVTQO-VIFPVBQESA-N -1 0 285.325 2.429 20 5 CEBDRM Cc1cc(NC[C@@H](CO)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582549319 322482470 /nfs/dbraw/zinc/48/24/70/322482470.db2.gz WFQJNCRHUFBMKR-JTQLQIEISA-N -1 0 294.307 2.032 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000583264960 322535290 /nfs/dbraw/zinc/53/52/90/322535290.db2.gz BSEQQEWJFRVYFU-AWEZNQCLSA-N -1 0 293.323 2.298 20 5 CEBDRM C[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211848388 326865848 /nfs/dbraw/zinc/86/58/48/326865848.db2.gz YYEMOVULMQVACZ-MRVPVSSYSA-N -1 0 250.254 2.139 20 5 CEBDRM COC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000395969566 329298993 /nfs/dbraw/zinc/29/89/93/329298993.db2.gz OFBPROBWUICUQD-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@](C)(C(=O)[O-])C1 ZINC000062933456 525566519 /nfs/dbraw/zinc/56/65/19/525566519.db2.gz LTUJQCHWDPBIGE-ZDUSSCGKSA-N -1 0 264.281 2.204 20 5 CEBDRM O=c1[n-]c(Sc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000192752162 534882898 /nfs/dbraw/zinc/88/28/98/534882898.db2.gz FFSLQMURPSACHM-UHFFFAOYSA-N -1 0 272.673 2.223 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCOCC1 ZINC000369488938 527235862 /nfs/dbraw/zinc/23/58/62/527235862.db2.gz BAUSEYJJGWHKHT-VIFPVBQESA-N -1 0 280.280 2.056 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263211621 535799995 /nfs/dbraw/zinc/79/99/95/535799995.db2.gz WTHMZLVVBQAUCI-LLVKDONJSA-N -1 0 294.307 2.311 20 5 CEBDRM O=C([O-])NC[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000740631670 574473717 /nfs/dbraw/zinc/47/37/17/574473717.db2.gz YOTSECMSYBFESV-SKDRFNHKSA-N -1 0 279.296 2.443 20 5 CEBDRM C[C@@H](C(=O)[N-]OCC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000759328292 574516113 /nfs/dbraw/zinc/51/61/13/574516113.db2.gz PKZNAFNUSMGTDV-ZCFIWIBFSA-N -1 0 292.213 2.150 20 5 CEBDRM CC(C)C[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000736428933 574787904 /nfs/dbraw/zinc/78/79/04/574787904.db2.gz YNJQSJJUSPFDFE-GFCCVEGCSA-N -1 0 295.291 2.180 20 5 CEBDRM C[C@@H](CSCCOc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000736613026 574792981 /nfs/dbraw/zinc/79/29/81/574792981.db2.gz HHNUWKQHFXLJAG-VIFPVBQESA-N -1 0 285.321 2.428 20 5 CEBDRM CCO[C@H](CC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737157919 574813385 /nfs/dbraw/zinc/81/33/85/574813385.db2.gz PHUGUBSUQBBCRH-LLVKDONJSA-N -1 0 296.279 2.047 20 5 CEBDRM O=C([O-])CCCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000738582857 574869018 /nfs/dbraw/zinc/86/90/18/574869018.db2.gz REVYMDIMTACIFQ-YVMONPNESA-N -1 0 279.248 2.016 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)CCSCC(=O)[O-] ZINC000738664685 574873128 /nfs/dbraw/zinc/87/31/28/574873128.db2.gz LGDQMFMNBDMMBG-UHFFFAOYSA-N -1 0 299.304 2.017 20 5 CEBDRM CCN(CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000739400987 574916447 /nfs/dbraw/zinc/91/64/47/574916447.db2.gz VNKKFTYCPGRRBW-SECBINFHSA-N -1 0 296.279 2.199 20 5 CEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000739559481 574926037 /nfs/dbraw/zinc/92/60/37/574926037.db2.gz OUFNPKFDMIKUNA-SFYZADRCSA-N -1 0 299.666 2.012 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000739586884 574927822 /nfs/dbraw/zinc/92/78/22/574927822.db2.gz JUQPGKFOXCEMPH-SNVBAGLBSA-N -1 0 299.352 2.231 20 5 CEBDRM O=C([O-])N1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740505939 574956941 /nfs/dbraw/zinc/95/69/41/574956941.db2.gz GXDUACQJEVGZSR-QMMMGPOBSA-N -1 0 285.687 2.412 20 5 CEBDRM O=C([O-])N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740597338 574960909 /nfs/dbraw/zinc/96/09/09/574960909.db2.gz ARXIHOZVLVQSKR-ZETCQYMHSA-N -1 0 285.687 2.095 20 5 CEBDRM O=C([O-])CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000821535492 597464478 /nfs/dbraw/zinc/46/44/78/597464478.db2.gz OBBQNAVBDFTCAX-UHFFFAOYSA-N -1 0 273.248 2.153 20 5 CEBDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)[O-] ZINC000820405391 598019792 /nfs/dbraw/zinc/01/97/92/598019792.db2.gz IGYJIWFMFNDXMI-SSDOTTSWSA-N -1 0 299.304 2.337 20 5 CEBDRM O=C([O-])[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000833162970 600820365 /nfs/dbraw/zinc/82/03/65/600820365.db2.gz CUSPOKGJMBSJOR-NSHDSACASA-N -1 0 287.275 2.270 20 5 CEBDRM CC(C)C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000826821062 600953788 /nfs/dbraw/zinc/95/37/88/600953788.db2.gz XGMGBSLABRNOMW-LLVKDONJSA-N -1 0 299.254 2.390 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147226 600995280 /nfs/dbraw/zinc/99/52/80/600995280.db2.gz WVCJXVJNUPSMTQ-JOYOIKCWSA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(C(=O)[O-])C1 ZINC000832905479 601199265 /nfs/dbraw/zinc/19/92/65/601199265.db2.gz OKMVUAMQCRQGEC-JTQLQIEISA-N -1 0 279.296 2.458 20 5 CEBDRM CCC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000829039163 601286429 /nfs/dbraw/zinc/28/64/29/601286429.db2.gz NJJNGQLVESEGTC-UHFFFAOYSA-N -1 0 278.264 2.422 20 5 CEBDRM C/C(=C/COC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000825775394 601406629 /nfs/dbraw/zinc/40/66/29/601406629.db2.gz QSKJKDANLZJKLA-UITAMQMPSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000094659104 601562787 /nfs/dbraw/zinc/56/27/87/601562787.db2.gz VUAYRXNSDOOWEL-VHSXEESVSA-N -1 0 264.281 2.060 20 5 CEBDRM CC(=O)c1ccc(N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263424002 601864456 /nfs/dbraw/zinc/86/44/56/601864456.db2.gz QOAVWRFTGHORHU-CQSZACIVSA-N -1 0 292.291 2.098 20 5 CEBDRM C[C@@H](CC(=O)[O-])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000827274097 602197008 /nfs/dbraw/zinc/19/70/08/602197008.db2.gz VYOZTVZHBXJEDP-VIFPVBQESA-N -1 0 294.307 2.057 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000829510574 603189757 /nfs/dbraw/zinc/18/97/57/603189757.db2.gz KHOVPYCFANJLIK-VIFPVBQESA-N -1 0 295.295 2.158 20 5 CEBDRM CC(C)(CNc1ccc([N+](=O)[O-])s1)NC(=O)[O-] ZINC000824011593 603521131 /nfs/dbraw/zinc/52/11/31/603521131.db2.gz VIGMPHWYWYLVFT-UHFFFAOYSA-N -1 0 259.287 2.114 20 5 CEBDRM C[C@H](CNC(=O)[O-])N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000824967906 603891817 /nfs/dbraw/zinc/89/18/17/603891817.db2.gz XCRFAPMNGOVXKN-SSDOTTSWSA-N -1 0 287.703 2.341 20 5 CEBDRM Cc1ccc(OC(=O)[C@@H](C)CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000830401686 604253709 /nfs/dbraw/zinc/25/37/09/604253709.db2.gz ZPWMSZWYSPLTQU-VIFPVBQESA-N -1 0 296.279 2.055 20 5 CEBDRM O=C([O-])CCN(C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000833232778 604351125 /nfs/dbraw/zinc/35/11/25/604351125.db2.gz LTNJAFKHCVSNOZ-NSHDSACASA-N -1 0 294.307 2.055 20 5 CEBDRM CC[C@H](OC(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000833646989 605015255 /nfs/dbraw/zinc/01/52/55/605015255.db2.gz WGOXBZRXSMQIFF-QMMMGPOBSA-N -1 0 287.655 2.268 20 5 CEBDRM CC(C)(C)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000833429999 605238364 /nfs/dbraw/zinc/23/83/64/605238364.db2.gz ROYSBAVBTYZJAE-MRVPVSSYSA-N -1 0 285.252 2.234 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cc(F)cc([N+](=O)[O-])c2)O1 ZINC000833580509 605238446 /nfs/dbraw/zinc/23/84/46/605238446.db2.gz QOLVRLJYKRUVFH-NSHDSACASA-N -1 0 297.238 2.260 20 5 CEBDRM Cc1ccc(N2CCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830346970 605343075 /nfs/dbraw/zinc/34/30/75/605343075.db2.gz LRXWOPSBXZWFRN-SNVBAGLBSA-N -1 0 279.296 2.140 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000833818961 605498772 /nfs/dbraw/zinc/49/87/72/605498772.db2.gz RGJNJHVMRVEATR-DTWKUNHWSA-N -1 0 297.286 2.216 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000833820672 605499355 /nfs/dbraw/zinc/49/93/55/605499355.db2.gz ZJOLGLJWVYNUDM-RKDXNWHRSA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)[C@H](C)NC(=O)[O-] ZINC000833907921 605541212 /nfs/dbraw/zinc/54/12/12/605541212.db2.gz XCHFSJFHPWNAIN-DTWKUNHWSA-N -1 0 296.279 2.164 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F ZINC000834222532 605646222 /nfs/dbraw/zinc/64/62/22/605646222.db2.gz ZBUUXOJOYNWDBE-JTQLQIEISA-N -1 0 297.286 2.360 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCCN2C(=O)[O-])c1 ZINC000833907513 605754797 /nfs/dbraw/zinc/75/47/97/605754797.db2.gz KWJWTRNMENFVDO-UHFFFAOYSA-N -1 0 251.242 2.008 20 5 CEBDRM O=C([O-])NC[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000834216208 605948495 /nfs/dbraw/zinc/94/84/95/605948495.db2.gz QVDFKVGXCKXLOY-MRVPVSSYSA-N -1 0 285.325 2.140 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000834101781 605991604 /nfs/dbraw/zinc/99/16/04/605991604.db2.gz ADLXYMCVDRGXFF-SSDOTTSWSA-N -1 0 271.298 2.211 20 5 CEBDRM CS[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119076657 627936222 /nfs/dbraw/zinc/93/62/22/627936222.db2.gz RUVCRWDERNAWDR-VHSXEESVSA-N -1 0 296.348 2.314 20 5 CEBDRM CS[C@H]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000119076755 627936415 /nfs/dbraw/zinc/93/64/15/627936415.db2.gz RUVCRWDERNAWDR-UWVGGRQHSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000312385875 628249729 /nfs/dbraw/zinc/24/97/29/628249729.db2.gz NBBMJPNUZIRIDQ-MRVPVSSYSA-N -1 0 286.234 2.443 20 5 CEBDRM C[C@H]1CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]1C ZINC000312407140 628257703 /nfs/dbraw/zinc/25/77/03/628257703.db2.gz FLMYGIFBGBNHJS-IUCAKERBSA-N -1 0 279.296 2.313 20 5 CEBDRM O=C([O-])c1cc(C(=O)OCCC2CC2)cc([N+](=O)[O-])c1 ZINC000833297616 637722396 /nfs/dbraw/zinc/72/23/96/637722396.db2.gz HMDSIUHBGGGZDD-UHFFFAOYSA-N -1 0 279.248 2.250 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2C2CC2)n1 ZINC000910356523 638014141 /nfs/dbraw/zinc/01/41/41/638014141.db2.gz CHRNAZYDCCYRTR-NSHDSACASA-N -1 0 291.307 2.375 20 5 CEBDRM CCCCOCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837532279 639269809 /nfs/dbraw/zinc/26/98/09/639269809.db2.gz TYYFDKNMXJOSBJ-UHFFFAOYSA-N -1 0 283.280 2.160 20 5 CEBDRM CC(C)[C@]1(C(=O)[O-])CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000844217246 640634958 /nfs/dbraw/zinc/63/49/58/640634958.db2.gz FNRKXAFUWXUPTN-AWEZNQCLSA-N -1 0 293.323 2.114 20 5 CEBDRM Cc1ccc([C@H](C)NC(=O)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000844248620 640644815 /nfs/dbraw/zinc/64/48/15/640644815.db2.gz CKIAWSZJMLSDRT-JTQLQIEISA-N -1 0 294.307 2.335 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000844930515 640869027 /nfs/dbraw/zinc/86/90/27/640869027.db2.gz OCBSNRJCMIJZPU-JTQLQIEISA-N -1 0 280.280 2.097 20 5 CEBDRM COC[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957594 641214520 /nfs/dbraw/zinc/21/45/20/641214520.db2.gz WZMHCTKGWVLZDR-RNEXMXFGSA-N -1 0 280.280 2.139 20 5 CEBDRM C[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC(C)(C)C1=O ZINC000847933568 641839035 /nfs/dbraw/zinc/83/90/35/641839035.db2.gz VHPYSQYSGAPMSC-BDAKNGLRSA-N -1 0 294.307 2.474 20 5 CEBDRM CC1(OCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000770855891 646446605 /nfs/dbraw/zinc/44/66/05/646446605.db2.gz HXOCWALLQUUOAX-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM CC(=O)c1cc(N[C@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000863479116 646738778 /nfs/dbraw/zinc/73/87/78/646738778.db2.gz XNWWPJYCSHMNBY-JTQLQIEISA-N -1 0 290.275 2.383 20 5 CEBDRM CS[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000779668937 647337866 /nfs/dbraw/zinc/33/78/66/647337866.db2.gz CLEKODATKSMGJI-WPRPVWTQSA-N -1 0 296.348 2.314 20 5 CEBDRM CSCC[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780531707 647440044 /nfs/dbraw/zinc/44/00/44/647440044.db2.gz GIGMKBXXZLSQHR-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000442234342 807384964 /nfs/dbraw/zinc/38/49/64/807384964.db2.gz OMDFHPFJMCUZFA-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM O=C(NCCC1CC=CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000724402684 811042342 /nfs/dbraw/zinc/04/23/42/811042342.db2.gz CVNCHPASCAPDCJ-UHFFFAOYSA-N -1 0 276.292 2.387 20 5 CEBDRM Nc1cccnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502645 816029051 /nfs/dbraw/zinc/02/90/51/816029051.db2.gz WIROZIQUNGJNMQ-UHFFFAOYSA-N -1 0 274.236 2.014 20 5 CEBDRM O=C([O-])c1ccc(Nc2cscn2)cc1[N+](=O)[O-] ZINC001174503584 816030200 /nfs/dbraw/zinc/03/02/00/816030200.db2.gz RKRTWLWPGKIMQH-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnncc2Cl)cc1[N+](=O)[O-] ZINC001174503884 816030346 /nfs/dbraw/zinc/03/03/46/816030346.db2.gz ZWFXNMUADGCELE-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM Cn1ncc(Cl)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672674 816452721 /nfs/dbraw/zinc/45/27/21/816452721.db2.gz MUTLBNPHNFGUGR-UHFFFAOYSA-N -1 0 296.670 2.424 20 5 CEBDRM O=C([O-])c1cc(Nc2ccc[nH]c2=O)cc([N+](=O)[O-])c1 ZINC001176672558 816453012 /nfs/dbraw/zinc/45/30/12/816453012.db2.gz MIQVBLVFVNFUMX-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM O=C([O-])c1cc(Nc2nonc2C2CC2)cc([N+](=O)[O-])c1 ZINC001176671904 816453021 /nfs/dbraw/zinc/45/30/21/816453021.db2.gz DMBUNJUWROATTC-UHFFFAOYSA-N -1 0 290.235 2.297 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n(C)n1 ZINC001176673595 816453857 /nfs/dbraw/zinc/45/38/57/816453857.db2.gz XBLQWGRGORTVHT-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM O=C([O-])CSc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084430 361808499 /nfs/dbraw/zinc/80/84/99/361808499.db2.gz OWHJHZGBFTWMPW-UHFFFAOYSA-N -1 0 264.262 2.320 20 5 CEBDRM CCC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000036337522 361840814 /nfs/dbraw/zinc/84/08/14/361840814.db2.gz KFTJLDKVWQCYNB-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031373 362014623 /nfs/dbraw/zinc/01/46/23/362014623.db2.gz DLBPHOVWUSISHZ-PRHODGIISA-N -1 0 294.307 2.132 20 5 CEBDRM C[C@@H]1CCc2[n-]n(-c3ccc([N+](=O)[O-])cn3)c(=O)c2C1 ZINC000601931456 346929442 /nfs/dbraw/zinc/92/94/42/346929442.db2.gz FKAXGAFVSMEICN-PSASIEDQSA-N -1 0 274.280 2.129 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c([C@H]2CCOC2)cc1=O ZINC000601943142 346935970 /nfs/dbraw/zinc/93/59/70/346935970.db2.gz PFLFPSQWUAAOAJ-JTQLQIEISA-N -1 0 289.291 2.032 20 5 CEBDRM COCCN(CC(C)C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044412315 343471316 /nfs/dbraw/zinc/47/13/16/343471316.db2.gz AJUOLRRUWPRYMB-UHFFFAOYSA-N -1 0 296.323 2.402 20 5 CEBDRM CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC000567969031 299102410 /nfs/dbraw/zinc/10/24/10/299102410.db2.gz KHKAWQYNENSUBM-UHFFFAOYSA-N -1 0 280.280 2.164 20 5 CEBDRM O=[N+]([O-])c1cccc(-c2ccc(CN=c3[n-]nco3)o2)c1 ZINC000351545159 219120594 /nfs/dbraw/zinc/12/05/94/219120594.db2.gz LHCQMNLBLAUETF-UHFFFAOYSA-N -1 0 286.247 2.272 20 5 CEBDRM CN(CCOCC1CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093818452 344230081 /nfs/dbraw/zinc/23/00/81/344230081.db2.gz GWNHUIYZFSBBSH-UHFFFAOYSA-N -1 0 280.324 2.159 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000119371169 344295216 /nfs/dbraw/zinc/29/52/16/344295216.db2.gz OQFDMXDLHBMMMJ-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000133724169 344370004 /nfs/dbraw/zinc/37/00/04/344370004.db2.gz ISBXZUHOCIKHIU-JTQLQIEISA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cccc(N2CCC[C@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134884696 344377974 /nfs/dbraw/zinc/37/79/74/344377974.db2.gz UHDMIJZZIPIQKW-SNVBAGLBSA-N -1 0 294.307 2.295 20 5 CEBDRM CCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCOCC1 ZINC000275100504 282341720 /nfs/dbraw/zinc/34/17/20/282341720.db2.gz JUNJDGYTNAMVQF-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM CC1=CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000230813240 344573829 /nfs/dbraw/zinc/57/38/29/344573829.db2.gz BHXVTSVKEQZZOV-UHFFFAOYSA-N -1 0 262.265 2.449 20 5 CEBDRM CCC(CC)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225801771 344547426 /nfs/dbraw/zinc/54/74/26/344547426.db2.gz UIYBCEPNHKAICN-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM O=C([O-])CCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000302678491 344704315 /nfs/dbraw/zinc/70/43/15/344704315.db2.gz OQHNOQNWGPENLT-UHFFFAOYSA-N -1 0 256.233 2.401 20 5 CEBDRM CC1(C2(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CC1 ZINC000590884381 345194386 /nfs/dbraw/zinc/19/43/86/345194386.db2.gz BKLXYCRABADURD-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000590912967 345198456 /nfs/dbraw/zinc/19/84/56/345198456.db2.gz CBEQMYKHTROIEP-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000592903516 345413692 /nfs/dbraw/zinc/41/36/92/345413692.db2.gz PSETZQSKEWHPMM-LPEHRKFASA-N -1 0 276.292 2.219 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000592904204 345414425 /nfs/dbraw/zinc/41/44/25/345414425.db2.gz WTVMILPMIZVHAK-OPRDCNLKSA-N -1 0 276.292 2.219 20 5 CEBDRM CC(C)[C@H](O)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592973913 345417082 /nfs/dbraw/zinc/41/70/82/345417082.db2.gz JCSUZHJGWDKOJN-GFCCVEGCSA-N -1 0 282.296 2.112 20 5 CEBDRM Cc1cc(N[C@H]2CCC[C@@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969268 345417132 /nfs/dbraw/zinc/41/71/32/345417132.db2.gz PAQQXOFROUEGLN-GXSJLCMTSA-N -1 0 294.307 2.317 20 5 CEBDRM CO[C@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592975452 345417711 /nfs/dbraw/zinc/41/77/11/345417711.db2.gz QGKFESGVMVXRTH-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000592980903 345418417 /nfs/dbraw/zinc/41/84/17/345418417.db2.gz HUVNDQNEDRHJLH-NSHDSACASA-N -1 0 270.310 2.347 20 5 CEBDRM CN(CC(F)F)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592763081 345394524 /nfs/dbraw/zinc/39/45/24/345394524.db2.gz WFHGJESQLPUCPA-UHFFFAOYSA-N -1 0 294.641 2.291 20 5 CEBDRM C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CC(F)F ZINC000592825895 345400599 /nfs/dbraw/zinc/40/05/99/345400599.db2.gz JTWXKVYHDWZVBM-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593290846 345463320 /nfs/dbraw/zinc/46/33/20/345463320.db2.gz JELOPZRFYCWULN-LLVKDONJSA-N -1 0 294.307 2.130 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NC2(CC(=O)[O-])CCC2)n1 ZINC000593328531 345467051 /nfs/dbraw/zinc/46/70/51/345467051.db2.gz RHMANVZLLSNYLO-UHFFFAOYSA-N -1 0 279.296 2.416 20 5 CEBDRM CCC(CC)(C(=O)[O-])C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000593920138 345552439 /nfs/dbraw/zinc/55/24/39/345552439.db2.gz GVYGABXJFQLWBQ-UHFFFAOYSA-N -1 0 294.307 2.102 20 5 CEBDRM COCC1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000593947495 345554969 /nfs/dbraw/zinc/55/49/69/345554969.db2.gz UEFTZVPIZBAUPW-UHFFFAOYSA-N -1 0 280.280 2.132 20 5 CEBDRM CN(CC1=CCSC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000595280692 345753749 /nfs/dbraw/zinc/75/37/49/345753749.db2.gz VYDFNAQTINMDHW-UHFFFAOYSA-N -1 0 294.332 2.402 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CCC[C@H](CC(=O)[O-])C1 ZINC000595965306 345918619 /nfs/dbraw/zinc/91/86/19/345918619.db2.gz CDHXSNZGEYRCQT-SNVBAGLBSA-N -1 0 294.307 2.295 20 5 CEBDRM O=C([O-])CCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000595968464 345919119 /nfs/dbraw/zinc/91/91/19/345919119.db2.gz QZXRWDOTFBMGPD-UHFFFAOYSA-N -1 0 297.286 2.210 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(=O)[O-])C1CCC1 ZINC000595978519 345920640 /nfs/dbraw/zinc/92/06/40/345920640.db2.gz XGUKLPOUHQKJPV-LLVKDONJSA-N -1 0 279.296 2.211 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000596026926 345925237 /nfs/dbraw/zinc/92/52/37/345925237.db2.gz SCHIEAYHVSFDHJ-VIFPVBQESA-N -1 0 279.296 2.170 20 5 CEBDRM CC(C)CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273278723 192097856 /nfs/dbraw/zinc/09/78/56/192097856.db2.gz IDYAFLWABXBKJT-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM CC1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000598777998 346417721 /nfs/dbraw/zinc/41/77/21/346417721.db2.gz FPCAIRPMMRMSIH-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM CCO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000599713508 346573147 /nfs/dbraw/zinc/57/31/47/346573147.db2.gz JCDDHIQJDTXZSD-LBPRGKRZSA-N -1 0 280.280 2.054 20 5 CEBDRM CO[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000600838442 346699072 /nfs/dbraw/zinc/69/90/72/346699072.db2.gz BYDXACQIUXBGST-SNVBAGLBSA-N -1 0 296.323 2.186 20 5 CEBDRM Cc1cc(N2CCC(C(=O)[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC000336840725 365913103 /nfs/dbraw/zinc/91/31/03/365913103.db2.gz QNPQSVJGQAJJQV-UHFFFAOYSA-N -1 0 282.271 2.343 20 5 CEBDRM O=C(Nc1ccc2nccn2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556589 347794035 /nfs/dbraw/zinc/79/40/35/347794035.db2.gz OWNUBNYZJDYGAE-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM Cc1noc(C)c1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000611567859 347795197 /nfs/dbraw/zinc/79/51/97/347795197.db2.gz YHMWZBBIXPPXPX-UHFFFAOYSA-N -1 0 291.263 2.182 20 5 CEBDRM Cc1csc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000357808333 233149905 /nfs/dbraw/zinc/14/99/05/233149905.db2.gz SKSFERIBRCJFOP-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000569120524 299182936 /nfs/dbraw/zinc/18/29/36/299182936.db2.gz XYKHOVBCHBLNBT-PSASIEDQSA-N -1 0 284.337 2.199 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CCC[C@H]2F)n1 ZINC000569248537 299191582 /nfs/dbraw/zinc/19/15/82/299191582.db2.gz RVOKTBNESBCQCD-BDAKNGLRSA-N -1 0 283.259 2.299 20 5 CEBDRM CO[C@@](C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000292144045 198180009 /nfs/dbraw/zinc/18/00/09/198180009.db2.gz MENVIZIDEWSQAC-CYBMUJFWSA-N -1 0 280.280 2.054 20 5 CEBDRM CCOC1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000292215974 198205952 /nfs/dbraw/zinc/20/59/52/198205952.db2.gz QIIKMFHZNWSQCE-UHFFFAOYSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C([O-])C1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000071173443 304042615 /nfs/dbraw/zinc/04/26/15/304042615.db2.gz KCDHHADCKQKVMG-UHFFFAOYSA-N -1 0 290.197 2.134 20 5 CEBDRM CC1=CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272708623 191877497 /nfs/dbraw/zinc/87/74/97/191877497.db2.gz WWELUJRFJRSOCS-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM CCOc1cccc(N(C)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000134883823 366367900 /nfs/dbraw/zinc/36/79/00/366367900.db2.gz DDAISCCVFRFYLM-VIFPVBQESA-N -1 0 282.296 2.150 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)F ZINC000452241761 283227968 /nfs/dbraw/zinc/22/79/68/283227968.db2.gz CLQPNEMMJAPGRZ-ZETCQYMHSA-N -1 0 274.223 2.074 20 5 CEBDRM CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)F ZINC000452265685 283235873 /nfs/dbraw/zinc/23/58/73/283235873.db2.gz QBBLEAKNNGNYIH-QMMMGPOBSA-N -1 0 274.223 2.074 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C(C)C)C2)n1 ZINC000579359588 366633324 /nfs/dbraw/zinc/63/33/24/366633324.db2.gz QOGIVKNSLSNLAZ-JTQLQIEISA-N -1 0 293.323 2.479 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000019282205 361525018 /nfs/dbraw/zinc/52/50/18/361525018.db2.gz JKTMZQKPGFUFOU-PRHODGIISA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1c(C(=O)NCCCCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000019405051 361530396 /nfs/dbraw/zinc/53/03/96/361530396.db2.gz KNABYVYNLSRVHX-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM CCCn1nccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031769789 361718824 /nfs/dbraw/zinc/71/88/24/361718824.db2.gz AQTXIMSFMYXAAY-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM CC[C@@H](Nc1ccc(C(C)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000571983249 299337756 /nfs/dbraw/zinc/33/77/56/299337756.db2.gz IDWPITCURIKAFP-SECBINFHSA-N -1 0 266.253 2.073 20 5 CEBDRM O=C(CCc1ccco1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092549217 364080948 /nfs/dbraw/zinc/08/09/48/364080948.db2.gz PTICEXXCKQIZOH-UHFFFAOYSA-N -1 0 276.248 2.465 20 5 CEBDRM O=C([O-])CC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000094291344 364264886 /nfs/dbraw/zinc/26/48/86/364264886.db2.gz SLJXWSFRKLYYRF-UHFFFAOYSA-N -1 0 250.254 2.404 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000094659203 364287606 /nfs/dbraw/zinc/28/76/06/364287606.db2.gz JREUQIWBUVFFME-VHSXEESVSA-N -1 0 264.281 2.203 20 5 CEBDRM COc1cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000097066069 364438449 /nfs/dbraw/zinc/43/84/49/364438449.db2.gz MZGPDHYMKIRLAA-DTWKUNHWSA-N -1 0 280.280 2.269 20 5 CEBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])n1ccnc1 ZINC000582379074 366903311 /nfs/dbraw/zinc/90/33/11/366903311.db2.gz CJSXFULPULNYAZ-VIFPVBQESA-N -1 0 290.279 2.087 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000572367796 299361413 /nfs/dbraw/zinc/36/14/13/299361413.db2.gz JSEYLKBBGQWVMH-WPRPVWTQSA-N -1 0 279.296 2.392 20 5 CEBDRM O=C([O-])c1cnc(N[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000162448423 367160339 /nfs/dbraw/zinc/16/03/39/367160339.db2.gz IXNCKGOGWJBULN-SECBINFHSA-N -1 0 263.253 2.209 20 5 CEBDRM CS[C@@H](C)CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166161577 367319385 /nfs/dbraw/zinc/31/93/85/367319385.db2.gz XENKJDXHTGVADB-ZETCQYMHSA-N -1 0 270.310 2.381 20 5 CEBDRM CC(C)SCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345526948 368312431 /nfs/dbraw/zinc/31/24/31/368312431.db2.gz IFRZPMBTKIPIFJ-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC[C@H](C)OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182089238 368524008 /nfs/dbraw/zinc/52/40/08/368524008.db2.gz LTGPSOOSUFIMQS-QMMMGPOBSA-N -1 0 268.269 2.054 20 5 CEBDRM Cc1c(NC(=O)c2cc(C(=O)[O-])co2)cccc1[N+](=O)[O-] ZINC000183804159 368650939 /nfs/dbraw/zinc/65/09/39/368650939.db2.gz KEJPZQLBDRRZBM-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000192225660 369782795 /nfs/dbraw/zinc/78/27/95/369782795.db2.gz DJVFHVDRVNSXAB-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])sn1 ZINC000354518214 370395945 /nfs/dbraw/zinc/39/59/45/370395945.db2.gz UQODJOPHZDZRPL-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2[nH]cnc21 ZINC000356284220 370641404 /nfs/dbraw/zinc/64/14/04/370641404.db2.gz SQWAGHUMCLYVDR-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262786001 371907950 /nfs/dbraw/zinc/90/79/50/371907950.db2.gz JSUPDIJHJQAVFE-JTQLQIEISA-N -1 0 292.291 2.069 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000262827770 371911336 /nfs/dbraw/zinc/91/13/36/371911336.db2.gz QTDYQJJKFPMPQR-UFFNRZRYSA-N -1 0 292.291 2.052 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269143269 372355633 /nfs/dbraw/zinc/35/56/33/372355633.db2.gz OEMSIQCJMHGOAS-MRVPVSSYSA-N -1 0 252.270 2.075 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269278344 372405155 /nfs/dbraw/zinc/40/51/55/372405155.db2.gz KELCFFMPTFPTIX-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000362736268 372508914 /nfs/dbraw/zinc/50/89/14/372508914.db2.gz MIWGMYXSCDEPII-QMMMGPOBSA-N -1 0 274.280 2.277 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000380370973 375163485 /nfs/dbraw/zinc/16/34/85/375163485.db2.gz UZKVHSXTSXOPIW-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(C)(F)F ZINC000389565705 375305304 /nfs/dbraw/zinc/30/53/04/375305304.db2.gz VJAUPHPVWWIEIS-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C2CCC1CC2 ZINC000398885994 375354528 /nfs/dbraw/zinc/35/45/28/375354528.db2.gz WVMIBRLTBFHKMH-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM Cc1cc(N(C)C[C@@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563207181 377126046 /nfs/dbraw/zinc/12/60/46/377126046.db2.gz VQMFECAOHCBVAP-JTQLQIEISA-N -1 0 294.307 2.074 20 5 CEBDRM CC(C)[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330454923 377142186 /nfs/dbraw/zinc/14/21/86/377142186.db2.gz NQASUAYZSCKUGV-CQSZACIVSA-N -1 0 280.324 2.157 20 5 CEBDRM CO[C@H](C)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565035496 377537617 /nfs/dbraw/zinc/53/76/17/377537617.db2.gz ITMXAJYCJHHNQE-SECBINFHSA-N -1 0 282.296 2.059 20 5 CEBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000170563222 249323160 /nfs/dbraw/zinc/32/31/60/249323160.db2.gz XCYFOZVDCSKEMV-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM CC(F)(F)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000295984161 378381119 /nfs/dbraw/zinc/38/11/19/378381119.db2.gz PZOPPPROBILORW-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280967830 195051254 /nfs/dbraw/zinc/05/12/54/195051254.db2.gz OARQMJGCWFAKAA-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM CSCCCN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000281798067 195385652 /nfs/dbraw/zinc/38/56/52/195385652.db2.gz WAXXCRDNCGHBEF-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000179392951 533279525 /nfs/dbraw/zinc/27/95/25/533279525.db2.gz CIADZLXFBPOEBP-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CSC1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC1 ZINC000194637920 130707879 /nfs/dbraw/zinc/70/78/79/130707879.db2.gz SDANIZFTCGQTPG-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@]12C[C@@H]1CCC2 ZINC000421792811 394596754 /nfs/dbraw/zinc/59/67/54/394596754.db2.gz RDXPPISKSKUPMB-SDBXPKJASA-N -1 0 262.265 2.429 20 5 CEBDRM C[C@@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1(F)F ZINC000421797027 394598628 /nfs/dbraw/zinc/59/86/28/394598628.db2.gz ANSGZOXVYRZKKA-JTQLQIEISA-N -1 0 272.207 2.284 20 5 CEBDRM CC[C@H](C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000421910161 394636454 /nfs/dbraw/zinc/63/64/54/394636454.db2.gz HTALJKXVKIIHKX-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM CC1=C(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000280271002 394846593 /nfs/dbraw/zinc/84/65/93/394846593.db2.gz QZAKEEHJRSZINT-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cnns1 ZINC000194359373 395433361 /nfs/dbraw/zinc/43/33/61/395433361.db2.gz QDNROISPKKRJKX-UHFFFAOYSA-N -1 0 278.293 2.315 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000444471919 395434079 /nfs/dbraw/zinc/43/40/79/395434079.db2.gz BJQSCJIMYDYECZ-BDAKNGLRSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000565718535 395482086 /nfs/dbraw/zinc/48/20/86/395482086.db2.gz NUSAUHVVNGIGEZ-AWEZNQCLSA-N -1 0 294.307 2.060 20 5 CEBDRM C[C@H]1CC[C@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575062411 395645432 /nfs/dbraw/zinc/64/54/32/395645432.db2.gz KIWXTRNRIHEVSM-YUMQZZPRSA-N -1 0 265.269 2.065 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H]1C ZINC000153779347 296540724 /nfs/dbraw/zinc/54/07/24/296540724.db2.gz UVOSZSXTDGSUQN-ZJUUUORDSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1CCC[C@@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166761235 297465973 /nfs/dbraw/zinc/46/59/73/297465973.db2.gz RQRAJNNIHNOEES-YUMQZZPRSA-N -1 0 265.269 2.289 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360225392 155245404 /nfs/dbraw/zinc/24/54/04/155245404.db2.gz JIWSFJKFWJTOOI-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316452 153297868 /nfs/dbraw/zinc/29/78/68/153297868.db2.gz ZKNKWKOYGWOHOC-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM Cc1sc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000262606677 153967141 /nfs/dbraw/zinc/96/71/41/153967141.db2.gz KOBBHVLFJOEMEH-LURJTMIESA-N -1 0 298.320 2.042 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263227741 154037426 /nfs/dbraw/zinc/03/74/26/154037426.db2.gz AXNPKSKIVMCNEQ-PGLGOXFNSA-N -1 0 292.291 2.052 20 5 CEBDRM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000361660447 155639957 /nfs/dbraw/zinc/63/99/57/155639957.db2.gz KMEOAKGNVLPJLH-SKDRFNHKSA-N -1 0 280.280 2.197 20 5 CEBDRM COC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000559019324 298610948 /nfs/dbraw/zinc/61/09/48/298610948.db2.gz QTKYCEFMXMGZGE-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM Cc1[nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2[O-])sc1C ZINC000022611208 171394051 /nfs/dbraw/zinc/39/40/51/171394051.db2.gz IEYUKDGZPSTNJA-UHFFFAOYSA-N -1 0 293.304 2.048 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077253470 177242775 /nfs/dbraw/zinc/24/27/75/177242775.db2.gz BDKXODZQKSRJOT-JTQLQIEISA-N -1 0 284.699 2.297 20 5 CEBDRM CC(C)(CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000078879888 177399888 /nfs/dbraw/zinc/39/98/88/177399888.db2.gz WVHZAYCZIBNENV-UHFFFAOYSA-N -1 0 284.243 2.173 20 5 CEBDRM COCCCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397189526 270351097 /nfs/dbraw/zinc/35/10/97/270351097.db2.gz IXYHZHJEHZEMKN-UHFFFAOYSA-N -1 0 282.296 2.156 20 5 CEBDRM Cc1c([N-]S(=O)(=O)c2cccnc2)cccc1[N+](=O)[O-] ZINC000135677263 280052499 /nfs/dbraw/zinc/05/24/99/280052499.db2.gz ALKNQGGUJPAEMF-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000399519787 280707801 /nfs/dbraw/zinc/70/78/01/280707801.db2.gz CDXRYORPUKDDAM-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000157548645 281223456 /nfs/dbraw/zinc/22/34/56/281223456.db2.gz KUYSRIOZWKGIIV-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC1(C)C ZINC000331923799 288922149 /nfs/dbraw/zinc/92/21/49/288922149.db2.gz FYYXDEUWUZTRKT-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(NCCCC1CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000152568055 289092711 /nfs/dbraw/zinc/09/27/11/289092711.db2.gz RXAZTMOCVDVRCB-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM Cc1ncsc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000487431513 290345732 /nfs/dbraw/zinc/34/57/32/290345732.db2.gz QKSIEDSLHCMTAY-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccccc2[N+](=O)[O-])C1 ZINC000263218972 297344164 /nfs/dbraw/zinc/34/41/64/297344164.db2.gz OQMZGRMEGBOYNG-ZJUUUORDSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1sc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000237695817 302879882 /nfs/dbraw/zinc/87/98/82/302879882.db2.gz PEWWXNNDNLBTGV-MRVPVSSYSA-N -1 0 298.320 2.044 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000517385245 313109610 /nfs/dbraw/zinc/10/96/10/313109610.db2.gz RFQCVMCIWHLFCY-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2cccc([N+](=O)[O-])c2)ncn1 ZINC000532803491 313359238 /nfs/dbraw/zinc/35/92/38/313359238.db2.gz WWCLBQGBLWXKSM-SNAWJCMRSA-N -1 0 271.232 2.253 20 5 CEBDRM O=C([O-])Cc1ccc(NCCCCF)c([N+](=O)[O-])c1 ZINC000565036372 313792063 /nfs/dbraw/zinc/79/20/63/313792063.db2.gz RAGWNPJCFJDNIT-UHFFFAOYSA-N -1 0 270.260 2.384 20 5 CEBDRM C[C@H](C[C@H]1CCCO1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568396402 313950920 /nfs/dbraw/zinc/95/09/20/313950920.db2.gz HDMDDAGFFCRQNK-RKDXNWHRSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000573447235 314157760 /nfs/dbraw/zinc/15/77/60/314157760.db2.gz DAAQRNIYXTWCQG-BREBYQMCSA-N -1 0 292.291 2.272 20 5 CEBDRM CO[C@H](C)[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000576163138 314248677 /nfs/dbraw/zinc/24/86/77/314248677.db2.gz AQRCDMHXHSVAQJ-RKDXNWHRSA-N -1 0 282.296 2.437 20 5 CEBDRM CCCN(CC)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576946414 314326030 /nfs/dbraw/zinc/32/60/30/314326030.db2.gz MJYUYJUQJIONNQ-UHFFFAOYSA-N -1 0 267.285 2.233 20 5 CEBDRM CC[C@H](COC)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577874836 314423851 /nfs/dbraw/zinc/42/38/51/314423851.db2.gz BKCFGIIRLYWBSR-SECBINFHSA-N -1 0 282.296 2.438 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000386848782 321874395 /nfs/dbraw/zinc/87/43/95/321874395.db2.gz AMOILLIFIBQYTE-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C2(CCC2)C1 ZINC000583701071 322563011 /nfs/dbraw/zinc/56/30/11/322563011.db2.gz BPFCABCFWLZGCD-UHFFFAOYSA-N -1 0 290.319 2.388 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2CCO)c1 ZINC000566292323 501071778 /nfs/dbraw/zinc/07/17/78/501071778.db2.gz SJUFWPJKVNHNFY-GXSJLCMTSA-N -1 0 294.307 2.256 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCC2(CC2)C1 ZINC000184107765 526628800 /nfs/dbraw/zinc/62/88/00/526628800.db2.gz SASLFPDUTCLFRP-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157871349 529313563 /nfs/dbraw/zinc/31/35/63/529313563.db2.gz DBOFBWWKUPYPIY-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM O=Cc1ccc(-c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000874972451 649877799 /nfs/dbraw/zinc/87/77/99/649877799.db2.gz CTRBFGLTNFANBX-UHFFFAOYSA-N -1 0 275.216 2.294 20 5 CEBDRM CN(CCNc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000739700697 574505421 /nfs/dbraw/zinc/50/54/21/574505421.db2.gz GCFBOEPKURCGDK-UHFFFAOYSA-N -1 0 290.279 2.165 20 5 CEBDRM C[C@@H](CC(=O)[O-])Sc1nc2ccccn2c1[N+](=O)[O-] ZINC000736555171 574791996 /nfs/dbraw/zinc/79/19/96/574791996.db2.gz BVMXBWXUNGLFEJ-ZETCQYMHSA-N -1 0 281.293 2.198 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739556252 574926129 /nfs/dbraw/zinc/92/61/29/574926129.db2.gz GUAHQRMBQBOGEC-IUCAKERBSA-N -1 0 299.666 2.012 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C(=O)[O-])C1 ZINC000740175903 574945512 /nfs/dbraw/zinc/94/55/12/574945512.db2.gz UXSPIYJGAFHFSV-VIFPVBQESA-N -1 0 265.269 2.067 20 5 CEBDRM CC1(C)[C@@H]2OCCC[C@@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000744183039 575116129 /nfs/dbraw/zinc/11/61/29/575116129.db2.gz JBFYQJHKLIGSOI-AXTRIDKLSA-N -1 0 294.307 2.283 20 5 CEBDRM C[C@H](SCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000739053855 597070147 /nfs/dbraw/zinc/07/01/47/597070147.db2.gz UOWBNOBGCHJDPU-LURJTMIESA-N -1 0 281.293 2.177 20 5 CEBDRM C/C(=C\COc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000088629597 601097627 /nfs/dbraw/zinc/09/76/27/601097627.db2.gz MAEUUWWITYMFLS-VMPITWQZSA-N -1 0 251.238 2.313 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1OCc1cc(C(=O)[O-])co1 ZINC000051329560 599804620 /nfs/dbraw/zinc/80/46/20/599804620.db2.gz JQGMYVPXSUFBEX-UHFFFAOYSA-N -1 0 293.231 2.474 20 5 CEBDRM O=C([O-])c1ccc2c(c1)CN(c1ccc([N+](=O)[O-])cn1)C2 ZINC000156619509 600006359 /nfs/dbraw/zinc/00/63/59/600006359.db2.gz LNDVNGNHAZIKKX-UHFFFAOYSA-N -1 0 285.259 2.208 20 5 CEBDRM O=Cc1ccc([N+](=O)[O-])c(OCc2ccoc2C(=O)[O-])c1 ZINC000833359695 600838101 /nfs/dbraw/zinc/83/81/01/600838101.db2.gz HVEOMMJFMPLKLH-UHFFFAOYSA-N -1 0 291.215 2.278 20 5 CEBDRM C/C(=C/COc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000214646910 601097942 /nfs/dbraw/zinc/09/79/42/601097942.db2.gz MAEUUWWITYMFLS-YVMONPNESA-N -1 0 251.238 2.313 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000111471764 601146866 /nfs/dbraw/zinc/14/68/66/601146866.db2.gz ABFRBHJWCSYTSE-VHSXEESVSA-N -1 0 292.291 2.424 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NCc2ccon2)c([N+](=O)[O-])c1 ZINC000833197240 601335296 /nfs/dbraw/zinc/33/52/96/601335296.db2.gz NFVZZGMGRVBLAB-DUXPYHPUSA-N -1 0 289.247 2.293 20 5 CEBDRM C/C(=C/COC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000825774730 601420559 /nfs/dbraw/zinc/42/05/59/601420559.db2.gz GZRASBAZOYFSMC-UITAMQMPSA-N -1 0 279.248 2.091 20 5 CEBDRM C[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000251710504 601562716 /nfs/dbraw/zinc/56/27/16/601562716.db2.gz JJHFKOKVJOTQLQ-IONNQARKSA-N -1 0 284.699 2.405 20 5 CEBDRM Cc1ccc([C@H](C)NC(=O)[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000832920862 602190298 /nfs/dbraw/zinc/19/02/98/602190298.db2.gz IHAFIWQQBTXKSA-ZJUUUORDSA-N -1 0 294.307 2.191 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000829510146 603191635 /nfs/dbraw/zinc/19/16/35/603191635.db2.gz CFZFJJZWAFNEQS-SECBINFHSA-N -1 0 295.295 2.158 20 5 CEBDRM COc1cc(NCC(C)(C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000829198388 603520251 /nfs/dbraw/zinc/52/02/51/603520251.db2.gz VVYNYDDENMXSSM-UHFFFAOYSA-N -1 0 283.284 2.062 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000830426675 603552877 /nfs/dbraw/zinc/55/28/77/603552877.db2.gz ABTZTRSCBUMJFF-LLVKDONJSA-N -1 0 293.323 2.339 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](NC(=O)[O-])C1 ZINC000830138133 604216807 /nfs/dbraw/zinc/21/68/07/604216807.db2.gz LNIMJQPNKZYTSG-JTQLQIEISA-N -1 0 279.296 2.140 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000827900033 604220944 /nfs/dbraw/zinc/22/09/44/604220944.db2.gz NKCKWXZZMZWGHC-VIFPVBQESA-N -1 0 299.714 2.437 20 5 CEBDRM Cn1cc(Nc2ncc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833052556 604460814 /nfs/dbraw/zinc/46/08/14/604460814.db2.gz ADNUSVXEKMTHJW-UHFFFAOYSA-N -1 0 296.670 2.424 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000263381161 604825351 /nfs/dbraw/zinc/82/53/51/604825351.db2.gz CMSIUQSTDFYYBA-MRVPVSSYSA-N -1 0 298.270 2.044 20 5 CEBDRM CC1(C)C[C@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833557540 605066464 /nfs/dbraw/zinc/06/64/64/605066464.db2.gz XCUSFDZIGPOODQ-JTQLQIEISA-N -1 0 278.264 2.278 20 5 CEBDRM O=C([O-])N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000834076842 605379319 /nfs/dbraw/zinc/37/93/19/605379319.db2.gz DEKFKXGLCBCMKA-SECBINFHSA-N -1 0 265.269 2.007 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1F ZINC000825844851 605487806 /nfs/dbraw/zinc/48/78/06/605487806.db2.gz MQAMBSTXAOASQN-IUCAKERBSA-N -1 0 297.286 2.359 20 5 CEBDRM O=C([O-])C1CN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000236418234 625643791 /nfs/dbraw/zinc/64/37/91/625643791.db2.gz KZKSCQFMSNQBKW-UHFFFAOYSA-N -1 0 291.090 2.422 20 5 CEBDRM CN(CCC(=O)[O-])c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000234301558 623567707 /nfs/dbraw/zinc/56/77/07/623567707.db2.gz FYUCTAKRXICOKM-UHFFFAOYSA-N -1 0 276.651 2.298 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCCCCC2)n1 ZINC000166660631 624748462 /nfs/dbraw/zinc/74/84/62/624748462.db2.gz LNJRPOFSXWFOBW-UHFFFAOYSA-N -1 0 279.296 2.459 20 5 CEBDRM C[C@H]1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000311676031 627687675 /nfs/dbraw/zinc/68/76/75/627687675.db2.gz ZIJNEBVUDPWHGL-JGVFFNPUSA-N -1 0 265.269 2.289 20 5 CEBDRM Cc1nn(Cc2cc([O-])ccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000821052724 634614929 /nfs/dbraw/zinc/61/49/29/634614929.db2.gz PYPVZDDGMBCXAL-UHFFFAOYSA-N -1 0 292.251 2.070 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899408656 632838311 /nfs/dbraw/zinc/83/83/11/632838311.db2.gz YZWSSCPSKMXLOP-NUGNTBJXSA-N -1 0 290.319 2.322 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000830475478 637079536 /nfs/dbraw/zinc/07/95/36/637079536.db2.gz UXGFBSAXZCTCDL-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000834653279 637905916 /nfs/dbraw/zinc/90/59/16/637905916.db2.gz AJDWVAVVQBLTLM-WCBMZHEXSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000910406080 638031011 /nfs/dbraw/zinc/03/10/11/638031011.db2.gz KLEBAMXMSFKAEY-JTQLQIEISA-N -1 0 287.275 2.054 20 5 CEBDRM CCO[C@H](CC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837466040 639240758 /nfs/dbraw/zinc/24/07/58/639240758.db2.gz JMOJRTMFEYSFNT-GFCCVEGCSA-N -1 0 283.280 2.159 20 5 CEBDRM CC1(OCC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000837590243 639296986 /nfs/dbraw/zinc/29/69/86/639296986.db2.gz LUKJOIQIHLKBGH-UHFFFAOYSA-N -1 0 295.291 2.303 20 5 CEBDRM CC[C@H](CNc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000087509758 639666510 /nfs/dbraw/zinc/66/65/10/639666510.db2.gz MSGPWZKUCDIFQQ-SSDOTTSWSA-N -1 0 256.233 2.257 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000841505051 639778148 /nfs/dbraw/zinc/77/81/48/639778148.db2.gz SNNVDENJLIOEJZ-VIFPVBQESA-N -1 0 293.304 2.258 20 5 CEBDRM CC1(C)[C@@H]2CN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000844210040 640632733 /nfs/dbraw/zinc/63/27/33/640632733.db2.gz PLOHBNZPMSVAIT-PHIMTYICSA-N -1 0 290.319 2.314 20 5 CEBDRM CC(=O)Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000916999440 640836616 /nfs/dbraw/zinc/83/66/16/640836616.db2.gz CRAGARIFLGIXBI-UHFFFAOYSA-N -1 0 289.247 2.101 20 5 CEBDRM O=C(NOc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000773460733 642733973 /nfs/dbraw/zinc/73/39/73/642733973.db2.gz IKPSRJRKGFZLAV-UHFFFAOYSA-N -1 0 274.232 2.024 20 5 CEBDRM O=C(N[C@H]1C=CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000855436202 644353652 /nfs/dbraw/zinc/35/36/52/644353652.db2.gz WUMVXPCDOCAXMY-QMMMGPOBSA-N -1 0 282.683 2.402 20 5 CEBDRM CS/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770858548 646446931 /nfs/dbraw/zinc/44/69/31/646446931.db2.gz UZOYBRWDFSCGLH-PLNGDYQASA-N -1 0 254.267 2.116 20 5 CEBDRM O=C(COc1ccccc1[N+](=O)[O-])[N-]Oc1ccccc1 ZINC000774274655 646827863 /nfs/dbraw/zinc/82/78/63/646827863.db2.gz HQEBPRNIKLXAKQ-UHFFFAOYSA-N -1 0 288.259 2.084 20 5 CEBDRM CSC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000775316795 646938791 /nfs/dbraw/zinc/93/87/91/646938791.db2.gz CTCHVWPEFNMZRV-UHFFFAOYSA-N -1 0 258.299 2.221 20 5 CEBDRM CCc1cnc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000785068138 647904782 /nfs/dbraw/zinc/90/47/82/647904782.db2.gz LXLSABHHFSAMHD-UHFFFAOYSA-N -1 0 281.293 2.299 20 5 CEBDRM CCOC(=O)[C@H](CC)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000789473937 648307057 /nfs/dbraw/zinc/30/70/57/648307057.db2.gz ZUWRGKGUCGTIDV-DTWKUNHWSA-N -1 0 298.295 2.058 20 5 CEBDRM O=C(Cc1cccc(F)c1[N+](=O)[O-])NOCC1CCC1 ZINC000869305769 648407916 /nfs/dbraw/zinc/40/79/16/648407916.db2.gz SZSMSEWQDCDBTF-UHFFFAOYSA-N -1 0 282.271 2.124 20 5 CEBDRM Cc1[nH]nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1Cl ZINC000790981958 648468013 /nfs/dbraw/zinc/46/80/13/648468013.db2.gz FNWDBBWJXSGXJO-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000869602680 648529847 /nfs/dbraw/zinc/52/98/47/648529847.db2.gz SPNCHVRSWARATH-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM Nc1ccc(NCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000794401721 648862854 /nfs/dbraw/zinc/86/28/54/648862854.db2.gz RVRBZUXNAHLGCL-UHFFFAOYSA-N -1 0 287.275 2.487 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871520545 649095687 /nfs/dbraw/zinc/09/56/87/649095687.db2.gz CSSCMVGROFFBPG-PHIMTYICSA-N -1 0 288.303 2.339 20 5 CEBDRM Cc1ccnc(N2CC[C@]3(C(=O)[O-])CCC[C@H]23)c1[N+](=O)[O-] ZINC000871868228 649203310 /nfs/dbraw/zinc/20/33/10/649203310.db2.gz WPLAEGKKWKJTCW-IINYFYTJSA-N -1 0 291.307 2.132 20 5 CEBDRM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001141973520 805935984 /nfs/dbraw/zinc/93/59/84/805935984.db2.gz LAAHGTXZAULRMH-BXKDBHETSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](CF)C1 ZINC000711468507 810073940 /nfs/dbraw/zinc/07/39/40/810073940.db2.gz IPXJORBIVFQLTQ-VIFPVBQESA-N -1 0 282.271 2.122 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](CF)C1 ZINC000711466912 810074383 /nfs/dbraw/zinc/07/43/83/810074383.db2.gz CTDDBNNOEWNTIL-VIFPVBQESA-N -1 0 282.271 2.122 20 5 CEBDRM C[C@@H]1CCC[C@H](C)N1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000217316265 813327230 /nfs/dbraw/zinc/32/72/30/813327230.db2.gz ULICVJLFUBRONB-AOOOYVTPSA-N -1 0 293.323 2.208 20 5 CEBDRM Cc1cc(N[C@@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000694983906 803601378 /nfs/dbraw/zinc/60/13/78/803601378.db2.gz HAEMKPBSHMIDJA-LLVKDONJSA-N -1 0 262.265 2.489 20 5 CEBDRM Cc1cc(N[C@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000694983909 803601714 /nfs/dbraw/zinc/60/17/14/803601714.db2.gz HAEMKPBSHMIDJA-NSHDSACASA-N -1 0 262.265 2.489 20 5 CEBDRM O=C(Nc1cccc(F)c1O)c1cccc([N+](=O)[O-])c1[O-] ZINC001171632983 815203010 /nfs/dbraw/zinc/20/30/10/815203010.db2.gz ZPZPGVGUFOHOHD-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000133536101 813086970 /nfs/dbraw/zinc/08/69/70/813086970.db2.gz WEWJXRNLFGPKQE-IUCAKERBSA-N -1 0 252.270 2.424 20 5 CEBDRM O=C([O-])c1ccc(Nc2cncs2)cc1[N+](=O)[O-] ZINC001174503013 816029124 /nfs/dbraw/zinc/02/91/24/816029124.db2.gz SJMUEOBOALXXMW-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccn3cnnc3c2)cc1[N+](=O)[O-] ZINC001174503613 816030176 /nfs/dbraw/zinc/03/01/76/816030176.db2.gz TVRNFIRGVJLKQV-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc(C)n1 ZINC001176671987 816452969 /nfs/dbraw/zinc/45/29/69/816452969.db2.gz FXFXQLPGKWXOCA-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM C[C@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000124698672 187149230 /nfs/dbraw/zinc/14/92/30/187149230.db2.gz BBVFGBHPOOTDHQ-SSDOTTSWSA-N -1 0 272.688 2.405 20 5 CEBDRM O=C(Cc1ncccc1F)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000350670595 219046477 /nfs/dbraw/zinc/04/64/77/219046477.db2.gz SOYJZDGKPCVATI-UHFFFAOYSA-N -1 0 291.238 2.016 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000125128032 187171339 /nfs/dbraw/zinc/17/13/39/187171339.db2.gz JULNOGPTVKQIKZ-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM O=c1c2c([n-]n1-c1cccc([N+](=O)[O-])c1)CCSC2 ZINC000601933344 346930311 /nfs/dbraw/zinc/93/03/11/346930311.db2.gz YVDLQJMERXWHAE-SNVBAGLBSA-N -1 0 277.305 2.051 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C(C)C)cc1=O ZINC000601934733 346931294 /nfs/dbraw/zinc/93/12/94/346931294.db2.gz DOFYQUGGQYSRGM-UHFFFAOYSA-N -1 0 277.280 2.352 20 5 CEBDRM COCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000601941447 346934279 /nfs/dbraw/zinc/93/42/79/346934279.db2.gz XBXZWWNHVRBQOJ-UHFFFAOYSA-N -1 0 297.698 2.377 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2nccs2)c([N+](=O)[O-])c1 ZINC000066246811 343709821 /nfs/dbraw/zinc/70/98/21/343709821.db2.gz XCZBBQFZSPPSBB-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164360229 529874399 /nfs/dbraw/zinc/87/43/99/529874399.db2.gz ASIJHUGZAYRBGM-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM CC(C)OC(=O)[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093772851 344229835 /nfs/dbraw/zinc/22/98/35/344229835.db2.gz CLSXYNQNHGTSRU-SNVBAGLBSA-N -1 0 296.323 2.072 20 5 CEBDRM CCOc1cc(N[C@@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044668 344270336 /nfs/dbraw/zinc/27/03/36/344270336.db2.gz NKXNOCHCKDHSDD-VIFPVBQESA-N -1 0 268.269 2.269 20 5 CEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000134986317 344379160 /nfs/dbraw/zinc/37/91/60/344379160.db2.gz WLOPNSQJGLLKCN-JTQLQIEISA-N -1 0 293.323 2.317 20 5 CEBDRM Cc1cnc(NCC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC000165359996 344474196 /nfs/dbraw/zinc/47/41/96/344474196.db2.gz MWYNVVBLXHDLPU-UHFFFAOYSA-N -1 0 279.296 2.355 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000227935210 344557555 /nfs/dbraw/zinc/55/75/55/344557555.db2.gz NKIMYUGUHBJBCO-NXEZZACHSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C(NC/C=C\c1cccnc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000590397055 345132854 /nfs/dbraw/zinc/13/28/54/345132854.db2.gz LTIVBMAMCZCFAX-RQOWECAXSA-N -1 0 299.286 2.139 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000591326762 345240544 /nfs/dbraw/zinc/24/05/44/345240544.db2.gz AFPGYHFYPHSICA-MRVPVSSYSA-N -1 0 270.310 2.347 20 5 CEBDRM Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592964013 345416486 /nfs/dbraw/zinc/41/64/86/345416486.db2.gz RESWRAAASSNHMX-AOOOYVTPSA-N -1 0 294.307 2.215 20 5 CEBDRM Cc1cc(NCC2(CCO)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592979416 345417602 /nfs/dbraw/zinc/41/76/02/345417602.db2.gz SRBJPEZEKXTASC-UHFFFAOYSA-N -1 0 294.307 2.176 20 5 CEBDRM C[C@@H]1COCC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592976957 345417900 /nfs/dbraw/zinc/41/79/00/345417900.db2.gz OQVHURCNMXIKFK-MWLCHTKSSA-N -1 0 294.307 2.059 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(=O)[O-] ZINC000592980688 345418696 /nfs/dbraw/zinc/41/86/96/345418696.db2.gz WGQVRJUYKUDYGN-YUMQZZPRSA-N -1 0 270.310 2.203 20 5 CEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)C(=O)[O-] ZINC000592992516 345419937 /nfs/dbraw/zinc/41/99/37/345419937.db2.gz FRBVRJNNPHOERB-JTQLQIEISA-N -1 0 294.307 2.053 20 5 CEBDRM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(F)F ZINC000592827174 345401133 /nfs/dbraw/zinc/40/11/33/345401133.db2.gz XHLOCTGTVSCYHJ-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593327522 345467182 /nfs/dbraw/zinc/46/71/82/345467182.db2.gz ODBWVCFYBAWJDZ-LBPRGKRZSA-N -1 0 289.291 2.442 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC12CCCC2 ZINC000593760759 345533629 /nfs/dbraw/zinc/53/36/29/345533629.db2.gz ZQTHSUFHGHNEKO-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM C[C@H]1COC2(CCC2)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595681381 345847395 /nfs/dbraw/zinc/84/73/95/345847395.db2.gz LHGFKVKEHOQKAL-NSHDSACASA-N -1 0 292.335 2.444 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000598231900 346311441 /nfs/dbraw/zinc/31/14/41/346311441.db2.gz CJEUDYANORHDDQ-JTQLQIEISA-N -1 0 264.281 2.219 20 5 CEBDRM CC1CC(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000598778540 346418329 /nfs/dbraw/zinc/41/83/29/346418329.db2.gz TZMHEENEIYRDPE-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC(CC2CC2)C1 ZINC000598781359 346419430 /nfs/dbraw/zinc/41/94/30/346419430.db2.gz MXEXLPOERQDTPH-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C([O-])c1ccnc(NCC[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000600678324 346672110 /nfs/dbraw/zinc/67/21/10/346672110.db2.gz IWGCRLKYIPYSOQ-JTQLQIEISA-N -1 0 291.307 2.268 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NCCC(C)(C)C(=O)[O-] ZINC000336837266 365907713 /nfs/dbraw/zinc/90/77/13/365907713.db2.gz LVZKUJTWNZXTPD-UHFFFAOYSA-N -1 0 284.316 2.032 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611551556 347794275 /nfs/dbraw/zinc/79/42/75/347794275.db2.gz KRQIVMIHMQKZEE-MRVPVSSYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C([O-])c1csc(CNCc2cccc([N+](=O)[O-])c2)n1 ZINC000336895072 365939332 /nfs/dbraw/zinc/93/93/32/365939332.db2.gz MKJWIDRSNXKKKZ-UHFFFAOYSA-N -1 0 293.304 2.039 20 5 CEBDRM CCCCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130341700 365946014 /nfs/dbraw/zinc/94/60/14/365946014.db2.gz WAOTUAKEFDUKGU-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM CC(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000614006587 348133043 /nfs/dbraw/zinc/13/30/43/348133043.db2.gz BZOYFGSYCQSGAK-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM O=c1c2c([n-]n1-c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000104931053 186032548 /nfs/dbraw/zinc/03/25/48/186032548.db2.gz PRVQCFDPVOWMDG-LLVKDONJSA-N -1 0 259.265 2.488 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NCCC[C@H]2CCCC[C@H]2O)s1 ZINC000337009790 365982339 /nfs/dbraw/zinc/98/23/39/365982339.db2.gz FFSQJFOFXOLKEW-NXEZZACHSA-N -1 0 285.369 2.216 20 5 CEBDRM O=C(Nc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184610018 304016151 /nfs/dbraw/zinc/01/61/51/304016151.db2.gz TWSQZRNNPORDOY-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CCOc1cccc(N[C@@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000134882130 187777469 /nfs/dbraw/zinc/77/74/69/187777469.db2.gz ZAWHAHIQVRLZEF-QMMMGPOBSA-N -1 0 268.269 2.269 20 5 CEBDRM CCOc1cccc(NCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000134881930 366367382 /nfs/dbraw/zinc/36/73/82/366367382.db2.gz ZZNCURWTLBQGII-UHFFFAOYSA-N -1 0 268.269 2.270 20 5 CEBDRM O=C([O-])CCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588810 363732677 /nfs/dbraw/zinc/73/26/77/363732677.db2.gz SMZADURWJIDOHP-UHFFFAOYSA-N -1 0 290.279 2.205 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179408157 189192311 /nfs/dbraw/zinc/19/23/11/189192311.db2.gz OMYBCFNSERGLCP-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccnc1 ZINC000025392736 361624952 /nfs/dbraw/zinc/62/49/52/361624952.db2.gz HJRXTSKVALEIKM-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000028195258 361667766 /nfs/dbraw/zinc/66/77/66/361667766.db2.gz UWXCDUKXHAROPF-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(NCc1cccs1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000027627700 361655801 /nfs/dbraw/zinc/65/58/01/361655801.db2.gz QLXPMVPBPKCCJK-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM CC[C@H](Sc1nc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000097824229 364521096 /nfs/dbraw/zinc/52/10/96/364521096.db2.gz IDMJECNDRKZUPS-QMMMGPOBSA-N -1 0 256.283 2.254 20 5 CEBDRM CCCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000098129080 364533546 /nfs/dbraw/zinc/53/35/46/364533546.db2.gz MPMMEKVHZJEGJK-UHFFFAOYSA-N -1 0 253.258 2.290 20 5 CEBDRM C/C=C/C[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572163808 299349852 /nfs/dbraw/zinc/34/98/52/299349852.db2.gz BFHYVRYFEKJEMV-HMDXOVGESA-N -1 0 294.307 2.340 20 5 CEBDRM CO[C@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000343878014 368054990 /nfs/dbraw/zinc/05/49/90/368054990.db2.gz OPUIBYQUWJGIAX-KOLCDFICSA-N -1 0 294.307 2.444 20 5 CEBDRM CCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182125035 368526575 /nfs/dbraw/zinc/52/65/75/368526575.db2.gz XOJBXNSZPPRFBW-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM CCN(CC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182008641 368514751 /nfs/dbraw/zinc/51/47/51/368514751.db2.gz ZLQCNEYHUPSIPY-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1cccc2[nH]cnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182029754 368516682 /nfs/dbraw/zinc/51/66/82/368516682.db2.gz LTXUBYKLBFQYKT-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ncoc1C1CC1 ZINC000346333846 368640413 /nfs/dbraw/zinc/64/04/13/368640413.db2.gz VQSCDTGQZRRSPI-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NOC[C@@H]2CCOC2)c(Cl)c1 ZINC000276278370 193268399 /nfs/dbraw/zinc/26/83/99/193268399.db2.gz WIVTZRZMWDWUFB-SSDOTTSWSA-N -1 0 273.676 2.023 20 5 CEBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccon2)c1[N+](=O)[O-] ZINC000191786366 369743314 /nfs/dbraw/zinc/74/33/14/369743314.db2.gz SAVHWOSEPYBDEE-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000191931505 369755415 /nfs/dbraw/zinc/75/54/15/369755415.db2.gz UTLYTWOTMNTEMI-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM CC1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000232799655 370511946 /nfs/dbraw/zinc/51/19/46/370511946.db2.gz LDXXQBWKACZUEV-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235256833 189826681 /nfs/dbraw/zinc/82/66/81/189826681.db2.gz IKSDWZQYZPUXFM-LDYMZIIASA-N -1 0 264.281 2.219 20 5 CEBDRM O=C([O-])C1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000262640283 371890266 /nfs/dbraw/zinc/89/02/66/371890266.db2.gz ITXNDXPPHWCGKX-UHFFFAOYSA-N -1 0 282.271 2.031 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000270693835 372903951 /nfs/dbraw/zinc/90/39/51/372903951.db2.gz AEBRXDIFPFFJQZ-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM O=C(NCC1CCSCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272537468 373540363 /nfs/dbraw/zinc/54/03/63/373540363.db2.gz NKKCJNITPKQWOO-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM Cc1cc(N2CC[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573971219 299465838 /nfs/dbraw/zinc/46/58/38/299465838.db2.gz PMWOLTDFTZPQNZ-QMMMGPOBSA-N -1 0 264.281 2.448 20 5 CEBDRM CCSCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000282349727 375462931 /nfs/dbraw/zinc/46/29/31/375462931.db2.gz WSIQCMWWNPOAIA-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM O=C([O-])CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000416384364 376056549 /nfs/dbraw/zinc/05/65/49/376056549.db2.gz DOBZOYXUYPFWBE-UHFFFAOYSA-N -1 0 276.195 2.083 20 5 CEBDRM O=C(NC[C@H]1CCCSC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000288007935 376359371 /nfs/dbraw/zinc/35/93/71/376359371.db2.gz IZQGOMVMDGHVTH-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM COc1cnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000559265937 376671348 /nfs/dbraw/zinc/67/13/48/376671348.db2.gz KJKDTBPYRXWXME-UHFFFAOYSA-N -1 0 295.276 2.018 20 5 CEBDRM CCC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000292876583 377327112 /nfs/dbraw/zinc/32/71/12/377327112.db2.gz PHIBCEBGTZAPTF-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(NCc1ccccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427938991 377469917 /nfs/dbraw/zinc/46/99/17/377469917.db2.gz SRLWRQOFPKFBGP-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2CC(F)(F)C2)n1 ZINC000565307564 377637723 /nfs/dbraw/zinc/63/77/23/377637723.db2.gz OGPINDJJBHLZRK-UHFFFAOYSA-N -1 0 287.222 2.206 20 5 CEBDRM C[C@@H]1CC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000566291489 377752718 /nfs/dbraw/zinc/75/27/18/377752718.db2.gz SCBTWVWVWPTVNL-HTQZYQBOSA-N -1 0 295.295 2.056 20 5 CEBDRM COC(C)(C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567052267 377796720 /nfs/dbraw/zinc/79/67/20/377796720.db2.gz SZKUNMSGNCSMNG-UHFFFAOYSA-N -1 0 282.296 2.438 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000443356742 378047981 /nfs/dbraw/zinc/04/79/81/378047981.db2.gz JQWSIOOWIZKGAD-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458109594 380011246 /nfs/dbraw/zinc/01/12/46/380011246.db2.gz FSABFNDRKVYDOU-NWDGAFQWSA-N -1 0 264.281 2.075 20 5 CEBDRM CC[C@@H](C)CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280863610 195006384 /nfs/dbraw/zinc/00/63/84/195006384.db2.gz DPLVWZYKMMNGJL-SECBINFHSA-N -1 0 266.297 2.419 20 5 CEBDRM CC(C)CN(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280882023 195013533 /nfs/dbraw/zinc/01/35/33/195013533.db2.gz YVAMSNCDKAAWBQ-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM COCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000081716790 177844044 /nfs/dbraw/zinc/84/40/44/177844044.db2.gz SMTMIWDUYNZOCL-MRVPVSSYSA-N -1 0 268.269 2.130 20 5 CEBDRM Cc1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000261688669 131162330 /nfs/dbraw/zinc/16/23/30/131162330.db2.gz NCIPCSUIBJCWHG-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM CC1(CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000262925910 131274162 /nfs/dbraw/zinc/27/41/62/131274162.db2.gz OLYHYPPUIZUVQX-UHFFFAOYSA-N -1 0 292.291 2.213 20 5 CEBDRM CCO[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211462315 394448328 /nfs/dbraw/zinc/44/83/28/394448328.db2.gz NZMXPMBRFGFQOB-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@]12C[C@H]1CCC2 ZINC000421806319 394600891 /nfs/dbraw/zinc/60/08/91/394600891.db2.gz YYEFFPZRQQEDMS-AMIZOPFISA-N -1 0 262.265 2.429 20 5 CEBDRM CC(C)c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000263123430 394627309 /nfs/dbraw/zinc/62/73/09/394627309.db2.gz KVWDQBVTDSXEOX-VIFPVBQESA-N -1 0 294.307 2.311 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000119440782 394767392 /nfs/dbraw/zinc/76/73/92/394767392.db2.gz YUMFBBCUHPYEER-VHSXEESVSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1CCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132182153 394926270 /nfs/dbraw/zinc/92/62/70/394926270.db2.gz WJRFXNUFWSPRLA-WPRPVWTQSA-N -1 0 264.281 2.219 20 5 CEBDRM COC(=O)C[C@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436477548 395119353 /nfs/dbraw/zinc/11/93/53/395119353.db2.gz YPEDRJIVGGOVRL-QMMMGPOBSA-N -1 0 285.321 2.485 20 5 CEBDRM O=C(Nc1nc(C2CC2)c[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436706342 395146090 /nfs/dbraw/zinc/14/60/90/395146090.db2.gz CKOVBCROAIBUDA-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436909832 395162438 /nfs/dbraw/zinc/16/24/38/395162438.db2.gz BAXUJZJCIZAUMY-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000565451215 395471438 /nfs/dbraw/zinc/47/14/38/395471438.db2.gz XOEPXKHVYCRHOB-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ns1 ZINC000444327669 395427895 /nfs/dbraw/zinc/42/78/95/395427895.db2.gz GIWLSRFXGCQJQA-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000566296616 395510812 /nfs/dbraw/zinc/51/08/12/395510812.db2.gz DXBVQUOQACZDFS-QMTHXVAHSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1C ZINC000119440436 296540282 /nfs/dbraw/zinc/54/02/82/296540282.db2.gz YUMFBBCUHPYEER-ZJUUUORDSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000191941253 296540714 /nfs/dbraw/zinc/54/07/14/296540714.db2.gz NTDNSBFCELRWNE-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000360457814 155304428 /nfs/dbraw/zinc/30/44/28/155304428.db2.gz FKHNLNICZUKKMQ-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM CC[C@H](C)[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000263433517 154086290 /nfs/dbraw/zinc/08/62/90/154086290.db2.gz UKNSGZPHWNULSP-CPCISQLKSA-N -1 0 292.295 2.382 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cccnc1 ZINC000255357987 162536398 /nfs/dbraw/zinc/53/63/98/162536398.db2.gz LHVLYVDNRVLZID-ARJAWSKDSA-N -1 0 271.232 2.253 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCCC(=O)[O-] ZINC000044747636 175243107 /nfs/dbraw/zinc/24/31/07/175243107.db2.gz UDPPUBKTQDERHX-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747661 175243174 /nfs/dbraw/zinc/24/31/74/175243174.db2.gz CACFXYPYUZAIDS-UFBFGSQYSA-N -1 0 294.307 2.132 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1NC(=O)c1snnc1C ZINC000194741755 270303387 /nfs/dbraw/zinc/30/33/87/270303387.db2.gz XZWUGCRAQOVODF-UHFFFAOYSA-N -1 0 294.292 2.016 20 5 CEBDRM CC(C)(C)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225795572 270309407 /nfs/dbraw/zinc/30/94/07/270309407.db2.gz IQFFQWPXISSGPB-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1occc1CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000122460040 279780690 /nfs/dbraw/zinc/78/06/90/279780690.db2.gz QLWWUPADXQSHJL-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130451252 279936360 /nfs/dbraw/zinc/93/63/60/279936360.db2.gz ZZZLLSPSNYENFH-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000136502079 280061520 /nfs/dbraw/zinc/06/15/20/280061520.db2.gz AIIDIOVTFDOVMR-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424275071 281141464 /nfs/dbraw/zinc/14/14/64/281141464.db2.gz ZKOANCFZIURQHM-KCJUWKMLSA-N -1 0 284.337 2.341 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC2(CCC2)C1 ZINC000164933518 304524891 /nfs/dbraw/zinc/52/48/91/304524891.db2.gz XUIXVXRHCGRXNQ-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC12CCC2 ZINC000373116325 304529348 /nfs/dbraw/zinc/52/93/48/304529348.db2.gz UVIZPHQEKHRYDA-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM Cc1ccncc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000547810829 298378481 /nfs/dbraw/zinc/37/84/81/298378481.db2.gz AZZKEUBVWSLJNH-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM Cc1cc(N[C@H](C)[C@@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567355614 299056547 /nfs/dbraw/zinc/05/65/47/299056547.db2.gz ILMWCMBYKCUDJU-NXEZZACHSA-N -1 0 294.307 2.438 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000217315939 300188045 /nfs/dbraw/zinc/18/80/45/300188045.db2.gz CHQOJPCUOJFXOE-DTORHVGOSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1C ZINC000118529757 300655163 /nfs/dbraw/zinc/65/51/63/300655163.db2.gz YBNFRTNYBXSDDC-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263245153 301855846 /nfs/dbraw/zinc/85/58/46/301855846.db2.gz SDVSDZKWLXJKMI-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000184673748 302429215 /nfs/dbraw/zinc/42/92/15/302429215.db2.gz PLKOJOJAFOMUNE-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000164796346 312661091 /nfs/dbraw/zinc/66/10/91/312661091.db2.gz GZFSZWGUMJOHGB-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM C[C@H](CCO)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000514675650 313052637 /nfs/dbraw/zinc/05/26/37/313052637.db2.gz UVFVKLOQUHMWCT-JTQLQIEISA-N -1 0 296.323 2.042 20 5 CEBDRM C[C@@H](O)C[C@@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000519826227 313120158 /nfs/dbraw/zinc/12/01/58/313120158.db2.gz RJECYVUBYYTVIH-NXEZZACHSA-N -1 0 296.323 2.041 20 5 CEBDRM Cc1cc(N2CCSC[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000570635879 314050063 /nfs/dbraw/zinc/05/00/63/314050063.db2.gz YPNQOTPCDKCLQF-SNVBAGLBSA-N -1 0 296.348 2.157 20 5 CEBDRM C[C@@H](CN(C)c1nccc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000577615173 314395277 /nfs/dbraw/zinc/39/52/77/314395277.db2.gz DHDGKSKLCTZFCR-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM C[C@H](CCO)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397773687 329393316 /nfs/dbraw/zinc/39/33/16/329393316.db2.gz WFKFYBBBYKNSIB-VIFPVBQESA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@H](O)C[C@H](C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397811970 329397475 /nfs/dbraw/zinc/39/74/75/329397475.db2.gz JLCNZZGNTOPEPM-IUCAKERBSA-N -1 0 282.296 2.112 20 5 CEBDRM CC1(C2(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)CC1 ZINC000398289662 329441804 /nfs/dbraw/zinc/44/18/04/329441804.db2.gz XQFUTSWNBBLXFP-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM COC(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186026882 522461626 /nfs/dbraw/zinc/46/16/26/522461626.db2.gz GRVARGGUFCDMOK-UHFFFAOYSA-N -1 0 288.687 2.317 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000185025599 522982028 /nfs/dbraw/zinc/98/20/28/522982028.db2.gz WJGLLMVARMSSKH-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC(C)CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179458682 527759372 /nfs/dbraw/zinc/75/93/72/527759372.db2.gz KKODZHJHRCECKO-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CCC(=O)c1ccc(N[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000416428274 528458823 /nfs/dbraw/zinc/45/88/23/528458823.db2.gz TWDMJXZSUIWDBK-QMMMGPOBSA-N -1 0 280.280 2.463 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236934364 535641585 /nfs/dbraw/zinc/64/15/85/535641585.db2.gz UNUMJUISQNYWBZ-RKDXNWHRSA-N -1 0 294.307 2.457 20 5 CEBDRM Cc1cc(N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000740076890 574440632 /nfs/dbraw/zinc/44/06/32/574440632.db2.gz HEUAUOWKOYDKEW-ZYHUDNBSSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])NC[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000740631661 574473760 /nfs/dbraw/zinc/47/37/60/574473760.db2.gz YOTSECMSYBFESV-BXKDBHETSA-N -1 0 279.296 2.443 20 5 CEBDRM C[C@@H](CO)CSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736606224 574793294 /nfs/dbraw/zinc/79/32/94/574793294.db2.gz BFMICOJVWOVGTQ-LVCFMKKZSA-N -1 0 297.332 2.413 20 5 CEBDRM C[C@@H](Sc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(=O)[O-] ZINC000736711640 574795029 /nfs/dbraw/zinc/79/50/29/574795029.db2.gz DNLJSALRQSZOOH-ZCFIWIBFSA-N -1 0 296.304 2.045 20 5 CEBDRM Cc1c(OC(=O)CCSCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000738305310 574857312 /nfs/dbraw/zinc/85/73/12/574857312.db2.gz MOMFSVGDYLATAT-UHFFFAOYSA-N -1 0 299.304 2.017 20 5 CEBDRM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C(=O)[O-])CC1 ZINC000739056772 574891665 /nfs/dbraw/zinc/89/16/65/574891665.db2.gz FYKYEQJIMJQUMF-NSHDSACASA-N -1 0 293.323 2.342 20 5 CEBDRM C[C@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739037039 574890832 /nfs/dbraw/zinc/89/08/32/574890832.db2.gz OBZRKAVGORHLKZ-VHSXEESVSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@H]1CN(C(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000739164169 574897689 /nfs/dbraw/zinc/89/76/89/574897689.db2.gz SBYJMLFAPFDMFV-QMMMGPOBSA-N -1 0 299.714 2.437 20 5 CEBDRM C[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739200576 574899457 /nfs/dbraw/zinc/89/94/57/574899457.db2.gz UZJRROXIFMKOOJ-HTQZYQBOSA-N -1 0 285.325 2.233 20 5 CEBDRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739299424 574907424 /nfs/dbraw/zinc/90/74/24/574907424.db2.gz WQPFCUHIBGFBJT-CYBMUJFWSA-N -1 0 295.295 2.360 20 5 CEBDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000739321646 574910107 /nfs/dbraw/zinc/91/01/07/574910107.db2.gz WGHFVMPDHGEMJY-SNVBAGLBSA-N -1 0 295.295 2.278 20 5 CEBDRM CN(C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739665715 574930323 /nfs/dbraw/zinc/93/03/23/574930323.db2.gz ZZJHBKGEXGKWSQ-SNVBAGLBSA-N -1 0 279.296 2.031 20 5 CEBDRM Cc1cc(N2CCC[C@@H](N(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740078574 574941478 /nfs/dbraw/zinc/94/14/78/574941478.db2.gz AUAVDEDWEGDMEB-GFCCVEGCSA-N -1 0 293.323 2.482 20 5 CEBDRM Cc1cc(N2CCC[C@H](N(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740078577 574941498 /nfs/dbraw/zinc/94/14/98/574941498.db2.gz AUAVDEDWEGDMEB-LBPRGKRZSA-N -1 0 293.323 2.482 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740100929 574942012 /nfs/dbraw/zinc/94/20/12/574942012.db2.gz ZFFJLFGBNJGZTH-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])c1coc(COC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000740270622 574950868 /nfs/dbraw/zinc/95/08/68/574950868.db2.gz NKZFVJVXWSKRTA-UHFFFAOYSA-N -1 0 291.215 2.243 20 5 CEBDRM O=C([O-])NC[C@@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000740625275 574962065 /nfs/dbraw/zinc/96/20/65/574962065.db2.gz KHEOQKMCWCCYCL-VHSXEESVSA-N -1 0 279.296 2.443 20 5 CEBDRM COc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OC ZINC000744321457 575118913 /nfs/dbraw/zinc/11/89/13/575118913.db2.gz SBNLCOWGCBMSIB-UHFFFAOYSA-N -1 0 292.247 2.159 20 5 CEBDRM O=C(OCc1ccsc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000744235152 575117039 /nfs/dbraw/zinc/11/70/39/575117039.db2.gz JZSDULJBFGDMCG-UHFFFAOYSA-N -1 0 252.251 2.341 20 5 CEBDRM O=C([O-])CCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000821524605 597759824 /nfs/dbraw/zinc/75/98/24/597759824.db2.gz DPOYBGJIEFLXOS-UHFFFAOYSA-N -1 0 275.264 2.323 20 5 CEBDRM O=C([O-])CSc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037652470 600430990 /nfs/dbraw/zinc/43/09/90/600430990.db2.gz NTNOPYUOWKHAIT-UHFFFAOYSA-N -1 0 264.262 2.320 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)[O-])CC2)c1 ZINC000832476298 600810891 /nfs/dbraw/zinc/81/08/91/600810891.db2.gz IUPMQYXHTWLAGE-UHFFFAOYSA-N -1 0 295.295 2.158 20 5 CEBDRM C/C(=C\COc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088629626 601096967 /nfs/dbraw/zinc/09/69/67/601096967.db2.gz QTYOEVUSGSSHEY-QPJJXVBHSA-N -1 0 255.201 2.144 20 5 CEBDRM CC1(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828106675 601380489 /nfs/dbraw/zinc/38/04/89/601380489.db2.gz FMJXKSFPCGKEGY-UHFFFAOYSA-N -1 0 295.251 2.413 20 5 CEBDRM Cc1c(C(=O)NC2(CC(=O)[O-])CCC2)cccc1[N+](=O)[O-] ZINC000094290370 601437687 /nfs/dbraw/zinc/43/76/87/601437687.db2.gz CPBSQQUOUZNCRI-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C([O-])c1ccc(OC[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000690408105 602273038 /nfs/dbraw/zinc/27/30/38/602273038.db2.gz FIQSHSFYFRRPKM-SECBINFHSA-N -1 0 281.264 2.098 20 5 CEBDRM COc1cc(NC[C@@H]2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000829196701 603187806 /nfs/dbraw/zinc/18/78/06/603187806.db2.gz AZRMZJZKJJWLMZ-JTQLQIEISA-N -1 0 295.295 2.158 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1C(=O)[O-] ZINC000826082047 603192635 /nfs/dbraw/zinc/19/26/35/603192635.db2.gz IKFCSVMYMZLTCY-MRVPVSSYSA-N -1 0 299.714 2.437 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000832521200 603198296 /nfs/dbraw/zinc/19/82/96/603198296.db2.gz LNRDGLCIUVKRMG-VHSXEESVSA-N -1 0 294.311 2.228 20 5 CEBDRM O=C([O-])NC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000832520963 603200643 /nfs/dbraw/zinc/20/06/43/603200643.db2.gz INGQHNWEBGKPOD-KOLCDFICSA-N -1 0 294.311 2.228 20 5 CEBDRM CN(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828236000 603204795 /nfs/dbraw/zinc/20/47/95/603204795.db2.gz MHLUGEZKBBHSEW-GFCCVEGCSA-N -1 0 279.296 2.173 20 5 CEBDRM Cc1cnc(NCC[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830634419 603207247 /nfs/dbraw/zinc/20/72/47/603207247.db2.gz UUWAMQOQFYZFON-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1cnc(NC2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000830634498 603208344 /nfs/dbraw/zinc/20/83/44/603208344.db2.gz XHLACXQPOGYLBG-UHFFFAOYSA-N -1 0 294.311 2.289 20 5 CEBDRM Cc1ccc(N[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830395889 603445366 /nfs/dbraw/zinc/44/53/66/603445366.db2.gz MXLNTMIMQWEETL-VIFPVBQESA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CN(C)C(=O)[O-])C2)c1 ZINC000830426676 603552713 /nfs/dbraw/zinc/55/27/13/603552713.db2.gz ABTZTRSCBUMJFF-NSHDSACASA-N -1 0 293.323 2.339 20 5 CEBDRM Cc1ccc([C@H](C)OC(=O)CCNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830257457 603928657 /nfs/dbraw/zinc/92/86/57/603928657.db2.gz UQAKWUSIVMSTON-VIFPVBQESA-N -1 0 296.279 2.165 20 5 CEBDRM CCOc1cc(NCCN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000827418318 604218511 /nfs/dbraw/zinc/21/85/11/604218511.db2.gz MUEJZXSFGRTIPN-UHFFFAOYSA-N -1 0 283.284 2.015 20 5 CEBDRM Cc1ccc(N2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830341147 604224041 /nfs/dbraw/zinc/22/40/41/604224041.db2.gz PEIHMZYMMIZKRR-JTQLQIEISA-N -1 0 279.296 2.092 20 5 CEBDRM C[C@@H](CCO)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417929 604266929 /nfs/dbraw/zinc/26/69/29/604266929.db2.gz TXWFXZQCOINDHX-LURJTMIESA-N -1 0 288.687 2.129 20 5 CEBDRM Cc1nc(N[C@@H]2CCCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830775739 604442779 /nfs/dbraw/zinc/44/27/79/604442779.db2.gz SCXCOFDXUBXVOW-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000148363333 604470357 /nfs/dbraw/zinc/47/03/57/604470357.db2.gz BPQZHLHHRALDBW-QMMMGPOBSA-N -1 0 285.687 2.087 20 5 CEBDRM CCc1ccc(C(=O)OCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000820480114 605284870 /nfs/dbraw/zinc/28/48/70/605284870.db2.gz UFFZPHLXLFWXCY-UHFFFAOYSA-N -1 0 281.264 2.179 20 5 CEBDRM O=C([O-])N1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000214046113 605377683 /nfs/dbraw/zinc/37/76/83/605377683.db2.gz SFRCQOWJUOZWRW-MRVPVSSYSA-N -1 0 283.259 2.146 20 5 CEBDRM O=C([O-])N(CCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000834062925 605991960 /nfs/dbraw/zinc/99/19/60/605991960.db2.gz PQWUCVUDDCAQDS-UHFFFAOYSA-N -1 0 271.298 2.211 20 5 CEBDRM CS[C@H]1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000235070650 624577808 /nfs/dbraw/zinc/57/78/08/624577808.db2.gz WIGNODSONVKPAS-SFYZADRCSA-N -1 0 297.336 2.384 20 5 CEBDRM CS[C@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235099722 624609538 /nfs/dbraw/zinc/60/95/38/624609538.db2.gz ZLWZMUWSUIEXPB-WPRPVWTQSA-N -1 0 296.348 2.314 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000162699568 628480706 /nfs/dbraw/zinc/48/07/06/628480706.db2.gz QTZCKCGYTIQUJJ-AWEZNQCLSA-N -1 0 293.323 2.379 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000803075683 631508275 /nfs/dbraw/zinc/50/82/75/631508275.db2.gz GACKNIMYHRVRSR-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)[N-]OC1CCC1 ZINC000812789831 632580264 /nfs/dbraw/zinc/58/02/64/632580264.db2.gz DQIHOBSOPZMJAQ-UHFFFAOYSA-N -1 0 282.321 2.287 20 5 CEBDRM COCc1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000816247095 633159865 /nfs/dbraw/zinc/15/98/65/633159865.db2.gz LUQOGIYTYBUTBI-UHFFFAOYSA-N -1 0 290.275 2.426 20 5 CEBDRM C[C@@]1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1(F)F ZINC000817250273 633609271 /nfs/dbraw/zinc/60/92/71/633609271.db2.gz JHTJKHSCGJJROF-NSHDSACASA-N -1 0 287.218 2.389 20 5 CEBDRM CC(C)C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000818617614 633961912 /nfs/dbraw/zinc/96/19/12/633961912.db2.gz DETQTQNDKUVDDW-VIFPVBQESA-N -1 0 281.312 2.336 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1CNCC(F)(F)C(=O)[O-] ZINC000904031830 635419016 /nfs/dbraw/zinc/41/90/16/635419016.db2.gz GESDOFMBHGSXIZ-UHFFFAOYSA-N -1 0 288.250 2.021 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1(C(F)F)CC1 ZINC000830034158 636973791 /nfs/dbraw/zinc/97/37/91/636973791.db2.gz QVFAULGXWBSJAN-UHFFFAOYSA-N -1 0 287.218 2.389 20 5 CEBDRM CCN(CC(C)C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910342823 638007735 /nfs/dbraw/zinc/00/77/35/638007735.db2.gz CMMJXFJIODDSIF-UHFFFAOYSA-N -1 0 281.312 2.479 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1C[C@@H]1C(F)F ZINC000837710009 639351991 /nfs/dbraw/zinc/35/19/91/639351991.db2.gz DWQXVJRAQCYNFQ-IUCAKERBSA-N -1 0 287.218 2.245 20 5 CEBDRM COCC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000837715524 639353644 /nfs/dbraw/zinc/35/36/44/639353644.db2.gz RJFARUJFHAHDPX-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCSC[C@H](C(=O)[O-])C1 ZINC000844219328 640634623 /nfs/dbraw/zinc/63/46/23/640634623.db2.gz UCRZQYXVLAORDC-SNVBAGLBSA-N -1 0 296.348 2.157 20 5 CEBDRM O=C(OC[C@H]1CCC1(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000851312040 642978137 /nfs/dbraw/zinc/97/81/37/642978137.db2.gz FENFFXXVZWHNJV-ZCFIWIBFSA-N -1 0 260.196 2.125 20 5 CEBDRM CC1(C)CCC[C@](O)(COC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000851355732 642993720 /nfs/dbraw/zinc/99/37/20/642993720.db2.gz ZCWWYAICRPLIQN-CQSZACIVSA-N -1 0 296.323 2.411 20 5 CEBDRM O=C([O-])Cc1ccc(N2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000851705542 643116752 /nfs/dbraw/zinc/11/67/52/643116752.db2.gz QBSZIUFNJFMFTK-QWRGUYRKSA-N -1 0 276.292 2.068 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000852909902 643595885 /nfs/dbraw/zinc/59/58/85/643595885.db2.gz FSNALTVGCUTVSB-JTQLQIEISA-N -1 0 293.323 2.258 20 5 CEBDRM Nc1ccc(NC[C@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000852913441 643596777 /nfs/dbraw/zinc/59/67/77/643596777.db2.gz VEBWDEBZOCMYDF-JTQLQIEISA-N -1 0 279.296 2.090 20 5 CEBDRM Cc1ccc2c(c1)N[C@H](c1ccc([O-])c([N+](=O)[O-])c1)NC2=O ZINC000877864285 650932373 /nfs/dbraw/zinc/93/23/73/650932373.db2.gz PBYNCRMILBDZIP-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM COCc1csc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000857041751 644797842 /nfs/dbraw/zinc/79/78/42/644797842.db2.gz TUARIKQAGXFVHW-UHFFFAOYSA-N -1 0 296.304 2.488 20 5 CEBDRM CCc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1 ZINC000764823571 645695200 /nfs/dbraw/zinc/69/52/00/645695200.db2.gz WMGAMOMAVPNYCO-UHFFFAOYSA-N -1 0 289.291 2.280 20 5 CEBDRM O=C([O-])C1=CC[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000863478375 646738148 /nfs/dbraw/zinc/73/81/48/646738148.db2.gz JKWFZNABYSSNPJ-SSDOTTSWSA-N -1 0 254.267 2.242 20 5 CEBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ncc(Cl)n1C ZINC000773879540 646784157 /nfs/dbraw/zinc/78/41/57/646784157.db2.gz PBBACUBAZVJTES-LURJTMIESA-N -1 0 298.686 2.228 20 5 CEBDRM CS[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000779668936 647337640 /nfs/dbraw/zinc/33/76/40/647337640.db2.gz CLEKODATKSMGJI-WCBMZHEXSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000869600419 648528678 /nfs/dbraw/zinc/52/86/78/648528678.db2.gz JWIWISPWWMELTJ-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)[O-])cc2)c1 ZINC000794401718 648862985 /nfs/dbraw/zinc/86/29/85/648862985.db2.gz ROEKFQUSQXIQIM-UHFFFAOYSA-N -1 0 287.275 2.487 20 5 CEBDRM Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000693376760 802870604 /nfs/dbraw/zinc/87/06/04/802870604.db2.gz ACCJUPXYXSESJC-WAAGHKOSSA-N -1 0 250.254 2.178 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000693516551 803018978 /nfs/dbraw/zinc/01/89/78/803018978.db2.gz XTNCKYGWFLLSLH-JOYOIKCWSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cncc(-c2noc(-c3cnc([N+](=O)[O-])c([O-])c3)n2)c1 ZINC001213596012 803023262 /nfs/dbraw/zinc/02/32/62/803023262.db2.gz IDSBZACVABFVSX-UHFFFAOYSA-N -1 0 299.246 2.116 20 5 CEBDRM O=[N+]([O-])c1c([O-])cccc1OC[C@@H]1CCCCO1 ZINC001225620757 805038172 /nfs/dbraw/zinc/03/81/72/805038172.db2.gz UHDAXRMGJXCZQT-VIFPVBQESA-N -1 0 253.254 2.248 20 5 CEBDRM Cc1ncc(CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001168392507 807065571 /nfs/dbraw/zinc/06/55/71/807065571.db2.gz ZYNDFOFKKMFLAJ-UHFFFAOYSA-N -1 0 288.263 2.004 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1C(F)F ZINC001120751062 815268543 /nfs/dbraw/zinc/26/85/43/815268543.db2.gz ZGCPRXVAKNIGLQ-VIFPVBQESA-N -1 0 286.234 2.170 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000706486324 809826568 /nfs/dbraw/zinc/82/65/68/809826568.db2.gz KSDQLFCNBILYNF-SNVBAGLBSA-N -1 0 277.280 2.067 20 5 CEBDRM CC(C)(C)C(=O)CNc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001164005668 810242519 /nfs/dbraw/zinc/24/25/19/810242519.db2.gz ZQIOVGCPLDVTNN-UHFFFAOYSA-N -1 0 280.280 2.320 20 5 CEBDRM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)on1 ZINC000036562094 814869401 /nfs/dbraw/zinc/86/94/01/814869401.db2.gz VFHZPZXBVPVHBV-UHFFFAOYSA-N -1 0 265.200 2.283 20 5 CEBDRM CCOC(=O)c1nnsc1[N-]c1ccc([N+](=O)[O-])cc1 ZINC001174476700 816018658 /nfs/dbraw/zinc/01/86/58/816018658.db2.gz CVSUNGRBMQKXQO-UHFFFAOYSA-N -1 0 294.292 2.367 20 5 CEBDRM COc1cncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176675131 816453844 /nfs/dbraw/zinc/45/38/44/816453844.db2.gz SVCLOSMVAXVLPC-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM CC(C)[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001141909575 816596775 /nfs/dbraw/zinc/59/67/75/816596775.db2.gz KIHJTQMXBJBYRA-OCCSQVGLSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(N[C@@]12C[C@@H]1CCCC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000601778331 346896010 /nfs/dbraw/zinc/89/60/10/346896010.db2.gz VHJCGXVUVICDTR-XPTSAGLGSA-N -1 0 276.292 2.363 20 5 CEBDRM CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031399 362014367 /nfs/dbraw/zinc/01/43/67/362014367.db2.gz QKHOOTJDKJUMTJ-GFCCVEGCSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000041031394 362014545 /nfs/dbraw/zinc/01/45/45/362014545.db2.gz MBWWQFDFNOAVQL-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM O=c1cc(C[C@H]2CCCO2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000601935526 346931476 /nfs/dbraw/zinc/93/14/76/346931476.db2.gz WZJAVGZNHIUJFJ-CYBMUJFWSA-N -1 0 289.291 2.257 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000290631053 197771608 /nfs/dbraw/zinc/77/16/08/197771608.db2.gz LVKXCWJOVMSOFW-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM O=C(/C=C/c1ccncc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546006 344194347 /nfs/dbraw/zinc/19/43/47/344194347.db2.gz DBHFAJLAWJYIMS-DAFODLJHSA-N -1 0 285.259 2.347 20 5 CEBDRM CCOc1cc(N(C)[C@@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044920 344270207 /nfs/dbraw/zinc/27/02/07/344270207.db2.gz YBFQJDPZZOZRMZ-JTQLQIEISA-N -1 0 282.296 2.293 20 5 CEBDRM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(O)c1F ZINC000128250533 344335392 /nfs/dbraw/zinc/33/53/92/344335392.db2.gz HCDIZMUQBCGSQP-UHFFFAOYSA-N -1 0 291.238 2.395 20 5 CEBDRM C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000133560419 344369721 /nfs/dbraw/zinc/36/97/21/344369721.db2.gz KTVHUEJGAUPYMR-SFYZADRCSA-N -1 0 250.254 2.361 20 5 CEBDRM CSCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000167610857 344479140 /nfs/dbraw/zinc/47/91/40/344479140.db2.gz ILLMFOVIVBKXSZ-UHFFFAOYSA-N -1 0 270.310 2.092 20 5 CEBDRM C[C@@H]1CCCN1c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211938498 344532206 /nfs/dbraw/zinc/53/22/06/344532206.db2.gz MWGPEJCONIHTBV-MRVPVSSYSA-N -1 0 250.254 2.282 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226761289 344551593 /nfs/dbraw/zinc/55/15/93/344551593.db2.gz IPGKGVUANILZQB-QMMMGPOBSA-N -1 0 285.325 2.133 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC(F)(F)C1 ZINC000404738602 344882050 /nfs/dbraw/zinc/88/20/50/344882050.db2.gz NQPIVWNOCMSPFA-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(=O)[O-] ZINC000592421380 345351014 /nfs/dbraw/zinc/35/10/14/345351014.db2.gz SJNIKGOJICEJIS-ZETCQYMHSA-N -1 0 290.222 2.471 20 5 CEBDRM C[C@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000592421077 345351350 /nfs/dbraw/zinc/35/13/50/345351350.db2.gz LVUVNSWEIPWTAC-YUMQZZPRSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593290847 345463052 /nfs/dbraw/zinc/46/30/52/345463052.db2.gz JELOPZRFYCWULN-NSHDSACASA-N -1 0 294.307 2.130 20 5 CEBDRM O=C(/C=C\c1ccc[nH]1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000493224501 290761646 /nfs/dbraw/zinc/76/16/46/290761646.db2.gz PKZUGARSVGBQPR-XQRVVYSFSA-N -1 0 273.248 2.280 20 5 CEBDRM O=C([O-])C1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCC1 ZINC000595971433 345919087 /nfs/dbraw/zinc/91/90/87/345919087.db2.gz MOWKGZKYQZXEGY-UHFFFAOYSA-N -1 0 291.307 2.230 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C(=O)[O-])C1CCC1 ZINC000595977208 345920091 /nfs/dbraw/zinc/92/00/91/345920091.db2.gz GSHHPMJNDZTJJG-JTQLQIEISA-N -1 0 296.327 2.032 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000598184429 346301905 /nfs/dbraw/zinc/30/19/05/346301905.db2.gz LNBGCIZTKLEYLM-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(NCC1=CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598377583 346341563 /nfs/dbraw/zinc/34/15/63/346341563.db2.gz XLGBLDCVIGWYJW-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM O=C([O-])c1ccnc(NCC[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000600678325 346671895 /nfs/dbraw/zinc/67/18/95/346671895.db2.gz IWGCRLKYIPYSOQ-SNVBAGLBSA-N -1 0 291.307 2.268 20 5 CEBDRM O=C(CCc1nccs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356299267 370648139 /nfs/dbraw/zinc/64/81/39/370648139.db2.gz UDSMEOHEIRQARE-UHFFFAOYSA-N -1 0 293.304 2.328 20 5 CEBDRM C[C@H]1C[C@@H]1c1n[n-]c(=NCc2cccc([N+](=O)[O-])c2)o1 ZINC000601065205 346741978 /nfs/dbraw/zinc/74/19/78/346741978.db2.gz XEFGIWVIHGZBAC-KWQFWETISA-N -1 0 274.280 2.135 20 5 CEBDRM CCO[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000610930459 347723111 /nfs/dbraw/zinc/72/31/11/347723111.db2.gz KMSLKBJTLCDSEQ-CYBMUJFWSA-N -1 0 280.324 2.301 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCCCC1 ZINC000130263026 365937426 /nfs/dbraw/zinc/93/74/26/365937426.db2.gz UKSWZFAKNVTTNE-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM C[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000087724936 179477669 /nfs/dbraw/zinc/47/76/69/179477669.db2.gz HUJGMPRRYDDQJQ-VIFPVBQESA-N -1 0 294.307 2.273 20 5 CEBDRM O=C(NCC1CCSCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273441148 192151776 /nfs/dbraw/zinc/15/17/76/192151776.db2.gz NJXYKSGYOINHNL-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM C[C@H]1C[C@@H]1CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357307611 233041084 /nfs/dbraw/zinc/04/10/84/233041084.db2.gz DBEUYQQKSDUSPU-WCBMZHEXSA-N -1 0 274.280 2.135 20 5 CEBDRM O=C(Nc1ccn2ccnc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000619866862 349240601 /nfs/dbraw/zinc/24/06/01/349240601.db2.gz FOLMUIPFNJAOPG-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1Cc2ccccc2C1 ZINC000106289632 186107466 /nfs/dbraw/zinc/10/74/66/186107466.db2.gz IEMZBNAKWYZUIL-UHFFFAOYSA-N -1 0 284.271 2.456 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109093370 186243472 /nfs/dbraw/zinc/24/34/72/186243472.db2.gz XIQVISUALGEHLJ-DTWKUNHWSA-N -1 0 266.297 2.465 20 5 CEBDRM CSC[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119265210 186814166 /nfs/dbraw/zinc/81/41/66/186814166.db2.gz MAGIGEOIORWHEC-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM CC[C@@H](C)CO[N-]C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000292206406 198202018 /nfs/dbraw/zinc/20/20/18/198202018.db2.gz OBNKKEMPPZGWPU-SNVBAGLBSA-N -1 0 282.296 2.068 20 5 CEBDRM CSC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000155578845 188214360 /nfs/dbraw/zinc/21/43/60/188214360.db2.gz YHRVDDHOVVJSIK-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CCCc1nc(=NC(=O)c2ccc([N+](=O)[O-])cc2)s[n-]1 ZINC000338642314 366452005 /nfs/dbraw/zinc/45/20/05/366452005.db2.gz PQTIALAPYQLIBN-UHFFFAOYSA-N -1 0 292.320 2.073 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000339064308 366636155 /nfs/dbraw/zinc/63/61/55/366636155.db2.gz DZIGOOGEVSITND-CYBMUJFWSA-N -1 0 288.307 2.361 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237021562 370679716 /nfs/dbraw/zinc/67/97/16/370679716.db2.gz DFOAEABVKKUBPU-MRVPVSSYSA-N -1 0 280.280 2.164 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC000356372940 370683738 /nfs/dbraw/zinc/68/37/38/370683738.db2.gz ZBXAPKJBOMDRQS-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)[C@@](C)(O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000581669596 366808962 /nfs/dbraw/zinc/80/89/62/366808962.db2.gz ZMPCWADCRUPVOJ-AWEZNQCLSA-N -1 0 296.323 2.041 20 5 CEBDRM COC[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000581827335 366825652 /nfs/dbraw/zinc/82/56/52/366825652.db2.gz MZCYBHHUGQRKNO-QMMMGPOBSA-N -1 0 282.296 2.296 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017057185 361504260 /nfs/dbraw/zinc/50/42/60/361504260.db2.gz YNINHUMEFAIXSQ-QMMMGPOBSA-N -1 0 252.270 2.075 20 5 CEBDRM CC(C)[C@@H](CNc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000087507296 363858223 /nfs/dbraw/zinc/85/82/23/363858223.db2.gz BYOJFPJRKWHOIP-SECBINFHSA-N -1 0 252.270 2.364 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCS1 ZINC000092546650 364080578 /nfs/dbraw/zinc/08/05/78/364080578.db2.gz RHQKSGKYOVFKNT-JTQLQIEISA-N -1 0 268.294 2.135 20 5 CEBDRM CN(Cc1cscn1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356410595 370700358 /nfs/dbraw/zinc/70/03/58/370700358.db2.gz AFRMOZZYKSXNCE-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccnc1 ZINC000356552789 370752598 /nfs/dbraw/zinc/75/25/98/370752598.db2.gz SQUSIXPAMMUMQD-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H]2C)n1 ZINC000572124352 299347967 /nfs/dbraw/zinc/34/79/67/299347967.db2.gz RZGAMYONTOBFCH-APPZFPTMSA-N -1 0 279.296 2.231 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000112728205 364837217 /nfs/dbraw/zinc/83/72/17/364837217.db2.gz AXVJOUVMMPFDCE-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000119147103 365223689 /nfs/dbraw/zinc/22/36/89/365223689.db2.gz UBEHUQGKWHRURE-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000179494314 368341381 /nfs/dbraw/zinc/34/13/81/368341381.db2.gz CGCZPVSELPIQAR-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182151943 368529530 /nfs/dbraw/zinc/52/95/30/368529530.db2.gz KRRHLYMZMHYOER-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183395436 368626648 /nfs/dbraw/zinc/62/66/48/368626648.db2.gz COMDBFCZXXKIGR-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000346649463 368752054 /nfs/dbraw/zinc/75/20/54/368752054.db2.gz HTJFFZFGXXOBIX-GXFFZTMASA-N -1 0 296.348 2.343 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])sn1 ZINC000185674971 368839938 /nfs/dbraw/zinc/83/99/38/368839938.db2.gz HRVMCDNTMJOTFE-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355333746 370553375 /nfs/dbraw/zinc/55/33/75/370553375.db2.gz HVTVTZSWWVDHAZ-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(NCc1ccsc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236562123 370591831 /nfs/dbraw/zinc/59/18/31/370591831.db2.gz AJHVVDGHVHMJQO-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM O=C(Cc1ccco1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361658380 372010028 /nfs/dbraw/zinc/01/00/28/372010028.db2.gz FVULVRRHADXXAR-UHFFFAOYSA-N -1 0 262.221 2.075 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1C1CC1 ZINC000368422592 373240128 /nfs/dbraw/zinc/24/01/28/373240128.db2.gz QAUYZFPTTIVCPG-GFCCVEGCSA-N -1 0 276.292 2.315 20 5 CEBDRM CN(CC(C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272523209 373532655 /nfs/dbraw/zinc/53/26/55/373532655.db2.gz LLORFMBDGOLYFO-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000272680145 373612475 /nfs/dbraw/zinc/61/24/75/373612475.db2.gz NFLBJIBSCYKZRX-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM CC[C@@H](C)[C@@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000573688990 299452601 /nfs/dbraw/zinc/45/26/01/299452601.db2.gz ZDTKDTDIHOLJMM-PELKAZGASA-N -1 0 282.296 2.112 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(C[C@@H]3CCCO3)no2)cc1[O-] ZINC000276715088 374276386 /nfs/dbraw/zinc/27/63/86/374276386.db2.gz YKUDZCJJOUNVQF-VIFPVBQESA-N -1 0 291.263 2.072 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H]1C1CC1 ZINC000376897518 374753869 /nfs/dbraw/zinc/75/38/69/374753869.db2.gz RPBDSMOHAHNCHQ-LLVKDONJSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000057460451 304188664 /nfs/dbraw/zinc/18/86/64/304188664.db2.gz QYZSBAKPJJUKRX-CYBMUJFWSA-N -1 0 287.275 2.196 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000263521876 304192667 /nfs/dbraw/zinc/19/26/67/304192667.db2.gz RHQVJLXAPPKNSG-VIFPVBQESA-N -1 0 287.275 2.054 20 5 CEBDRM O=[N+]([O-])c1cccnc1[N-]c1cc2n(n1)CCCC2 ZINC000286582446 376003366 /nfs/dbraw/zinc/00/33/66/376003366.db2.gz REVRYQZIQUPDHP-UHFFFAOYSA-N -1 0 259.269 2.266 20 5 CEBDRM Cc1ccoc1CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000314661231 376780478 /nfs/dbraw/zinc/78/04/78/376780478.db2.gz XHCXBRCWEZPYTM-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM Cn1nc([N-]c2ncccc2[N+](=O)[O-])cc1C1CC1 ZINC000291217675 377124868 /nfs/dbraw/zinc/12/48/68/377124868.db2.gz VTAZBHGZPNIVSH-UHFFFAOYSA-N -1 0 259.269 2.344 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OC ZINC000295322583 378105528 /nfs/dbraw/zinc/10/55/28/378105528.db2.gz BDOVQRPHRRXATN-NOZJJQNGSA-N -1 0 296.323 2.091 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000295561968 378212998 /nfs/dbraw/zinc/21/29/98/378212998.db2.gz LJQUIDVUPMNXRV-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000295471807 378173408 /nfs/dbraw/zinc/17/34/08/378173408.db2.gz HWRUGDNPAMTCRU-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM O=C(Nc1cc(F)ccc1O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346828485 218025935 /nfs/dbraw/zinc/02/59/35/218025935.db2.gz NVKMMXBWUSQIGZ-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000543719043 380337888 /nfs/dbraw/zinc/33/78/88/380337888.db2.gz MGOJRWHZWUAWNP-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280957763 195044606 /nfs/dbraw/zinc/04/46/06/195044606.db2.gz MYUSIMTVTPQXDB-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM CCC[C@H]1C[C@@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262648530 131247150 /nfs/dbraw/zinc/24/71/50/131247150.db2.gz TWPGYOVZPSWWCZ-UFBFGSQYSA-N -1 0 292.291 2.211 20 5 CEBDRM Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000092026402 135075335 /nfs/dbraw/zinc/07/53/35/135075335.db2.gz OGFYPENQNLVZJU-LLVKDONJSA-N -1 0 293.323 2.379 20 5 CEBDRM CC1(C)C(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000356621632 394581180 /nfs/dbraw/zinc/58/11/80/394581180.db2.gz PRYZBFKNAQNARS-UHFFFAOYSA-N -1 0 278.308 2.465 20 5 CEBDRM Cc1ncsc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356806685 394619515 /nfs/dbraw/zinc/61/95/15/394619515.db2.gz UJFHLFVQKWJJGC-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCC(CC)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130323500 394885527 /nfs/dbraw/zinc/88/55/27/394885527.db2.gz GVYOCYOBDSHJHM-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])cc1 ZINC000436662890 395141907 /nfs/dbraw/zinc/14/19/07/395141907.db2.gz DTGHBBJSVBJUEC-UHFFFAOYSA-N -1 0 286.243 2.122 20 5 CEBDRM CC(C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671605 395143359 /nfs/dbraw/zinc/14/33/59/395143359.db2.gz AWLSMFABZUAKJY-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436955172 395166996 /nfs/dbraw/zinc/16/69/96/395166996.db2.gz ZUCREMUMMBDDFJ-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM Cc1noc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962507 395168118 /nfs/dbraw/zinc/16/81/18/395168118.db2.gz FGTKJOWPIBSMSU-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM CC(C)c1ccc(C(=O)N=c2cccn[n-]2)cc1[N+](=O)[O-] ZINC000439172975 395250094 /nfs/dbraw/zinc/25/00/94/395250094.db2.gz ZEXACWPJYDBNJA-UHFFFAOYSA-N -1 0 286.291 2.182 20 5 CEBDRM CCCc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000183905899 395266531 /nfs/dbraw/zinc/26/65/31/395266531.db2.gz OXZIIMMMQPAHIS-UHFFFAOYSA-N -1 0 290.279 2.228 20 5 CEBDRM C[C@@H](Sc1n[nH]c(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000446066005 395480201 /nfs/dbraw/zinc/48/02/01/395480201.db2.gz GJLSKZNFBWQNSM-ZCFIWIBFSA-N -1 0 266.282 2.272 20 5 CEBDRM CC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000446228131 395488409 /nfs/dbraw/zinc/48/84/09/395488409.db2.gz RNSGYZGFENYJLA-UHFFFAOYSA-N -1 0 290.231 2.348 20 5 CEBDRM CCCCOCCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316534 153298790 /nfs/dbraw/zinc/29/87/90/153298790.db2.gz FPKWXLGSYNXULC-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM CC(C)C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263066180 154012820 /nfs/dbraw/zinc/01/28/20/154012820.db2.gz OBQISLIYXGTQAX-VIFPVBQESA-N -1 0 281.312 2.336 20 5 CEBDRM CCC(=O)c1ccc(N(C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000263433580 154086097 /nfs/dbraw/zinc/08/60/97/154086097.db2.gz UMPNKJXQOYSDEJ-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM CC(=O)c1cc(N2CC[C@@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263441496 154087690 /nfs/dbraw/zinc/08/76/90/154087690.db2.gz XGCMKNHRGHUTQZ-CQSZACIVSA-N -1 0 292.291 2.098 20 5 CEBDRM Cc1cc(N(C)[C@@H](C)C(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000263510816 154112903 /nfs/dbraw/zinc/11/29/03/154112903.db2.gz NJBMNLOVALGATE-VIFPVBQESA-N -1 0 289.291 2.361 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331967041 154213535 /nfs/dbraw/zinc/21/35/35/154213535.db2.gz KUOVLDNICMOIKP-SNVBAGLBSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000408374652 165725339 /nfs/dbraw/zinc/72/53/39/165725339.db2.gz IODJSDQSGIMHJL-NOZJJQNGSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C([O-])CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000020474513 171218719 /nfs/dbraw/zinc/21/87/19/171218719.db2.gz FSLMCMKNQFGYHK-UHFFFAOYSA-N -1 0 256.233 2.401 20 5 CEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1[O-] ZINC000037326209 173127557 /nfs/dbraw/zinc/12/75/57/173127557.db2.gz VRHCCPDWINIIJU-UHFFFAOYSA-N -1 0 294.288 2.101 20 5 CEBDRM CO[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C)(C)C ZINC000565778421 298922160 /nfs/dbraw/zinc/92/21/60/298922160.db2.gz YPMJICJAHDBUOQ-VIFPVBQESA-N -1 0 297.311 2.161 20 5 CEBDRM CSCCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077024546 177154282 /nfs/dbraw/zinc/15/42/82/177154282.db2.gz ZRQVVVFHKXUHNH-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@](C)(F)C2)n1 ZINC000566917343 299029700 /nfs/dbraw/zinc/02/97/00/299029700.db2.gz IZVXPTZOJJOLAG-ZDUSSCGKSA-N -1 0 297.286 2.325 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000163965072 299830300 /nfs/dbraw/zinc/83/03/00/299830300.db2.gz XVLZMDCFIDEZCW-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000374784706 304504585 /nfs/dbraw/zinc/50/45/85/304504585.db2.gz UIINONUOVOTTSK-SNVBAGLBSA-N -1 0 276.292 2.173 20 5 CEBDRM CCC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000517750863 260115655 /nfs/dbraw/zinc/11/56/55/260115655.db2.gz TVZPIBICRLIZFQ-LBPRGKRZSA-N -1 0 266.297 2.280 20 5 CEBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000449132361 260237656 /nfs/dbraw/zinc/23/76/56/260237656.db2.gz ACLYHKFAGLYQAN-MRVPVSSYSA-N -1 0 298.295 2.197 20 5 CEBDRM CC(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184583272 262287320 /nfs/dbraw/zinc/28/73/20/262287320.db2.gz VUAUFFRYSVZMJM-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC(C)n1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000190590293 270269328 /nfs/dbraw/zinc/26/93/28/270269328.db2.gz ZEASXOGMIYFTHX-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000396353921 270349224 /nfs/dbraw/zinc/34/92/24/270349224.db2.gz HMBWVQTZDBHXGC-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H]3C2)n1 ZINC000566563379 299003441 /nfs/dbraw/zinc/00/34/41/299003441.db2.gz GJFTZIMLSUYZKK-NXEZZACHSA-N -1 0 291.307 2.233 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263201306 302040718 /nfs/dbraw/zinc/04/07/18/302040718.db2.gz MKLVBIGSURELOG-GXSJLCMTSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ncsc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000355939499 302725361 /nfs/dbraw/zinc/72/53/61/302725361.db2.gz AQRFIJXYYFLUGZ-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cc(NCC[C@@H](O)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565037015 313791774 /nfs/dbraw/zinc/79/17/74/313791774.db2.gz ZGKJDBFIZODKHU-GFCCVEGCSA-N -1 0 296.323 2.420 20 5 CEBDRM CCOCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567113604 313885518 /nfs/dbraw/zinc/88/55/18/313885518.db2.gz GDXUIYCKTGYRHF-UHFFFAOYSA-N -1 0 282.296 2.060 20 5 CEBDRM Cc1cc(N(C)C[C@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567170236 313889193 /nfs/dbraw/zinc/88/91/93/313889193.db2.gz UHDRRURVCOFCAB-LLVKDONJSA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000568397836 313950415 /nfs/dbraw/zinc/95/04/15/313950415.db2.gz CVAQTKNYHALQKF-BQBZGAKWSA-N -1 0 284.699 2.434 20 5 CEBDRM O=C([O-])c1cc(N2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000577116914 314342877 /nfs/dbraw/zinc/34/28/77/314342877.db2.gz GLETYDWIJBQQEF-QMMMGPOBSA-N -1 0 268.244 2.231 20 5 CEBDRM CC[C@@H]1C[C@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000388035399 321881776 /nfs/dbraw/zinc/88/17/76/321881776.db2.gz QETVFOHJPRLPQN-SFYZADRCSA-N -1 0 265.269 2.146 20 5 CEBDRM C[C@H](CN(C)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-] ZINC000042704012 534032407 /nfs/dbraw/zinc/03/24/07/534032407.db2.gz PKNHUTHRSMZPHH-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cccc1C(=O)[O-] ZINC000061857161 525861995 /nfs/dbraw/zinc/86/19/95/525861995.db2.gz DKIIHHQSVHFPTA-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1 ZINC000068038797 526088258 /nfs/dbraw/zinc/08/82/58/526088258.db2.gz KEYCWEPVBVOULY-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(OCCc1ccsc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000726336829 574425646 /nfs/dbraw/zinc/42/56/46/574425646.db2.gz PIYHZHIJLRMBLH-UHFFFAOYSA-N -1 0 266.278 2.384 20 5 CEBDRM O=C([O-])N1CC[C@@H](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000740497656 574466668 /nfs/dbraw/zinc/46/66/68/574466668.db2.gz PBRSXPJJFIXUKM-MRVPVSSYSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C([O-])CCCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738580214 574481546 /nfs/dbraw/zinc/48/15/46/574481546.db2.gz JFZCJVOTCSKFBK-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000739598108 574489990 /nfs/dbraw/zinc/48/99/90/574489990.db2.gz RQAOCFRVBQFKCO-SSDOTTSWSA-N -1 0 293.304 2.115 20 5 CEBDRM C/C=C/C=C\C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736834444 574798046 /nfs/dbraw/zinc/79/80/46/574798046.db2.gz ITDAGTFMMIHKSL-IAROGAJJSA-N -1 0 276.248 2.364 20 5 CEBDRM CC(C)N(CCCNc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000738847862 574881781 /nfs/dbraw/zinc/88/17/81/574881781.db2.gz GKHFEWGYXLKYOX-UHFFFAOYSA-N -1 0 282.300 2.180 20 5 CEBDRM C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739193787 574899079 /nfs/dbraw/zinc/89/90/79/574899079.db2.gz MMZMWRCJROTCSB-UWVGGRQHSA-N -1 0 279.296 2.172 20 5 CEBDRM O=C([O-])N1CC[C@@H](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000740499460 574956664 /nfs/dbraw/zinc/95/66/64/574956664.db2.gz ZXOBRBOTAMRKPA-MRVPVSSYSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C([O-])N[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740598233 574960939 /nfs/dbraw/zinc/96/09/39/574960939.db2.gz LAUOXQOOJWJHIV-QMMMGPOBSA-N -1 0 285.687 2.095 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000833186383 600873371 /nfs/dbraw/zinc/87/33/71/600873371.db2.gz DYNSDNNSGINNBI-ZJUUUORDSA-N -1 0 293.275 2.391 20 5 CEBDRM CC(C)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000094702466 600926995 /nfs/dbraw/zinc/92/69/95/600926995.db2.gz KEERHEKNZIHYAB-NSHDSACASA-N -1 0 294.307 2.072 20 5 CEBDRM CC[C@@](C)(CO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000828685769 601140629 /nfs/dbraw/zinc/14/06/29/601140629.db2.gz QXHOUBSHBXOQPV-VSKVDJIOSA-N -1 0 294.307 2.266 20 5 CEBDRM C/C(=C\COC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000825770196 601409537 /nfs/dbraw/zinc/40/95/37/601409537.db2.gz WMUYIQNFEWHHLI-RMKNXTFCSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1cc(N2C[C@H](C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000223796441 601564025 /nfs/dbraw/zinc/56/40/25/601564025.db2.gz YRRPYSAAARHOSE-KOLCDFICSA-N -1 0 264.281 2.060 20 5 CEBDRM O=C([O-])CCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000833224749 601830634 /nfs/dbraw/zinc/83/06/34/601830634.db2.gz WOYPIGWMYHUMLT-UHFFFAOYSA-N -1 0 279.296 2.071 20 5 CEBDRM CCOCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830012360 602251682 /nfs/dbraw/zinc/25/16/82/602251682.db2.gz ZKHSGQAPOMNQLR-UHFFFAOYSA-N -1 0 288.687 2.395 20 5 CEBDRM C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C(=O)[O-] ZINC000220638777 602832313 /nfs/dbraw/zinc/83/23/13/602832313.db2.gz NWUGJRNZTZQKDA-GHMZBOCLSA-N -1 0 293.323 2.167 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000829510354 603191518 /nfs/dbraw/zinc/19/15/18/603191518.db2.gz GXGTWVWHPSDCTD-LLVKDONJSA-N -1 0 297.311 2.308 20 5 CEBDRM Cc1ccc(N2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000830339887 603442878 /nfs/dbraw/zinc/44/28/78/603442878.db2.gz HDBQIXQBNPGREA-UHFFFAOYSA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1cc(NCCCN(C(=O)[O-])C2CC2)ncc1[N+](=O)[O-] ZINC000830122051 603890545 /nfs/dbraw/zinc/89/05/45/603890545.db2.gz JDXPRMJDMKUDCD-UHFFFAOYSA-N -1 0 294.311 2.243 20 5 CEBDRM CCOc1cc(NCC(C)(C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000827418681 604218280 /nfs/dbraw/zinc/21/82/80/604218280.db2.gz RURIMGGZKQHFMF-UHFFFAOYSA-N -1 0 297.311 2.452 20 5 CEBDRM Cc1cc(N2CCOC[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000833746265 604466854 /nfs/dbraw/zinc/46/68/54/604466854.db2.gz WHPNYZPKAGIAPV-SECBINFHSA-N -1 0 294.307 2.074 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cc(F)ccc2[N+](=O)[O-])O1 ZINC000833576668 604884910 /nfs/dbraw/zinc/88/49/10/604884910.db2.gz CMPVSBSLNJILQB-SECBINFHSA-N -1 0 297.238 2.260 20 5 CEBDRM CC(C)OC(=O)CSc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833503188 605187264 /nfs/dbraw/zinc/18/72/64/605187264.db2.gz YHRYPKKXTRVJPK-UHFFFAOYSA-N -1 0 299.304 2.337 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000825845329 605481366 /nfs/dbraw/zinc/48/13/66/605481366.db2.gz ORRAFUHCVLWBIO-BDAKNGLRSA-N -1 0 297.286 2.359 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000825846573 605491381 /nfs/dbraw/zinc/49/13/81/605491381.db2.gz WHIDPCUAQWZPIT-WCBMZHEXSA-N -1 0 297.286 2.359 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000833818600 605498714 /nfs/dbraw/zinc/49/87/14/605498714.db2.gz QELNCCOKFSSKGL-JGVFFNPUSA-N -1 0 285.325 2.139 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CCNC(=O)[O-] ZINC000833907306 605541449 /nfs/dbraw/zinc/54/14/49/605541449.db2.gz GDQWCHARIVWGET-SECBINFHSA-N -1 0 296.279 2.165 20 5 CEBDRM CCOc1cc(N(C)[C@H](C)CNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861541 605727409 /nfs/dbraw/zinc/72/74/09/605727409.db2.gz LMTJPFRSVLSRLU-SECBINFHSA-N -1 0 297.311 2.086 20 5 CEBDRM CCOc1cc(N2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861592 605754625 /nfs/dbraw/zinc/75/46/25/605754625.db2.gz NJRWVSDEVQIRFA-UHFFFAOYSA-N -1 0 281.268 2.099 20 5 CEBDRM CS[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075178486 625286138 /nfs/dbraw/zinc/28/61/38/625286138.db2.gz WKZZFJBDGQRHRA-NXEZZACHSA-N -1 0 296.348 2.314 20 5 CEBDRM CSCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000890873861 623031069 /nfs/dbraw/zinc/03/10/69/623031069.db2.gz BBKBVBDXRTVNMQ-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062843636 628215941 /nfs/dbraw/zinc/21/59/41/628215941.db2.gz MOBXVSNLQLPLCI-UHFFFAOYSA-N -1 0 264.281 2.286 20 5 CEBDRM CCc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000236964280 629133655 /nfs/dbraw/zinc/13/36/55/629133655.db2.gz FNOQJSYKPLYLAA-VIFPVBQESA-N -1 0 294.307 2.140 20 5 CEBDRM CC(C)(C(=O)[N-]OC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000812793104 632582012 /nfs/dbraw/zinc/58/20/12/632582012.db2.gz OKUDISFIOWIPSD-UHFFFAOYSA-N -1 0 278.308 2.473 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000899405917 632835441 /nfs/dbraw/zinc/83/54/41/632835441.db2.gz QXNLFVDEYWYLLE-UMGHXEBTSA-N -1 0 290.319 2.322 20 5 CEBDRM Cc1nsc(C)c1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000816342732 633176209 /nfs/dbraw/zinc/17/62/09/633176209.db2.gz DOCSNERJFZSXQJ-UHFFFAOYSA-N -1 0 281.293 2.353 20 5 CEBDRM Cc1cc(F)cc(C(=O)N[C@@H](C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000237525594 634274943 /nfs/dbraw/zinc/27/49/43/634274943.db2.gz HQBUTHPLPZGZHG-QMMMGPOBSA-N -1 0 298.270 2.025 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000906148589 636624932 /nfs/dbraw/zinc/62/49/32/636624932.db2.gz KXKOYNRWYUFPMH-UHFFFAOYSA-N -1 0 282.271 2.160 20 5 CEBDRM COCC1(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000829870565 636947620 /nfs/dbraw/zinc/94/76/20/636947620.db2.gz POMAZGCQMNEGAX-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCS1 ZINC000837553970 639279729 /nfs/dbraw/zinc/27/97/29/639279729.db2.gz CURQMBXLNRMMDZ-LLVKDONJSA-N -1 0 283.305 2.239 20 5 CEBDRM CC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000837576192 639290352 /nfs/dbraw/zinc/29/03/52/639290352.db2.gz ULEFKLZYFNCANA-UHFFFAOYSA-N -1 0 251.238 2.144 20 5 CEBDRM CC(C)(C)C[C@@H](O)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837592611 639298241 /nfs/dbraw/zinc/29/82/41/639298241.db2.gz PKPJVCDBUQCUII-GFCCVEGCSA-N -1 0 297.307 2.141 20 5 CEBDRM CC[C@H](C)OCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837593168 639299125 /nfs/dbraw/zinc/29/91/25/639299125.db2.gz NURJAVFZMIVMIQ-VIFPVBQESA-N -1 0 283.280 2.159 20 5 CEBDRM O=C(CCC(F)F)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837695877 639345986 /nfs/dbraw/zinc/34/59/86/639345986.db2.gz LRKCGDJMCPSFNW-UHFFFAOYSA-N -1 0 275.207 2.389 20 5 CEBDRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837703584 639350644 /nfs/dbraw/zinc/35/06/44/639350644.db2.gz GWJJJJPUEGIJRF-KKFJDGPESA-N -1 0 295.291 2.157 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000834662012 640430197 /nfs/dbraw/zinc/43/01/97/640430197.db2.gz WKLNAKDSBJSPFD-DTWKUNHWSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])c1cc(NC[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000915211478 640527614 /nfs/dbraw/zinc/52/76/14/640527614.db2.gz UACNSLDJRCXFAT-NSHDSACASA-N -1 0 292.247 2.032 20 5 CEBDRM O=C(OCCCc1cncs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000847777343 641768252 /nfs/dbraw/zinc/76/82/52/641768252.db2.gz PONZHPBUXKWIEB-UHFFFAOYSA-N -1 0 281.293 2.169 20 5 CEBDRM O=C(OC[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000847835528 641801115 /nfs/dbraw/zinc/80/11/15/641801115.db2.gz ALQLDOJAIMRMKP-SNVBAGLBSA-N -1 0 287.275 2.205 20 5 CEBDRM O=C([O-])C1(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCC1 ZINC000852913382 643596690 /nfs/dbraw/zinc/59/66/90/643596690.db2.gz RZHHMTVKYUOKRY-UHFFFAOYSA-N -1 0 295.251 2.170 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000852913391 643596725 /nfs/dbraw/zinc/59/67/25/643596725.db2.gz SFQCLCSFSOHCLQ-SNVBAGLBSA-N -1 0 279.296 2.090 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000871519929 649095049 /nfs/dbraw/zinc/09/50/49/649095049.db2.gz QBKRSOIJMGKNBM-PHIMTYICSA-N -1 0 288.303 2.339 20 5 CEBDRM O=Cc1c[nH]nc1C=Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000129544309 652010953 /nfs/dbraw/zinc/01/09/53/652010953.db2.gz NRGUENNFZUTCMK-HNQUOIGGSA-N -1 0 259.221 2.006 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000705431166 802436449 /nfs/dbraw/zinc/43/64/49/802436449.db2.gz QJHZUMDHCJSZEF-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM O=C(Nc1ccsn1)c1cccc([N+](=O)[O-])c1[O-] ZINC000705808219 802540905 /nfs/dbraw/zinc/54/09/05/802540905.db2.gz XVMYGZABIPTBQK-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000693516549 803018822 /nfs/dbraw/zinc/01/88/22/803018822.db2.gz XTNCKYGWFLLSLH-BXKDBHETSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ncc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000918537042 807977437 /nfs/dbraw/zinc/97/74/37/807977437.db2.gz GJWYVSLTRBQWFS-UHFFFAOYSA-N -1 0 267.266 2.045 20 5 CEBDRM Cc1cc(N2CC[C@H](CF)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000711489110 810077924 /nfs/dbraw/zinc/07/79/24/810077924.db2.gz IKBQUUMEYDIKFV-SECBINFHSA-N -1 0 282.271 2.397 20 5 CEBDRM C[C@H](Cc1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000772138973 811984875 /nfs/dbraw/zinc/98/48/75/811984875.db2.gz YBFIUPJEVFCEBJ-SECBINFHSA-N -1 0 290.275 2.254 20 5 CEBDRM O=C([O-])c1ccc(Nc2nonc2C2CC2)cc1[N+](=O)[O-] ZINC001174503522 816030460 /nfs/dbraw/zinc/03/04/60/816030460.db2.gz DKXQQPATHVWNGH-UHFFFAOYSA-N -1 0 290.235 2.297 20 5 CEBDRM Cc1ncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176674676 816453990 /nfs/dbraw/zinc/45/39/90/816453990.db2.gz OBJXZLHITTUOTD-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM Cc1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc1C ZINC001176673649 816454131 /nfs/dbraw/zinc/45/41/31/816454131.db2.gz ZPNVTSIXWBWUHW-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM C[C@H](NC(=O)CCCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000037788574 361939802 /nfs/dbraw/zinc/93/98/02/361939802.db2.gz HZGVCLXJZVTFKP-JTQLQIEISA-N -1 0 294.307 2.417 20 5 CEBDRM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601943631 346935907 /nfs/dbraw/zinc/93/59/07/346935907.db2.gz SCSSGVGQZPWQEV-SSDOTTSWSA-N -1 0 265.244 2.483 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2ccc(CN=c3[n-]nco3)o2)cc1 ZINC000351419796 219096605 /nfs/dbraw/zinc/09/66/05/219096605.db2.gz QUROILGWTHDJDU-UHFFFAOYSA-N -1 0 286.247 2.272 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000128562031 365795861 /nfs/dbraw/zinc/79/58/61/365795861.db2.gz PQVNXUWEMGJIHH-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091978624 344174730 /nfs/dbraw/zinc/17/47/30/344174730.db2.gz NMDOZKDVFYKFCM-GJZGRUSLSA-N -1 0 292.335 2.444 20 5 CEBDRM Cc1nc(NC[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000123468747 344310082 /nfs/dbraw/zinc/31/00/82/344310082.db2.gz METJABAQCIIVKP-SECBINFHSA-N -1 0 267.285 2.067 20 5 CEBDRM Cc1nc(N2CCC[C@@H](CCC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000123394173 344310223 /nfs/dbraw/zinc/31/02/23/344310223.db2.gz RSJFIZTXFDMTOA-NSHDSACASA-N -1 0 293.323 2.379 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000152511107 344425709 /nfs/dbraw/zinc/42/57/09/344425709.db2.gz LTWKTTZNJGLRQS-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM COc1cccc(N2CCC[C@@H](CC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134884720 344378492 /nfs/dbraw/zinc/37/84/92/344378492.db2.gz UHDMIJZZIPIQKW-JTQLQIEISA-N -1 0 294.307 2.295 20 5 CEBDRM C[C@@H]1C[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000159368951 344454707 /nfs/dbraw/zinc/45/47/07/344454707.db2.gz VGKQHQAAZSRJDC-VXNVDRBHSA-N -1 0 250.254 2.361 20 5 CEBDRM C[C@@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166765987 344476797 /nfs/dbraw/zinc/47/67/97/344476797.db2.gz MWXUQCREYDHWHS-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000166851997 344477524 /nfs/dbraw/zinc/47/75/24/344477524.db2.gz PFQJFLMXYRKQMO-ZETCQYMHSA-N -1 0 265.269 2.146 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050195939 362410062 /nfs/dbraw/zinc/41/00/62/362410062.db2.gz JWCHBGPKEATKRZ-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000302704808 344704325 /nfs/dbraw/zinc/70/43/25/344704325.db2.gz WQRGBSILBSJKRS-SFYZADRCSA-N -1 0 268.244 2.399 20 5 CEBDRM CN(CC(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338954065 282361186 /nfs/dbraw/zinc/36/11/86/282361186.db2.gz VYFRDJBKCOUHRY-UHFFFAOYSA-N -1 0 296.323 2.074 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1F ZINC000586805243 345024092 /nfs/dbraw/zinc/02/40/92/345024092.db2.gz OAVRLCYMCSSXHJ-LDYMZIIASA-N -1 0 282.271 2.121 20 5 CEBDRM Cc1cc(N[C@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968603 345417149 /nfs/dbraw/zinc/41/71/49/345417149.db2.gz SQSMOAVVFMDDEX-RYUDHWBXSA-N -1 0 294.307 2.317 20 5 CEBDRM C[C@H]1COCC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592976955 345417702 /nfs/dbraw/zinc/41/77/02/345417702.db2.gz OQVHURCNMXIKFK-GXSJLCMTSA-N -1 0 294.307 2.059 20 5 CEBDRM C[C@@H]1COCC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592976956 345417826 /nfs/dbraw/zinc/41/78/26/345417826.db2.gz OQVHURCNMXIKFK-KOLCDFICSA-N -1 0 294.307 2.059 20 5 CEBDRM CC1(C)CC[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000592979379 345417861 /nfs/dbraw/zinc/41/78/61/345417861.db2.gz HOYYFAASHIHOID-VIFPVBQESA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(NC[C@H]2CC[C@@H](O)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592975611 345417882 /nfs/dbraw/zinc/41/78/82/345417882.db2.gz UZBMVNZMEJMYJA-VHSXEESVSA-N -1 0 294.307 2.174 20 5 CEBDRM C[C@H](F)CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592979573 345418532 /nfs/dbraw/zinc/41/85/32/345418532.db2.gz VINAFIHEHKCZDP-ZETCQYMHSA-N -1 0 256.233 2.453 20 5 CEBDRM O=C([O-])[C@@H]1CC12CCN(c1sccc1[N+](=O)[O-])CC2 ZINC000592980936 345418595 /nfs/dbraw/zinc/41/85/95/345418595.db2.gz QLCMUXNSICJQLA-QMMMGPOBSA-N -1 0 282.321 2.347 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])CC(F)F ZINC000592826243 345400590 /nfs/dbraw/zinc/40/05/90/345400590.db2.gz QEOQNPHKRYMICJ-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593755902 345533087 /nfs/dbraw/zinc/53/30/87/345533087.db2.gz UXDWIMMTDOFWLQ-JLLWLGSASA-N -1 0 292.291 2.333 20 5 CEBDRM CC1(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC=CC1 ZINC000594382749 345619433 /nfs/dbraw/zinc/61/94/33/345619433.db2.gz LREQEOATUKTGCW-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)[O-] ZINC000594541125 345645694 /nfs/dbraw/zinc/64/56/94/345645694.db2.gz PEJIJNRKKPDMPU-QMMMGPOBSA-N -1 0 279.296 2.001 20 5 CEBDRM CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H](C)C(=O)[O-] ZINC000595280772 345753986 /nfs/dbraw/zinc/75/39/86/345753986.db2.gz HRMZFJNHQGPRPE-SNVBAGLBSA-N -1 0 294.307 2.147 20 5 CEBDRM C[C@@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000597491015 346193279 /nfs/dbraw/zinc/19/32/79/346193279.db2.gz CXLYYSBFAXDYJJ-ZANVPECISA-N -1 0 294.307 2.444 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598191768 346302610 /nfs/dbraw/zinc/30/26/10/346302610.db2.gz RWWICSFKQIAFDX-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC1CC(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000598735278 346411828 /nfs/dbraw/zinc/41/18/28/346411828.db2.gz MZBONDAGXCEJAC-UHFFFAOYSA-N -1 0 265.269 2.146 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC[C@H]2CC2(F)F)n1 ZINC000598736438 346411895 /nfs/dbraw/zinc/41/18/95/346411895.db2.gz WOAYMENQPSJADV-LURJTMIESA-N -1 0 287.222 2.145 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC(CC2CC2)C1 ZINC000598782344 346419338 /nfs/dbraw/zinc/41/93/38/346419338.db2.gz ZCOQLLPDIXQZGP-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598785018 346420015 /nfs/dbraw/zinc/42/00/15/346420015.db2.gz WGNYLTQWKJGWDN-MRVPVSSYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC1CC(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000598906655 346432925 /nfs/dbraw/zinc/43/29/25/346432925.db2.gz RRDTVUSKZXZDQA-UHFFFAOYSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@H]1C[C@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000601064393 346742146 /nfs/dbraw/zinc/74/21/46/346742146.db2.gz NASPMUWLPGNDJM-OIBJUYFYSA-N -1 0 292.270 2.274 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC2(CC2)CC1 ZINC000611556470 347794020 /nfs/dbraw/zinc/79/40/20/347794020.db2.gz BUCRIBRKEJADCC-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1F ZINC000611521516 347790631 /nfs/dbraw/zinc/79/06/31/347790631.db2.gz NZPQLTHCMAIRNA-CABZTGNLSA-N -1 0 268.288 2.480 20 5 CEBDRM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1F ZINC000611521517 347790673 /nfs/dbraw/zinc/79/06/73/347790673.db2.gz NZPQLTHCMAIRNA-JOYOIKCWSA-N -1 0 268.288 2.480 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535297 347791982 /nfs/dbraw/zinc/79/19/82/347791982.db2.gz CPQDHIDAUSOCNZ-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1F ZINC000611535886 347792244 /nfs/dbraw/zinc/79/22/44/347792244.db2.gz FCLKEFBRUDALPL-KCJUWKMLSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000090097264 179913739 /nfs/dbraw/zinc/91/37/39/179913739.db2.gz WTDGALMXDOGTSC-MRVPVSSYSA-N -1 0 298.320 2.130 20 5 CEBDRM CC(C)=CCCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569813346 299220478 /nfs/dbraw/zinc/22/04/78/299220478.db2.gz FGDXGDBQRFFSOW-UHFFFAOYSA-N -1 0 279.296 2.187 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137089341 366535250 /nfs/dbraw/zinc/53/52/50/366535250.db2.gz VZTFLWCHXQEHAB-BXKDBHETSA-N -1 0 294.307 2.132 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CCC[C@H]3F)[n-]2)cc1 ZINC000338844075 366543913 /nfs/dbraw/zinc/54/39/13/366543913.db2.gz PNWYCTJJHFUDDW-GHMZBOCLSA-N -1 0 292.270 2.369 20 5 CEBDRM O=[N+]([O-])c1cnc([N-]c2cnn(Cc3ccccc3)c2)nc1 ZINC000302113561 201345621 /nfs/dbraw/zinc/34/56/21/201345621.db2.gz QNPIQVHPLADJGT-UHFFFAOYSA-N -1 0 296.290 2.373 20 5 CEBDRM CCC[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000087488056 363857130 /nfs/dbraw/zinc/85/71/30/363857130.db2.gz PCQFMOBUDGNEPU-SNVBAGLBSA-N -1 0 294.307 2.134 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(OCC)c1 ZINC000111613768 364747100 /nfs/dbraw/zinc/74/71/00/364747100.db2.gz DPBCIKIDZNOQQF-UHFFFAOYSA-N -1 0 282.296 2.295 20 5 CEBDRM CCOc1cc(N2CCC[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000113323895 364888094 /nfs/dbraw/zinc/88/80/94/364888094.db2.gz AHDDLZVJSIHEPC-NSHDSACASA-N -1 0 280.280 2.047 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000582787809 366957043 /nfs/dbraw/zinc/95/70/43/366957043.db2.gz RVZFLGKBJHYMNJ-UWVGGRQHSA-N -1 0 282.271 2.311 20 5 CEBDRM CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583936495 367117358 /nfs/dbraw/zinc/11/73/58/367117358.db2.gz CZKZGVLZFSCKIZ-UHFFFAOYSA-N -1 0 258.661 2.046 20 5 CEBDRM C/C=C\C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000584447249 367158701 /nfs/dbraw/zinc/15/87/01/367158701.db2.gz CLDBUAIKAQSMNL-QUCGXOGASA-N -1 0 293.279 2.136 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCC(CC)(CC)C(=O)[O-] ZINC000165063011 367302014 /nfs/dbraw/zinc/30/20/14/367302014.db2.gz AILBDRGVUVBGGT-UHFFFAOYSA-N -1 0 298.343 2.423 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H]1C(F)F ZINC000343380584 367781578 /nfs/dbraw/zinc/78/15/78/367781578.db2.gz KWDQWPKNVWCIDA-QMMMGPOBSA-N -1 0 286.234 2.170 20 5 CEBDRM CSC[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182129024 368526271 /nfs/dbraw/zinc/52/62/71/368526271.db2.gz JNMOZTBURKAQCD-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC000185222329 368771261 /nfs/dbraw/zinc/77/12/61/368771261.db2.gz WAFYBNKDBQSHGO-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]1CCSCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000190063228 369592296 /nfs/dbraw/zinc/59/22/96/369592296.db2.gz BLEKHMDHOMQAOW-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000235764392 370577242 /nfs/dbraw/zinc/57/72/42/370577242.db2.gz LQCNOIYMMPVQAW-ZJUUUORDSA-N -1 0 292.291 2.343 20 5 CEBDRM CC(C)CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236696702 370609624 /nfs/dbraw/zinc/60/96/24/370609624.db2.gz OWKVNTWILVGNBB-UHFFFAOYSA-N -1 0 294.307 2.459 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000359755422 371482681 /nfs/dbraw/zinc/48/26/81/371482681.db2.gz ZSOZMIHPAGYSAH-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM CC[C@H](C)[C@H](Nc1ccc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000262138504 371829101 /nfs/dbraw/zinc/82/91/01/371829101.db2.gz PCOQCJWGRBVIHX-CPCISQLKSA-N -1 0 267.285 2.209 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269286813 372408459 /nfs/dbraw/zinc/40/84/59/372408459.db2.gz NVSFAHDSRAOTJJ-QPUJVOFHSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@H]2CCCC[C@H]21 ZINC000368247021 373228659 /nfs/dbraw/zinc/22/86/59/373228659.db2.gz WNVDHDNESAIMTH-GHMZBOCLSA-N -1 0 276.292 2.315 20 5 CEBDRM CCN(CC1CC1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272481132 373507997 /nfs/dbraw/zinc/50/79/97/373507997.db2.gz GBTHQHQMFMCQTO-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1C ZINC000272680146 373612274 /nfs/dbraw/zinc/61/22/74/373612274.db2.gz NFLBJIBSCYKZRX-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)(F)F ZINC000389565968 375306398 /nfs/dbraw/zinc/30/63/98/375306398.db2.gz WEVSFSYAALYZOI-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000408409736 375474141 /nfs/dbraw/zinc/47/41/41/375474141.db2.gz CELHIOVLBHCUDJ-MWLCHTKSSA-N -1 0 276.292 2.315 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NC[C@@H]2CC23CCSCC3)s1 ZINC000420655772 376701756 /nfs/dbraw/zinc/70/17/56/376701756.db2.gz SLTIUXHXZGEFPK-QMMMGPOBSA-N -1 0 285.394 2.418 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000313779575 376754206 /nfs/dbraw/zinc/75/42/06/376754206.db2.gz AJYYEWICGYTOJD-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000424970625 377316064 /nfs/dbraw/zinc/31/60/64/377316064.db2.gz NPAHLBXKZYSTSS-NWDGAFQWSA-N -1 0 276.292 2.219 20 5 CEBDRM CCOCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293315747 377517749 /nfs/dbraw/zinc/51/77/49/377517749.db2.gz FJKKLKDNUOEWDS-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000565036104 377537843 /nfs/dbraw/zinc/53/78/43/377537843.db2.gz SRXKGQAVJAOUNE-SNVBAGLBSA-N -1 0 296.348 2.387 20 5 CEBDRM Cc1cc(N(C)C[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000042703930 249298806 /nfs/dbraw/zinc/29/88/06/249298806.db2.gz QHZAAQMXDKRLCB-SECBINFHSA-N -1 0 252.270 2.060 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2C[C@@H]3OCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000565367348 377651371 /nfs/dbraw/zinc/65/13/71/377651371.db2.gz LJKIQQDXJBZBAL-XWIASGKRSA-N -1 0 292.291 2.272 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000293773048 377751614 /nfs/dbraw/zinc/75/16/14/377751614.db2.gz QXWYMHBHZCUTJL-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM CO[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000566291395 377752542 /nfs/dbraw/zinc/75/25/42/377752542.db2.gz QDNQWDZTVAHPQI-JTQLQIEISA-N -1 0 297.311 2.161 20 5 CEBDRM CC(C)C1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000293975644 377855175 /nfs/dbraw/zinc/85/51/75/377855175.db2.gz RETZPNCSJNLPIO-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C([O-])c1cc(C(=O)N[C@H]2C=CCCC2)cc([N+](=O)[O-])c1 ZINC000237984356 304223225 /nfs/dbraw/zinc/22/32/25/304223225.db2.gz OMRPZFGTXOJSIT-NSHDSACASA-N -1 0 290.275 2.132 20 5 CEBDRM CN(Cc1nccs1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353725166 220284875 /nfs/dbraw/zinc/28/48/75/220284875.db2.gz WCEKYVIJBOLIEW-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000179531424 533183169 /nfs/dbraw/zinc/18/31/69/533183169.db2.gz WCJMSDZSPRTNSE-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(C[C@@H]1CCCC[C@H]1O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000281403514 195228651 /nfs/dbraw/zinc/22/86/51/195228651.db2.gz YTSPSTZYYKSVSG-JOYOIKCWSA-N -1 0 294.307 2.180 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160338526 533504829 /nfs/dbraw/zinc/50/48/29/533504829.db2.gz XAXWEUJQPIVUIO-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)c1ccc(C(=O)NCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000262941948 131274893 /nfs/dbraw/zinc/27/48/93/131274893.db2.gz CKZHSPDYACRZPK-UHFFFAOYSA-N -1 0 294.307 2.313 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000308568082 394528927 /nfs/dbraw/zinc/52/89/27/394528927.db2.gz UVZJZFGTFKMKFZ-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM Cc1ncccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356800158 394617503 /nfs/dbraw/zinc/61/75/03/394617503.db2.gz FFGUDRJQIPZVFC-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCOCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000282017524 394897016 /nfs/dbraw/zinc/89/70/16/394897016.db2.gz RVNSMFHIEXRZDJ-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM CCSCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000282025365 394898634 /nfs/dbraw/zinc/89/86/34/394898634.db2.gz JVAGIKCEKYYDNJ-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000416316681 395054279 /nfs/dbraw/zinc/05/42/79/395054279.db2.gz HOFBOJHYFYHQBY-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM CC(C)C1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436612278 395134538 /nfs/dbraw/zinc/13/45/38/395134538.db2.gz QFTFHSXIGOKSTH-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436966611 395168856 /nfs/dbraw/zinc/16/88/56/395168856.db2.gz NWJMTKOEUIQBRF-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000436975381 395169557 /nfs/dbraw/zinc/16/95/57/395169557.db2.gz KAQDYTWLCPRMPW-NSHDSACASA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436999104 395172866 /nfs/dbraw/zinc/17/28/66/395172866.db2.gz IXBILAWCWCEIJT-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM COc1cc(N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000566297496 395510873 /nfs/dbraw/zinc/51/08/73/395510873.db2.gz MSQULYURRGNKFM-YMTOWFKASA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@H](F)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566297000 395510973 /nfs/dbraw/zinc/51/09/73/395510973.db2.gz JYBJLEUNUNWBAC-ZETCQYMHSA-N -1 0 256.233 2.453 20 5 CEBDRM O=C([O-])c1c(-c2ccc([N+](=O)[O-])cc2)nc2n1CCCC2 ZINC000566493215 395531036 /nfs/dbraw/zinc/53/10/36/395531036.db2.gz ABUQFJNGJPUELY-UHFFFAOYSA-N -1 0 287.275 2.493 20 5 CEBDRM C[C@H]1OCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000189795170 153109127 /nfs/dbraw/zinc/10/91/27/153109127.db2.gz AKFZUWUAERZSFF-PSASIEDQSA-N -1 0 280.280 2.054 20 5 CEBDRM Cc1ncccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315930 153295918 /nfs/dbraw/zinc/29/59/18/153295918.db2.gz FVVBKAFETNVQSC-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236617644 153446417 /nfs/dbraw/zinc/44/64/17/153446417.db2.gz FGMQLIXSRCYTTI-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000263275010 154049063 /nfs/dbraw/zinc/04/90/63/154049063.db2.gz WNNIIBKTQLQVSP-JTQLQIEISA-N -1 0 294.307 2.195 20 5 CEBDRM C[C@@H](CN(C)c1nccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000263556643 154126352 /nfs/dbraw/zinc/12/63/52/154126352.db2.gz OSAAMBFSGUCTKJ-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H]1C1CC1 ZINC000368422593 156341492 /nfs/dbraw/zinc/34/14/92/156341492.db2.gz QAUYZFPTTIVCPG-LBPRGKRZSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1ccc(C(=O)NCCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000019268690 170765900 /nfs/dbraw/zinc/76/59/00/170765900.db2.gz GKYLFQSJKCEAMN-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM O=C([O-])c1cccc(COc2cccnc2[N+](=O)[O-])c1 ZINC000020362146 171161115 /nfs/dbraw/zinc/16/11/15/171161115.db2.gz PIHUUVXREAZZHL-UHFFFAOYSA-N -1 0 274.232 2.267 20 5 CEBDRM O=C([O-])CCCCCNc1ccncc1[N+](=O)[O-] ZINC000020370058 171167833 /nfs/dbraw/zinc/16/78/33/171167833.db2.gz JELWEBSYYCKMHF-UHFFFAOYSA-N -1 0 253.258 2.047 20 5 CEBDRM CN(Cc1cccnc1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000035134966 172001766 /nfs/dbraw/zinc/00/17/66/172001766.db2.gz JEJQIQPDRSPQQU-UHFFFAOYSA-N -1 0 287.275 2.324 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000035407133 172178282 /nfs/dbraw/zinc/17/82/82/172178282.db2.gz ZYFNAAFJZIOZMH-RXMQYKEDSA-N -1 0 278.186 2.499 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000044747699 175242929 /nfs/dbraw/zinc/24/29/29/175242929.db2.gz QIAVAGCZKSCNMK-SNVBAGLBSA-N -1 0 294.307 2.229 20 5 CEBDRM CC(C)OCCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000224655920 270309552 /nfs/dbraw/zinc/30/95/52/270309552.db2.gz WRFPVKFSVVQVQI-UHFFFAOYSA-N -1 0 297.311 2.305 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436960900 271696588 /nfs/dbraw/zinc/69/65/88/271696588.db2.gz RZSDVBACCZCPOJ-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM CC(C)C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000094701870 279162179 /nfs/dbraw/zinc/16/21/79/279162179.db2.gz GNOCWENVUOCXHX-SNVBAGLBSA-N -1 0 294.307 2.072 20 5 CEBDRM CC1(C)C(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1(C)C ZINC000225149044 280888230 /nfs/dbraw/zinc/88/82/30/280888230.db2.gz LFMOVJRZZCPJAJ-UHFFFAOYSA-N -1 0 278.308 2.465 20 5 CEBDRM CC1(C)CC[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000280165493 281103465 /nfs/dbraw/zinc/10/34/65/281103465.db2.gz IIVYHTVHMGIRFD-NSHDSACASA-N -1 0 280.280 2.197 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000444469104 281607332 /nfs/dbraw/zinc/60/73/32/281607332.db2.gz SNYVGZGEEIRZKK-SCZZXKLOSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000458283687 289909325 /nfs/dbraw/zinc/90/93/25/289909325.db2.gz QZIUMTUEBRPUMS-DVVUODLYSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000230688089 299905737 /nfs/dbraw/zinc/90/57/37/299905737.db2.gz AZTCLKOENRIMGB-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM CN(c1ncc(C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000162339023 297451507 /nfs/dbraw/zinc/45/15/07/297451507.db2.gz VQMGJGYXQPWVHT-UHFFFAOYSA-N -1 0 279.296 2.457 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000408409735 304526109 /nfs/dbraw/zinc/52/61/09/304526109.db2.gz CELHIOVLBHCUDJ-KOLCDFICSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC2(CCC2)C1 ZINC000163211052 304529169 /nfs/dbraw/zinc/52/91/69/304529169.db2.gz IXBPKZKKZKKHCP-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H](C2CC2)C1 ZINC000374303385 304553397 /nfs/dbraw/zinc/55/33/97/304553397.db2.gz UGIRXFIQBQZHLA-SNVBAGLBSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1cc(N[C@H](C)[C@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567355617 299056417 /nfs/dbraw/zinc/05/64/17/299056417.db2.gz ILMWCMBYKCUDJU-ZJUUUORDSA-N -1 0 294.307 2.438 20 5 CEBDRM Cc1ccc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000037115764 301624738 /nfs/dbraw/zinc/62/47/38/301624738.db2.gz WPRYBNGVEGDFLL-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM Cc1ccc(N2CC[C@@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000062933457 301629556 /nfs/dbraw/zinc/62/95/56/301629556.db2.gz ALJAGXHQBZRHNU-CYBMUJFWSA-N -1 0 264.281 2.204 20 5 CEBDRM Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000073410306 302362935 /nfs/dbraw/zinc/36/29/35/302362935.db2.gz GWQIHGMOPFSMIQ-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000184673976 302363364 /nfs/dbraw/zinc/36/33/64/302363364.db2.gz DLXKACUEHSUDCX-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=C(N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000178400626 303939881 /nfs/dbraw/zinc/93/98/81/303939881.db2.gz UGUKIOWJDQAHQJ-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C[C@H](C)O ZINC000519826234 313119993 /nfs/dbraw/zinc/11/99/93/313119993.db2.gz RJECYVUBYYTVIH-ZJUUUORDSA-N -1 0 296.323 2.041 20 5 CEBDRM CN(CC1CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570281983 314032427 /nfs/dbraw/zinc/03/24/27/314032427.db2.gz QFTDWZUQZVMHLZ-UHFFFAOYSA-N -1 0 284.699 2.436 20 5 CEBDRM Cc1cc(NCC2=CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578872218 314525932 /nfs/dbraw/zinc/52/59/32/314525932.db2.gz SRBDFIGHMHVEHG-UHFFFAOYSA-N -1 0 292.291 2.360 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C(C)C)C2)n1 ZINC000579359589 314577366 /nfs/dbraw/zinc/57/73/66/314577366.db2.gz QOGIVKNSLSNLAZ-SNVBAGLBSA-N -1 0 293.323 2.479 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC2(CC2)C1 ZINC000582966121 322515580 /nfs/dbraw/zinc/51/55/80/322515580.db2.gz DQEZRBKOBDYQTQ-UHFFFAOYSA-N -1 0 282.683 2.190 20 5 CEBDRM COC1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000583443476 322546930 /nfs/dbraw/zinc/54/69/30/322546930.db2.gz PLAUAPGAKWODKV-UHFFFAOYSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC(=O)[O-])CC(C)C ZINC000062742376 525559599 /nfs/dbraw/zinc/55/95/99/525559599.db2.gz BSIOCUBIDIEPSH-UHFFFAOYSA-N -1 0 294.307 2.086 20 5 CEBDRM CC(C)=CCN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357886779 527431043 /nfs/dbraw/zinc/43/10/43/527431043.db2.gz WHMCFKKAFQKOMU-UHFFFAOYSA-N -1 0 274.280 2.445 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H](C(=O)[O-])C(C)C ZINC000738483061 574462763 /nfs/dbraw/zinc/46/27/63/574462763.db2.gz VTGKGMDVSNNAMG-LLVKDONJSA-N -1 0 281.264 2.169 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000738573863 574480281 /nfs/dbraw/zinc/48/02/81/574480281.db2.gz CSGBCBCBWZOINU-UHFFFAOYSA-N -1 0 285.227 2.146 20 5 CEBDRM CC(C)C[C@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])cn1 ZINC000738806187 574762804 /nfs/dbraw/zinc/76/28/04/574762804.db2.gz DDKKTPZQJURWPP-SECBINFHSA-N -1 0 282.300 2.084 20 5 CEBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000736425353 574787587 /nfs/dbraw/zinc/78/75/87/574787587.db2.gz LLIVZVCKOFYVQA-NSHDSACASA-N -1 0 295.295 2.216 20 5 CEBDRM C[C@H](OC(=O)CCCNC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000736690320 574794521 /nfs/dbraw/zinc/79/45/21/574794521.db2.gz SCWFESPGYFGDRG-VIFPVBQESA-N -1 0 296.279 2.247 20 5 CEBDRM CC(C)N(CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000738844688 574801522 /nfs/dbraw/zinc/80/15/22/574801522.db2.gz WMBGMWPBABTQNT-UHFFFAOYSA-N -1 0 295.295 2.312 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](NC(=O)[O-])C1 ZINC000738310709 574857670 /nfs/dbraw/zinc/85/76/70/574857670.db2.gz NRAFMJLIWABFLX-JTQLQIEISA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1cc(N[C@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000738452853 574864480 /nfs/dbraw/zinc/86/44/80/574864480.db2.gz TZCCNDQTDGWQNC-NSHDSACASA-N -1 0 279.296 2.458 20 5 CEBDRM Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000738614451 574871000 /nfs/dbraw/zinc/87/10/00/574871000.db2.gz IGOWBIKVNQTUTJ-NSHDSACASA-N -1 0 295.295 2.134 20 5 CEBDRM CN(C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662601 574929806 /nfs/dbraw/zinc/92/98/06/574929806.db2.gz BAXOUWOFISCUPS-SECBINFHSA-N -1 0 297.286 2.170 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC(NC(=O)[O-])CC1 ZINC000740173471 574946699 /nfs/dbraw/zinc/94/66/99/574946699.db2.gz CEPZALHQHJYMFP-UHFFFAOYSA-N -1 0 279.296 2.140 20 5 CEBDRM CN(C)c1cccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000744182215 575116140 /nfs/dbraw/zinc/11/61/40/575116140.db2.gz QODMUJMAVGZGNE-UHFFFAOYSA-N -1 0 289.291 2.346 20 5 CEBDRM CO[C@]1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1(C)C ZINC000747330242 575169480 /nfs/dbraw/zinc/16/94/80/575169480.db2.gz MSWBUKQMYXDOGN-TVQRCGJNSA-N -1 0 282.296 2.283 20 5 CEBDRM O=C([O-])c1coc(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000051329336 599802491 /nfs/dbraw/zinc/80/24/91/599802491.db2.gz TVBVQZVLQLYQPT-UHFFFAOYSA-N -1 0 263.205 2.465 20 5 CEBDRM O=C([O-])CCCCCCNc1ccc([N+](=O)[O-])nc1 ZINC000019868533 600396355 /nfs/dbraw/zinc/39/63/55/600396355.db2.gz SSVCXSRNSSHCHM-UHFFFAOYSA-N -1 0 267.285 2.437 20 5 CEBDRM CCC(CC)(NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000094239834 600976164 /nfs/dbraw/zinc/97/61/64/600976164.db2.gz VBSOBKCSICPKEC-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000828634656 601134430 /nfs/dbraw/zinc/13/44/30/601134430.db2.gz WGNFIAPRBVCBLG-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM C/C(=C\COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000825775729 601407195 /nfs/dbraw/zinc/40/71/95/601407195.db2.gz ZKCBKTFAGFZQAY-QPJJXVBHSA-N -1 0 299.666 2.436 20 5 CEBDRM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827942080 601438320 /nfs/dbraw/zinc/43/83/20/601438320.db2.gz OTOUYLCRFIJEID-TVQRCGJNSA-N -1 0 282.271 2.154 20 5 CEBDRM O=C([O-])CCCSc1nc2sccn2c1[N+](=O)[O-] ZINC000310805643 601564756 /nfs/dbraw/zinc/56/47/56/601564756.db2.gz YJMQZQVLILGPEF-UHFFFAOYSA-N -1 0 287.322 2.261 20 5 CEBDRM C[C@@H](CCCO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827412643 601565006 /nfs/dbraw/zinc/56/50/06/601565006.db2.gz NEARNOHPMGCASA-BXKUYDPTSA-N -1 0 294.307 2.266 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCC(=O)[O-] ZINC000832957387 601632862 /nfs/dbraw/zinc/63/28/62/601632862.db2.gz CELHAHLGACRWIP-UHFFFAOYSA-N -1 0 266.253 2.015 20 5 CEBDRM CC[C@@H](O)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000829004263 602012029 /nfs/dbraw/zinc/01/20/29/602012029.db2.gz DEMLZQQZHHIWKF-DUMNWFOQSA-N -1 0 294.307 2.266 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000827324751 602186786 /nfs/dbraw/zinc/18/67/86/602186786.db2.gz KQWGIMGVZMJSQG-BDAKNGLRSA-N -1 0 281.264 2.310 20 5 CEBDRM C[C@H](CC(=O)[O-])C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000827324270 602186814 /nfs/dbraw/zinc/18/68/14/602186814.db2.gz BXXMIVJKWJTXGG-RKDXNWHRSA-N -1 0 281.264 2.310 20 5 CEBDRM O=C([O-])NC[C@H]1CCCC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000832521198 603198658 /nfs/dbraw/zinc/19/86/58/603198658.db2.gz LNRDGLCIUVKRMG-NXEZZACHSA-N -1 0 294.311 2.228 20 5 CEBDRM CN(C[C@H]1CCCN1c1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000828236809 603202943 /nfs/dbraw/zinc/20/29/43/603202943.db2.gz VAFKFQPIQPYMKG-SECBINFHSA-N -1 0 297.286 2.313 20 5 CEBDRM CCC(CC)(CNc1ccc([N+](=O)[O-])cn1)NC(=O)[O-] ZINC000826566528 603523880 /nfs/dbraw/zinc/52/38/80/603523880.db2.gz NFBGJEOCMPVVSQ-UHFFFAOYSA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000830427859 603555539 /nfs/dbraw/zinc/55/55/39/603555539.db2.gz OXENWDFNARVSLQ-QWRGUYRKSA-N -1 0 293.323 2.386 20 5 CEBDRM CN(CC(C)(C)CNC(=O)[O-])c1ccc([N+](=O)[O-])s1 ZINC000828154850 603581413 /nfs/dbraw/zinc/58/14/13/603581413.db2.gz QKPDFHBZUZDORU-UHFFFAOYSA-N -1 0 287.341 2.386 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCCN2C(=O)[O-])ncc1[N+](=O)[O-] ZINC000830123062 603890149 /nfs/dbraw/zinc/89/01/49/603890149.db2.gz RCEWLPCSPBJAQX-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000830432759 604254078 /nfs/dbraw/zinc/25/40/78/604254078.db2.gz KQYMJRSGIQHHLV-VIFPVBQESA-N -1 0 296.279 2.055 20 5 CEBDRM C/C(=C/COc1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825787147 604805757 /nfs/dbraw/zinc/80/57/57/604805757.db2.gz WQQSIGZPKFHCJW-UQCOIBPSSA-N -1 0 255.201 2.144 20 5 CEBDRM C/C(=C/COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000833381851 605030978 /nfs/dbraw/zinc/03/09/78/605030978.db2.gz DZVXJVHKKPXCJB-DAXSKMNVSA-N -1 0 299.666 2.436 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000214052664 605377541 /nfs/dbraw/zinc/37/75/41/605377541.db2.gz YHFYBISKHSLKLB-SNVBAGLBSA-N -1 0 279.296 2.315 20 5 CEBDRM O=C([O-])N1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000834076843 605379712 /nfs/dbraw/zinc/37/97/12/605379712.db2.gz DEKFKXGLCBCMKA-VIFPVBQESA-N -1 0 265.269 2.007 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833907528 605499882 /nfs/dbraw/zinc/49/98/82/605499882.db2.gz LKOGODDSLRVPII-WDEREUQCSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])N[C@@H](CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000834151462 605993540 /nfs/dbraw/zinc/99/35/40/605993540.db2.gz WFVTWQTZGWVNAY-ZETCQYMHSA-N -1 0 271.298 2.114 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCn2cccc2C1 ZINC000932527109 622943787 /nfs/dbraw/zinc/94/37/87/622943787.db2.gz XCZMADBERBWVMN-UHFFFAOYSA-N -1 0 273.292 2.118 20 5 CEBDRM CSCC(C)(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000890873897 623032078 /nfs/dbraw/zinc/03/20/78/623032078.db2.gz CXOKGMFHUTUOMH-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])nc1 ZINC000050196259 624548467 /nfs/dbraw/zinc/54/84/67/624548467.db2.gz QIMQAWURYOGWPR-UHFFFAOYSA-N -1 0 253.258 2.045 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000158624136 624579757 /nfs/dbraw/zinc/57/97/57/624579757.db2.gz OQBHEDHVBSULKR-CYBMUJFWSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000219098754 624940187 /nfs/dbraw/zinc/94/01/87/624940187.db2.gz QYNRMCXUNUCMEO-UWVGGRQHSA-N -1 0 293.323 2.208 20 5 CEBDRM COc1cc(N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1C ZINC000312743313 628493776 /nfs/dbraw/zinc/49/37/76/628493776.db2.gz YDKLERDTVJVDHR-SECBINFHSA-N -1 0 282.296 2.069 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000233883385 628957820 /nfs/dbraw/zinc/95/78/20/628957820.db2.gz WVBBXTFVLJMCCL-SECBINFHSA-N -1 0 274.223 2.172 20 5 CEBDRM CC[C@@H](C)CO[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000794863477 629341622 /nfs/dbraw/zinc/34/16/22/629341622.db2.gz ILSYAVWMCRNAAX-LLVKDONJSA-N -1 0 295.339 2.125 20 5 CEBDRM CS[C@H](C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000797208908 630174691 /nfs/dbraw/zinc/17/46/91/630174691.db2.gz KRGXSZGSTHNRCX-NKWVEPMBSA-N -1 0 258.299 2.220 20 5 CEBDRM C[C@@H](C(=O)[N-]OC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000812792435 632581555 /nfs/dbraw/zinc/58/15/55/632581555.db2.gz ZYQAIZGHQBDEEW-MRVPVSSYSA-N -1 0 282.271 2.438 20 5 CEBDRM Cc1cc(OCC(=O)[N-]OCCC2CC2)ccc1[N+](=O)[O-] ZINC000817392832 633647098 /nfs/dbraw/zinc/64/70/98/633647098.db2.gz CATPNSCWGFRFTM-UHFFFAOYSA-N -1 0 294.307 2.130 20 5 CEBDRM O=C([O-])[C@@]1(F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000901513774 634170760 /nfs/dbraw/zinc/17/07/60/634170760.db2.gz DPEKGLCMPMXDHO-PKXJPQMGSA-N -1 0 294.282 2.107 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@](F)(C(=O)[O-])C1 ZINC000901518880 634174160 /nfs/dbraw/zinc/17/41/60/634174160.db2.gz NLKNSYLXIUBJTP-AWEZNQCLSA-N -1 0 296.298 2.210 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000834650693 637904704 /nfs/dbraw/zinc/90/47/04/637904704.db2.gz QTWBTZJCIVDTDM-BDAKNGLRSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])[C@@]1(F)CN(c2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000910475667 638068743 /nfs/dbraw/zinc/06/87/43/638068743.db2.gz UCYDOZOINZCBDM-AWEZNQCLSA-N -1 0 294.282 2.378 20 5 CEBDRM CC[C@@H](C)[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)OC ZINC000835636830 638338124 /nfs/dbraw/zinc/33/81/24/638338124.db2.gz ZTDBOVOPVAEFAX-SCZZXKLOSA-N -1 0 270.285 2.141 20 5 CEBDRM C[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)CC(F)F ZINC000842439781 640059059 /nfs/dbraw/zinc/05/90/59/640059059.db2.gz SIOKDNHXAWIENA-LURJTMIESA-N -1 0 262.212 2.371 20 5 CEBDRM CCON(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000844076891 640595180 /nfs/dbraw/zinc/59/51/80/640595180.db2.gz CWIQURBYYOJQSE-UHFFFAOYSA-N -1 0 268.269 2.103 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000844217259 640634571 /nfs/dbraw/zinc/63/45/71/640634571.db2.gz FPJCKKBSNYOCPV-ZJUUUORDSA-N -1 0 292.291 2.463 20 5 CEBDRM CC(=O)c1ccc(N2CC[C@H](C(=O)[O-])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000844217573 640634614 /nfs/dbraw/zinc/63/46/14/640634614.db2.gz GPRHJYOGQCCWTF-KWQFWETISA-N -1 0 292.291 2.097 20 5 CEBDRM COCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916855625 640825142 /nfs/dbraw/zinc/82/51/42/640825142.db2.gz BQLKPTXBKXOYAO-UHFFFAOYSA-N -1 0 290.275 2.331 20 5 CEBDRM O=C(OCc1ccccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000918488038 640960900 /nfs/dbraw/zinc/96/09/00/640960900.db2.gz APYFLGYZWRRULO-UHFFFAOYSA-N -1 0 264.212 2.419 20 5 CEBDRM COc1ccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000918490109 640961009 /nfs/dbraw/zinc/96/10/09/640961009.db2.gz MWCJGIJKYLQCQD-UHFFFAOYSA-N -1 0 276.248 2.289 20 5 CEBDRM CC(C)Oc1[n-]c(=NOC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000848688303 642101090 /nfs/dbraw/zinc/10/10/90/642101090.db2.gz KRVFRZDYKJMDAV-JTQLQIEISA-N -1 0 297.311 2.157 20 5 CEBDRM CCC(C)(C)[C@H](O)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000859767122 645597817 /nfs/dbraw/zinc/59/78/17/645597817.db2.gz SCUGQNHCGXYRBN-GFCCVEGCSA-N -1 0 297.307 2.141 20 5 CEBDRM CS/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770858552 646447039 /nfs/dbraw/zinc/44/70/39/646447039.db2.gz UZOYBRWDFSCGLH-SNAWJCMRSA-N -1 0 254.267 2.116 20 5 CEBDRM CC(=O)c1ccc(N[C@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000863478153 646738020 /nfs/dbraw/zinc/73/80/20/646738020.db2.gz CRLKDDDPMXWSLX-NSHDSACASA-N -1 0 290.275 2.383 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC000863480668 646738710 /nfs/dbraw/zinc/73/87/10/646738710.db2.gz SHZYZQPPDYSHCQ-JTQLQIEISA-N -1 0 277.280 2.192 20 5 CEBDRM CO[C@@H]1CC[C@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000864513891 647033065 /nfs/dbraw/zinc/03/30/65/647033065.db2.gz INIWVXBOTMMMIZ-GXSJLCMTSA-N -1 0 294.307 2.297 20 5 CEBDRM O=C([N-]CCc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000778462884 647233304 /nfs/dbraw/zinc/23/33/04/647233304.db2.gz KLFJQUKTAAIURG-UHFFFAOYSA-N -1 0 296.632 2.469 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@@H]1CC12CC2 ZINC000873628547 649714754 /nfs/dbraw/zinc/71/47/54/649714754.db2.gz NDVRIJRVTRLMDU-SFYZADRCSA-N -1 0 250.254 2.268 20 5 CEBDRM C[C@@H]1CC[C@H](Oc2nc(=O)[n-]cc2[N+](=O)[O-])C[C@@H]1C ZINC001226332532 805582153 /nfs/dbraw/zinc/58/21/53/805582153.db2.gz VRQWHYFFKILIKE-VGMNWLOBSA-N -1 0 267.285 2.294 20 5 CEBDRM Cc1cc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000722673964 802462459 /nfs/dbraw/zinc/46/24/59/802462459.db2.gz WSNFMUYVOVTYGH-GHMZBOCLSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(N(C)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000693003257 802518974 /nfs/dbraw/zinc/51/89/74/802518974.db2.gz JACXECQAUNDQAG-JGZJWPJOSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000703479552 809651472 /nfs/dbraw/zinc/65/14/72/809651472.db2.gz ZRJGVEWWUHXJLW-KNVOCYPGSA-N -1 0 254.217 2.009 20 5 CEBDRM Cc1ccc(N[C@H](C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000133436954 813084927 /nfs/dbraw/zinc/08/49/27/813084927.db2.gz ZDMLYRDNLRQTEV-RKDXNWHRSA-N -1 0 252.270 2.424 20 5 CEBDRM Cc1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)nc1C ZINC001174502015 816028736 /nfs/dbraw/zinc/02/87/36/816028736.db2.gz CGQIIHCTXWKHEP-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM O=C([O-])c1ccc(Nc2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC001174502348 816028872 /nfs/dbraw/zinc/02/88/72/816028872.db2.gz KVRVFWVICUZUNB-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM COc1cncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174503420 816030239 /nfs/dbraw/zinc/03/02/39/816030239.db2.gz OFBUETSXOWQCEU-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM CCc1nccnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503362 816030485 /nfs/dbraw/zinc/03/04/85/816030485.db2.gz LWMALAJFZHRLNK-UHFFFAOYSA-N -1 0 288.263 2.389 20 5 CEBDRM Cc1coc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176672626 816452674 /nfs/dbraw/zinc/45/26/74/816452674.db2.gz PDTORKXALZKEEW-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM CCC[C@@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236884341 370645286 /nfs/dbraw/zinc/64/52/86/370645286.db2.gz VPNYXHYIPPXOTJ-LLVKDONJSA-N -1 0 294.307 2.140 20 5 CEBDRM CCn1cc([N-]c2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000035781363 361823493 /nfs/dbraw/zinc/82/34/93/361823493.db2.gz CRMBBGNNWTURFR-UHFFFAOYSA-N -1 0 278.297 2.264 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c2c(c1=O)CSCC2 ZINC000601936867 346933150 /nfs/dbraw/zinc/93/31/50/346933150.db2.gz WMBQKXLHGQTCKK-SNVBAGLBSA-N -1 0 291.332 2.359 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000044619084 343475607 /nfs/dbraw/zinc/47/56/07/343475607.db2.gz QXPWIXAZICHFCH-LLVKDONJSA-N -1 0 289.291 2.442 20 5 CEBDRM C[C@@]1(CO)CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567978007 299103589 /nfs/dbraw/zinc/10/35/89/299103589.db2.gz TURAGJZOOQSYSK-JSGCOSHPSA-N -1 0 294.307 2.256 20 5 CEBDRM CSCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093509379 344225963 /nfs/dbraw/zinc/22/59/63/344225963.db2.gz FMEZPCIFWZHQHT-UHFFFAOYSA-N -1 0 256.327 2.095 20 5 CEBDRM CCCN1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546172 344194333 /nfs/dbraw/zinc/19/43/33/344194333.db2.gz PHLZZUPQLVQKJK-GFCCVEGCSA-N -1 0 293.323 2.113 20 5 CEBDRM CC(C)n1nccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546950 344194773 /nfs/dbraw/zinc/19/47/73/344194773.db2.gz JLKIZYXWFXNQST-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM O=C([O-])C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000126916765 344327221 /nfs/dbraw/zinc/32/72/21/344327221.db2.gz VLHSLFGNOIZGSD-UHFFFAOYSA-N -1 0 298.320 2.031 20 5 CEBDRM COc1cccc(NCC2(C(=O)[O-])CCC2)c1[N+](=O)[O-] ZINC000134890295 344378828 /nfs/dbraw/zinc/37/88/28/344378828.db2.gz ZLBMBQRDLWRUKN-UHFFFAOYSA-N -1 0 280.280 2.270 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NCC1(C(=O)[O-])CCOCC1 ZINC000157224476 344446131 /nfs/dbraw/zinc/44/61/31/344446131.db2.gz GAEMBLCPHOUQIE-UHFFFAOYSA-N -1 0 294.307 2.197 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCCC2)n1 ZINC000166635620 344476282 /nfs/dbraw/zinc/47/62/82/344476282.db2.gz PZOQRMVTMUBJJX-UHFFFAOYSA-N -1 0 251.242 2.043 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000229720856 344569244 /nfs/dbraw/zinc/56/92/44/344569244.db2.gz ZISVGUPEXXGYRR-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000235326348 344590423 /nfs/dbraw/zinc/59/04/23/344590423.db2.gz MYKMDUIBEJPGNL-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM CCC(CC)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272558252 344667952 /nfs/dbraw/zinc/66/79/52/344667952.db2.gz QGPBSSFOEAIGRH-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000313328673 344742413 /nfs/dbraw/zinc/74/24/13/344742413.db2.gz KYQHSKOIUXLVRY-ZETCQYMHSA-N -1 0 286.234 2.218 20 5 CEBDRM COC[C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000351449328 344802203 /nfs/dbraw/zinc/80/22/03/344802203.db2.gz BJMBARLVIQLMMH-MRVPVSSYSA-N -1 0 293.279 2.175 20 5 CEBDRM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000403605718 344875754 /nfs/dbraw/zinc/87/57/54/344875754.db2.gz HOYBMBOPTSJFIH-OUAUKWLOSA-N -1 0 290.319 2.466 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(CCO)CCCC1 ZINC000586780971 345021337 /nfs/dbraw/zinc/02/13/37/345021337.db2.gz GVKZMWMKANWJJM-UHFFFAOYSA-N -1 0 280.324 2.085 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586799095 345023657 /nfs/dbraw/zinc/02/36/57/345023657.db2.gz HMSAVOQNXOIYAF-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000054334514 362528978 /nfs/dbraw/zinc/52/89/78/362528978.db2.gz UWEXDANICRUFOP-ZCFIWIBFSA-N -1 0 258.661 2.381 20 5 CEBDRM O=C(N[C@H]1CCCC1(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000589921266 345105277 /nfs/dbraw/zinc/10/52/77/345105277.db2.gz NLNFVFIZVRRYSW-JTQLQIEISA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(NCC2(CO)CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971239 345417078 /nfs/dbraw/zinc/41/70/78/345417078.db2.gz JNBRNMTVDCLOMW-UHFFFAOYSA-N -1 0 294.307 2.176 20 5 CEBDRM C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000592980443 345418549 /nfs/dbraw/zinc/41/85/49/345418549.db2.gz GNBZXNPQWLFRRY-YUMQZZPRSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])CC(F)F ZINC000592826231 345400238 /nfs/dbraw/zinc/40/02/38/345400238.db2.gz PPSURPDNVDNEBF-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000593327106 345467086 /nfs/dbraw/zinc/46/70/86/345467086.db2.gz KUGJVUQXOSCTDZ-LLVKDONJSA-N -1 0 280.280 2.097 20 5 CEBDRM O=C([O-])[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593755187 345533360 /nfs/dbraw/zinc/53/33/60/345533360.db2.gz HOYZEMRSULVCHP-QWHCGFSZSA-N -1 0 290.319 2.137 20 5 CEBDRM C[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000594544962 345645246 /nfs/dbraw/zinc/64/52/46/345645246.db2.gz BIUAJKFXBRFBFW-ZCFIWIBFSA-N -1 0 258.661 2.381 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000163503387 232260632 /nfs/dbraw/zinc/26/06/32/232260632.db2.gz AAGTWONJCIXIPV-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000595974890 345919534 /nfs/dbraw/zinc/91/95/34/345919534.db2.gz ZNLLGYQKEIYINX-WDEREUQCSA-N -1 0 293.323 2.296 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000595974888 345919593 /nfs/dbraw/zinc/91/95/93/345919593.db2.gz ZNLLGYQKEIYINX-QWRGUYRKSA-N -1 0 293.323 2.296 20 5 CEBDRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000597440749 346185817 /nfs/dbraw/zinc/18/58/17/346185817.db2.gz CXAKOHKJQNOQID-BXKDBHETSA-N -1 0 294.307 2.443 20 5 CEBDRM CC(C)(F)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598198107 346303892 /nfs/dbraw/zinc/30/38/92/346303892.db2.gz GPJAKEITYKQION-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM Cc1cccc(N2CC[C@@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000235928163 301998506 /nfs/dbraw/zinc/99/85/06/301998506.db2.gz NGQRQTVTOUXZID-CYBMUJFWSA-N -1 0 264.281 2.204 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000600678558 346671855 /nfs/dbraw/zinc/67/18/55/346671855.db2.gz KPWLQXUZMDYFJP-ZWNOBZJWSA-N -1 0 292.291 2.272 20 5 CEBDRM CCCCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876767 346702686 /nfs/dbraw/zinc/70/26/86/346702686.db2.gz OZTMMHXZJWRLME-AWEZNQCLSA-N -1 0 294.307 2.201 20 5 CEBDRM O=c1cc(-c2cccnc2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000603807646 347388318 /nfs/dbraw/zinc/38/83/18/347388318.db2.gz GZHCXUPVLCUAPM-UHFFFAOYSA-N -1 0 282.259 2.131 20 5 CEBDRM Cc1ccnc(SC[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000086111086 179233213 /nfs/dbraw/zinc/23/32/13/179233213.db2.gz GSCDESOXCVWVBP-SSDOTTSWSA-N -1 0 256.283 2.111 20 5 CEBDRM Cc1occc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612530899 347898815 /nfs/dbraw/zinc/89/88/15/347898815.db2.gz QCKGLKPYHBACSZ-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM Cc1occc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613905645 348122214 /nfs/dbraw/zinc/12/22/14/348122214.db2.gz ALOUMETULAESCX-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CC[C@H](C)CON=c1[n-]c(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000291960270 198117867 /nfs/dbraw/zinc/11/78/67/198117867.db2.gz VDWUKWTVPFWHJE-QMMMGPOBSA-N -1 0 297.311 2.474 20 5 CEBDRM CCCCN(CCOC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000151070551 187941711 /nfs/dbraw/zinc/94/17/11/187941711.db2.gz BSJMIKYVKYCGMQ-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM CCC(CC)(NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000137094961 366536038 /nfs/dbraw/zinc/53/60/38/366536038.db2.gz ZPCDYSIBBYVQKE-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000017057182 361504273 /nfs/dbraw/zinc/50/42/73/361504273.db2.gz YNINHUMEFAIXSQ-MRVPVSSYSA-N -1 0 252.270 2.075 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000019282207 361525295 /nfs/dbraw/zinc/52/52/95/361525295.db2.gz JKTMZQKPGFUFOU-QPUJVOFHSA-N -1 0 294.307 2.132 20 5 CEBDRM CC(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])cn2)cn1 ZINC000302114949 201347560 /nfs/dbraw/zinc/34/75/60/201347560.db2.gz RBIMRUYMSYQHFM-UHFFFAOYSA-N -1 0 262.273 2.080 20 5 CEBDRM Cc1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000085235453 363834436 /nfs/dbraw/zinc/83/44/36/363834436.db2.gz VKFIHVZTPXOCLQ-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM O=C(CC1CCC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546825 364080241 /nfs/dbraw/zinc/08/02/41/364080241.db2.gz BHHGLPVLMPPYMT-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM CCCCCOCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546192 364080401 /nfs/dbraw/zinc/08/04/01/364080401.db2.gz YPRAFLSTKKLPIN-UHFFFAOYSA-N -1 0 282.296 2.446 20 5 CEBDRM CC[C@H](SC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546674 364081042 /nfs/dbraw/zinc/08/10/42/364081042.db2.gz OWQRWFNQVWBDOW-JTQLQIEISA-N -1 0 270.310 2.381 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000094659055 364287697 /nfs/dbraw/zinc/28/76/97/364287697.db2.gz NPWOANIWACJXKE-SECBINFHSA-N -1 0 252.270 2.203 20 5 CEBDRM O=C([O-])c1cnc(NC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000162407106 367157962 /nfs/dbraw/zinc/15/79/62/367157962.db2.gz OTGDHBLKLYIYSK-SECBINFHSA-N -1 0 277.280 2.456 20 5 CEBDRM CC[C@H](SC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166090811 367317546 /nfs/dbraw/zinc/31/75/46/367317546.db2.gz BTDSIYUAEFRQDI-JTQLQIEISA-N -1 0 270.310 2.381 20 5 CEBDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000181915337 368505399 /nfs/dbraw/zinc/50/53/99/368505399.db2.gz FFWRHPPEAONBTE-UHFFFAOYSA-N -1 0 280.280 2.164 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000345997507 368512305 /nfs/dbraw/zinc/51/23/05/368512305.db2.gz VAJFECWTEGEGHO-LBPRGKRZSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cncs1 ZINC000346306497 368629011 /nfs/dbraw/zinc/62/90/11/368629011.db2.gz FDOGXFDKCNXINV-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM Cc1ccncc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183570512 368631901 /nfs/dbraw/zinc/63/19/01/368631901.db2.gz VZBRZSWQFOCJPW-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(CCc1cncs1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000346325940 368637328 /nfs/dbraw/zinc/63/73/28/368637328.db2.gz NGACWAUKJGZBGC-UHFFFAOYSA-N -1 0 293.304 2.328 20 5 CEBDRM COC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000572725619 299393638 /nfs/dbraw/zinc/39/36/38/299393638.db2.gz UZRVMGLHBVZGLS-UHFFFAOYSA-N -1 0 294.307 2.203 20 5 CEBDRM O=[N+]([O-])c1ccc(CN=c2[n-]nc(C3CC3)o2)c(F)c1 ZINC000349158382 369254531 /nfs/dbraw/zinc/25/45/31/369254531.db2.gz JTZGECITHIMYFN-UHFFFAOYSA-N -1 0 278.243 2.028 20 5 CEBDRM CSC1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCC1 ZINC000194617269 370058531 /nfs/dbraw/zinc/05/85/31/370058531.db2.gz WQLSZDHISKUXTJ-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)SCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000286753386 196695427 /nfs/dbraw/zinc/69/54/27/196695427.db2.gz OTRDVCDVDYFDNG-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C(NC1CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236560517 370592419 /nfs/dbraw/zinc/59/24/19/370592419.db2.gz AUTMNKSQBHORSW-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM Cc1cc(N[C@H](C)CC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000336787059 213621693 /nfs/dbraw/zinc/62/16/93/213621693.db2.gz DFXCEDFCHDWOTJ-SSDOTTSWSA-N -1 0 256.233 2.317 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274700354 374016381 /nfs/dbraw/zinc/01/63/81/374016381.db2.gz PYVMQDSZPYDTBO-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM CC(C)O[C@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000573806446 299458123 /nfs/dbraw/zinc/45/81/23/299458123.db2.gz GZEKKEKNDFMFGC-DTORHVGOSA-N -1 0 295.295 2.056 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OC ZINC000381371372 375173387 /nfs/dbraw/zinc/17/33/87/375173387.db2.gz JGRTWQZDXFKGTB-JOYOIKCWSA-N -1 0 296.323 2.091 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000408417069 375477449 /nfs/dbraw/zinc/47/74/49/375477449.db2.gz XEGFNTWSGNZCMK-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(C)SCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000286896388 376094646 /nfs/dbraw/zinc/09/46/46/376094646.db2.gz FCHFHBXTXUEXFA-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1cc(N(C)CC(=O)[O-])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416404934 376062071 /nfs/dbraw/zinc/06/20/71/376062071.db2.gz RPHGVJLJWBNBOZ-UHFFFAOYSA-N -1 0 292.213 2.443 20 5 CEBDRM CN(CCCC(=O)[O-])c1nc2ccccc2cc1[N+](=O)[O-] ZINC000416422531 376066299 /nfs/dbraw/zinc/06/62/99/376066299.db2.gz MMCXVIJRZIZGKT-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM COCCCONC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000287650351 376284396 /nfs/dbraw/zinc/28/43/96/376284396.db2.gz CGSICQKTRFHMHX-ZHACJKMWSA-N -1 0 294.307 2.082 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(c2cccnc2)CC1 ZINC000558717167 376639408 /nfs/dbraw/zinc/63/94/08/376639408.db2.gz JVIDFWGAUXVYGM-UHFFFAOYSA-N -1 0 299.286 2.366 20 5 CEBDRM CCC1(C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000291005908 377028664 /nfs/dbraw/zinc/02/86/64/377028664.db2.gz CIQJUBNGHCNUTH-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CO[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C ZINC000330458983 377144328 /nfs/dbraw/zinc/14/43/28/377144328.db2.gz SMFYAQQJFFBKKA-QMTHXVAHSA-N -1 0 280.324 2.157 20 5 CEBDRM CC[C@H](C)CONC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293775433 377751730 /nfs/dbraw/zinc/75/17/30/377751730.db2.gz RDYIPOAODYLYBH-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436873579 377834617 /nfs/dbraw/zinc/83/46/17/377834617.db2.gz QHWWCCVQQDNXHO-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CC(F)(F)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000294243287 377952571 /nfs/dbraw/zinc/95/25/71/377952571.db2.gz PIRAYWDHHVSOLL-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM O=[N+]([O-])c1ccc(CCN=c2[n-]c(C3CCC3)no2)cc1 ZINC000450268759 378334643 /nfs/dbraw/zinc/33/46/43/378334643.db2.gz IOSNYTRIZMBCMO-UHFFFAOYSA-N -1 0 288.307 2.322 20 5 CEBDRM CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC(=O)CC1 ZINC000450391956 378391211 /nfs/dbraw/zinc/39/12/11/378391211.db2.gz NXDXTUIFFQXGRY-UHFFFAOYSA-N -1 0 292.291 2.388 20 5 CEBDRM C[C@@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCCO1 ZINC000457721969 379896914 /nfs/dbraw/zinc/89/69/14/379896914.db2.gz WWAQVXBBGIDMRF-ZDUSSCGKSA-N -1 0 280.280 2.198 20 5 CEBDRM CSCCONC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492019717 380421457 /nfs/dbraw/zinc/42/14/57/380421457.db2.gz PFEOWNHCNCKXDT-AATRIKPKSA-N -1 0 282.321 2.019 20 5 CEBDRM CC(C)OCC(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000414003748 394676456 /nfs/dbraw/zinc/67/64/56/394676456.db2.gz YXBLKSAWMUTDCC-UHFFFAOYSA-N -1 0 296.323 2.234 20 5 CEBDRM O=C(NCc1cccs1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130319511 394885807 /nfs/dbraw/zinc/88/58/07/394885807.db2.gz KPMNLPVAKGSJLK-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436723392 395148010 /nfs/dbraw/zinc/14/80/10/395148010.db2.gz LIZPDDWLISEZJX-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM C[C@@H]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436914374 395162425 /nfs/dbraw/zinc/16/24/25/395162425.db2.gz LCCHFIUOOFBDKH-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H](OCC1CC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183906549 395267362 /nfs/dbraw/zinc/26/73/62/395267362.db2.gz XKRZSQRZMHZKEE-QMMMGPOBSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@@]1(F)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000566297709 395510969 /nfs/dbraw/zinc/51/09/69/395510969.db2.gz RUOKBDSBOHFUTR-GFCCVEGCSA-N -1 0 283.259 2.016 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000567865817 395537104 /nfs/dbraw/zinc/53/71/04/395537104.db2.gz GICHVGXAPGBUSY-GZMMTYOYSA-N -1 0 293.323 2.154 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191664702 296693830 /nfs/dbraw/zinc/69/38/30/296693830.db2.gz OPOJXOXVAXAPMQ-DTORHVGOSA-N -1 0 292.291 2.306 20 5 CEBDRM C/C=C/C[C@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000263235230 154041648 /nfs/dbraw/zinc/04/16/48/154041648.db2.gz CSBCLXWAGJNATJ-PCAWENJQSA-N -1 0 292.291 2.052 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000263299832 154051472 /nfs/dbraw/zinc/05/14/72/154051472.db2.gz UGZBJCRLZCWDKY-PGLGOXFNSA-N -1 0 292.291 2.052 20 5 CEBDRM Cc1cc(N(C)CCC(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000263390852 154073522 /nfs/dbraw/zinc/07/35/22/154073522.db2.gz GGFSLRDNMMEPKI-UHFFFAOYSA-N -1 0 289.291 2.362 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC2(CC2)CC1 ZINC000375738442 157133579 /nfs/dbraw/zinc/13/35/79/157133579.db2.gz OCPYEKIAVLRLFF-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C([O-])C1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000013168176 170538407 /nfs/dbraw/zinc/53/84/07/170538407.db2.gz YZTBBDXXEBKYOH-UHFFFAOYSA-N -1 0 292.291 2.112 20 5 CEBDRM Cc1ccc(N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000037400995 173178090 /nfs/dbraw/zinc/17/80/90/173178090.db2.gz CPKCAEBJCQUEIJ-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc(C)cc1[N+](=O)[O-] ZINC000038021311 174000171 /nfs/dbraw/zinc/00/01/71/174000171.db2.gz IDFTVYRBQYJPPQ-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000043512012 175060468 /nfs/dbraw/zinc/06/04/68/175060468.db2.gz HRCGEAGBOVYIHB-VIFPVBQESA-N -1 0 295.295 2.088 20 5 CEBDRM O=C(NC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000070852767 176008650 /nfs/dbraw/zinc/00/86/50/176008650.db2.gz SIURVIFNIFLXPS-JTQLQIEISA-N -1 0 276.292 2.387 20 5 CEBDRM O=C(Nc1ccc2[nH]cnc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355947249 228061895 /nfs/dbraw/zinc/06/18/95/228061895.db2.gz WLKQTPJUPFBJMC-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CCSCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000306025893 260333118 /nfs/dbraw/zinc/33/31/18/260333118.db2.gz OUMBJSWOPQEIJY-UHFFFAOYSA-N -1 0 285.325 2.243 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000424897011 264370558 /nfs/dbraw/zinc/37/05/58/264370558.db2.gz PZTUQCBLCCWGPK-RYUDHWBXSA-N -1 0 290.319 2.466 20 5 CEBDRM Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000227572860 270311279 /nfs/dbraw/zinc/31/12/79/270311279.db2.gz RVLXMMXYHSKGBB-MWLCHTKSSA-N -1 0 264.281 2.203 20 5 CEBDRM Cc1ncc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000436508700 271671292 /nfs/dbraw/zinc/67/12/92/271671292.db2.gz DFRIDOSNTLHDDV-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968170 271696561 /nfs/dbraw/zinc/69/65/61/271696561.db2.gz STSNILJHIFKZDB-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235390581 280221467 /nfs/dbraw/zinc/22/14/67/280221467.db2.gz GEUZQFWNVBBZSK-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000153458745 289114111 /nfs/dbraw/zinc/11/41/11/289114111.db2.gz UMWDMEJVHUJUSR-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000458114918 289878360 /nfs/dbraw/zinc/87/83/60/289878360.db2.gz NQQJWDRSUPNVNN-GXSJLCMTSA-N -1 0 264.281 2.075 20 5 CEBDRM O=C(/C=C\c1ccncc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000492317076 290602898 /nfs/dbraw/zinc/60/28/98/290602898.db2.gz DBHFAJLAWJYIMS-RJRFIUFISA-N -1 0 285.259 2.347 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263241866 295254555 /nfs/dbraw/zinc/25/45/55/295254555.db2.gz RSSHQDDXOYTLGU-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000191303935 297178348 /nfs/dbraw/zinc/17/83/48/297178348.db2.gz XYVKZILJPHBUEP-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM CCN(CCOC)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000517378928 297621379 /nfs/dbraw/zinc/62/13/79/297621379.db2.gz YZONVAUCKRKDBK-UHFFFAOYSA-N -1 0 282.296 2.074 20 5 CEBDRM CC(C)(NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000541720256 298283618 /nfs/dbraw/zinc/28/36/18/298283618.db2.gz QFGHFKFFJQSDHR-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)n1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000559222442 298613314 /nfs/dbraw/zinc/61/33/14/298613314.db2.gz KMPOTZZIWVLHFG-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM COCC[C@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565308876 298894386 /nfs/dbraw/zinc/89/43/86/298894386.db2.gz YWIMKLPCTMVVNE-JTQLQIEISA-N -1 0 296.323 2.306 20 5 CEBDRM C[C@@]1(F)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000566622444 299009481 /nfs/dbraw/zinc/00/94/81/299009481.db2.gz USRWQLICNLKTEU-GFCCVEGCSA-N -1 0 283.259 2.016 20 5 CEBDRM COCC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000518540224 313115836 /nfs/dbraw/zinc/11/58/36/313115836.db2.gz CIBWSZDXCLZSQP-SECBINFHSA-N -1 0 282.296 2.438 20 5 CEBDRM CC1(C)CC(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000548384431 313560980 /nfs/dbraw/zinc/56/09/80/313560980.db2.gz IVBMENGWHOOMMG-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM CO[C@@H](C)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565035504 313791994 /nfs/dbraw/zinc/79/19/94/313791994.db2.gz ITMXAJYCJHHNQE-VIFPVBQESA-N -1 0 282.296 2.059 20 5 CEBDRM Cc1cc(NCC2=CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565429254 313820681 /nfs/dbraw/zinc/82/06/81/313820681.db2.gz VXGFHJGMYQRMSP-UHFFFAOYSA-N -1 0 292.291 2.360 20 5 CEBDRM CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000577377760 314369966 /nfs/dbraw/zinc/36/99/66/314369966.db2.gz ZHAWXVCVMPRZIE-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM COCC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000579479670 314591458 /nfs/dbraw/zinc/59/14/58/314591458.db2.gz YTGORUYNQXWSDI-UHFFFAOYSA-N -1 0 296.323 2.306 20 5 CEBDRM CC[C@H]1CC[C@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000380555732 321830736 /nfs/dbraw/zinc/83/07/36/321830736.db2.gz YKNJOXGKARHKGP-IUCAKERBSA-N -1 0 279.296 2.455 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCO1 ZINC000583874177 322573895 /nfs/dbraw/zinc/57/38/95/322573895.db2.gz LAIPFISVTGFWEI-UHFFFAOYSA-N -1 0 286.671 2.121 20 5 CEBDRM C[C@H]1[C@@H](C)N(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000399554613 326807535 /nfs/dbraw/zinc/80/75/35/326807535.db2.gz BZTQNASDGCILTD-IWSPIJDZSA-N -1 0 279.296 2.169 20 5 CEBDRM CC(=O)c1cc(N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000416423189 527211437 /nfs/dbraw/zinc/21/14/37/527211437.db2.gz SOFUHZSJWHWOMA-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM CCOc1cc(N[C@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044640 528331325 /nfs/dbraw/zinc/33/13/25/528331325.db2.gz ARWGHPUVTRKNTA-MRVPVSSYSA-N -1 0 268.269 2.269 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000172410172 528949401 /nfs/dbraw/zinc/94/94/01/528949401.db2.gz LOPPOJWKVFQTBU-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM O=Cc1ccc(-c2cc(C(=O)[O-])c([N+](=O)[O-])cn2)s1 ZINC000874973079 649878226 /nfs/dbraw/zinc/87/82/26/649878226.db2.gz VGLJZFAODPGMKN-UHFFFAOYSA-N -1 0 278.245 2.229 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000740521480 574468527 /nfs/dbraw/zinc/46/85/27/574468527.db2.gz RNLPIHRCOVBFIB-VIFPVBQESA-N -1 0 283.259 2.288 20 5 CEBDRM CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000737059010 574805759 /nfs/dbraw/zinc/80/57/59/574805759.db2.gz YODABWQISKEZRE-UHFFFAOYSA-N -1 0 292.291 2.308 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000738663836 574873175 /nfs/dbraw/zinc/87/31/75/574873175.db2.gz AXSOLBIZANQKQU-LLVKDONJSA-N -1 0 295.295 2.134 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)CCCN(C)C(=O)[O-] ZINC000738665220 574873230 /nfs/dbraw/zinc/87/32/30/574873230.db2.gz YMPQJYMUTSXTTP-UHFFFAOYSA-N -1 0 296.279 2.199 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739035191 574890792 /nfs/dbraw/zinc/89/07/92/574890792.db2.gz GFCYULDQJYZMKC-NXEZZACHSA-N -1 0 294.311 2.180 20 5 CEBDRM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)cc([N+](=O)[O-])c1 ZINC000134422190 597035137 /nfs/dbraw/zinc/03/51/37/597035137.db2.gz TVAOBVPOOORLFL-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM CN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000820574247 598181700 /nfs/dbraw/zinc/18/17/00/598181700.db2.gz KBLMTGQCYXHWFC-UHFFFAOYSA-N -1 0 287.275 2.178 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCC1CC1 ZINC000833307443 600823779 /nfs/dbraw/zinc/82/37/79/600823779.db2.gz MZZYESWYZLKSOW-UHFFFAOYSA-N -1 0 295.251 2.413 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000227504012 601562591 /nfs/dbraw/zinc/56/25/91/601562591.db2.gz VUAYRXNSDOOWEL-UWVGGRQHSA-N -1 0 264.281 2.060 20 5 CEBDRM CC[C@@H](O)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829004266 602011906 /nfs/dbraw/zinc/01/19/06/602011906.db2.gz DEMLZQQZHHIWKF-VLWUPBBWSA-N -1 0 294.307 2.266 20 5 CEBDRM CCc1ccc(OC(=O)[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830253515 602193361 /nfs/dbraw/zinc/19/33/61/602193361.db2.gz CUNWWQFCPCQMGC-MRVPVSSYSA-N -1 0 281.264 2.173 20 5 CEBDRM Cc1cc(N2CCN(C(=O)[O-])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000830085284 603193249 /nfs/dbraw/zinc/19/32/49/603193249.db2.gz QGNVZPKJEFMNOY-JTQLQIEISA-N -1 0 279.296 2.092 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCC[C@H](C)NC(=O)[O-] ZINC000829040029 603442498 /nfs/dbraw/zinc/44/24/98/603442498.db2.gz HOUFBBAKESLSHS-VIFPVBQESA-N -1 0 297.311 2.199 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)CNC(=O)[O-] ZINC000830432188 603792036 /nfs/dbraw/zinc/79/20/36/603792036.db2.gz BIPUPXSUTAFEKY-UHFFFAOYSA-N -1 0 295.295 2.136 20 5 CEBDRM Cc1nc(NC[C@@H]2CCCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830775769 604441429 /nfs/dbraw/zinc/44/14/29/604441429.db2.gz TUOBYJWVNYIANW-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000148363109 604470627 /nfs/dbraw/zinc/47/06/27/604470627.db2.gz BPQZHLHHRALDBW-MRVPVSSYSA-N -1 0 285.687 2.087 20 5 CEBDRM C[C@H](CN(C)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000042704442 605036476 /nfs/dbraw/zinc/03/64/76/605036476.db2.gz KQIYKCIOUYVZKQ-SSDOTTSWSA-N -1 0 272.688 2.405 20 5 CEBDRM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000058115052 605066279 /nfs/dbraw/zinc/06/62/79/605066279.db2.gz BWNHANMLUJGBDR-UHFFFAOYSA-N -1 0 294.307 2.102 20 5 CEBDRM CC1(O)CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833570408 605188853 /nfs/dbraw/zinc/18/88/53/605188853.db2.gz FCSWOQQFKNGVIT-UHFFFAOYSA-N -1 0 294.307 2.399 20 5 CEBDRM CC[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000827538423 605233248 /nfs/dbraw/zinc/23/32/48/605233248.db2.gz FOUVENJJSAVLHT-KWQFWETISA-N -1 0 296.279 2.245 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccccc1[N+](=O)[O-] ZINC000825844584 605484475 /nfs/dbraw/zinc/48/44/75/605484475.db2.gz KIJAXPWVIYFOHV-ZJUUUORDSA-N -1 0 279.296 2.220 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[O-])CC1 ZINC000833907705 605551167 /nfs/dbraw/zinc/55/11/67/605551167.db2.gz QXFOYZKMRQONMI-NSHDSACASA-N -1 0 293.323 2.260 20 5 CEBDRM O=C([O-])N1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000834111335 605695092 /nfs/dbraw/zinc/69/50/92/605695092.db2.gz CDPNUMVEHRLUKO-UHFFFAOYSA-N -1 0 271.660 2.353 20 5 CEBDRM O=C([O-])N1CCC(CNc2sccc2[N+](=O)[O-])CC1 ZINC000834082660 605991963 /nfs/dbraw/zinc/99/19/63/605991963.db2.gz RJHSEGWXMLMCED-UHFFFAOYSA-N -1 0 285.325 2.458 20 5 CEBDRM C[C@@H]1[C@H](C)N(Cc2csc([N+](=O)[O-])c2)CCN1C(=O)[O-] ZINC000833828501 606037950 /nfs/dbraw/zinc/03/79/50/606037950.db2.gz OMLFIBKVRXLOSX-DTWKUNHWSA-N -1 0 299.352 2.229 20 5 CEBDRM CS[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000235138030 624773838 /nfs/dbraw/zinc/77/38/38/624773838.db2.gz ZLWZMUWSUIEXPB-WCBMZHEXSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000311461132 627666564 /nfs/dbraw/zinc/66/65/64/627666564.db2.gz OGIOFURQCPIKAU-CABZTGNLSA-N -1 0 264.281 2.142 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1Cn1cc(C2CCC2)nn1 ZINC000900546045 633752838 /nfs/dbraw/zinc/75/28/38/633752838.db2.gz JNMYOTAPZAQCQZ-UHFFFAOYSA-N -1 0 274.280 2.208 20 5 CEBDRM C[C@H]1CCC[C@H](C)N1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000907988733 637202721 /nfs/dbraw/zinc/20/27/21/637202721.db2.gz JAVMLRZONBLBCS-UWVGGRQHSA-N -1 0 293.323 2.208 20 5 CEBDRM O=C([O-])[C@]12CN(c3ncccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000910475250 638068880 /nfs/dbraw/zinc/06/88/80/638068880.db2.gz QUOAHAAEPFMVKY-QMTHXVAHSA-N -1 0 291.307 2.071 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000837402928 639216474 /nfs/dbraw/zinc/21/64/74/639216474.db2.gz VYUVCANLVLSMDL-UHFFFAOYSA-N -1 0 251.238 2.144 20 5 CEBDRM CC[C@@H](SC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837589360 639297233 /nfs/dbraw/zinc/29/72/33/639297233.db2.gz RCORTPJBETZIRX-LLVKDONJSA-N -1 0 285.321 2.485 20 5 CEBDRM CC(C)[C@@H](F)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837655050 639327504 /nfs/dbraw/zinc/32/75/04/639327504.db2.gz CRHJROXQJWITFG-LLVKDONJSA-N -1 0 271.244 2.338 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC=CO1 ZINC000837691434 639345334 /nfs/dbraw/zinc/34/53/34/639345334.db2.gz UHSTVGXCSNVMPC-GFCCVEGCSA-N -1 0 279.248 2.036 20 5 CEBDRM C[C@@H]1C[C@H](C)[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837703578 639350301 /nfs/dbraw/zinc/35/03/01/639350301.db2.gz GWJJJJPUEGIJRF-IGJMFERPSA-N -1 0 295.291 2.157 20 5 CEBDRM COC[C@H](C)[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837739341 639369032 /nfs/dbraw/zinc/36/90/32/639369032.db2.gz UYERAJDRXGTWSJ-VHSXEESVSA-N -1 0 297.307 2.262 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H](C(=O)[O-])C1 ZINC000841488082 639775379 /nfs/dbraw/zinc/77/53/79/639775379.db2.gz HQXJPXPGDCQRAY-QMMMGPOBSA-N -1 0 284.699 2.468 20 5 CEBDRM Cc1ccc(N2CC[C@](C)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000062933458 639797697 /nfs/dbraw/zinc/79/76/97/639797697.db2.gz ALJAGXHQBZRHNU-ZDUSSCGKSA-N -1 0 264.281 2.204 20 5 CEBDRM CCC(CC)(CO)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000842109130 639957334 /nfs/dbraw/zinc/95/73/34/639957334.db2.gz XVJYINYQPSKXDB-UHFFFAOYSA-N -1 0 297.307 2.142 20 5 CEBDRM CSCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920959850 641214825 /nfs/dbraw/zinc/21/48/25/641214825.db2.gz JEXDOUBEUJCEMA-HWKANZROSA-N -1 0 282.321 2.468 20 5 CEBDRM C[C@]1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCCO1 ZINC000838436087 643941035 /nfs/dbraw/zinc/94/10/35/643941035.db2.gz WRQRZLGFIQILGW-CQSZACIVSA-N -1 0 295.291 2.303 20 5 CEBDRM C[C@@H](Cc1ccco1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755009984 644460688 /nfs/dbraw/zinc/46/06/88/644460688.db2.gz FCIDMKYGFXAXHR-VIFPVBQESA-N -1 0 290.275 2.254 20 5 CEBDRM O=C(NCCC1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755474234 644522571 /nfs/dbraw/zinc/52/25/71/644522571.db2.gz OWDRVJSFZIPTAF-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM O=C(OCCCOCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000764828457 645695687 /nfs/dbraw/zinc/69/56/87/645695687.db2.gz VNULNFFEKSYDEM-UHFFFAOYSA-N -1 0 296.201 2.049 20 5 CEBDRM CC(=O)c1cc(N[C@@H]2CC=C(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000863479117 646738690 /nfs/dbraw/zinc/73/86/90/646738690.db2.gz XNWWPJYCSHMNBY-SNVBAGLBSA-N -1 0 290.275 2.383 20 5 CEBDRM O=C(NOc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000773463579 646742032 /nfs/dbraw/zinc/74/20/32/646742032.db2.gz AYTDUNGGBBBMDE-UHFFFAOYSA-N -1 0 274.232 2.024 20 5 CEBDRM O=C(NOc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000773468497 646743804 /nfs/dbraw/zinc/74/38/04/646743804.db2.gz QUJFCBSKWFVDKP-UHFFFAOYSA-N -1 0 274.232 2.024 20 5 CEBDRM O=C1N[C@@H](c2ccc([N+](=O)[O-])c([O-])c2)Nc2ccccc21 ZINC000133714631 652706755 /nfs/dbraw/zinc/70/67/55/652706755.db2.gz GHSXGUPKOZYSTQ-ZDUSSCGKSA-N -1 0 285.259 2.155 20 5 CEBDRM Cc1ccc(N[C@H]2C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000693025244 802551206 /nfs/dbraw/zinc/55/12/06/802551206.db2.gz GYHKKEKIVOMOQV-KYZUINATSA-N -1 0 250.254 2.178 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](CF)C1 ZINC000711471937 810074494 /nfs/dbraw/zinc/07/44/94/810074494.db2.gz VHVFYHMOABZFSL-VIFPVBQESA-N -1 0 282.271 2.122 20 5 CEBDRM Cc1ccc(N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c([N+](=O)[O-])c1 ZINC000721241205 802758300 /nfs/dbraw/zinc/75/83/00/802758300.db2.gz DRXQCAKUNMYXBP-CWSCBRNRSA-N -1 0 276.292 2.060 20 5 CEBDRM C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000693433733 802908688 /nfs/dbraw/zinc/90/86/88/802908688.db2.gz XRWAYJPRNNDRAR-RKDXNWHRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC=C(Cl)C1 ZINC000404563042 803299124 /nfs/dbraw/zinc/29/91/24/803299124.db2.gz YVIWKRCHBFEQDN-UHFFFAOYSA-N -1 0 282.683 2.269 20 5 CEBDRM Cc1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000443455497 807653459 /nfs/dbraw/zinc/65/34/59/807653459.db2.gz QVHIJALKZCTYOY-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119444508 810773673 /nfs/dbraw/zinc/77/36/73/810773673.db2.gz QSKJIYOVKYHHNX-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=[N+]([O-])c1ccc([N-]c2noc3nccnc23)cc1 ZINC001174476063 816018688 /nfs/dbraw/zinc/01/86/88/816018688.db2.gz YVHMHDHCMYGPRJ-UHFFFAOYSA-N -1 0 257.209 2.270 20 5 CEBDRM Cc1c[nH]c(=O)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503287 816030699 /nfs/dbraw/zinc/03/06/99/816030699.db2.gz IYACIVNTZBNJNH-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM O=C(N[C@@]12C[C@@H]1CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000601776703 346895881 /nfs/dbraw/zinc/89/58/81/346895881.db2.gz RDCCFVSYMQIVQS-HZMBPMFUSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1-n1[n-]c([C@@H]2CCOC2)cc1=O ZINC000601935090 346931614 /nfs/dbraw/zinc/93/16/14/346931614.db2.gz HARBBPRVODPQJL-SNVBAGLBSA-N -1 0 289.291 2.032 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c(C2CC2)cc1=O ZINC000601938741 346933726 /nfs/dbraw/zinc/93/37/26/346933726.db2.gz IWMCMMFDNDTTHC-UHFFFAOYSA-N -1 0 259.265 2.406 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000601940138 346934509 /nfs/dbraw/zinc/93/45/09/346934509.db2.gz OTYXIOZHZZECEE-LBPRGKRZSA-N -1 0 289.291 2.031 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000044619568 343475463 /nfs/dbraw/zinc/47/54/63/343475463.db2.gz HLFKJRGNAGTBCS-JTQLQIEISA-N -1 0 252.270 2.203 20 5 CEBDRM CCOc1cccc(SCC(=O)[O-])c1[N+](=O)[O-] ZINC000128354340 365785522 /nfs/dbraw/zinc/78/55/22/365785522.db2.gz REWRKOIBKOQKBA-UHFFFAOYSA-N -1 0 257.267 2.170 20 5 CEBDRM O=C([O-])c1cccc(-c2cc(CO)cc([N+](=O)[O-])c2)c1 ZINC000567979188 299104010 /nfs/dbraw/zinc/10/40/10/299104010.db2.gz BYCLQJYXCLGLSR-UHFFFAOYSA-N -1 0 273.244 2.452 20 5 CEBDRM CCOC(=O)C(C)(C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093359378 344221997 /nfs/dbraw/zinc/22/19/97/344221997.db2.gz GWULWNCTOGSYFB-UHFFFAOYSA-N -1 0 296.323 2.074 20 5 CEBDRM Cc1sc(S(=O)(=O)NCCC2CC2)cc1[N+](=O)[O-] ZINC000124785655 344316756 /nfs/dbraw/zinc/31/67/56/344316756.db2.gz NPZUKYHUPRZHAY-UHFFFAOYSA-N -1 0 290.366 2.043 20 5 CEBDRM COc1cccc(NC[C@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000134889548 344378730 /nfs/dbraw/zinc/37/87/30/344378730.db2.gz OGDWGCPWCZEROY-MRVPVSSYSA-N -1 0 268.269 2.126 20 5 CEBDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000134985700 344379284 /nfs/dbraw/zinc/37/92/84/344379284.db2.gz JNQBATBMZQEYFP-SNVBAGLBSA-N -1 0 293.323 2.317 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000166680509 344476286 /nfs/dbraw/zinc/47/62/86/344476286.db2.gz OKBAYIXWJVSPPZ-UHFFFAOYSA-N -1 0 250.254 2.262 20 5 CEBDRM C[C@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000253155481 344643641 /nfs/dbraw/zinc/64/36/41/344643641.db2.gz NUNDPVOTNHEZGT-DTWKUNHWSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C([O-])CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310786246 344731711 /nfs/dbraw/zinc/73/17/11/344731711.db2.gz AAGPBAGPABFRIW-UHFFFAOYSA-N -1 0 260.196 2.419 20 5 CEBDRM CC(C)=CCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397717706 344852114 /nfs/dbraw/zinc/85/21/14/344852114.db2.gz UBCVGPGTVDOXJZ-UHFFFAOYSA-N -1 0 265.269 2.456 20 5 CEBDRM O=C(N[C@@H]1CCCC1(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000588787473 345055528 /nfs/dbraw/zinc/05/55/28/345055528.db2.gz GSNLRQMIFZOCOG-SNVBAGLBSA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(N2CC=CCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969238 345417095 /nfs/dbraw/zinc/41/70/95/345417095.db2.gz KSTFPWWGTSGOGO-UHFFFAOYSA-N -1 0 262.265 2.368 20 5 CEBDRM Cc1cccc(C(=O)Nc2ncn(C(C)C)n2)c1[N+](=O)[O-] ZINC000593229794 345455957 /nfs/dbraw/zinc/45/59/57/345455957.db2.gz LFCKJJOYHNBWLX-UHFFFAOYSA-N -1 0 289.295 2.328 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593886135 345548099 /nfs/dbraw/zinc/54/80/99/345548099.db2.gz JTSZERMKCWMETA-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000594639241 345664186 /nfs/dbraw/zinc/66/41/86/345664186.db2.gz VQKUMNKTNACTNA-MRVPVSSYSA-N -1 0 280.280 2.211 20 5 CEBDRM C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)[O-] ZINC000594541121 345645307 /nfs/dbraw/zinc/64/53/07/345645307.db2.gz PEJIJNRKKPDMPU-MRVPVSSYSA-N -1 0 279.296 2.001 20 5 CEBDRM Cc1cnc(NC[C@@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000594734621 345681255 /nfs/dbraw/zinc/68/12/55/345681255.db2.gz CSASJSIIXWPTMC-SNVBAGLBSA-N -1 0 279.296 2.211 20 5 CEBDRM CCSC1(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000595277440 345753370 /nfs/dbraw/zinc/75/33/70/345753370.db2.gz IUCDDDUPJVYXIT-UHFFFAOYSA-N -1 0 297.336 2.386 20 5 CEBDRM CC1(C)OC[C@H]2C[C@]21C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000597442920 346186294 /nfs/dbraw/zinc/18/62/94/346186294.db2.gz PBQAIAHOOWBXJQ-XLKFXECMSA-N -1 0 292.291 2.054 20 5 CEBDRM CC[C@@H](C)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000597979219 346262813 /nfs/dbraw/zinc/26/28/13/346262813.db2.gz VIMOXFSOCUCBMK-SECBINFHSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000085407979 179055653 /nfs/dbraw/zinc/05/56/53/179055653.db2.gz GZMKHNZYLPAFTA-WDEREUQCSA-N -1 0 292.291 2.199 20 5 CEBDRM CC[C@H](Sc1ncc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000097824181 185671798 /nfs/dbraw/zinc/67/17/98/185671798.db2.gz LSTWBFCFVNTNDD-QMMMGPOBSA-N -1 0 256.283 2.254 20 5 CEBDRM O=C(NCC1=CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598374701 346341715 /nfs/dbraw/zinc/34/17/15/346341715.db2.gz BICQJHDUBGIKKU-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM CCO[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000599749865 346576924 /nfs/dbraw/zinc/57/69/24/346576924.db2.gz DHEGOBSQRJQNRW-LBPRGKRZSA-N -1 0 282.296 2.300 20 5 CEBDRM O=[N+]([O-])c1ccccc1CN=c1[n-]nc(C(F)F)s1 ZINC000336814507 365855300 /nfs/dbraw/zinc/85/53/00/365855300.db2.gz XICKQYJDLBQIII-UHFFFAOYSA-N -1 0 286.263 2.418 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCCCO1 ZINC000603009668 347272060 /nfs/dbraw/zinc/27/20/60/347272060.db2.gz VFTIDPWIHZAFHY-UHFFFAOYSA-N -1 0 252.270 2.218 20 5 CEBDRM O=C([O-])c1cc(NC[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000086016928 179216397 /nfs/dbraw/zinc/21/63/97/179216397.db2.gz IWJHCCJCKSOZSC-TVQRCGJNSA-N -1 0 294.307 2.256 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000604490529 347418185 /nfs/dbraw/zinc/41/81/85/347418185.db2.gz ZVFVPITXPAMXJP-MRVPVSSYSA-N -1 0 252.270 2.219 20 5 CEBDRM CCC[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612523700 347897786 /nfs/dbraw/zinc/89/77/86/347897786.db2.gz ANXBUTYMODSJGI-MRVPVSSYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(Cc3ccncc3)no2)c1 ZINC000614420491 348198102 /nfs/dbraw/zinc/19/81/02/348198102.db2.gz XCGYRTQGVJTJRG-UHFFFAOYSA-N -1 0 298.258 2.336 20 5 CEBDRM COc1cc(NC[C@@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000087505741 179436220 /nfs/dbraw/zinc/43/62/20/179436220.db2.gz YDUPGYXXZBVASF-SNVBAGLBSA-N -1 0 282.296 2.372 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC1CCC(C(=O)[O-])CC1 ZINC000091558482 180190648 /nfs/dbraw/zinc/19/06/48/180190648.db2.gz CJNVHNXECVRQDK-UHFFFAOYSA-N -1 0 296.327 2.175 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000109093374 186242955 /nfs/dbraw/zinc/24/29/55/186242955.db2.gz XIQVISUALGEHLJ-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000569120528 299182519 /nfs/dbraw/zinc/18/25/19/299182519.db2.gz XYKHOVBCHBLNBT-WCBMZHEXSA-N -1 0 284.337 2.199 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000132569185 366154341 /nfs/dbraw/zinc/15/43/41/366154341.db2.gz YSUGWMWATILFHE-UHFFFAOYSA-N -1 0 290.231 2.447 20 5 CEBDRM C[C@H]1CC2(CCC2)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575752172 366357003 /nfs/dbraw/zinc/35/70/03/366357003.db2.gz JQSYNUOETNKCBN-VIFPVBQESA-N -1 0 291.307 2.457 20 5 CEBDRM CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C(F)F ZINC000452239527 283227549 /nfs/dbraw/zinc/22/75/49/283227549.db2.gz CQHJWQVWGGPZKZ-ZETCQYMHSA-N -1 0 274.223 2.074 20 5 CEBDRM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)F ZINC000452260371 283234366 /nfs/dbraw/zinc/23/43/66/283234366.db2.gz GLGCUNHSWDKBPC-MRVPVSSYSA-N -1 0 274.223 2.074 20 5 CEBDRM CCCc1nc(=NC(=O)c2ccc([N+](=O)[O-])s2)s[n-]1 ZINC000338642307 366451849 /nfs/dbraw/zinc/45/18/49/366451849.db2.gz JBLJGTMXRFKESR-UHFFFAOYSA-N -1 0 298.349 2.135 20 5 CEBDRM O=C([O-])Cc1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000579235799 366614636 /nfs/dbraw/zinc/61/46/36/366614636.db2.gz HMJHWTVFZJDUFL-UHFFFAOYSA-N -1 0 250.254 2.186 20 5 CEBDRM COC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCC1 ZINC000579664063 366677596 /nfs/dbraw/zinc/67/75/96/366677596.db2.gz JWWQMZVNPMGRAD-UHFFFAOYSA-N -1 0 280.280 2.198 20 5 CEBDRM Cc1cccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000019385105 361529982 /nfs/dbraw/zinc/52/99/82/361529982.db2.gz XNTZHVBWYZGPAZ-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031759145 361718722 /nfs/dbraw/zinc/71/87/22/361718722.db2.gz YYKQVZCTXFTYGT-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM CC[C@@H](Sc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000097824100 364520480 /nfs/dbraw/zinc/52/04/80/364520480.db2.gz HRBLOMUTJBYMPC-RXMQYKEDSA-N -1 0 287.322 2.259 20 5 CEBDRM CC1=CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000167739288 367343087 /nfs/dbraw/zinc/34/30/87/367343087.db2.gz UIAJUFWYXBNBFB-UHFFFAOYSA-N -1 0 262.265 2.449 20 5 CEBDRM O=C(Nc1ncccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000180993856 368410418 /nfs/dbraw/zinc/41/04/18/368410418.db2.gz WJXIQWHXOADHAK-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000181859573 368501484 /nfs/dbraw/zinc/50/14/84/368501484.db2.gz AFCNFPPFGGBRKB-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC(=O)c1c[nH]c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000182090392 368523715 /nfs/dbraw/zinc/52/37/15/368523715.db2.gz QOPROEYRPFDLOF-UHFFFAOYSA-N -1 0 289.247 2.083 20 5 CEBDRM CC(C)c1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000183903291 368657911 /nfs/dbraw/zinc/65/79/11/368657911.db2.gz WYLVTXFRUIVCRH-UHFFFAOYSA-N -1 0 290.279 2.399 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000184861507 368726522 /nfs/dbraw/zinc/72/65/22/368726522.db2.gz QQZSGUKVZAYRAR-UWVGGRQHSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000346829043 368790443 /nfs/dbraw/zinc/79/04/43/368790443.db2.gz MSWLTXNWCQEENA-UHFFFAOYSA-N -1 0 298.298 2.499 20 5 CEBDRM Cc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000352019392 369661469 /nfs/dbraw/zinc/66/14/69/369661469.db2.gz BBHZINMANFBKNN-AATRIKPKSA-N -1 0 273.248 2.275 20 5 CEBDRM O=C(Nc1cccc(CO)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000355569412 370603865 /nfs/dbraw/zinc/60/38/65/370603865.db2.gz PWNFWUGFBZBDHJ-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM Cc1cnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000235920388 370580624 /nfs/dbraw/zinc/58/06/24/370580624.db2.gz RCNRIXYJTYOLSA-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCCCN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236705906 370612529 /nfs/dbraw/zinc/61/25/29/370612529.db2.gz LFROSYXUGCUZGJ-UHFFFAOYSA-N -1 0 280.280 2.165 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F ZINC000358953012 371278947 /nfs/dbraw/zinc/27/89/47/371278947.db2.gz NHYVHVFRCNMMRV-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM O=C(COc1ccsc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000337377546 214038235 /nfs/dbraw/zinc/03/82/35/214038235.db2.gz AXUKRYWSRQPQNT-UHFFFAOYSA-N -1 0 294.288 2.379 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262731384 371903471 /nfs/dbraw/zinc/90/34/71/371903471.db2.gz HHPREDSNDMEUIE-DTWKUNHWSA-N -1 0 292.291 2.164 20 5 CEBDRM O=C(NCC1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000272564775 373553131 /nfs/dbraw/zinc/55/31/31/373553131.db2.gz ARJYAHVJHUVXTB-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CCOC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000276865796 374328846 /nfs/dbraw/zinc/32/88/46/374328846.db2.gz KRCDEWIERRUZGB-ZDUSSCGKSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C([O-])c1ccnc(NCCC(F)(F)F)c1[N+](=O)[O-] ZINC000381897406 375182316 /nfs/dbraw/zinc/18/23/16/375182316.db2.gz QYUVFHNOYWORNL-UHFFFAOYSA-N -1 0 279.174 2.052 20 5 CEBDRM CC1=C(C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000280319734 375168400 /nfs/dbraw/zinc/16/84/00/375168400.db2.gz YEZCZWMTTYKVRU-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM CC(C)[C@@H](C)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280750194 375306928 /nfs/dbraw/zinc/30/69/28/375306928.db2.gz KXKIFAIYUWHHSA-MRVPVSSYSA-N -1 0 252.270 2.075 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408377298 375465670 /nfs/dbraw/zinc/46/56/70/375465670.db2.gz ZVXYCBJWHCLDDD-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000560626529 376773088 /nfs/dbraw/zinc/77/30/88/376773088.db2.gz QZKSBCJNVZUJQX-UHFFFAOYSA-N -1 0 290.279 2.387 20 5 CEBDRM CC(C)(C)OCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565039378 377540349 /nfs/dbraw/zinc/54/03/49/377540349.db2.gz ZMZLIFUBZJPIIJ-UHFFFAOYSA-N -1 0 296.323 2.449 20 5 CEBDRM O=C([O-])c1cc(N(CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000567170243 377807267 /nfs/dbraw/zinc/80/72/67/377807267.db2.gz UPEIDTIMKHXTOW-UHFFFAOYSA-N -1 0 294.307 2.034 20 5 CEBDRM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])c(C)n2)cc1C ZINC000450428466 378412115 /nfs/dbraw/zinc/41/21/15/378412115.db2.gz WISPLGIGHDWHKS-MRVPVSSYSA-N -1 0 290.327 2.335 20 5 CEBDRM CC[C@@H](O)CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000450621380 378504582 /nfs/dbraw/zinc/50/45/82/378504582.db2.gz WMKXBULRLXRTRP-SSDOTTSWSA-N -1 0 288.687 2.053 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000456864507 379579362 /nfs/dbraw/zinc/57/93/62/379579362.db2.gz DLDGDYIEFISEQA-ONGXEEELSA-N -1 0 276.292 2.076 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073047214 296309925 /nfs/dbraw/zinc/30/99/25/296309925.db2.gz HCJZZRUWSPXUJI-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM CCN(CC)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548577851 380532780 /nfs/dbraw/zinc/53/27/80/380532780.db2.gz PJJGFELSKITKLS-UHFFFAOYSA-N -1 0 281.268 2.167 20 5 CEBDRM Cc1cc(N[C@@H]2CCOC[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574991715 299546599 /nfs/dbraw/zinc/54/65/99/299546599.db2.gz GCHHFWJUYFSUGC-GXSJLCMTSA-N -1 0 294.307 2.438 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280684463 194929040 /nfs/dbraw/zinc/92/90/40/194929040.db2.gz AZIWCSXITVOLDH-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000094240244 184768744 /nfs/dbraw/zinc/76/87/44/184768744.db2.gz SVCNWFBFUBYORT-UHFFFAOYSA-N -1 0 298.270 2.107 20 5 CEBDRM Cc1ccnc(NC[C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000094703580 184844132 /nfs/dbraw/zinc/84/41/32/184844132.db2.gz KWHRXUBTHOTJTG-SNVBAGLBSA-N -1 0 281.312 2.457 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237711639 131053337 /nfs/dbraw/zinc/05/33/37/131053337.db2.gz DYYYARRXLQNQCV-VIFPVBQESA-N -1 0 292.291 2.165 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000262757323 131258708 /nfs/dbraw/zinc/25/87/08/131258708.db2.gz JWQXRRQKPVRJCT-VIFPVBQESA-N -1 0 294.307 2.113 20 5 CEBDRM CCn1nccc1CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339132127 394945434 /nfs/dbraw/zinc/94/54/34/394945434.db2.gz YKJOSLVYFWNIEP-UHFFFAOYSA-N -1 0 290.323 2.149 20 5 CEBDRM CC(=O)c1cc(N[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000416427375 395061464 /nfs/dbraw/zinc/06/14/64/395061464.db2.gz PNDSUPZDNMKTGM-ZETCQYMHSA-N -1 0 266.253 2.073 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436934076 395165871 /nfs/dbraw/zinc/16/58/71/395165871.db2.gz KCHIOZCSCYXBSO-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436964301 395168779 /nfs/dbraw/zinc/16/87/79/395168779.db2.gz IAIVTHQYADMRDI-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436971979 395169995 /nfs/dbraw/zinc/16/99/95/395169995.db2.gz MBKFPHVBNLROFC-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1ncc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000436977159 395170135 /nfs/dbraw/zinc/17/01/35/395170135.db2.gz QPXAYWFHLGLZBP-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000295538217 395296714 /nfs/dbraw/zinc/29/67/14/395296714.db2.gz CIVDTPITANHPJY-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM O=C(NC[C@@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184674647 395274178 /nfs/dbraw/zinc/27/41/78/395274178.db2.gz YWFPSXRAYDOURY-NSHDSACASA-N -1 0 298.298 2.370 20 5 CEBDRM C[C@H](CCCCO)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565660484 395480252 /nfs/dbraw/zinc/48/02/52/395480252.db2.gz LFGCJQBHUFYRBX-SNVBAGLBSA-N -1 0 296.323 2.185 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)C2)n1 ZINC000573805792 395619234 /nfs/dbraw/zinc/61/92/34/395619234.db2.gz PIGLQGRYVKRKFP-OCAPTIKFSA-N -1 0 279.296 2.089 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CSC[C@H]2C)n1 ZINC000573971871 395623254 /nfs/dbraw/zinc/62/32/54/395623254.db2.gz YBGQJOJGJZOKBH-HZGVNTEJSA-N -1 0 297.336 2.160 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(CF)CC2)c1 ZINC000574813961 395638047 /nfs/dbraw/zinc/63/80/47/395638047.db2.gz SEZVAFRHWNHJOV-UHFFFAOYSA-N -1 0 282.271 2.479 20 5 CEBDRM Cc1ccnc(NCCCCCC(=O)[O-])c1[N+](=O)[O-] ZINC000070495525 175956616 /nfs/dbraw/zinc/95/66/16/175956616.db2.gz FQPOXLZUOVFHQE-UHFFFAOYSA-N -1 0 267.285 2.355 20 5 CEBDRM COc1cc([N+](=O)[O-])ccc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078880364 177399975 /nfs/dbraw/zinc/39/99/75/177399975.db2.gz DZTNKBVPUKLPDX-UHFFFAOYSA-N -1 0 296.279 2.043 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000424904613 264372671 /nfs/dbraw/zinc/37/26/71/264372671.db2.gz IDBJSBDJRVWGGQ-JQWIXIFHSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC(CC(F)F)C1 ZINC000425078060 271121916 /nfs/dbraw/zinc/12/19/16/271121916.db2.gz URKHYAFGLVNZHB-UHFFFAOYSA-N -1 0 286.234 2.028 20 5 CEBDRM O=c1[n-]c(Sc2ccc([N+](=O)[O-])c3cccnc23)n[nH]1 ZINC000429327327 271322922 /nfs/dbraw/zinc/32/29/22/271322922.db2.gz AWOSIHYKKSTJNF-UHFFFAOYSA-N -1 0 289.276 2.118 20 5 CEBDRM CC(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000262105603 278246775 /nfs/dbraw/zinc/24/67/75/278246775.db2.gz JQGSQJZPSXTKRX-LLVKDONJSA-N -1 0 292.291 2.098 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000272598547 278411056 /nfs/dbraw/zinc/41/10/56/278411056.db2.gz XEZIKBUIYMKJAN-IUCAKERBSA-N -1 0 264.281 2.028 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000311608988 281115321 /nfs/dbraw/zinc/11/53/21/281115321.db2.gz ITWCYOFGRNKZHV-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286647817 281138066 /nfs/dbraw/zinc/13/80/66/281138066.db2.gz BORIMYKQWSNELW-SNVBAGLBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C([O-])[C@H]1CC12CCN(c1ccccc1[N+](=O)[O-])CC2 ZINC000405430287 289293424 /nfs/dbraw/zinc/29/34/24/289293424.db2.gz JPEURGWJGPYVOT-SNVBAGLBSA-N -1 0 276.292 2.286 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cncc(F)c1 ZINC000487776389 290362441 /nfs/dbraw/zinc/36/24/41/290362441.db2.gz KEKNMMIPDVZRKC-UPHRSURJSA-N -1 0 289.222 2.393 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000162344544 297451750 /nfs/dbraw/zinc/45/17/50/297451750.db2.gz RYUFSCUOCCDFTH-RKDXNWHRSA-N -1 0 279.296 2.170 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000191226439 300385334 /nfs/dbraw/zinc/38/53/34/300385334.db2.gz XLEILRKAYUBPDD-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130316142 300480499 /nfs/dbraw/zinc/48/04/99/300480499.db2.gz JBXAMPFEAILYNE-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000412673884 303841293 /nfs/dbraw/zinc/84/12/93/303841293.db2.gz PSCHTEYPXGBZKB-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCO1 ZINC000519827926 313120717 /nfs/dbraw/zinc/12/07/17/313120717.db2.gz WNYCGMJBJARNND-ZDUSSCGKSA-N -1 0 294.307 2.154 20 5 CEBDRM C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])CC(=O)[O-] ZINC000563214218 313724138 /nfs/dbraw/zinc/72/41/38/313724138.db2.gz RUNWKHBFGWRECF-SECBINFHSA-N -1 0 289.291 2.088 20 5 CEBDRM CC(C)C[C@@H](CO)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565034960 313791406 /nfs/dbraw/zinc/79/14/06/313791406.db2.gz JHMHRNSYZIQTNC-NSHDSACASA-N -1 0 296.323 2.136 20 5 CEBDRM C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000567865969 313913103 /nfs/dbraw/zinc/91/31/03/313913103.db2.gz KCXBKEHEODIPHB-RKDXNWHRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C([O-])c1ccnc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000579115574 314551128 /nfs/dbraw/zinc/55/11/28/314551128.db2.gz PQQVIOUDCDFLFG-FKTZTGRPSA-N -1 0 277.280 2.289 20 5 CEBDRM CC1(C)OCC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000381291150 321832963 /nfs/dbraw/zinc/83/29/63/321832963.db2.gz JNKWKWMXFBFYBP-LLVKDONJSA-N -1 0 280.280 2.272 20 5 CEBDRM O=C([O-])c1cc(N[C@@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000386129710 321867708 /nfs/dbraw/zinc/86/77/08/321867708.db2.gz OBAJNIILLDOOAN-LBPRGKRZSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1cc(NC[C@]2(C)CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581312677 322386241 /nfs/dbraw/zinc/38/62/41/322386241.db2.gz ASPGZIHRHBUYDJ-AWEZNQCLSA-N -1 0 294.307 2.440 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCCO2)c1 ZINC000211876453 326865780 /nfs/dbraw/zinc/86/57/80/326865780.db2.gz GQKGVISZHOSBHE-JTQLQIEISA-N -1 0 280.280 2.274 20 5 CEBDRM Cc1c(C(=O)NC(C)(C)CCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000050194991 525601138 /nfs/dbraw/zinc/60/11/38/525601138.db2.gz XRMVALRYDHQMSC-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000061609708 527646813 /nfs/dbraw/zinc/64/68/13/527646813.db2.gz VVPPDPCRMLMJJG-LBPRGKRZSA-N -1 0 287.275 2.270 20 5 CEBDRM O=C([O-])[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000061609654 527647516 /nfs/dbraw/zinc/64/75/16/527647516.db2.gz YYFNKZQYYHDLPV-NSHDSACASA-N -1 0 287.275 2.270 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000740521408 574468475 /nfs/dbraw/zinc/46/84/75/574468475.db2.gz QWYJWQJGRMCDBJ-LLVKDONJSA-N -1 0 265.269 2.149 20 5 CEBDRM CSc1ccc(C(=O)OCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738144867 574487728 /nfs/dbraw/zinc/48/77/28/574487728.db2.gz WVNZDYRGSCSUOC-UHFFFAOYSA-N -1 0 299.304 2.338 20 5 CEBDRM O=C([N-]c1nc(C2CC2)no1)c1csc([N+](=O)[O-])c1 ZINC000734879602 574734005 /nfs/dbraw/zinc/73/40/05/574734005.db2.gz PCNGVMPIZYZTRW-UHFFFAOYSA-N -1 0 280.265 2.169 20 5 CEBDRM C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000736606921 574793311 /nfs/dbraw/zinc/79/33/11/574793311.db2.gz NJPUHDOWAOJUAR-LURJTMIESA-N -1 0 281.293 2.337 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCCC(=O)[O-] ZINC000738296120 574857086 /nfs/dbraw/zinc/85/70/86/574857086.db2.gz PZDZTGLTUJAJLU-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738399290 574861058 /nfs/dbraw/zinc/86/10/58/574861058.db2.gz JUPUPPSGDDWUJH-BQBZGAKWSA-N -1 0 299.666 2.183 20 5 CEBDRM CC(C)N(CCCNc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000738849005 574881884 /nfs/dbraw/zinc/88/18/84/574881884.db2.gz UKVPOFXKTDMOQH-UHFFFAOYSA-N -1 0 282.300 2.180 20 5 CEBDRM O=C([O-])c1cc(NC(=O)c2cncs2)cc([N+](=O)[O-])c1 ZINC000740088445 574941621 /nfs/dbraw/zinc/94/16/21/574941621.db2.gz IHRALYLYZDYKRO-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM Cc1cc(NCCN(C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000740092065 574942006 /nfs/dbraw/zinc/94/20/06/574942006.db2.gz YBNFLYCFKKRJBA-UHFFFAOYSA-N -1 0 279.296 2.458 20 5 CEBDRM O=C([O-])NCCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000740651651 574963212 /nfs/dbraw/zinc/96/32/12/574963212.db2.gz IMEMKCPYKFFWFS-UHFFFAOYSA-N -1 0 273.676 2.318 20 5 CEBDRM O=C([O-])N[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740595711 574960534 /nfs/dbraw/zinc/96/05/34/574960534.db2.gz HTMQIEDRENUTRF-SNVBAGLBSA-N -1 0 299.714 2.090 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1ncccc1[N+](=O)[O-] ZINC000050196172 597363270 /nfs/dbraw/zinc/36/32/70/597363270.db2.gz WVONIKQUENVUGL-UHFFFAOYSA-N -1 0 253.258 2.045 20 5 CEBDRM C[C@@H](Sc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000235237070 600205209 /nfs/dbraw/zinc/20/52/09/600205209.db2.gz ZAUWRCGODKKVFH-SCSAIBSYSA-N -1 0 262.674 2.208 20 5 CEBDRM O=C([O-])c1ccc2c(c1)CN(c1ccc([N+](=O)[O-])nc1)C2 ZINC000156625890 600396754 /nfs/dbraw/zinc/39/67/54/600396754.db2.gz MLHVRSCGNGVMAV-UHFFFAOYSA-N -1 0 285.259 2.208 20 5 CEBDRM CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C(=O)[O-] ZINC000830874719 601316759 /nfs/dbraw/zinc/31/67/59/601316759.db2.gz KCTBWXRXSCCVSV-UHFFFAOYSA-N -1 0 293.279 2.031 20 5 CEBDRM C[C@H](SCc1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000827909012 601345389 /nfs/dbraw/zinc/34/53/89/601345389.db2.gz QADANQASDRDVLG-LURJTMIESA-N -1 0 259.258 2.440 20 5 CEBDRM C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000826008447 601371582 /nfs/dbraw/zinc/37/15/82/601371582.db2.gz IJEVLCBZKIRJSY-SSDOTTSWSA-N -1 0 278.264 2.278 20 5 CEBDRM C/C(=C\COC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000825781703 601422194 /nfs/dbraw/zinc/42/21/94/601422194.db2.gz YJTCIVGSWUQKJD-VMPITWQZSA-N -1 0 279.248 2.091 20 5 CEBDRM Cc1ccnc(Nc2cc(C(=O)[O-])n(C)c2)c1[N+](=O)[O-] ZINC000832984298 602134420 /nfs/dbraw/zinc/13/44/20/602134420.db2.gz PWNDKWITVHOLTN-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000827324753 602186836 /nfs/dbraw/zinc/18/68/36/602186836.db2.gz KQWGIMGVZMJSQG-IUCAKERBSA-N -1 0 281.264 2.310 20 5 CEBDRM Cc1cc(NC[C@@H](O)CC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896655 602315845 /nfs/dbraw/zinc/31/58/45/602315845.db2.gz KAMXFJDGSIDVIC-NSHDSACASA-N -1 0 296.323 2.420 20 5 CEBDRM O=C([O-])c1sccc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000833162515 602396497 /nfs/dbraw/zinc/39/64/97/602396497.db2.gz ZJMXBXDTJIZYIX-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM COc1cc(NCC[C@@H](C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000829198111 603182684 /nfs/dbraw/zinc/18/26/84/603182684.db2.gz NHLNPDSKHAMQMW-MRVPVSSYSA-N -1 0 283.284 2.062 20 5 CEBDRM Cc1cnc(N[C@H]2CCCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830634542 603207521 /nfs/dbraw/zinc/20/75/21/603207521.db2.gz YNUPWVOVTIMOLL-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM Cc1ccc(N2CCCN(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000830347221 603442885 /nfs/dbraw/zinc/44/28/85/603442885.db2.gz QVHZWAGQJIBKPG-UHFFFAOYSA-N -1 0 279.296 2.093 20 5 CEBDRM Cc1ccc(NCC[C@H](C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830395152 603443337 /nfs/dbraw/zinc/44/33/37/603443337.db2.gz CANVGPJBXDQLNR-VIFPVBQESA-N -1 0 267.285 2.361 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000830137892 603443405 /nfs/dbraw/zinc/44/34/05/603443405.db2.gz HMPQVFZEFRCJPZ-NSHDSACASA-N -1 0 293.323 2.339 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(Nc2cc(C(=O)[O-])n(C)c2)n1 ZINC000832957868 604272442 /nfs/dbraw/zinc/27/24/42/604272442.db2.gz ORVWPGGJOLOWSA-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM C/C(=C/CSc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000825793301 604791946 /nfs/dbraw/zinc/79/19/46/604791946.db2.gz QVMNEKVOLKIOBL-DAXSKMNVSA-N -1 0 254.267 2.113 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cccc([N+](=O)[O-])c2)O1 ZINC000833577890 604885015 /nfs/dbraw/zinc/88/50/15/604885015.db2.gz JCSAKEACJBNFPN-LLVKDONJSA-N -1 0 279.248 2.121 20 5 CEBDRM CC(C)(C)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000833429082 605235490 /nfs/dbraw/zinc/23/54/90/605235490.db2.gz GYVHDHQPDACZNT-SNVBAGLBSA-N -1 0 296.279 2.036 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000833820327 605501430 /nfs/dbraw/zinc/50/14/30/605501430.db2.gz XLUKJURIHGSVBT-BDAKNGLRSA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1 ZINC000833907553 605865110 /nfs/dbraw/zinc/86/51/10/605865110.db2.gz MAGSUCSFRFCSMJ-QWRGUYRKSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2c1ccsc1[N+](=O)[O-] ZINC000834096867 605948110 /nfs/dbraw/zinc/94/81/10/605948110.db2.gz FJNDOBHZGSOFMU-BDAKNGLRSA-N -1 0 297.336 2.377 20 5 CEBDRM C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000890766946 622943925 /nfs/dbraw/zinc/94/39/25/622943925.db2.gz LHOOHQCEOHZARW-BXKDBHETSA-N -1 0 276.292 2.385 20 5 CEBDRM O=C([O-])C1(CNc2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000165959208 623994636 /nfs/dbraw/zinc/99/46/36/623994636.db2.gz PGBBNDCAKMCOLO-UHFFFAOYSA-N -1 0 298.270 2.027 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CC1 ZINC000158518004 624558263 /nfs/dbraw/zinc/55/82/63/624558263.db2.gz YZIRNIPBTMCIPM-UHFFFAOYSA-N -1 0 250.254 2.180 20 5 CEBDRM Cc1c(NC(=O)CC2(C(=O)[O-])CCC2)cccc1[N+](=O)[O-] ZINC000261613859 628948421 /nfs/dbraw/zinc/94/84/21/628948421.db2.gz FJCGELJMTSOZOW-UHFFFAOYSA-N -1 0 292.291 2.487 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000802918021 631482806 /nfs/dbraw/zinc/48/28/06/631482806.db2.gz PSNHLHGYUMKWIX-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM CO[C@@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000899351137 632800675 /nfs/dbraw/zinc/80/06/75/632800675.db2.gz APGKBVSSNLAGEE-VIFPVBQESA-N -1 0 277.280 2.031 20 5 CEBDRM O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000817754469 633737335 /nfs/dbraw/zinc/73/73/35/633737335.db2.gz CLMAKSJRXXJXRZ-GHMZBOCLSA-N -1 0 290.279 2.070 20 5 CEBDRM CC(C)(C)N1CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000901218168 633993723 /nfs/dbraw/zinc/99/37/23/633993723.db2.gz NJRNXQRSEUYWCE-NSHDSACASA-N -1 0 293.323 2.112 20 5 CEBDRM Cc1cc(N2CCO[C@@H](C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000906155124 636613857 /nfs/dbraw/zinc/61/38/57/636613857.db2.gz DCDGSQACWMZVRF-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H]2CCC=CO2)n1 ZINC000844208837 640632879 /nfs/dbraw/zinc/63/28/79/640632879.db2.gz ORJPSKSZVFPIHR-SECBINFHSA-N -1 0 293.279 2.101 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000849349041 642340370 /nfs/dbraw/zinc/34/03/70/642340370.db2.gz ZLVQYDBYVJWPNM-QZPNVGJNSA-N -1 0 292.291 2.284 20 5 CEBDRM O=C(Nc1ccc(F)nc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000122581406 648453736 /nfs/dbraw/zinc/45/37/36/648453736.db2.gz ZBYIQXZIORNYNY-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000693429775 802908576 /nfs/dbraw/zinc/90/85/76/802908576.db2.gz JVTACEGSLCLEAX-WCBMZHEXSA-N -1 0 282.271 2.281 20 5 CEBDRM CCn1ncc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001146507474 814291547 /nfs/dbraw/zinc/29/15/47/814291547.db2.gz XOBRAEXHLRMYMP-UHFFFAOYSA-N -1 0 290.279 2.078 20 5 CEBDRM Nc1ccc2cn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc2c1 ZINC001176677583 816453705 /nfs/dbraw/zinc/45/37/05/816453705.db2.gz ZSIQLEPTZVSRQT-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C([O-])CCCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036137989 361831456 /nfs/dbraw/zinc/83/14/56/361831456.db2.gz DSGWHEWNOGNYTE-UHFFFAOYSA-N -1 0 266.253 2.178 20 5 CEBDRM CCC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000036338366 361842502 /nfs/dbraw/zinc/84/25/02/361842502.db2.gz ZULFMXSCKOSCSU-NSHDSACASA-N -1 0 286.309 2.030 20 5 CEBDRM O=C(N[C@@H]1CCCC12CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000601704518 346882445 /nfs/dbraw/zinc/88/24/45/346882445.db2.gz KNHCECGCAZBGRP-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM O=c1cc(C[C@@H]2CCCO2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000601931202 346929464 /nfs/dbraw/zinc/92/94/64/346929464.db2.gz GNBCNQSLKLWMLT-ZDUSSCGKSA-N -1 0 289.291 2.257 20 5 CEBDRM CC1(c2cc(=O)n(-c3cccc([N+](=O)[O-])c3)[n-]2)CC1 ZINC000601933387 346930002 /nfs/dbraw/zinc/93/00/02/346930002.db2.gz ZNOWKHKQBLCVIW-UHFFFAOYSA-N -1 0 259.265 2.488 20 5 CEBDRM CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2OC)[n-]1 ZINC000601936186 346932234 /nfs/dbraw/zinc/93/22/34/346932234.db2.gz QITWQFHIRNQPTJ-UHFFFAOYSA-N -1 0 263.253 2.106 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000044619105 343475566 /nfs/dbraw/zinc/47/55/66/343475566.db2.gz WDZSOTPPNFKEGR-LBPRGKRZSA-N -1 0 289.291 2.442 20 5 CEBDRM CCN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044383838 343470793 /nfs/dbraw/zinc/47/07/93/343470793.db2.gz XFQUOIOVMHXOJL-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM CC[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000157603775 344447303 /nfs/dbraw/zinc/44/73/03/344447303.db2.gz ULMYXNBAIFOMGT-VIFPVBQESA-N -1 0 297.336 2.020 20 5 CEBDRM CC[C@H](C)CN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166670202 344476336 /nfs/dbraw/zinc/47/63/36/344476336.db2.gz HTQSNAYZFVHJPU-QMMMGPOBSA-N -1 0 267.285 2.170 20 5 CEBDRM CCCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166642718 344476515 /nfs/dbraw/zinc/47/65/15/344476515.db2.gz RMFJOXXGWODAQQ-UHFFFAOYSA-N -1 0 253.258 2.290 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166653215 344476587 /nfs/dbraw/zinc/47/65/87/344476587.db2.gz BJGAYRBUBORIGL-RKDXNWHRSA-N -1 0 279.296 2.170 20 5 CEBDRM CC1=CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000230813111 344573902 /nfs/dbraw/zinc/57/39/02/344573902.db2.gz NXQGQVYJWTXYJP-UHFFFAOYSA-N -1 0 262.265 2.449 20 5 CEBDRM CC(C)(NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000232533455 344578208 /nfs/dbraw/zinc/57/82/08/344578208.db2.gz URGQQFWXLLYHIT-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(N[C@@H]2CCOC[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584617697 344965855 /nfs/dbraw/zinc/96/58/55/344965855.db2.gz ZZZFRVABPOSALK-JOYOIKCWSA-N -1 0 294.307 2.438 20 5 CEBDRM CCCC[C@H](Sc1c([N+](=O)[O-])c(C)nn1C)C(=O)[O-] ZINC000584791226 344988307 /nfs/dbraw/zinc/98/83/07/344988307.db2.gz BVECDKSFQWJYQZ-QMMMGPOBSA-N -1 0 287.341 2.372 20 5 CEBDRM CN(CCCC(=O)[O-])c1c(F)cccc1[N+](=O)[O-] ZINC000336785447 365804182 /nfs/dbraw/zinc/80/41/82/365804182.db2.gz DNACXKVSAICEAC-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM O=C(NCc1ccc(Cl)o1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000591725105 345275064 /nfs/dbraw/zinc/27/50/64/345275064.db2.gz BUQSLVNKQVGZBE-UHFFFAOYSA-N -1 0 296.666 2.477 20 5 CEBDRM O=C([O-])c1cccc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c1 ZINC000592454014 345355270 /nfs/dbraw/zinc/35/52/70/345355270.db2.gz BAHABZVIBDKICQ-UHFFFAOYSA-N -1 0 287.275 2.415 20 5 CEBDRM CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000592953094 345416557 /nfs/dbraw/zinc/41/65/57/345416557.db2.gz QKQJFWVKVOASTO-JTQLQIEISA-N -1 0 294.307 2.052 20 5 CEBDRM CCCCN(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592964008 345416596 /nfs/dbraw/zinc/41/65/96/345416596.db2.gz OCSURAMURKUNLL-UHFFFAOYSA-N -1 0 267.285 2.233 20 5 CEBDRM C[C@H]1CC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592799596 345397791 /nfs/dbraw/zinc/39/77/91/345397791.db2.gz RYSKPVVSKWALFX-IMTBSYHQSA-N -1 0 284.699 2.482 20 5 CEBDRM C[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])CC(F)F ZINC000592826232 345400245 /nfs/dbraw/zinc/40/02/45/345400245.db2.gz PPSURPDNVDNEBF-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccncc1 ZINC000105565181 232193605 /nfs/dbraw/zinc/19/36/05/232193605.db2.gz DXSZAVWEQBIALV-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C(=O)[O-] ZINC000594540667 345645602 /nfs/dbraw/zinc/64/56/02/345645602.db2.gz HMUYIKBBIOQKGJ-SNVBAGLBSA-N -1 0 293.323 2.332 20 5 CEBDRM C[C@@]1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1(F)F ZINC000594736506 345681874 /nfs/dbraw/zinc/68/18/74/345681874.db2.gz QMXLSNXUVMTBEV-JTQLQIEISA-N -1 0 287.222 2.145 20 5 CEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1 ZINC000595277219 345753468 /nfs/dbraw/zinc/75/34/68/345753468.db2.gz AGLDXCWVHRQOQJ-UHFFFAOYSA-N -1 0 294.307 2.168 20 5 CEBDRM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595780386 345874378 /nfs/dbraw/zinc/87/43/78/345874378.db2.gz KBOHZBJCEZYXEZ-MNOVXSKESA-N -1 0 280.324 2.300 20 5 CEBDRM O=c1[nH]ccc(NCC2(CO)CCCCC2)c1[N+](=O)[O-] ZINC000596156003 345954537 /nfs/dbraw/zinc/95/45/37/345954537.db2.gz YCKBUFKSIBOHDH-UHFFFAOYSA-N -1 0 281.312 2.050 20 5 CEBDRM CC(C)(F)CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598199764 346303820 /nfs/dbraw/zinc/30/38/20/346303820.db2.gz UQGIJJMPYZWIEY-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F ZINC000598217662 346308723 /nfs/dbraw/zinc/30/87/23/346308723.db2.gz VPKGQQXUMJYHRZ-NSHDSACASA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(NCC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000598783584 346419506 /nfs/dbraw/zinc/41/95/06/346419506.db2.gz POSJICJPRNQIGF-SSDOTTSWSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000339231692 215030356 /nfs/dbraw/zinc/03/03/56/215030356.db2.gz LQLRSRCNWQXFJZ-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000599750326 346576724 /nfs/dbraw/zinc/57/67/24/346576724.db2.gz JLOOOONOLACNMN-NMSKTSORSA-N -1 0 294.307 2.298 20 5 CEBDRM Cc1ccc(CN=c2[n-]nc([C@@H]3C[C@H]3C)o2)cc1[N+](=O)[O-] ZINC000601064915 346742199 /nfs/dbraw/zinc/74/21/99/346742199.db2.gz UIFNGJRRIUHAOB-MWLCHTKSSA-N -1 0 288.307 2.444 20 5 CEBDRM O=C(Nc1c(O)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535821 347792102 /nfs/dbraw/zinc/79/21/02/347792102.db2.gz NDTUCCKGJWSXMK-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM C[C@H]1C[C@H]1CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357308065 233042220 /nfs/dbraw/zinc/04/22/20/233042220.db2.gz DBEUYQQKSDUSPU-WPRPVWTQSA-N -1 0 274.280 2.135 20 5 CEBDRM C[C@@H](S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000618023636 348855994 /nfs/dbraw/zinc/85/59/94/348855994.db2.gz KLRUZGCCYRXFMG-JGVFFNPUSA-N -1 0 298.320 2.128 20 5 CEBDRM COC1CCC(CCN=c2[n-]cc([N+](=O)[O-])s2)CC1 ZINC000336985266 365972461 /nfs/dbraw/zinc/97/24/61/365972461.db2.gz UYGYKYYJVLXVOM-UHFFFAOYSA-N -1 0 285.369 2.480 20 5 CEBDRM CC[C@@H](CSC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119727715 186847441 /nfs/dbraw/zinc/84/74/41/186847441.db2.gz LDSHSPXRLIFSJN-VIFPVBQESA-N -1 0 284.337 2.172 20 5 CEBDRM C[C@H]1CSCCN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000070543638 363094990 /nfs/dbraw/zinc/09/49/90/363094990.db2.gz ZYXNJQZCNIVJRI-QMMMGPOBSA-N -1 0 282.321 2.235 20 5 CEBDRM CC[C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000271472773 191159301 /nfs/dbraw/zinc/15/93/01/191159301.db2.gz IUXUIMNPEKFWST-JOYOIKCWSA-N -1 0 280.280 2.197 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCSC[C@@H](C(=O)[O-])C1 ZINC000577955563 366420782 /nfs/dbraw/zinc/42/07/82/366420782.db2.gz XXNBSKMXGBHWKR-JTQLQIEISA-N -1 0 296.348 2.157 20 5 CEBDRM CCCc1nc(=NC(=O)c2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000338643630 366452507 /nfs/dbraw/zinc/45/25/07/366452507.db2.gz WPJYSHZTPRLACK-UHFFFAOYSA-N -1 0 292.320 2.073 20 5 CEBDRM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)C)cc([N+](=O)[O-])c1 ZINC000137092099 366536153 /nfs/dbraw/zinc/53/61/53/366536153.db2.gz JGTXWGTVIQPTHR-UHFFFAOYSA-N -1 0 294.307 2.086 20 5 CEBDRM O=C(CSC1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000297330458 200151350 /nfs/dbraw/zinc/15/13/50/200151350.db2.gz AGGPEMXYIGVOPB-UHFFFAOYSA-N -1 0 268.294 2.135 20 5 CEBDRM O=C([O-])CN(Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000578907350 366565313 /nfs/dbraw/zinc/56/53/13/366565313.db2.gz VXGXZZPHRSAGLF-UHFFFAOYSA-N -1 0 270.310 2.095 20 5 CEBDRM O=C(CC[C@@H]1CCOC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180764329 189273935 /nfs/dbraw/zinc/27/39/35/189273935.db2.gz SCDJSGACOFHSKX-SECBINFHSA-N -1 0 280.280 2.056 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356370469 370682069 /nfs/dbraw/zinc/68/20/69/370682069.db2.gz WJEFMGQEKPPTGH-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000028200028 361668117 /nfs/dbraw/zinc/66/81/17/361668117.db2.gz FKAMPSGLAAMPOG-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1ccnc(NC[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000087508360 363857843 /nfs/dbraw/zinc/85/78/43/363857843.db2.gz FIFHVVVZQMJYNB-VIFPVBQESA-N -1 0 267.285 2.067 20 5 CEBDRM CC(C)C[C@@H](CNc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000094703206 364289225 /nfs/dbraw/zinc/28/92/25/364289225.db2.gz SCBQEMIPEHJOHS-VIFPVBQESA-N -1 0 267.285 2.149 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000112728206 364837159 /nfs/dbraw/zinc/83/71/59/364837159.db2.gz AXVJOUVMMPFDCE-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000582787811 366957525 /nfs/dbraw/zinc/95/75/25/366957525.db2.gz RVZFLGKBJHYMNJ-ZJUUUORDSA-N -1 0 282.271 2.311 20 5 CEBDRM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000161127658 367059759 /nfs/dbraw/zinc/05/97/59/367059759.db2.gz BWOOTROUQFEFAT-UHFFFAOYSA-N -1 0 291.315 2.016 20 5 CEBDRM CC[C@@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC000166875610 367330032 /nfs/dbraw/zinc/33/00/32/367330032.db2.gz SWJYGJQQEPUGKW-MRVPVSSYSA-N -1 0 297.336 2.020 20 5 CEBDRM Cc1cncc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000182085531 368523987 /nfs/dbraw/zinc/52/39/87/368523987.db2.gz TZTKCBZZFFUJLU-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(Nc1cccc(O)c1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182167641 368530541 /nfs/dbraw/zinc/53/05/41/368530541.db2.gz CFRIIPODBRPHRN-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C[C@@H]21 ZINC000182051929 368519793 /nfs/dbraw/zinc/51/97/93/368519793.db2.gz WQGGDXFDONULHP-PHIMTYICSA-N -1 0 276.292 2.028 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC000346306487 368628946 /nfs/dbraw/zinc/62/89/46/368628946.db2.gz FBAOQAJPDLELIJ-UHFFFAOYSA-N -1 0 265.200 2.020 20 5 CEBDRM CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186226297 368941856 /nfs/dbraw/zinc/94/18/56/368941856.db2.gz CFIUFYGRRAHOLZ-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM C[C@H]1CC[C@H](C)N1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000330631791 203060646 /nfs/dbraw/zinc/06/06/46/203060646.db2.gz GNYSWTYGVFQFRH-UWVGGRQHSA-N -1 0 293.323 2.112 20 5 CEBDRM CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CCO1 ZINC000572768462 299397766 /nfs/dbraw/zinc/39/77/66/299397766.db2.gz AXXHXXABVVJXDC-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350650120 369561846 /nfs/dbraw/zinc/56/18/46/369561846.db2.gz KZBFCAPCVSTESZ-POYBYMJQSA-N -1 0 261.237 2.474 20 5 CEBDRM C[C@@H]1CCSCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000190136194 369597573 /nfs/dbraw/zinc/59/75/73/369597573.db2.gz XOZQUYVTQPIFIB-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM CSC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000194621376 370058700 /nfs/dbraw/zinc/05/87/00/370058700.db2.gz FXABFIKVHNQQLM-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CCC[C@](C)(NCc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC ZINC000358304227 371003517 /nfs/dbraw/zinc/00/35/17/371003517.db2.gz VQABNYDRRCUURT-AWEZNQCLSA-N -1 0 296.323 2.122 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262786002 371907652 /nfs/dbraw/zinc/90/76/52/371907652.db2.gz JSUPDIJHJQAVFE-SNVBAGLBSA-N -1 0 292.291 2.069 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000272630601 373589777 /nfs/dbraw/zinc/58/97/77/373589777.db2.gz BBLMZNFETWMEAB-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1C ZINC000272680143 373612696 /nfs/dbraw/zinc/61/26/96/373612696.db2.gz NFLBJIBSCYKZRX-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H](CCCO)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000384531651 375211881 /nfs/dbraw/zinc/21/18/81/375211881.db2.gz ZNFDHZWDXOEJTH-VIFPVBQESA-N -1 0 282.296 2.114 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@H]21 ZINC000408374656 375463994 /nfs/dbraw/zinc/46/39/94/375463994.db2.gz IODJSDQSGIMHJL-TVQRCGJNSA-N -1 0 276.292 2.315 20 5 CEBDRM Cc1cccc(N2CCSC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000574043866 299473176 /nfs/dbraw/zinc/47/31/76/299473176.db2.gz WOSUFQVAKLQGNU-SNVBAGLBSA-N -1 0 296.348 2.157 20 5 CEBDRM CC(=O)c1ccc(N[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000416428392 376067971 /nfs/dbraw/zinc/06/79/71/376067971.db2.gz UKBJNIVDLTZNCP-ZETCQYMHSA-N -1 0 266.253 2.073 20 5 CEBDRM CC(C)(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000314508825 376776483 /nfs/dbraw/zinc/77/64/83/376776483.db2.gz JBKODOUWYBMJCF-UHFFFAOYSA-N -1 0 295.295 2.217 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(CF)CCC1 ZINC000563190887 377119874 /nfs/dbraw/zinc/11/98/74/377119874.db2.gz YBBUOKCHSILCEV-UHFFFAOYSA-N -1 0 268.244 2.379 20 5 CEBDRM C[C@@]1(F)CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000563213249 377127569 /nfs/dbraw/zinc/12/75/69/377127569.db2.gz BOBVXXUGGJJFKQ-GFCCVEGCSA-N -1 0 283.259 2.016 20 5 CEBDRM CC[C@]1(C)COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330450712 377139606 /nfs/dbraw/zinc/13/96/06/377139606.db2.gz JMZSOQLDLNINIQ-CQSZACIVSA-N -1 0 280.324 2.301 20 5 CEBDRM Cc1cc(NC[C@](C)(O)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034292 377538467 /nfs/dbraw/zinc/53/84/67/377538467.db2.gz CWKDWYHNOPONPW-AWEZNQCLSA-N -1 0 296.323 2.420 20 5 CEBDRM C[C@@H](CN(C)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000042703809 249298798 /nfs/dbraw/zinc/29/87/98/249298798.db2.gz LONYZQFIXVRKKR-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM O=C(Nc1cccc(CO)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000184910790 249334398 /nfs/dbraw/zinc/33/43/98/249334398.db2.gz FXKGPWGRUNYGSI-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM Cc1cc(NCC[N@@H+](C)C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567169852 377807730 /nfs/dbraw/zinc/80/77/30/377807730.db2.gz CFXFLFXRIYONLP-UHFFFAOYSA-N -1 0 293.323 2.108 20 5 CEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(F)F ZINC000452859233 378732075 /nfs/dbraw/zinc/73/20/75/378732075.db2.gz IDVRTOYTEWTZPV-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])cn2)c1C ZINC000302217896 379333086 /nfs/dbraw/zinc/33/30/86/379333086.db2.gz KMUNNBZSEOIQFP-UHFFFAOYSA-N -1 0 276.300 2.433 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N(CC(F)F)C1CC1 ZINC000280989346 195059456 /nfs/dbraw/zinc/05/94/56/195059456.db2.gz QEOOORWERLMFNK-UHFFFAOYSA-N -1 0 286.234 2.170 20 5 CEBDRM Cc1cccc(N2CCC[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000235924948 394485298 /nfs/dbraw/zinc/48/52/98/394485298.db2.gz JPWHTCHOULSQRD-JTQLQIEISA-N -1 0 264.281 2.204 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000356724001 394594548 /nfs/dbraw/zinc/59/45/48/394594548.db2.gz FYAAAVMRBPDDAV-SNVBAGLBSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000422557079 394709033 /nfs/dbraw/zinc/70/90/33/394709033.db2.gz IJVRDJQOVKQRFZ-KCJUWKMLSA-N -1 0 293.323 2.154 20 5 CEBDRM CSCCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118957334 394762608 /nfs/dbraw/zinc/76/26/08/394762608.db2.gz YJCHOJNRUSEFCW-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3cccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC000283592556 394935445 /nfs/dbraw/zinc/93/54/45/394935445.db2.gz XTAQYHBDSOQJOT-AOOOYVTPSA-N -1 0 276.292 2.028 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436564568 395128159 /nfs/dbraw/zinc/12/81/59/395128159.db2.gz PZRGDAYIXKTSBF-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H]1C(F)F ZINC000436701578 395146514 /nfs/dbraw/zinc/14/65/14/395146514.db2.gz ZFHWYNFLXJGZON-SECBINFHSA-N -1 0 286.234 2.170 20 5 CEBDRM O=C(Nc1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436710123 395148022 /nfs/dbraw/zinc/14/80/22/395148022.db2.gz QNRPJMGIJSTSRS-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000436832597 395158566 /nfs/dbraw/zinc/15/85/66/395158566.db2.gz SRTYRWJSZYNQSA-BXKDBHETSA-N -1 0 276.292 2.315 20 5 CEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC1(C)C ZINC000436819510 395156148 /nfs/dbraw/zinc/15/61/48/395156148.db2.gz DIDKGHPCOHCHCG-NSHDSACASA-N -1 0 264.281 2.171 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963122 395168822 /nfs/dbraw/zinc/16/88/22/395168822.db2.gz DIEGZRRHVDGNSX-SECBINFHSA-N -1 0 264.281 2.076 20 5 CEBDRM Cc1cc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000398907923 395239513 /nfs/dbraw/zinc/23/95/13/395239513.db2.gz NKQMTTUMEWGEJH-GXSJLCMTSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000194738828 395447728 /nfs/dbraw/zinc/44/77/28/395447728.db2.gz NNVYKLKVRMIBQV-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM Cc1cc(N(C)C[C@@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565954623 395492737 /nfs/dbraw/zinc/49/27/37/395492737.db2.gz UHDRRURVCOFCAB-NSHDSACASA-N -1 0 294.307 2.217 20 5 CEBDRM CN(CCC(F)(F)F)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217315871 153297661 /nfs/dbraw/zinc/29/76/61/153297661.db2.gz CFHAOBUKYINHIJ-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)C(=O)[O-] ZINC000263195433 154032121 /nfs/dbraw/zinc/03/21/21/154032121.db2.gz LSGBOQVFBHYOLT-UWVGGRQHSA-N -1 0 294.307 2.051 20 5 CEBDRM CC(C)(CCC(=O)[O-])Nc1ncc([N+](=O)[O-])cc1F ZINC000263413736 154078533 /nfs/dbraw/zinc/07/85/33/154078533.db2.gz NFGZIDFFCFMBSU-UHFFFAOYSA-N -1 0 271.248 2.184 20 5 CEBDRM CC[C@H](C)[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000263442983 154092774 /nfs/dbraw/zinc/09/27/74/154092774.db2.gz XQTVJGAPHSNMHT-BQBZGAKWSA-N -1 0 298.324 2.215 20 5 CEBDRM Cc1nscc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182308950 165368236 /nfs/dbraw/zinc/36/82/36/165368236.db2.gz WTCRMUCPUNSQEM-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM O=C([O-])CCNc1ccc([N+](=O)[O-])cc1Br ZINC000044467069 175177596 /nfs/dbraw/zinc/17/75/96/175177596.db2.gz GKDGAFPKFBBXFQ-UHFFFAOYSA-N -1 0 289.085 2.244 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747660 175243261 /nfs/dbraw/zinc/24/32/61/175243261.db2.gz CACFXYPYUZAIDS-PELKAZGASA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nccs1 ZINC000078868251 177398806 /nfs/dbraw/zinc/39/88/06/177398806.db2.gz ZYCQMWMXVZADTP-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)[C@@H](C)O1 ZINC000521050105 260259875 /nfs/dbraw/zinc/25/98/75/260259875.db2.gz ADYFKYSLJPOULK-KXUCPTDWSA-N -1 0 294.307 2.295 20 5 CEBDRM C[C@H](CC(F)(F)F)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000231901691 270314892 /nfs/dbraw/zinc/31/48/92/270314892.db2.gz URPOHJORBAYVQV-ZCFIWIBFSA-N -1 0 292.213 2.371 20 5 CEBDRM Cc1ccoc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436701171 271684119 /nfs/dbraw/zinc/68/41/19/271684119.db2.gz CCASKRXJXLRITQ-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000184937359 288921807 /nfs/dbraw/zinc/92/18/07/288921807.db2.gz BWFQBHMOWJGOIS-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000457313431 289757755 /nfs/dbraw/zinc/75/77/55/289757755.db2.gz AJSISCLWYNHOGA-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000458249582 289903082 /nfs/dbraw/zinc/90/30/82/289903082.db2.gz CUWQNXYIQUSTAA-QRTLGDNMSA-N -1 0 276.292 2.219 20 5 CEBDRM CSC[C@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486964485 290324762 /nfs/dbraw/zinc/32/47/62/290324762.db2.gz HXKHDFXDKNSXOM-QMMMGPOBSA-N -1 0 294.336 2.230 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000263381163 294991649 /nfs/dbraw/zinc/99/16/49/294991649.db2.gz CMSIUQSTDFYYBA-QMMMGPOBSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235569339 299906941 /nfs/dbraw/zinc/90/69/41/299906941.db2.gz IKSDWZQYZPUXFM-GZMMTYOYSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000191299421 297178388 /nfs/dbraw/zinc/17/83/88/297178388.db2.gz JYIMGOLIPCQJLF-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262731381 297366522 /nfs/dbraw/zinc/36/65/22/297366522.db2.gz HHPREDSNDMEUIE-BDAKNGLRSA-N -1 0 292.291 2.164 20 5 CEBDRM CC(C)Oc1nc(N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000515433056 297574770 /nfs/dbraw/zinc/57/47/70/297574770.db2.gz OBBXHXPZTXFSNI-UHFFFAOYSA-N -1 0 297.311 2.078 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H](C)S1 ZINC000539938388 298260016 /nfs/dbraw/zinc/26/00/16/298260016.db2.gz ZAEYNMRLIQBVKB-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM C/C=C\C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000562505311 298694147 /nfs/dbraw/zinc/69/41/47/298694147.db2.gz QTDYQJJKFPMPQR-BYCRGOAPSA-N -1 0 292.291 2.052 20 5 CEBDRM C[C@H]1CC[C@@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000343821711 300045376 /nfs/dbraw/zinc/04/53/76/300045376.db2.gz YJPBMIOJNFBWGS-KWQFWETISA-N -1 0 274.280 2.277 20 5 CEBDRM Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000135210147 301136030 /nfs/dbraw/zinc/13/60/30/301136030.db2.gz NVSRPRACCDNQPO-LBPRGKRZSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C(NC1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000183575927 303748514 /nfs/dbraw/zinc/74/85/14/303748514.db2.gz PGLUKPRJYFTMJT-UHFFFAOYSA-N -1 0 298.298 2.198 20 5 CEBDRM CC(C)(NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000548462587 313564078 /nfs/dbraw/zinc/56/40/78/313564078.db2.gz LGEKWPGZPYHRIY-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563209573 313723406 /nfs/dbraw/zinc/72/34/06/313723406.db2.gz KRRUQLZHQKUNEJ-VXGBXAGGSA-N -1 0 294.307 2.173 20 5 CEBDRM C[C@@H](CCCO)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000564571344 313767642 /nfs/dbraw/zinc/76/76/42/313767642.db2.gz FVPBMDOWOZGXAW-JTQLQIEISA-N -1 0 296.323 2.042 20 5 CEBDRM Cc1cc(N[C@@H](C)C[C@@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565035957 313791988 /nfs/dbraw/zinc/79/19/88/313791988.db2.gz QGKWJEDFSWLAEO-DTWKUNHWSA-N -1 0 282.296 2.173 20 5 CEBDRM CC1(C)CC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000571049242 314069621 /nfs/dbraw/zinc/06/96/21/314069621.db2.gz GLOIHMKPDGTJPX-QMMMGPOBSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573447196 314157920 /nfs/dbraw/zinc/15/79/20/314157920.db2.gz BGPHIOWGDUNCAB-AOOOYVTPSA-N -1 0 294.307 2.215 20 5 CEBDRM COc1cc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000583934425 326801079 /nfs/dbraw/zinc/80/10/79/326801079.db2.gz FQSKFBFFBDVBGY-KOLCDFICSA-N -1 0 294.307 2.150 20 5 CEBDRM CN(C[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211495214 326863266 /nfs/dbraw/zinc/86/32/66/326863266.db2.gz NNRXSURZIWRCHB-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM CCOCCN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000584175058 327058377 /nfs/dbraw/zinc/05/83/77/327058377.db2.gz GTPHIUFLTHVLQH-UHFFFAOYSA-N -1 0 282.296 2.074 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000584243310 327126529 /nfs/dbraw/zinc/12/65/29/327126529.db2.gz WVCMWGRVSHRNPY-IUCAKERBSA-N -1 0 292.291 2.021 20 5 CEBDRM CC(C)N(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000183561351 519579508 /nfs/dbraw/zinc/57/95/08/519579508.db2.gz DIEITFJLTFAQPG-UHFFFAOYSA-N -1 0 264.281 2.313 20 5 CEBDRM O=C(NCCc1cccs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164013978 534490265 /nfs/dbraw/zinc/49/02/65/534490265.db2.gz VCMKWNJKRUEJFD-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM COCCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183906659 523103857 /nfs/dbraw/zinc/10/38/57/523103857.db2.gz BQVILTINOBPGFM-UHFFFAOYSA-N -1 0 268.269 2.056 20 5 CEBDRM CO[C@@H](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000184136011 523383057 /nfs/dbraw/zinc/38/30/57/523383057.db2.gz KZLMSPBTUDORGC-QMMMGPOBSA-N -1 0 268.269 2.054 20 5 CEBDRM O=C(Nc1ccc(F)cn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160059452 534831610 /nfs/dbraw/zinc/83/16/10/534831610.db2.gz UDLZATCMJXXCIG-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC(F)(F)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000357775052 528730565 /nfs/dbraw/zinc/73/05/65/528730565.db2.gz VOYHSSQENVCZQG-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM CCc1ccc(C(=O)N(C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000236962405 536163392 /nfs/dbraw/zinc/16/33/92/536163392.db2.gz LQBRJTVMJMURNP-UHFFFAOYSA-N -1 0 294.307 2.094 20 5 CEBDRM O=Cc1ccc(-c2cnc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000874973262 649878121 /nfs/dbraw/zinc/87/81/21/649878121.db2.gz ZFQXSPNOHLSNPW-UHFFFAOYSA-N -1 0 278.245 2.229 20 5 CEBDRM O=Cc1ccc(-c2ccc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000874972615 649878164 /nfs/dbraw/zinc/87/81/64/649878164.db2.gz IHKDAMDUZXHOJS-UHFFFAOYSA-N -1 0 261.189 2.366 20 5 CEBDRM C[C@H]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000736798999 574797324 /nfs/dbraw/zinc/79/73/24/574797324.db2.gz LFJMYCXXVNGCQB-ZETCQYMHSA-N -1 0 295.251 2.047 20 5 CEBDRM Cc1c(OC(=O)CCCN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000738304835 574857206 /nfs/dbraw/zinc/85/72/06/574857206.db2.gz HJZIYJJAFVZYFH-UHFFFAOYSA-N -1 0 296.279 2.199 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H](C)N1C(=O)[O-] ZINC000739194559 574899242 /nfs/dbraw/zinc/89/92/42/574899242.db2.gz PPHUPVOURKFETA-YUMQZZPRSA-N -1 0 285.325 2.233 20 5 CEBDRM CN(CCNc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000739700849 574931408 /nfs/dbraw/zinc/93/14/08/574931408.db2.gz KMBAAXLODGHLLS-UHFFFAOYSA-N -1 0 296.308 2.226 20 5 CEBDRM O=C([O-])N(CCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000740488068 574956125 /nfs/dbraw/zinc/95/61/25/574956125.db2.gz BVPQURXDWFTIPY-UHFFFAOYSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000062132861 596900734 /nfs/dbraw/zinc/90/07/34/596900734.db2.gz FKGIPHWUNGLMHN-ZETCQYMHSA-N -1 0 270.672 2.159 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000054297452 597052135 /nfs/dbraw/zinc/05/21/35/597052135.db2.gz OEGWNXJMSUZPIF-JTQLQIEISA-N -1 0 264.281 2.286 20 5 CEBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000833181424 600868906 /nfs/dbraw/zinc/86/89/06/600868906.db2.gz OJHWMAGAMOKZAB-RKDXNWHRSA-N -1 0 299.666 2.012 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147224 600995574 /nfs/dbraw/zinc/99/55/74/600995574.db2.gz WVCJXVJNUPSMTQ-CABZTGNLSA-N -1 0 294.307 2.132 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000828634657 601134328 /nfs/dbraw/zinc/13/43/28/601134328.db2.gz WGNFIAPRBVCBLG-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000832905480 601199235 /nfs/dbraw/zinc/19/92/35/601199235.db2.gz OKMVUAMQCRQGEC-SNVBAGLBSA-N -1 0 279.296 2.458 20 5 CEBDRM C/C(=C/COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000825758951 601406949 /nfs/dbraw/zinc/40/69/49/601406949.db2.gz STLSWILGWUWIFQ-DODKFZKMSA-N -1 0 291.259 2.182 20 5 CEBDRM C/C(=C\COC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000825781067 601408049 /nfs/dbraw/zinc/40/80/49/601408049.db2.gz OSVPJRITNRTOOR-SOFGYWHQSA-N -1 0 279.248 2.091 20 5 CEBDRM C/C(=C\COC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000825769333 601420610 /nfs/dbraw/zinc/42/06/10/601420610.db2.gz NYFCZQUTNGFGTG-YCRREMRBSA-N -1 0 279.248 2.091 20 5 CEBDRM Cn1cc(Nc2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000833052596 602134320 /nfs/dbraw/zinc/13/43/20/602134320.db2.gz CHSLRKLBEKFZNZ-UHFFFAOYSA-N -1 0 261.237 2.375 20 5 CEBDRM CCN(CCCNc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] ZINC000827129072 603889769 /nfs/dbraw/zinc/88/97/69/603889769.db2.gz ADXPLOIWUVCAJH-UHFFFAOYSA-N -1 0 282.300 2.100 20 5 CEBDRM Cc1cc(N[C@@H]2CCC[C@H]2CNC(=O)[O-])ncc1[N+](=O)[O-] ZINC000830117484 603892581 /nfs/dbraw/zinc/89/25/81/603892581.db2.gz ZDARFEURXSURAT-VHSXEESVSA-N -1 0 294.311 2.146 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])cn1)C1CCC(NC(=O)[O-])CC1 ZINC000828434915 604219116 /nfs/dbraw/zinc/21/91/16/604219116.db2.gz QQCYHHGGVSUOSG-UHFFFAOYSA-N -1 0 294.311 2.005 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830138727 604224200 /nfs/dbraw/zinc/22/42/00/604224200.db2.gz YWWMIPTUANNXBL-NSHDSACASA-N -1 0 279.296 2.092 20 5 CEBDRM C[C@H](CCO)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827417930 604266627 /nfs/dbraw/zinc/26/66/27/604266627.db2.gz TXWFXZQCOINDHX-ZCFIWIBFSA-N -1 0 288.687 2.129 20 5 CEBDRM Cc1nc(NCC[C@@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830775420 604442608 /nfs/dbraw/zinc/44/26/08/604442608.db2.gz OJYWLZDYJHCRQL-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1cc(N2CCOC[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000833746266 604466458 /nfs/dbraw/zinc/46/64/58/604466458.db2.gz WHPNYZPKAGIAPV-VIFPVBQESA-N -1 0 294.307 2.074 20 5 CEBDRM CC(=O)c1ccc(N2CCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000825951219 604471557 /nfs/dbraw/zinc/47/15/57/604471557.db2.gz AHXRGSUPQXFIRY-NSHDSACASA-N -1 0 292.291 2.241 20 5 CEBDRM C/C(=C/COc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000123055481 604528307 /nfs/dbraw/zinc/52/83/07/604528307.db2.gz XJYOEJYLAYFQDO-YVMONPNESA-N -1 0 251.238 2.313 20 5 CEBDRM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000833696827 605105921 /nfs/dbraw/zinc/10/59/21/605105921.db2.gz VKHFWLUZFOJANZ-UHFFFAOYSA-N -1 0 289.291 2.253 20 5 CEBDRM O=C([O-])CCSCCNc1sccc1[N+](=O)[O-] ZINC000833774971 605240658 /nfs/dbraw/zinc/24/06/58/605240658.db2.gz PMNRRGHBWHSYRW-UHFFFAOYSA-N -1 0 276.339 2.276 20 5 CEBDRM O=C([O-])N1CC[C@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000831888883 605480621 /nfs/dbraw/zinc/48/06/21/605480621.db2.gz LYOYEFUFBJKARA-QMMMGPOBSA-N -1 0 283.309 2.082 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)[O-])CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000825845331 605481059 /nfs/dbraw/zinc/48/10/59/605481059.db2.gz ORRAFUHCVLWBIO-IUCAKERBSA-N -1 0 297.286 2.359 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000833819771 605496679 /nfs/dbraw/zinc/49/66/79/605496679.db2.gz VHXDEOZNNQDOKR-YUMQZZPRSA-N -1 0 285.325 2.139 20 5 CEBDRM CCCO[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000844088406 622992373 /nfs/dbraw/zinc/99/23/73/622992373.db2.gz PQJUAHSVGKZPHT-UHFFFAOYSA-N -1 0 266.297 2.330 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000311461129 624260846 /nfs/dbraw/zinc/26/08/46/624260846.db2.gz OGIOFURQCPIKAU-BXKDBHETSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1c(NC(=O)N(C)C[C@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000235081959 624647236 /nfs/dbraw/zinc/64/72/36/624647236.db2.gz KTECTFDRNRKUHX-QMMMGPOBSA-N -1 0 295.295 2.088 20 5 CEBDRM O=C(N[C@@H]1C[C@H]2CCC[C@@H]21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000889607394 630102323 /nfs/dbraw/zinc/10/23/23/630102323.db2.gz VWHSRCGHEAYWEY-UBHAPETDSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H](CC1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000803017599 631503547 /nfs/dbraw/zinc/50/35/47/631503547.db2.gz ISIDIORWKHRUKI-VIFPVBQESA-N -1 0 282.296 2.285 20 5 CEBDRM O=C(OCc1noc2c1CCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000810834018 632283650 /nfs/dbraw/zinc/28/36/50/632283650.db2.gz JQLMRGOISBHBJS-UHFFFAOYSA-N -1 0 291.263 2.147 20 5 CEBDRM CCn1cc(CSCc2cc([O-])ccc2[N+](=O)[O-])nn1 ZINC000901862958 634335021 /nfs/dbraw/zinc/33/50/21/634335021.db2.gz FJFKRPBLGIQUIK-UHFFFAOYSA-N -1 0 294.336 2.345 20 5 CEBDRM O=C([O-])/C=C\c1ccc(N2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906148929 636624892 /nfs/dbraw/zinc/62/48/92/636624892.db2.gz NROUKFYFBLEHLZ-CJHWANRJSA-N -1 0 294.282 2.488 20 5 CEBDRM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000907988732 637202551 /nfs/dbraw/zinc/20/25/51/637202551.db2.gz JAVMLRZONBLBCS-NXEZZACHSA-N -1 0 293.323 2.208 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000834653355 637906007 /nfs/dbraw/zinc/90/60/07/637906007.db2.gz BFRCUNBWKMNFCH-IUCAKERBSA-N -1 0 296.348 2.314 20 5 CEBDRM CS[C@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910364329 638017323 /nfs/dbraw/zinc/01/73/23/638017323.db2.gz MTTVASCNRDBRPI-MRVPVSSYSA-N -1 0 284.337 2.385 20 5 CEBDRM CC(C)(CCC(=O)Nc1ccc(F)c(F)c1[O-])[N+](=O)[O-] ZINC000837266273 639156942 /nfs/dbraw/zinc/15/69/42/639156942.db2.gz LQFWPGVWURQIOD-UHFFFAOYSA-N -1 0 288.250 2.444 20 5 CEBDRM CC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837436787 639216526 /nfs/dbraw/zinc/21/65/26/639216526.db2.gz DMTZFSAIVITKCZ-UHFFFAOYSA-N -1 0 253.254 2.390 20 5 CEBDRM C[C@@H]1COCC[C@@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837672595 639336584 /nfs/dbraw/zinc/33/65/84/639336584.db2.gz DWQIJKDRWFFWNH-SKDRFNHKSA-N -1 0 295.291 2.016 20 5 CEBDRM O=C([N-]c1cnoc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000060393522 639612901 /nfs/dbraw/zinc/61/29/01/639612901.db2.gz BPALCBBWQUWIKS-UHFFFAOYSA-N -1 0 267.628 2.489 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062933455 639797842 /nfs/dbraw/zinc/79/78/42/639797842.db2.gz LTUJQCHWDPBIGE-CYBMUJFWSA-N -1 0 264.281 2.204 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000834662014 640430913 /nfs/dbraw/zinc/43/09/13/640430913.db2.gz WKLNAKDSBJSPFD-RKDXNWHRSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@H](O)C[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211115 640632593 /nfs/dbraw/zinc/63/25/93/640632593.db2.gz UPPHZUXDTWNIMT-SBXZVLJPSA-N -1 0 294.307 2.264 20 5 CEBDRM COC(C)(C)CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844216467 640634606 /nfs/dbraw/zinc/63/46/06/640634606.db2.gz ZUBZHWZPVYRJBL-UHFFFAOYSA-N -1 0 296.323 2.083 20 5 CEBDRM Cc1nc(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1C ZINC000845712009 641056092 /nfs/dbraw/zinc/05/60/92/641056092.db2.gz UOKKTDMUVWDDHX-UHFFFAOYSA-N -1 0 295.320 2.396 20 5 CEBDRM C[C@]1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1(F)F ZINC000851262284 642963121 /nfs/dbraw/zinc/96/31/21/642963121.db2.gz LJHLMJUYVKREEJ-SECBINFHSA-N -1 0 260.196 2.125 20 5 CEBDRM COC(C)(C)[C@H](C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000922582069 643141574 /nfs/dbraw/zinc/14/15/74/643141574.db2.gz SLGIZNARGOFBMY-VIFPVBQESA-N -1 0 268.313 2.204 20 5 CEBDRM C[C@H]1CC(OC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@H](C)O1 ZINC000756037505 644596129 /nfs/dbraw/zinc/59/61/29/644596129.db2.gz KSPBZUSRTOBOMY-YUMQZZPRSA-N -1 0 268.269 2.036 20 5 CEBDRM COC1CCC(OC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000757938239 644860559 /nfs/dbraw/zinc/86/05/59/644860559.db2.gz RUSMCEVMCUZZSF-UHFFFAOYSA-N -1 0 268.269 2.037 20 5 CEBDRM COCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(C)C ZINC000757980176 644866720 /nfs/dbraw/zinc/86/67/20/644866720.db2.gz ITIKQRAJWMWXFC-SNVBAGLBSA-N -1 0 270.285 2.141 20 5 CEBDRM O=[N+]([O-])c1cnc([N-]c2ccn(-c3ccccc3)n2)nc1 ZINC000760520152 645167210 /nfs/dbraw/zinc/16/72/10/645167210.db2.gz SDRYIINAZFUXNV-UHFFFAOYSA-N -1 0 282.263 2.314 20 5 CEBDRM CCO[C@@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000859863505 645638058 /nfs/dbraw/zinc/63/80/58/645638058.db2.gz ARPHHOZHGJIKKB-CYBMUJFWSA-N -1 0 295.291 2.159 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccco1 ZINC000764794512 645690695 /nfs/dbraw/zinc/69/06/95/645690695.db2.gz POAQAUUEBUUVOE-SSDOTTSWSA-N -1 0 250.210 2.434 20 5 CEBDRM CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865908375 647532455 /nfs/dbraw/zinc/53/24/55/647532455.db2.gz NWOZZEIJBUBJFP-UHFFFAOYSA-N -1 0 289.238 2.012 20 5 CEBDRM COC(=O)[C@@H](CC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000782665826 647649657 /nfs/dbraw/zinc/64/96/57/647649657.db2.gz VGBIZUXGHQOTJI-SECBINFHSA-N -1 0 298.295 2.058 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000128503442 806769038 /nfs/dbraw/zinc/76/90/38/806769038.db2.gz JNUDQWADLJXPOJ-DTWKUNHWSA-N -1 0 252.270 2.424 20 5 CEBDRM O=C(NOc1ccc(F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001146550856 814294983 /nfs/dbraw/zinc/29/49/83/814294983.db2.gz LUNJFACKPQJQAU-UHFFFAOYSA-N -1 0 292.222 2.163 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccccn2)cc1[N+](=O)[O-] ZINC001174502561 816029246 /nfs/dbraw/zinc/02/92/46/816029246.db2.gz VOYIHIHRRAYZEW-UHFFFAOYSA-N -1 0 259.221 2.432 20 5 CEBDRM Cc1cncnc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504113 816030038 /nfs/dbraw/zinc/03/00/38/816030038.db2.gz FDQFUMVFNWGEAZ-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCCCC(=O)[O-] ZINC000037830545 361952457 /nfs/dbraw/zinc/95/24/57/361952457.db2.gz PGJZZCQNSJDCBG-UHFFFAOYSA-N -1 0 294.307 2.198 20 5 CEBDRM Cc1cc(N2CCC[C@@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000042162322 362063651 /nfs/dbraw/zinc/06/36/51/362063651.db2.gz UWLKGWDXWNBIIX-SNVBAGLBSA-N -1 0 264.281 2.347 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1[C@@H]1CCSC1 ZINC000601944794 346937395 /nfs/dbraw/zinc/93/73/95/346937395.db2.gz HXFDHQMEVKHVEM-LLVKDONJSA-N -1 0 291.332 2.037 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOCC12CCC2 ZINC000093509795 344226056 /nfs/dbraw/zinc/22/60/56/344226056.db2.gz BTXXLULYSPBGDF-UHFFFAOYSA-N -1 0 278.308 2.055 20 5 CEBDRM CCOc1cc(N(C)[C@H](CC)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000111044922 344270517 /nfs/dbraw/zinc/27/05/17/344270517.db2.gz YBFQJDPZZOZRMZ-SNVBAGLBSA-N -1 0 282.296 2.293 20 5 CEBDRM O=C(NC[C@@H]1Cc2ccccc21)c1cccc([N+](=O)[O-])c1[O-] ZINC000121072778 344301506 /nfs/dbraw/zinc/30/15/06/344301506.db2.gz XWSOCUMBWFUSAD-NSHDSACASA-N -1 0 298.298 2.370 20 5 CEBDRM O=C([O-])C1(CNc2ccncc2[N+](=O)[O-])CCCC1 ZINC000137845157 344388378 /nfs/dbraw/zinc/38/83/78/344388378.db2.gz UYQLEKDFPTVUGZ-UHFFFAOYSA-N -1 0 265.269 2.047 20 5 CEBDRM CC(C)CCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000159998040 344457071 /nfs/dbraw/zinc/45/70/71/344457071.db2.gz VVFJZVVQPHHSKQ-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM C[C@H]1CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000166777891 344476882 /nfs/dbraw/zinc/47/68/82/344476882.db2.gz ODNXXJZGRDNPQF-YUMQZZPRSA-N -1 0 297.336 2.018 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CC=CCC2)n1 ZINC000166740277 344477124 /nfs/dbraw/zinc/47/71/24/344477124.db2.gz OCWCKZAGHLPKJM-SECBINFHSA-N -1 0 277.280 2.456 20 5 CEBDRM C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000235357237 344590360 /nfs/dbraw/zinc/59/03/60/344590360.db2.gz JJHFKOKVJOTQLQ-VXNVDRBHSA-N -1 0 284.699 2.405 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000050195933 362409740 /nfs/dbraw/zinc/40/97/40/362409740.db2.gz UPWPYCCFVHVIQF-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1occc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586752304 345017883 /nfs/dbraw/zinc/01/78/83/345017883.db2.gz HXTFNMRXOHGQHD-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1F ZINC000586805240 345024100 /nfs/dbraw/zinc/02/41/00/345024100.db2.gz OAVRLCYMCSSXHJ-GZMMTYOYSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@@H]1CC[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592799597 345397889 /nfs/dbraw/zinc/39/78/89/345397889.db2.gz RYSKPVVSKWALFX-MUWHJKNJSA-N -1 0 284.699 2.482 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593887524 345548753 /nfs/dbraw/zinc/54/87/53/345548753.db2.gz VRDUMQZIDCNYMW-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC[C@@H](CCF)C2)c1[N+](=O)[O-] ZINC000594735220 345682011 /nfs/dbraw/zinc/68/20/11/345682011.db2.gz IGZVGKLKMIAHRM-VIFPVBQESA-N -1 0 297.286 2.264 20 5 CEBDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc([N+](=O)[O-])s1 ZINC000595972425 345919718 /nfs/dbraw/zinc/91/97/18/345919718.db2.gz BROCWNNQDCPDCZ-HTQZYQBOSA-N -1 0 270.310 2.346 20 5 CEBDRM CO[C@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000597443870 346186817 /nfs/dbraw/zinc/18/68/17/346186817.db2.gz YSNRKKASQMOLGK-WPRPVWTQSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000597491012 346193041 /nfs/dbraw/zinc/19/30/41/346193041.db2.gz CXLYYSBFAXDYJJ-NOZJJQNGSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000085329551 179019696 /nfs/dbraw/zinc/01/96/96/179019696.db2.gz NSVIQKJECBVHJZ-SCZZXKLOSA-N -1 0 268.244 2.399 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598386497 346343382 /nfs/dbraw/zinc/34/33/82/346343382.db2.gz PZWUDDYRANRRPO-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598386487 346343493 /nfs/dbraw/zinc/34/34/93/346343493.db2.gz PYDGRLGPMKUZJX-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@]1(C(=O)[O-])CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000062926462 362735065 /nfs/dbraw/zinc/73/50/65/362735065.db2.gz NELPLLPXALVDLX-LBPRGKRZSA-N -1 0 268.244 2.035 20 5 CEBDRM Cc1ccoc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336836927 365905984 /nfs/dbraw/zinc/90/59/84/365905984.db2.gz XWPAOVZFUDPZCK-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000611214600 347752849 /nfs/dbraw/zinc/75/28/49/347752849.db2.gz JXPVRNQZWPJIJW-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000611559162 347794961 /nfs/dbraw/zinc/79/49/61/347794961.db2.gz UDTXAECWQPTRHN-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1F ZINC000612565944 347901980 /nfs/dbraw/zinc/90/19/80/347901980.db2.gz NKOBTDXPAVECJT-WCBMZHEXSA-N -1 0 282.271 2.121 20 5 CEBDRM CC1=CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000273347411 192121400 /nfs/dbraw/zinc/12/14/00/192121400.db2.gz SEQPXFBNKJZBRD-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000357116909 233009552 /nfs/dbraw/zinc/00/95/52/233009552.db2.gz BQXZGQKVBVCWDG-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM COCc1n[n-]c(=N[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000450570012 282666289 /nfs/dbraw/zinc/66/62/89/282666289.db2.gz ZIKQJEKQTZRTPA-QMMMGPOBSA-N -1 0 294.336 2.188 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000092090942 180322352 /nfs/dbraw/zinc/32/23/52/180322352.db2.gz DZOBVJBCORSKPX-DTORHVGOSA-N -1 0 264.281 2.385 20 5 CEBDRM CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000452667692 283350001 /nfs/dbraw/zinc/35/00/01/283350001.db2.gz HIPUFFMOWQWYLW-QMMMGPOBSA-N -1 0 274.223 2.074 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000452768790 283379387 /nfs/dbraw/zinc/37/93/87/283379387.db2.gz VWTSSBJSWCDMNA-SCZZXKLOSA-N -1 0 264.281 2.076 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CCCSC2)n1 ZINC000578537125 366511375 /nfs/dbraw/zinc/51/13/75/366511375.db2.gz WSMUALASJUCNSC-MRVPVSSYSA-N -1 0 297.336 2.304 20 5 CEBDRM CCC[C@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000297379818 200169327 /nfs/dbraw/zinc/16/93/27/200169327.db2.gz DGYRMCKULDRQFD-NSHDSACASA-N -1 0 268.269 2.054 20 5 CEBDRM CCc1coc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000571544387 299315541 /nfs/dbraw/zinc/31/55/41/299315541.db2.gz SWJJZYBUPJJRFV-UHFFFAOYSA-N -1 0 277.236 2.103 20 5 CEBDRM O=C([O-])Cc1ccc(NCC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000571644887 299320299 /nfs/dbraw/zinc/32/02/99/299320299.db2.gz HZXSYGHVVFOWFZ-SNVBAGLBSA-N -1 0 294.307 2.060 20 5 CEBDRM CCC(=O)c1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000579843728 366712979 /nfs/dbraw/zinc/71/29/79/366712979.db2.gz SJINOGTXJRCCOM-UHFFFAOYSA-N -1 0 269.278 2.364 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000030651476 361701780 /nfs/dbraw/zinc/70/17/80/361701780.db2.gz RLNOVDOSSGLVBK-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM CCC[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000087488271 363857318 /nfs/dbraw/zinc/85/73/18/363857318.db2.gz UXONJEVKKYIQNM-JTQLQIEISA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531159 363977502 /nfs/dbraw/zinc/97/75/02/363977502.db2.gz BACNDCKGPUVROA-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM COCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000089531806 363977590 /nfs/dbraw/zinc/97/75/90/363977590.db2.gz BRYYEBQZNZTEKS-UHFFFAOYSA-N -1 0 292.247 2.292 20 5 CEBDRM CCCCOCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089540753 363977901 /nfs/dbraw/zinc/97/79/01/363977901.db2.gz OKWHQITVEXMRNI-UHFFFAOYSA-N -1 0 268.269 2.056 20 5 CEBDRM CC(C)(C)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119474370 365278237 /nfs/dbraw/zinc/27/82/37/365278237.db2.gz VMDKRRNXHBZFST-UHFFFAOYSA-N -1 0 292.744 2.325 20 5 CEBDRM CC[C@@H](C)[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160117936 366974634 /nfs/dbraw/zinc/97/46/34/366974634.db2.gz AGMRATALJZNYAH-BDAKNGLRSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164695366 367293731 /nfs/dbraw/zinc/29/37/31/367293731.db2.gz PMSOXNRCMNLMGM-BDAKNGLRSA-N -1 0 296.348 2.266 20 5 CEBDRM CSCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182087000 368523992 /nfs/dbraw/zinc/52/39/92/368523992.db2.gz HTZNJYQRXFBCQU-UHFFFAOYSA-N -1 0 270.310 2.382 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3cccnc3)[n-]2)cc1 ZINC000346368085 368652312 /nfs/dbraw/zinc/65/23/12/368652312.db2.gz DLGGZXGNWMDMNE-UHFFFAOYSA-N -1 0 297.274 2.074 20 5 CEBDRM CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000184587973 368705492 /nfs/dbraw/zinc/70/54/92/368705492.db2.gz ARVKCNSGCHASSL-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192964842 369875901 /nfs/dbraw/zinc/87/59/01/369875901.db2.gz LFCCOSIARSSGSG-MRVPVSSYSA-N -1 0 292.291 2.211 20 5 CEBDRM CC(C)=CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000229159888 370419902 /nfs/dbraw/zinc/41/99/02/370419902.db2.gz LERFGXXSQYWHMS-UHFFFAOYSA-N -1 0 251.242 2.066 20 5 CEBDRM CC(C)CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232586024 370507121 /nfs/dbraw/zinc/50/71/21/370507121.db2.gz ZFHZFMQSMBUPAY-UHFFFAOYSA-N -1 0 252.270 2.028 20 5 CEBDRM CCC(CC)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232862500 370512512 /nfs/dbraw/zinc/51/25/12/370512512.db2.gz VCPUELQBGBOOLK-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C(NCc1cccs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236562048 370592627 /nfs/dbraw/zinc/59/26/27/370592627.db2.gz RECAQYLEHYCNCF-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355564014 370601670 /nfs/dbraw/zinc/60/16/70/370601670.db2.gz IRWSOZMRFSPYKK-HTQZYQBOSA-N -1 0 250.254 2.285 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC1CCC(C(=O)[O-])CC1 ZINC000261804544 371737611 /nfs/dbraw/zinc/73/76/11/371737611.db2.gz ZDFNYJVUHFGVMS-UHFFFAOYSA-N -1 0 296.327 2.175 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCS1 ZINC000272642803 373597241 /nfs/dbraw/zinc/59/72/41/373597241.db2.gz DUNNMAAZOIWIFU-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM CC[C@@H](C)[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272600559 373574940 /nfs/dbraw/zinc/57/49/40/373574940.db2.gz QTEPDGSNZGMCRT-RKDXNWHRSA-N -1 0 266.297 2.465 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000275126116 374162174 /nfs/dbraw/zinc/16/21/74/374162174.db2.gz NTMGMSFSDVOJLI-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM CO[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000381192470 375170968 /nfs/dbraw/zinc/17/09/68/375170968.db2.gz JALGPGSCOYTGQN-GFCCVEGCSA-N -1 0 280.280 2.130 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000387983553 375282828 /nfs/dbraw/zinc/28/28/28/375282828.db2.gz RVFUEPUBZFRCEK-BDAKNGLRSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000388752476 375294683 /nfs/dbraw/zinc/29/46/83/375294683.db2.gz MSYUKTYBNOANKI-VIFPVBQESA-N -1 0 268.269 2.130 20 5 CEBDRM CC(C)CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280772151 375316275 /nfs/dbraw/zinc/31/62/75/375316275.db2.gz MQTNKOQDVLRVQL-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000412666702 375649206 /nfs/dbraw/zinc/64/92/06/375649206.db2.gz AOMACQRBIBEXPN-NXEZZACHSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1nc(N[C@@H](CCC(C)(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000416436735 376071102 /nfs/dbraw/zinc/07/11/02/376071102.db2.gz DXINZVGGCCHJKV-VIFPVBQESA-N -1 0 296.327 2.385 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000287413681 376226570 /nfs/dbraw/zinc/22/65/70/376226570.db2.gz ZPIOMOZFIUCFNY-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000424971365 377317121 /nfs/dbraw/zinc/31/71/21/377317121.db2.gz RFVQYVMKWPWXRA-CMPLNLGQSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC000427937991 377469699 /nfs/dbraw/zinc/46/96/99/377469699.db2.gz MZNPQEFGGFOSQO-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(C)O[C@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000565039446 377540014 /nfs/dbraw/zinc/54/00/14/377540014.db2.gz AWFADOBJAHKMAW-AOOOYVTPSA-N -1 0 295.295 2.056 20 5 CEBDRM Cc1nc([N-]c2cn(C)nc2C2CC2)ncc1[N+](=O)[O-] ZINC000295670738 378258708 /nfs/dbraw/zinc/25/87/08/378258708.db2.gz JZFWNAGQSPQRLR-UHFFFAOYSA-N -1 0 274.284 2.048 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCCC(C)(C)C(=O)[O-] ZINC000302610825 379406177 /nfs/dbraw/zinc/40/61/77/379406177.db2.gz XZYKUNWWNWNXHJ-UHFFFAOYSA-N -1 0 267.285 2.211 20 5 CEBDRM CCO/C=C/C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000492840262 380705368 /nfs/dbraw/zinc/70/53/68/380705368.db2.gz NAHZOHVWJQLUEC-ONEGZZNKSA-N -1 0 286.671 2.443 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575062409 299554173 /nfs/dbraw/zinc/55/41/73/299554173.db2.gz KIWXTRNRIHEVSM-HTQZYQBOSA-N -1 0 265.269 2.065 20 5 CEBDRM C[C@H](O)[C@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000413003500 394458044 /nfs/dbraw/zinc/45/80/44/394458044.db2.gz XDVUDGAFKYABIH-YUMQZZPRSA-N -1 0 257.311 2.303 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NCCC2CC(F)(F)C2)s1 ZINC000413336140 394529391 /nfs/dbraw/zinc/52/93/91/394529391.db2.gz MEHPFCXCVPNSPP-UHFFFAOYSA-N -1 0 263.269 2.321 20 5 CEBDRM CC(C)OCCCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000265916883 394655641 /nfs/dbraw/zinc/65/56/41/394655641.db2.gz LMAQLZVQCFXGAG-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM Cc1ncc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000356796255 394616687 /nfs/dbraw/zinc/61/66/87/394616687.db2.gz FOEUOPSXNSPUCO-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM C[C@@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])c1nn[nH]n1 ZINC000286872606 395030219 /nfs/dbraw/zinc/03/02/19/395030219.db2.gz NPBPLYJUIATPBN-ZETCQYMHSA-N -1 0 296.718 2.001 20 5 CEBDRM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000416257186 395039740 /nfs/dbraw/zinc/03/97/40/395039740.db2.gz BRJNJLFFDCHVSM-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM CO[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])CC(C)C ZINC000416259103 395040550 /nfs/dbraw/zinc/04/05/50/395040550.db2.gz GWQGPZNGORLPBU-SNVBAGLBSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436990093 395171487 /nfs/dbraw/zinc/17/14/87/395171487.db2.gz QRWIMWXSBJDKEP-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM CC[C@@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565659786 395480124 /nfs/dbraw/zinc/48/01/24/395480124.db2.gz HDAMNWCEQVQNSR-CYBMUJFWSA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119314732 296643243 /nfs/dbraw/zinc/64/32/43/296643243.db2.gz DCKSIVNASMNTLK-RKDXNWHRSA-N -1 0 264.281 2.313 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316719 296730834 /nfs/dbraw/zinc/73/08/34/296730834.db2.gz UBQLEBUVKZMCFB-BDAKNGLRSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C2CCC1CC2 ZINC000548118126 298395448 /nfs/dbraw/zinc/39/54/48/298395448.db2.gz BTZYYDXARUJHQA-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM CC(=O)c1c[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000180770695 165321982 /nfs/dbraw/zinc/32/19/82/165321982.db2.gz UACZXWZZFTTYGL-UHFFFAOYSA-N -1 0 289.247 2.083 20 5 CEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000020212994 171075299 /nfs/dbraw/zinc/07/52/99/171075299.db2.gz LJRDKQDYQKQXNC-UHFFFAOYSA-N -1 0 294.288 2.101 20 5 CEBDRM O=C([O-])C[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000038026384 174011495 /nfs/dbraw/zinc/01/14/95/174011495.db2.gz HPGKTPBLPIQREL-VIFPVBQESA-N -1 0 298.320 2.126 20 5 CEBDRM CO[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000566740123 299019581 /nfs/dbraw/zinc/01/95/81/299019581.db2.gz OHVWMQFOMZYQTK-SNVBAGLBSA-N -1 0 297.311 2.161 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000336861578 304502250 /nfs/dbraw/zinc/50/22/50/304502250.db2.gz CTJZTQCVPSYQTB-UHFFFAOYSA-N -1 0 298.298 2.499 20 5 CEBDRM CCc1onc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185750994 262308288 /nfs/dbraw/zinc/30/82/88/262308288.db2.gz DREGVUWPUBTQNF-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CN(Cc1cscn1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185442297 270245411 /nfs/dbraw/zinc/24/54/11/270245411.db2.gz DJWUWHVIGHDUNW-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(CC(F)F)C1 ZINC000425072168 271117903 /nfs/dbraw/zinc/11/79/03/271117903.db2.gz BVKWGNQPUHITCN-UHFFFAOYSA-N -1 0 286.234 2.028 20 5 CEBDRM Cc1c([N-]c2nc3sccn3c2[N+](=O)[O-])cnn1C ZINC000362562304 278607082 /nfs/dbraw/zinc/60/70/82/278607082.db2.gz XZPHRLYTNTUONE-UHFFFAOYSA-N -1 0 278.297 2.090 20 5 CEBDRM Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)o1 ZINC000023497063 279594582 /nfs/dbraw/zinc/59/45/82/279594582.db2.gz WTLCDVPSXAHBOU-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM CC(C)c1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263095213 280591262 /nfs/dbraw/zinc/59/12/62/280591262.db2.gz IHGMDTOPNWTKBA-SECBINFHSA-N -1 0 294.307 2.263 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000458115556 289878394 /nfs/dbraw/zinc/87/83/94/289878394.db2.gz OVRVMDFVBLOLCO-VHSXEESVSA-N -1 0 264.281 2.075 20 5 CEBDRM Cc1cc(=NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)[n-]nc1C ZINC000491897376 290546683 /nfs/dbraw/zinc/54/66/83/290546683.db2.gz ZMRDRCKBSYSWLD-VOTSOKGWSA-N -1 0 298.302 2.075 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000367906446 304534605 /nfs/dbraw/zinc/53/46/05/304534605.db2.gz IYAZZUTUIIWTJJ-BXKDBHETSA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000564453514 298830043 /nfs/dbraw/zinc/83/00/43/298830043.db2.gz OMRXTRSGVYTXDW-IONNQARKSA-N -1 0 299.714 2.190 20 5 CEBDRM C[C@H]1CCSCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000190041952 300027120 /nfs/dbraw/zinc/02/71/20/300027120.db2.gz MJMPRPXUEJOQKZ-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000272403047 300188876 /nfs/dbraw/zinc/18/88/76/300188876.db2.gz NGDYJLLJMPERIA-IUCAKERBSA-N -1 0 264.281 2.028 20 5 CEBDRM Cc1cc(N[C@H](CC(C)C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000092026401 301365032 /nfs/dbraw/zinc/36/50/32/301365032.db2.gz PHQZZROCGBVXJT-SECBINFHSA-N -1 0 267.285 2.209 20 5 CEBDRM Cc1ccncc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000545950425 313498662 /nfs/dbraw/zinc/49/86/62/313498662.db2.gz NWMWUBLKBKZSLC-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM CC[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC ZINC000565036044 313791831 /nfs/dbraw/zinc/79/18/31/313791831.db2.gz RNGBEWDQUNDKKC-JTQLQIEISA-N -1 0 282.296 2.059 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000567865818 313912683 /nfs/dbraw/zinc/91/26/83/313912683.db2.gz GICHVGXAPGBUSY-KCJUWKMLSA-N -1 0 293.323 2.154 20 5 CEBDRM Cc1cc(NCC2(CCO)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571807068 314107302 /nfs/dbraw/zinc/10/73/02/314107302.db2.gz UDUYKWHTNSFQPC-UHFFFAOYSA-N -1 0 294.307 2.176 20 5 CEBDRM Cc1cc(N2CCCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580895023 322352679 /nfs/dbraw/zinc/35/26/79/322352679.db2.gz OIOILAPGNUEIMF-UHFFFAOYSA-N -1 0 250.254 2.202 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000020006427 329074539 /nfs/dbraw/zinc/07/45/39/329074539.db2.gz GDBKGTBXFYJYQX-KCJUWKMLSA-N -1 0 295.295 2.216 20 5 CEBDRM CC(C)CSCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000397179885 329346117 /nfs/dbraw/zinc/34/61/17/329346117.db2.gz ISWLQWAWHHCGCG-UHFFFAOYSA-N -1 0 299.352 2.489 20 5 CEBDRM Cn1nc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cc1C1CC1 ZINC000357622809 534666892 /nfs/dbraw/zinc/66/68/92/534666892.db2.gz PBSWYQGJPCNSAG-UHFFFAOYSA-N -1 0 293.714 2.420 20 5 CEBDRM CSC[C@@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183906932 525614845 /nfs/dbraw/zinc/61/48/45/525614845.db2.gz XAKVVKHFLLSSCW-SSDOTTSWSA-N -1 0 270.310 2.238 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182032127 526882627 /nfs/dbraw/zinc/88/26/27/526882627.db2.gz YBZVTGSWBIOWTA-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM O=C([O-])N1CC(Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740488193 574466159 /nfs/dbraw/zinc/46/61/59/574466159.db2.gz ABSKLVXYYVWGBD-UHFFFAOYSA-N -1 0 271.660 2.022 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000739598114 574489958 /nfs/dbraw/zinc/48/99/58/574489958.db2.gz RQAOCFRVBQFKCO-ZETCQYMHSA-N -1 0 293.304 2.115 20 5 CEBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)CO ZINC000736607645 574793383 /nfs/dbraw/zinc/79/33/83/574793383.db2.gz YEJNLFBOOWBQRL-NEPGKVPFSA-N -1 0 294.307 2.121 20 5 CEBDRM C[C@H](CO)[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736607646 574793410 /nfs/dbraw/zinc/79/34/10/574793410.db2.gz YEJNLFBOOWBQRL-ZUJXDTADSA-N -1 0 294.307 2.121 20 5 CEBDRM Cc1c(NC(=O)[C@@H](NC(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000738298330 574857229 /nfs/dbraw/zinc/85/72/29/574857229.db2.gz AQEYGMFMKWLYOA-NSHDSACASA-N -1 0 295.295 2.134 20 5 CEBDRM Cc1noc([C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000738942244 574886426 /nfs/dbraw/zinc/88/64/26/574886426.db2.gz YSMSMOIHSQQCHR-ZCFIWIBFSA-N -1 0 293.235 2.124 20 5 CEBDRM C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739192416 574898799 /nfs/dbraw/zinc/89/87/99/574898799.db2.gz KBQCSKIRSAOHQP-PSASIEDQSA-N -1 0 297.286 2.216 20 5 CEBDRM C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739198177 574899080 /nfs/dbraw/zinc/89/90/80/574899080.db2.gz LCOOTMZOFGSTLT-JGVFFNPUSA-N -1 0 285.325 2.139 20 5 CEBDRM CN(C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739663951 574930418 /nfs/dbraw/zinc/93/04/18/574930418.db2.gz DGXIIFLHZUKVNQ-VIFPVBQESA-N -1 0 299.352 2.088 20 5 CEBDRM O=C([O-])c1ccc2c(c1)CN(c1cccnc1[N+](=O)[O-])C2 ZINC000740202460 574947952 /nfs/dbraw/zinc/94/79/52/574947952.db2.gz HWLUSZMNFNMRJC-UHFFFAOYSA-N -1 0 285.259 2.208 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C(=O)[O-])C1 ZINC000740175901 574946696 /nfs/dbraw/zinc/94/66/96/574946696.db2.gz UXSPIYJGAFHFSV-SECBINFHSA-N -1 0 265.269 2.067 20 5 CEBDRM O=C([O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740505927 574956906 /nfs/dbraw/zinc/95/69/06/574956906.db2.gz GROBUTOHSKPOQI-ZETCQYMHSA-N -1 0 285.687 2.412 20 5 CEBDRM O=C([O-])N1CCC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000740516414 574957244 /nfs/dbraw/zinc/95/72/44/574957244.db2.gz XRZPKDDBPBXBEC-QMMMGPOBSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C([O-])Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000740715357 574966094 /nfs/dbraw/zinc/96/60/94/574966094.db2.gz KCBJYXAFGSNACB-UHFFFAOYSA-N -1 0 290.235 2.265 20 5 CEBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(F)(F)F ZINC000744336189 575119050 /nfs/dbraw/zinc/11/90/50/575119050.db2.gz MXCAOHQEOGPZGL-BYPYZUCNSA-N -1 0 252.148 2.031 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000050195961 596944774 /nfs/dbraw/zinc/94/47/74/596944774.db2.gz HTISJAMRTBLLEG-UHFFFAOYSA-N -1 0 295.295 2.360 20 5 CEBDRM Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000163369722 600252316 /nfs/dbraw/zinc/25/23/16/600252316.db2.gz SNLVMBOGCJNMQQ-UHFFFAOYSA-N -1 0 295.276 2.243 20 5 CEBDRM CCSCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000228643037 600519261 /nfs/dbraw/zinc/51/92/61/600519261.db2.gz HJFFZJNMJOMGKC-UHFFFAOYSA-N -1 0 271.294 2.425 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000833181422 600868811 /nfs/dbraw/zinc/86/88/11/600868811.db2.gz OJHWMAGAMOKZAB-IUCAKERBSA-N -1 0 299.666 2.012 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000119543735 601470524 /nfs/dbraw/zinc/47/05/24/601470524.db2.gz FGZXYBXRJFNWGK-NSHDSACASA-N -1 0 286.309 2.030 20 5 CEBDRM CC[C@H](C)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828747437 601602539 /nfs/dbraw/zinc/60/25/39/601602539.db2.gz OBSOXYLCMSHARF-QMMMGPOBSA-N -1 0 281.264 2.496 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832874926 602067570 /nfs/dbraw/zinc/06/75/70/602067570.db2.gz QBJWRUZDZIYGFU-VIFPVBQESA-N -1 0 280.280 2.261 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NCC[C@@H](C)NC(=O)[O-])c1 ZINC000829510599 603182366 /nfs/dbraw/zinc/18/23/66/603182366.db2.gz LIPMUYYRWGKTKF-MRVPVSSYSA-N -1 0 283.284 2.062 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000829510355 603191581 /nfs/dbraw/zinc/19/15/81/603191581.db2.gz GXGTWVWHPSDCTD-NSHDSACASA-N -1 0 297.311 2.308 20 5 CEBDRM CN(C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000828236488 603202896 /nfs/dbraw/zinc/20/28/96/603202896.db2.gz RDEZHOKGRGBNJM-JTQLQIEISA-N -1 0 279.296 2.173 20 5 CEBDRM Cc1cnc(N[C@@H]2CCCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830634543 603207425 /nfs/dbraw/zinc/20/74/25/603207425.db2.gz YNUPWVOVTIMOLL-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM Cc1cnc(N[C@@H](CNC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC000830633872 603207498 /nfs/dbraw/zinc/20/74/98/603207498.db2.gz BVARUWLFKRICFV-SNVBAGLBSA-N -1 0 296.327 2.392 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[C@@H]1NC(=O)[O-] ZINC000739196943 603404574 /nfs/dbraw/zinc/40/45/74/603404574.db2.gz WTDPZTUXJBCZRS-KWQFWETISA-N -1 0 297.286 2.216 20 5 CEBDRM Cc1ccc(N[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830395888 603445456 /nfs/dbraw/zinc/44/54/56/603445456.db2.gz MXLNTMIMQWEETL-SECBINFHSA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000830427628 603552797 /nfs/dbraw/zinc/55/27/97/603552797.db2.gz LHAZFYULALRTON-VIFPVBQESA-N -1 0 265.269 2.067 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NC(=O)[O-])C1 ZINC000830138134 604216812 /nfs/dbraw/zinc/21/68/12/604216812.db2.gz LNIMJQPNKZYTSG-SNVBAGLBSA-N -1 0 279.296 2.140 20 5 CEBDRM CCOc1cc(N(C)CCCNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000827418394 604218292 /nfs/dbraw/zinc/21/82/92/604218292.db2.gz OCHLNUKUFRCTPY-UHFFFAOYSA-N -1 0 297.311 2.087 20 5 CEBDRM C/C(=C\COc1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000088629799 604528507 /nfs/dbraw/zinc/52/85/07/604528507.db2.gz LZQWRQUPPZLZHL-RMKNXTFCSA-N -1 0 251.238 2.313 20 5 CEBDRM CCOc1cc(N[C@@H](C)CCNC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833861353 605400641 /nfs/dbraw/zinc/40/06/41/605400641.db2.gz JSYPPDWOXQZAFA-VIFPVBQESA-N -1 0 297.311 2.452 20 5 CEBDRM O=C([O-])N1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000834111520 605755614 /nfs/dbraw/zinc/75/56/14/605755614.db2.gz IBDRLINKCMQRNE-UHFFFAOYSA-N -1 0 288.263 2.248 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000834216209 605948751 /nfs/dbraw/zinc/94/87/51/605948751.db2.gz QVDFKVGXCKXLOY-QMMMGPOBSA-N -1 0 285.325 2.140 20 5 CEBDRM C[C@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000833828504 606038598 /nfs/dbraw/zinc/03/85/98/606038598.db2.gz OMLFIBKVRXLOSX-IUCAKERBSA-N -1 0 299.352 2.229 20 5 CEBDRM CC[C@H](C)CONC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000816980994 633574810 /nfs/dbraw/zinc/57/48/10/633574810.db2.gz XQYSURSDJIOXQX-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM O=C([O-])c1ccc(-c2cn3c(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000901000706 633927210 /nfs/dbraw/zinc/92/72/10/633927210.db2.gz KJALITUUZBEYNN-UHFFFAOYSA-N -1 0 287.275 2.493 20 5 CEBDRM O=[N+]([O-])c1c(F)cccc1[N-]S(=O)(=O)CCCCF ZINC000903168476 635003286 /nfs/dbraw/zinc/00/32/86/635003286.db2.gz KKGNTHCRKBWDCA-UHFFFAOYSA-N -1 0 294.279 2.225 20 5 CEBDRM O=[N+]([O-])c1c(F)cccc1[N-]S(=O)(=O)CCC1CC1 ZINC000903168781 635004282 /nfs/dbraw/zinc/00/42/82/635004282.db2.gz PUZBJBXSMMTLKG-UHFFFAOYSA-N -1 0 288.300 2.276 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000828634523 636646952 /nfs/dbraw/zinc/64/69/52/636646952.db2.gz QWDWWNICUYUTDN-CYBMUJFWSA-N -1 0 298.270 2.107 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H]3CCC[C@@H]32)n1 ZINC000910389280 638034502 /nfs/dbraw/zinc/03/45/02/638034502.db2.gz UGEZZPWCYJQUFG-ONGXEEELSA-N -1 0 291.307 2.375 20 5 CEBDRM O=C(CC1CCOCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837529080 639268469 /nfs/dbraw/zinc/26/84/69/639268469.db2.gz IARSULZMOXCPDJ-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM CC(C)C[C@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844207723 640631787 /nfs/dbraw/zinc/63/17/87/640631787.db2.gz DFHGQUGGAQJSTM-NSHDSACASA-N -1 0 296.323 2.041 20 5 CEBDRM C[C@@H]1C[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000844206906 640632138 /nfs/dbraw/zinc/63/21/38/640632138.db2.gz OHMXHTNQZZJTST-VVCGMDSISA-N -1 0 292.291 2.282 20 5 CEBDRM COC[C@H](C)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207484 640632328 /nfs/dbraw/zinc/63/23/28/640632328.db2.gz KKKVELKKYSKADY-AYYIZTPMSA-N -1 0 294.307 2.387 20 5 CEBDRM C[C@H](Cc1ccco1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000755009979 644460656 /nfs/dbraw/zinc/46/06/56/644460656.db2.gz FCIDMKYGFXAXHR-SECBINFHSA-N -1 0 290.275 2.254 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc[nH]1 ZINC000773522628 646751719 /nfs/dbraw/zinc/75/17/19/646751719.db2.gz FYSHILNFQWTFGX-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(NCCC1CCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780630797 647453248 /nfs/dbraw/zinc/45/32/48/647453248.db2.gz QHGTXNQBKDDKGD-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C(C)(C)O1 ZINC000783151362 647683318 /nfs/dbraw/zinc/68/33/18/647683318.db2.gz CCWKEHUUCURACM-SECBINFHSA-N -1 0 282.296 2.426 20 5 CEBDRM COc1cc(NC[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000213808052 652317544 /nfs/dbraw/zinc/31/75/44/652317544.db2.gz GVPLOERDGDGEHD-MRVPVSSYSA-N -1 0 298.295 2.135 20 5 CEBDRM O=C([O-])c1ccc(NCc2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC001168304400 806639980 /nfs/dbraw/zinc/63/99/80/806639980.db2.gz AEYCRKSAYOWGOF-UHFFFAOYSA-N -1 0 289.247 2.006 20 5 CEBDRM O=C(NCC[C@@H]1CCSC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000704787465 809752081 /nfs/dbraw/zinc/75/20/81/809752081.db2.gz XXXFEYHPUBRJQH-SECBINFHSA-N -1 0 296.348 2.173 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000300488416 804742546 /nfs/dbraw/zinc/74/25/46/804742546.db2.gz QDNCDGBWKIYQOT-MRVPVSSYSA-N -1 0 299.714 2.477 20 5 CEBDRM O=[N+]([O-])C[C@@H](Oc1c(F)c(F)c([O-])c(F)c1F)C1CC1 ZINC001225883502 805363073 /nfs/dbraw/zinc/36/30/73/805363073.db2.gz CFMWCRFOWTUQTD-RXMQYKEDSA-N -1 0 295.188 2.383 20 5 CEBDRM CC1(C)C[C@H](CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)O1 ZINC001168459605 807615368 /nfs/dbraw/zinc/61/53/68/807615368.db2.gz GFRSILINKHTCGT-SECBINFHSA-N -1 0 280.280 2.272 20 5 CEBDRM Cc1ncc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000443452420 807654187 /nfs/dbraw/zinc/65/41/87/807654187.db2.gz HTKPAUGBOMMMLT-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])c1cccnc1 ZINC001231070814 810585086 /nfs/dbraw/zinc/58/50/86/810585086.db2.gz XMPMMLAJBMEQAY-ZCFIWIBFSA-N -1 0 296.670 2.279 20 5 CEBDRM CSC[C@H]1CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000400000690 813727740 /nfs/dbraw/zinc/72/77/40/813727740.db2.gz NOGUQYYFHRPKSL-MRVPVSSYSA-N -1 0 297.336 2.020 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnc3ccnn3c2)cc1[N+](=O)[O-] ZINC001174503051 816028795 /nfs/dbraw/zinc/02/87/95/816028795.db2.gz AIBHANZZKYNYSE-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM COc1ncccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502633 816028886 /nfs/dbraw/zinc/02/88/86/816028886.db2.gz VVLYYCNIUFQKDB-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM Cc1cnn(C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503372 816030270 /nfs/dbraw/zinc/03/02/70/816030270.db2.gz MEWWEVWVGLBMKH-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM CCn1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504240 816030398 /nfs/dbraw/zinc/03/03/98/816030398.db2.gz ZREDJFPSVWGIII-UHFFFAOYSA-N -1 0 276.252 2.253 20 5 CEBDRM Nc1cncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174503601 816030587 /nfs/dbraw/zinc/03/05/87/816030587.db2.gz SFPCSHYRMHPCSX-UHFFFAOYSA-N -1 0 274.236 2.014 20 5 CEBDRM O=C([O-])c1cc(Nc2nccn3ccnc23)cc([N+](=O)[O-])c1 ZINC001176672966 816452261 /nfs/dbraw/zinc/45/22/61/816452261.db2.gz QFIXKZFCCCOPNV-UHFFFAOYSA-N -1 0 299.246 2.079 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001142123536 816623104 /nfs/dbraw/zinc/62/31/04/816623104.db2.gz VWMUXKVTZNAFBE-GHMZBOCLSA-N -1 0 288.259 2.179 20 5 CEBDRM Cc1cc(C(=O)N(CCC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000037584943 361906129 /nfs/dbraw/zinc/90/61/29/361906129.db2.gz XSAQEGVJHXIGLE-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM COc1cc(N2CCC(C(=O)[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC000227855099 136388496 /nfs/dbraw/zinc/38/84/96/136388496.db2.gz GTPJTLMTPFPAEE-UHFFFAOYSA-N -1 0 298.270 2.044 20 5 CEBDRM O=C([O-])CC[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000043584826 343465214 /nfs/dbraw/zinc/46/52/14/343465214.db2.gz XJNGTGDHMBCDKZ-SNVBAGLBSA-N -1 0 279.296 2.071 20 5 CEBDRM CC[C@@H]1C[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000567976154 299103274 /nfs/dbraw/zinc/10/32/74/299103274.db2.gz IBMCOAWWZAFSGS-DTWKUNHWSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@@H](F)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567984709 299105087 /nfs/dbraw/zinc/10/50/87/299105087.db2.gz ZITGOBFIYRLKNZ-MRVPVSSYSA-N -1 0 270.260 2.382 20 5 CEBDRM Cc1oncc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000132599326 344364495 /nfs/dbraw/zinc/36/44/95/344364495.db2.gz BHNNYFUYDWXHJZ-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCC(F)(F)F)n1 ZINC000166759920 344476843 /nfs/dbraw/zinc/47/68/43/344476843.db2.gz SCAHOLPECYURDQ-UHFFFAOYSA-N -1 0 279.174 2.052 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000403624527 344876197 /nfs/dbraw/zinc/87/61/97/344876197.db2.gz LPZZWJCZZOPSHK-LPEHRKFASA-N -1 0 276.292 2.219 20 5 CEBDRM Cn1nc([N-]c2sccc2[N+](=O)[O-])cc1C1CC1 ZINC000589603914 345088929 /nfs/dbraw/zinc/08/89/29/345088929.db2.gz JXPKDGVYVJSFKK-UHFFFAOYSA-N -1 0 264.310 2.433 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000592421444 345351371 /nfs/dbraw/zinc/35/13/71/345351371.db2.gz TXUIBYSGFKZFCQ-RQJHMYQMSA-N -1 0 256.283 2.322 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H](C)C2)n1 ZINC000592964002 345416535 /nfs/dbraw/zinc/41/65/35/345416535.db2.gz KYWDQSKKGVSZAZ-QMMMGPOBSA-N -1 0 279.296 2.233 20 5 CEBDRM O=C(NC[C@@H]1CC12CC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592808059 345398904 /nfs/dbraw/zinc/39/89/04/345398904.db2.gz KOUHDCDLSRXAMK-ZETCQYMHSA-N -1 0 296.710 2.484 20 5 CEBDRM CC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC=CC1 ZINC000594382893 345619163 /nfs/dbraw/zinc/61/91/63/345619163.db2.gz SBBWXFGITYLTAR-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])sn1 ZINC000155949343 232234486 /nfs/dbraw/zinc/23/44/86/232234486.db2.gz RSVAHNOOPYPZIK-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CCOC1CC(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339197917 215008883 /nfs/dbraw/zinc/00/88/83/215008883.db2.gz GDHNGCNJTCZDQT-UHFFFAOYSA-N -1 0 280.324 2.300 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598189611 346302537 /nfs/dbraw/zinc/30/25/37/346302537.db2.gz DPACWKZDKKNCBS-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)(CC(=O)[O-])CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000061827471 362689717 /nfs/dbraw/zinc/68/97/17/362689717.db2.gz PWWUWLKJNDJJKV-UHFFFAOYSA-N -1 0 294.307 2.102 20 5 CEBDRM CC1(C)CC(NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000598504225 346367128 /nfs/dbraw/zinc/36/71/28/346367128.db2.gz IHDVCTMHCXARLT-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@@]1(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598385428 346343540 /nfs/dbraw/zinc/34/35/40/346343540.db2.gz IKPINMIIHPXZTN-CYBMUJFWSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598387981 346344176 /nfs/dbraw/zinc/34/41/76/346344176.db2.gz WBMRIMWCJVERIM-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM CO[C@H]1C[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000600678328 346671882 /nfs/dbraw/zinc/67/18/82/346671882.db2.gz JAOUTRNEHQSVTL-MGCOHNPYSA-N -1 0 280.280 2.191 20 5 CEBDRM CO[C@H]1C[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000600678912 346672070 /nfs/dbraw/zinc/67/20/70/346672070.db2.gz PLDXPKBJPZIXCW-WAAGHKOSSA-N -1 0 280.280 2.130 20 5 CEBDRM CCC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000600379864 346637206 /nfs/dbraw/zinc/63/72/06/346637206.db2.gz JLPGWOOAMKUCSR-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM C[C@@H](CSc1nc2sccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000086111132 179232831 /nfs/dbraw/zinc/23/28/31/179232831.db2.gz GTDIPHZLLLTRMK-YFKPBYRVSA-N -1 0 287.322 2.117 20 5 CEBDRM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000611535792 347792471 /nfs/dbraw/zinc/79/24/71/347792471.db2.gz CBEDFYANVBSXIA-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(Nc1ccn2ccnc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000619578099 349202175 /nfs/dbraw/zinc/20/21/75/349202175.db2.gz GCCCJJJNXVLTFP-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000092090944 180322271 /nfs/dbraw/zinc/32/22/71/180322271.db2.gz DZOBVJBCORSKPX-RKDXNWHRSA-N -1 0 264.281 2.385 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H]1C1CC1 ZINC000092546616 180404002 /nfs/dbraw/zinc/40/40/02/180404002.db2.gz OAOXXOUKPBRZCP-ZJUUUORDSA-N -1 0 262.265 2.285 20 5 CEBDRM C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000111253579 186378595 /nfs/dbraw/zinc/37/85/95/186378595.db2.gz JJHFKOKVJOTQLQ-APPZFPTMSA-N -1 0 284.699 2.405 20 5 CEBDRM COCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000070084556 363031893 /nfs/dbraw/zinc/03/18/93/363031893.db2.gz OHZONAIHYBBZKU-UHFFFAOYSA-N -1 0 294.307 2.156 20 5 CEBDRM CCC1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000119144966 186805164 /nfs/dbraw/zinc/80/51/64/186805164.db2.gz HHDCYSZAVZDSNI-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000578801740 366550157 /nfs/dbraw/zinc/55/01/57/366550157.db2.gz TWNLVVONTDMPSF-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1sc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000237695995 370745493 /nfs/dbraw/zinc/74/54/93/370745493.db2.gz PEWWXNNDNLBTGV-QMMMGPOBSA-N -1 0 298.320 2.044 20 5 CEBDRM O=C([O-])CC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000093682455 364214857 /nfs/dbraw/zinc/21/48/57/364214857.db2.gz ZGEZZZURZQLYJY-UHFFFAOYSA-N -1 0 284.337 2.343 20 5 CEBDRM CCC(CC)(NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000094240478 364262713 /nfs/dbraw/zinc/26/27/13/364262713.db2.gz WVHPCIILUXGWPW-UHFFFAOYSA-N -1 0 295.295 2.360 20 5 CEBDRM Cc1cc(NC2(CC(=O)[O-])CCC2)ncc1[N+](=O)[O-] ZINC000094291312 364264780 /nfs/dbraw/zinc/26/47/80/364264780.db2.gz QKSFZUZAPPRFRI-UHFFFAOYSA-N -1 0 265.269 2.108 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000263440422 304115479 /nfs/dbraw/zinc/11/54/79/304115479.db2.gz WUVJVDOOFYCVPF-NSHDSACASA-N -1 0 287.275 2.196 20 5 CEBDRM C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCCS1 ZINC000159445302 366912959 /nfs/dbraw/zinc/91/29/59/366912959.db2.gz FQMUQHSGVLVSKM-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CCSCC2)n1 ZINC000166862607 367330263 /nfs/dbraw/zinc/33/02/63/367330263.db2.gz XILIZOGBLHVVOX-UHFFFAOYSA-N -1 0 297.336 2.243 20 5 CEBDRM COCCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000166094470 367318249 /nfs/dbraw/zinc/31/82/49/367318249.db2.gz NRZBXZPWJFQEPE-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM CC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000343870788 368051011 /nfs/dbraw/zinc/05/10/11/368051011.db2.gz CWWGWKUXMGEQFF-UHFFFAOYSA-N -1 0 289.247 2.083 20 5 CEBDRM CCc1nc(C)c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000346335138 368640936 /nfs/dbraw/zinc/64/09/36/368640936.db2.gz YILBFYODKNSASH-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000185174965 368760085 /nfs/dbraw/zinc/76/00/85/368760085.db2.gz MOHOKQZOOBRKTA-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350650119 369562060 /nfs/dbraw/zinc/56/20/60/369562060.db2.gz KZBFCAPCVSTESZ-HTRCEHHLSA-N -1 0 261.237 2.474 20 5 CEBDRM O=C(NCc1ccccc1F)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561955 370591903 /nfs/dbraw/zinc/59/19/03/370591903.db2.gz QHWQHVFWTUOPFM-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000358924592 371268546 /nfs/dbraw/zinc/26/85/46/371268546.db2.gz COPUAZQQVFBUKD-LURJTMIESA-N -1 0 292.213 2.229 20 5 CEBDRM CC[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000361660444 372009844 /nfs/dbraw/zinc/00/98/44/372009844.db2.gz KMEOAKGNVLPJLH-BXKDBHETSA-N -1 0 280.280 2.197 20 5 CEBDRM O=C(NC(C1CC1)C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269108469 372344197 /nfs/dbraw/zinc/34/41/97/372344197.db2.gz CJVSVRPQEHVWLW-UHFFFAOYSA-N -1 0 276.292 2.219 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000365764915 372928901 /nfs/dbraw/zinc/92/89/01/372928901.db2.gz RRBVUPAENXQMMC-MWLCHTKSSA-N -1 0 276.292 2.315 20 5 CEBDRM COC(C)(C)C[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272511236 373526020 /nfs/dbraw/zinc/52/60/20/373526020.db2.gz JZPLLZHTYASBBI-SECBINFHSA-N -1 0 296.323 2.234 20 5 CEBDRM CCC1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272659116 373604342 /nfs/dbraw/zinc/60/43/42/373604342.db2.gz HAQNTYSKZHTMID-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CCC1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCC1 ZINC000274720339 374025072 /nfs/dbraw/zinc/02/50/72/374025072.db2.gz UMDHXQKPOWJOCU-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277827110 374659484 /nfs/dbraw/zinc/65/94/84/374659484.db2.gz XDRJOBLCXGOWNU-ZWNOBZJWSA-N -1 0 294.307 2.300 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1C1CC1 ZINC000377541081 374877812 /nfs/dbraw/zinc/87/78/12/374877812.db2.gz CETYIOWJUUDCKS-LLVKDONJSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000019386915 304188278 /nfs/dbraw/zinc/18/82/78/304188278.db2.gz UNZROBJBHGVYMC-SECBINFHSA-N -1 0 270.672 2.302 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NC[C@H]3CC34CC4)[n-]2)cc1 ZINC000418999690 376376096 /nfs/dbraw/zinc/37/60/96/376376096.db2.gz XDPPLGQSOSYCJP-SNVBAGLBSA-N -1 0 286.291 2.279 20 5 CEBDRM CC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000563208642 377126058 /nfs/dbraw/zinc/12/60/58/377126058.db2.gz ZFWXNWVODLGQIO-ZDUSSCGKSA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000330609227 377197914 /nfs/dbraw/zinc/19/79/14/377197914.db2.gz NOQMVINCVKDKKF-JTQLQIEISA-N -1 0 280.324 2.300 20 5 CEBDRM O=C([O-])CCSc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000565038136 377539733 /nfs/dbraw/zinc/53/97/33/377539733.db2.gz KNCYAYYDOFWBHG-UHFFFAOYSA-N -1 0 268.294 2.130 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccn1 ZINC000184909470 249334085 /nfs/dbraw/zinc/33/40/85/249334085.db2.gz FERXGJSSHDUVRL-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)C1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000293988535 377859506 /nfs/dbraw/zinc/85/95/06/377859506.db2.gz SGZSPKASIKBOJI-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000295477945 378176155 /nfs/dbraw/zinc/17/61/55/378176155.db2.gz IJDCVMCZKHDAFE-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C)S1 ZINC000543735781 380342005 /nfs/dbraw/zinc/34/20/05/380342005.db2.gz DGTIIBLVSCRGRV-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000288150890 197015005 /nfs/dbraw/zinc/01/50/05/197015005.db2.gz XWZIHKOEDQCJOA-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000228637559 394475647 /nfs/dbraw/zinc/47/56/47/394475647.db2.gz DHGBHLYETHDJBW-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1C(=O)[O-] ZINC000044749898 394508162 /nfs/dbraw/zinc/50/81/62/394508162.db2.gz LJVZFUTVLGGPNE-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000356702589 394590826 /nfs/dbraw/zinc/59/08/26/394590826.db2.gz RBILJSVTXFGZBH-PRHODGIISA-N -1 0 282.296 2.300 20 5 CEBDRM O=C(N[C@H]1C=CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356799606 394617723 /nfs/dbraw/zinc/61/77/23/394617723.db2.gz HBDPDLGLAQNSIC-JTQLQIEISA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@H](CC(=O)[O-])Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000416426310 395061390 /nfs/dbraw/zinc/06/13/90/395061390.db2.gz LSOAOEBQWQNEED-ZCFIWIBFSA-N -1 0 290.222 2.471 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000436832598 395159067 /nfs/dbraw/zinc/15/90/67/395159067.db2.gz SRTYRWJSZYNQSA-CABZTGNLSA-N -1 0 276.292 2.315 20 5 CEBDRM CCC(CC)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436873191 395159960 /nfs/dbraw/zinc/15/99/60/395159960.db2.gz OTQXHIKOPZBXKF-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1ncsc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436977130 395169907 /nfs/dbraw/zinc/16/99/07/395169907.db2.gz QOBDJRGNIHFTSF-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cc(NC[C@H](C)CCCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568635272 395563877 /nfs/dbraw/zinc/56/38/77/395563877.db2.gz XDTWPYSYWSTZDB-SECBINFHSA-N -1 0 296.323 2.422 20 5 CEBDRM Cc1cc(N(C)C[C@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568751440 395569644 /nfs/dbraw/zinc/56/96/44/395569644.db2.gz CGBJAYZSWRGPCK-SNVBAGLBSA-N -1 0 294.307 2.074 20 5 CEBDRM Cc1cc(N2CCO[C@H](C)[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578239910 395664990 /nfs/dbraw/zinc/66/49/90/395664990.db2.gz YRYLNSDAMYKGDS-VHSXEESVSA-N -1 0 294.307 2.215 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1C ZINC000177142299 296540736 /nfs/dbraw/zinc/54/07/36/296540736.db2.gz JOBAHPSLBXQCQP-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000177142333 296540807 /nfs/dbraw/zinc/54/08/07/296540807.db2.gz JOBAHPSLBXQCQP-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)o1 ZINC000360480643 155309648 /nfs/dbraw/zinc/30/96/48/155309648.db2.gz BAFXTNSNQFFLMP-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(=O)c1ccc(N[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000262193366 153924774 /nfs/dbraw/zinc/92/47/74/153924774.db2.gz ZBCVWAGJAHDWPT-LBPRGKRZSA-N -1 0 280.280 2.319 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](C2CC2)C1 ZINC000374784705 157015607 /nfs/dbraw/zinc/01/56/07/157015607.db2.gz UIINONUOVOTTSK-JTQLQIEISA-N -1 0 276.292 2.173 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000038026383 174011608 /nfs/dbraw/zinc/01/16/08/174011608.db2.gz HPGKTPBLPIQREL-SECBINFHSA-N -1 0 298.320 2.126 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1F ZINC000042162176 174644853 /nfs/dbraw/zinc/64/48/53/174644853.db2.gz HICRVHPNXQAOEF-MRVPVSSYSA-N -1 0 268.244 2.177 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000078838885 177397160 /nfs/dbraw/zinc/39/71/60/177397160.db2.gz KNMYJZPYGNIVMK-UHFFFAOYSA-N -1 0 280.280 2.343 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000179543139 304505002 /nfs/dbraw/zinc/50/50/02/304505002.db2.gz UWGGIOMFLLCLOX-AOOOYVTPSA-N -1 0 276.292 2.173 20 5 CEBDRM CC[C@H](C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000394337430 260698050 /nfs/dbraw/zinc/69/80/50/260698050.db2.gz ZBOJHHZKVFHQTA-KWQFWETISA-N -1 0 297.311 2.161 20 5 CEBDRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000397160064 270351186 /nfs/dbraw/zinc/35/11/86/270351186.db2.gz SGEWXRNGEQZFCY-JSGCOSHPSA-N -1 0 278.308 2.465 20 5 CEBDRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000397160062 270351703 /nfs/dbraw/zinc/35/17/03/270351703.db2.gz SGEWXRNGEQZFCY-GXTWGEPZSA-N -1 0 278.308 2.465 20 5 CEBDRM Cc1nc(=NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)s[n-]1 ZINC000421506544 270633069 /nfs/dbraw/zinc/63/30/69/270633069.db2.gz POVWXYKSAKRXBW-UHFFFAOYSA-N -1 0 292.320 2.046 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965976 271697612 /nfs/dbraw/zinc/69/76/12/271697612.db2.gz VCHVFQJUSRIAJT-JTQLQIEISA-N -1 0 264.281 2.315 20 5 CEBDRM CCc1noc(C)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356712074 280642997 /nfs/dbraw/zinc/64/29/97/280642997.db2.gz CBOATXDFJCUFEK-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM C[C@@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397990683 280689106 /nfs/dbraw/zinc/68/91/06/280689106.db2.gz WUBUGKJNRJHDLZ-XCBNKYQSSA-N -1 0 282.321 2.456 20 5 CEBDRM C[C@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCCO1 ZINC000457721965 289817445 /nfs/dbraw/zinc/81/74/45/289817445.db2.gz WWAQVXBBGIDMRF-CYBMUJFWSA-N -1 0 280.280 2.198 20 5 CEBDRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458112650 289878004 /nfs/dbraw/zinc/87/80/04/289878004.db2.gz HCKSYYLQJPRHHA-JSGCOSHPSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184581479 297226020 /nfs/dbraw/zinc/22/60/20/297226020.db2.gz RTLQCGMVRKLWBQ-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000165679108 297463360 /nfs/dbraw/zinc/46/33/60/297463360.db2.gz BPTNVQVUCYDPQJ-UHFFFAOYSA-N -1 0 279.296 2.437 20 5 CEBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000166291316 297464806 /nfs/dbraw/zinc/46/48/06/297464806.db2.gz SMKUJYVBKCZMGV-BDAKNGLRSA-N -1 0 280.280 2.130 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-] ZINC000560384858 298645978 /nfs/dbraw/zinc/64/59/78/298645978.db2.gz UPKKGPLHQVAYOZ-UHFFFAOYSA-N -1 0 269.278 2.364 20 5 CEBDRM COCC[C@@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565308877 298894390 /nfs/dbraw/zinc/89/43/90/298894390.db2.gz YWIMKLPCTMVVNE-SNVBAGLBSA-N -1 0 296.323 2.306 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC[C@@H]1C ZINC000185875031 300194693 /nfs/dbraw/zinc/19/46/93/300194693.db2.gz VYNJQTOUQQGCEL-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000408412572 300486189 /nfs/dbraw/zinc/48/61/89/300486189.db2.gz CBRVKYCZONLUOS-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263245157 301855314 /nfs/dbraw/zinc/85/53/14/301855314.db2.gz SDVSDZKWLXJKMI-QWRGUYRKSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H](CCO)CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000514675653 313052799 /nfs/dbraw/zinc/05/27/99/313052799.db2.gz UVFVKLOQUHMWCT-SNVBAGLBSA-N -1 0 296.323 2.042 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2csc([N+](=O)[O-])c2)ncn1 ZINC000532803499 313359059 /nfs/dbraw/zinc/35/90/59/313359059.db2.gz ZPRSUQPNPNFZDP-UPHRSURJSA-N -1 0 277.261 2.315 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000532803294 313359248 /nfs/dbraw/zinc/35/92/48/313359248.db2.gz VUOJQOGDLRUCRD-DAFODLJHSA-N -1 0 271.232 2.253 20 5 CEBDRM CC1=C[C@H](C)CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000568634746 313963481 /nfs/dbraw/zinc/96/34/81/313963481.db2.gz RXGQCWBQMZMMNZ-QMMMGPOBSA-N -1 0 277.280 2.090 20 5 CEBDRM O=C([O-])c1cc(N2CCC[C@@H]2CF)ccc1[N+](=O)[O-] ZINC000573004094 314135232 /nfs/dbraw/zinc/13/52/32/314135232.db2.gz MZMDZWZYXYLVHQ-SECBINFHSA-N -1 0 268.244 2.231 20 5 CEBDRM O=C(Nc1nccs1)c1cccc([O-])c1[N+](=O)[O-] ZINC000357348998 534475786 /nfs/dbraw/zinc/47/57/86/534475786.db2.gz HZQBFCJEHSWIDB-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM COc1ccc([N+](=O)[O-])cc1OCc1cc(C(=O)[O-])co1 ZINC000051329365 525473037 /nfs/dbraw/zinc/47/30/37/525473037.db2.gz IFTZPUKNAUHCKN-UHFFFAOYSA-N -1 0 293.231 2.474 20 5 CEBDRM CSC[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183906913 525674825 /nfs/dbraw/zinc/67/48/25/525674825.db2.gz XAKVVKHFLLSSCW-ZETCQYMHSA-N -1 0 270.310 2.238 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000158800917 529238542 /nfs/dbraw/zinc/23/85/42/529238542.db2.gz IXEANGDOADYGNP-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM O=Cc1ccc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000874972657 649878185 /nfs/dbraw/zinc/87/81/85/649878185.db2.gz KSIPYSJIYFHPBW-UHFFFAOYSA-N -1 0 261.189 2.366 20 5 CEBDRM O=C(OCc1cccnc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000729196719 574481721 /nfs/dbraw/zinc/48/17/21/574481721.db2.gz WOZIZVDBEQLTTE-UHFFFAOYSA-N -1 0 281.655 2.328 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736941032 574799915 /nfs/dbraw/zinc/79/99/15/574799915.db2.gz VFVFDBAZOIUPIB-NSHDSACASA-N -1 0 292.291 2.308 20 5 CEBDRM Cc1sc(C(=O)OCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738398226 574860950 /nfs/dbraw/zinc/86/09/50/574860950.db2.gz RZNDXEYPAZFOON-UHFFFAOYSA-N -1 0 287.293 2.376 20 5 CEBDRM C[C@H](NC(=O)[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000739017703 574889387 /nfs/dbraw/zinc/88/93/87/574889387.db2.gz RBZGEHCPLBYNLS-JTQLQIEISA-N -1 0 293.323 2.467 20 5 CEBDRM C[C@@H](NC(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000739017062 574889463 /nfs/dbraw/zinc/88/94/63/574889463.db2.gz MXNTUXNKDFCMMM-SNVBAGLBSA-N -1 0 293.323 2.467 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCCCN1C(=O)[O-] ZINC000740097909 574942003 /nfs/dbraw/zinc/94/20/03/574942003.db2.gz JGLJCGAVYGVGMS-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])N1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000740496026 574956415 /nfs/dbraw/zinc/95/64/15/574956415.db2.gz IKGAKLXNKMLTTP-UHFFFAOYSA-N -1 0 279.296 2.397 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000227504007 601562756 /nfs/dbraw/zinc/56/27/56/601562756.db2.gz VUAYRXNSDOOWEL-ZJUUUORDSA-N -1 0 264.281 2.060 20 5 CEBDRM Cc1cc(NCCC(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000821041808 598194441 /nfs/dbraw/zinc/19/44/41/598194441.db2.gz RWKSTWNRGXGEEV-UHFFFAOYSA-N -1 0 275.264 2.338 20 5 CEBDRM CCC(CC)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236635249 599774379 /nfs/dbraw/zinc/77/43/79/599774379.db2.gz GJVXNTNYJJJVJU-UHFFFAOYSA-N -1 0 294.307 2.459 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165116751 599995496 /nfs/dbraw/zinc/99/54/96/599995496.db2.gz COWOJTVWNZFRPA-CYBMUJFWSA-N -1 0 298.270 2.107 20 5 CEBDRM CCc1cc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ncn1 ZINC000217320459 600610716 /nfs/dbraw/zinc/61/07/16/600610716.db2.gz XRQFUHYRQZCQHV-UHFFFAOYSA-N -1 0 289.247 2.438 20 5 CEBDRM Cc1nnc([C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000833017782 600804808 /nfs/dbraw/zinc/80/48/08/600804808.db2.gz IOGLIMIYXOKQSR-ZCFIWIBFSA-N -1 0 293.235 2.124 20 5 CEBDRM Cc1cnc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000700323891 600983158 /nfs/dbraw/zinc/98/31/58/600983158.db2.gz PDUNOVDRGXPBON-UHFFFAOYSA-N -1 0 278.220 2.168 20 5 CEBDRM C[C@H]1CCCN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000828271349 601378424 /nfs/dbraw/zinc/37/84/24/601378424.db2.gz DALDUMATKGAJAV-ZETCQYMHSA-N -1 0 295.251 2.190 20 5 CEBDRM CC(C)(CNc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000232520133 601681362 /nfs/dbraw/zinc/68/13/62/601681362.db2.gz XIEKPKAXTNUJNJ-UHFFFAOYSA-N -1 0 273.676 2.166 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739035196 603018607 /nfs/dbraw/zinc/01/86/07/603018607.db2.gz GFCYULDQJYZMKC-VHSXEESVSA-N -1 0 294.311 2.180 20 5 CEBDRM CC(C)(CNc1ccc([N+](=O)[O-])cc1)NC(=O)[O-] ZINC000824011592 603521140 /nfs/dbraw/zinc/52/11/40/603521140.db2.gz VFJCLRYBKPVAFC-UHFFFAOYSA-N -1 0 253.258 2.053 20 5 CEBDRM Cc1cc(NCC[C@H]2CCN(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000830122467 603890276 /nfs/dbraw/zinc/89/02/76/603890276.db2.gz MQPTVYUKXKAIJT-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1cc(NC[C@H]2CCCN(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000830122831 603890427 /nfs/dbraw/zinc/89/04/27/603890427.db2.gz PQCSZLGTADAVFP-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM CC(C)[C@H](CCN(C)c1ccc([N+](=O)[O-])nc1)NC(=O)[O-] ZINC000824105414 604227361 /nfs/dbraw/zinc/22/73/61/604227361.db2.gz UXUXPYDYZIRUMZ-NSHDSACASA-N -1 0 296.327 2.108 20 5 CEBDRM O=C([O-])NC1(CNc2ccccc2[N+](=O)[O-])CCC1 ZINC000834156417 605363459 /nfs/dbraw/zinc/36/34/59/605363459.db2.gz YTFWINBECFTEAL-UHFFFAOYSA-N -1 0 265.269 2.197 20 5 CEBDRM C[C@@H]1[C@@H](C)N(C(=O)[O-])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000833828505 606038348 /nfs/dbraw/zinc/03/83/48/606038348.db2.gz OMLFIBKVRXLOSX-RKDXNWHRSA-N -1 0 299.352 2.229 20 5 CEBDRM CC[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000234023722 622765115 /nfs/dbraw/zinc/76/51/15/622765115.db2.gz CLZRIEIIPGXHFA-ZCFIWIBFSA-N -1 0 274.223 2.396 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000311461135 627666296 /nfs/dbraw/zinc/66/62/96/627666296.db2.gz OGIOFURQCPIKAU-JOYOIKCWSA-N -1 0 264.281 2.142 20 5 CEBDRM C[C@H]1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000311676034 627688228 /nfs/dbraw/zinc/68/82/28/627688228.db2.gz ZIJNEBVUDPWHGL-YUMQZZPRSA-N -1 0 265.269 2.289 20 5 CEBDRM O=c1[nH]ccc(NC[C@]23C[C@H]2COC32CCC2)c1[N+](=O)[O-] ZINC000897261162 631025926 /nfs/dbraw/zinc/02/59/26/631025926.db2.gz XRQCQTHAVYLCTR-TVQRCGJNSA-N -1 0 291.307 2.067 20 5 CEBDRM O=C(OC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])[n-]1 ZINC000802926165 631484646 /nfs/dbraw/zinc/48/46/46/631484646.db2.gz NQPDAQYXWQSOPW-QMMMGPOBSA-N -1 0 270.310 2.365 20 5 CEBDRM O=C(NOC1CCCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000803128553 631515855 /nfs/dbraw/zinc/51/58/55/631515855.db2.gz JQWOFSOXWSLRMN-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899408660 632838484 /nfs/dbraw/zinc/83/84/84/632838484.db2.gz YZWSSCPSKMXLOP-YJQGPUDQSA-N -1 0 290.319 2.322 20 5 CEBDRM O=C([O-])/C=C\c1ccc(N2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906148932 636624850 /nfs/dbraw/zinc/62/48/50/636624850.db2.gz NROUKFYFBLEHLZ-MORRKMRCSA-N -1 0 294.282 2.488 20 5 CEBDRM CSCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835819679 638420560 /nfs/dbraw/zinc/42/05/60/638420560.db2.gz GIEYCPISIKNGMF-ZETCQYMHSA-N -1 0 258.299 2.221 20 5 CEBDRM CC(C)COCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837431370 639225114 /nfs/dbraw/zinc/22/51/14/639225114.db2.gz KDEYSULUEDFFQT-UHFFFAOYSA-N -1 0 297.307 2.406 20 5 CEBDRM C[C@]1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCOC1 ZINC000837621330 639312535 /nfs/dbraw/zinc/31/25/35/639312535.db2.gz HLHFOSWXLGUFCQ-AWEZNQCLSA-N -1 0 295.291 2.160 20 5 CEBDRM CCc1nnc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000223900501 639437764 /nfs/dbraw/zinc/43/77/64/639437764.db2.gz XNTSYGIWIKZREU-UHFFFAOYSA-N -1 0 296.283 2.400 20 5 CEBDRM C[C@H](NC(=O)CCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000840729091 639530733 /nfs/dbraw/zinc/53/07/33/639530733.db2.gz LXWDGMMHRNONMF-VIFPVBQESA-N -1 0 280.280 2.027 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1NCCCCC(=O)[O-] ZINC000841506145 639779038 /nfs/dbraw/zinc/77/90/38/639779038.db2.gz HSHCBEWDQAHGQZ-UHFFFAOYSA-N -1 0 280.280 2.464 20 5 CEBDRM C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000834662013 640431208 /nfs/dbraw/zinc/43/12/08/640431208.db2.gz WKLNAKDSBJSPFD-IUCAKERBSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844206465 640631722 /nfs/dbraw/zinc/63/17/22/640631722.db2.gz CFEAJZQAMJNGCC-SNVBAGLBSA-N -1 0 278.308 2.458 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCCSCC2)c([N+](=O)[O-])c1 ZINC000844208990 640632622 /nfs/dbraw/zinc/63/26/22/640632622.db2.gz XTFXUAOPGIRHHG-UHFFFAOYSA-N -1 0 296.348 2.165 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2CCC=CO2)n1 ZINC000844208838 640632715 /nfs/dbraw/zinc/63/27/15/640632715.db2.gz ORJPSKSZVFPIHR-VIFPVBQESA-N -1 0 293.279 2.101 20 5 CEBDRM Cc1ncsc1CCOC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000919668616 641063344 /nfs/dbraw/zinc/06/33/44/641063344.db2.gz PBQAEAOPLQBBPW-UHFFFAOYSA-N -1 0 281.293 2.087 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](F)C1 ZINC000846119409 641192380 /nfs/dbraw/zinc/19/23/80/641192380.db2.gz DWYJNHYKCGECDV-JTQLQIEISA-N -1 0 254.261 2.234 20 5 CEBDRM O=C([O-])CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000083730385 642268354 /nfs/dbraw/zinc/26/83/54/642268354.db2.gz WHNLPCBQSXLPTE-UHFFFAOYSA-N -1 0 289.085 2.244 20 5 CEBDRM CCO[C@H]1[C@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000923450739 643720984 /nfs/dbraw/zinc/72/09/84/643720984.db2.gz ICHRWWVUCWFKLB-ZEGGKSINSA-N -1 0 295.291 2.015 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000755637570 644538027 /nfs/dbraw/zinc/53/80/27/644538027.db2.gz GEHQWMYKSXBBEB-MRVPVSSYSA-N -1 0 275.264 2.120 20 5 CEBDRM CC(C)(C(=O)[N-]OCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000759333894 645012708 /nfs/dbraw/zinc/01/27/08/645012708.db2.gz FXPBGTZWRXDOTE-UHFFFAOYSA-N -1 0 288.250 2.185 20 5 CEBDRM CC(C)c1nnc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000861178965 646047817 /nfs/dbraw/zinc/04/78/17/646047817.db2.gz UHCJYFHAPBSOLL-UHFFFAOYSA-N -1 0 296.308 2.255 20 5 CEBDRM CSCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773071509 646703065 /nfs/dbraw/zinc/70/30/65/646703065.db2.gz COOMQUIJAXDDDJ-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780653270 647455655 /nfs/dbraw/zinc/45/56/55/647455655.db2.gz YRTSFBLFRMBKOZ-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM Cc1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])c([O-])c1)NC2=O ZINC000133716686 652706826 /nfs/dbraw/zinc/70/68/26/652706826.db2.gz IDFDAYUUUKQCDN-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM CSCC[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316517 813327169 /nfs/dbraw/zinc/32/71/69/813327169.db2.gz VZLIHKXLYPYZSD-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM Cc1cc(N[C@@H](C)[C@@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000133535713 809253365 /nfs/dbraw/zinc/25/33/65/809253365.db2.gz WEWJXRNLFGPKQE-BDAKNGLRSA-N -1 0 252.270 2.424 20 5 CEBDRM O=c1cc(CNc2ccc3ccc([N+](=O)[O-])cc3n2)o[n-]1 ZINC001158563498 812812189 /nfs/dbraw/zinc/81/21/89/812812189.db2.gz HCGQWMIDIGGNOM-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM CCN(CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000233456203 814302257 /nfs/dbraw/zinc/30/22/57/814302257.db2.gz CNYNHWGTKHCPOO-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM Cc1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)o1 ZINC001174502498 816028878 /nfs/dbraw/zinc/02/88/78/816028878.db2.gz RMHNCSHDLBMMEY-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM O=C([O-])c1cc(Nc2cnnc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001176673627 816454057 /nfs/dbraw/zinc/45/40/57/816454057.db2.gz YNECGIYSIRNGSW-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM C[C@@H](CN(C)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000124698441 187149492 /nfs/dbraw/zinc/14/94/92/187149492.db2.gz BBVFGBHPOOTDHQ-ZETCQYMHSA-N -1 0 272.688 2.405 20 5 CEBDRM C[C@H]1CCc2c(=O)n(-c3cccc([N+](=O)[O-])c3)[n-]c21 ZINC000601930624 346928879 /nfs/dbraw/zinc/92/88/79/346928879.db2.gz BDSJWQOMTBYMLP-KWQFWETISA-N -1 0 259.265 2.344 20 5 CEBDRM CCc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601943634 346935822 /nfs/dbraw/zinc/93/58/22/346935822.db2.gz SCSSGVGQZPWQEV-ZETCQYMHSA-N -1 0 265.244 2.483 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1-n1[n-]c2c(c1=O)CCC2 ZINC000601943729 346935939 /nfs/dbraw/zinc/93/59/39/346935939.db2.gz TZVMIBIALGMYMY-SNVBAGLBSA-N -1 0 259.265 2.406 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(CCC(=O)[O-])CC2)n1 ZINC000162697845 344467991 /nfs/dbraw/zinc/46/79/91/344467991.db2.gz AINSHBPIZISVCJ-UHFFFAOYSA-N -1 0 293.323 2.379 20 5 CEBDRM CC1(C)C[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000166828021 344477170 /nfs/dbraw/zinc/47/71/70/344477170.db2.gz IOAUFNIBLDFAPH-MRVPVSSYSA-N -1 0 295.295 2.058 20 5 CEBDRM O=C(NC[C@H]1Cc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000318608173 344750382 /nfs/dbraw/zinc/75/03/82/344750382.db2.gz WNPQCABWDJWVFB-LLVKDONJSA-N -1 0 298.298 2.370 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000313262858 344741795 /nfs/dbraw/zinc/74/17/95/344741795.db2.gz ZCURUFMIUILBOD-MRVPVSSYSA-N -1 0 286.234 2.218 20 5 CEBDRM CN(C[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211495137 539438542 /nfs/dbraw/zinc/43/85/42/539438542.db2.gz NNRXSURZIWRCHB-NSHDSACASA-N -1 0 294.307 2.298 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]1C(F)(F)F ZINC000590379462 345132309 /nfs/dbraw/zinc/13/23/09/345132309.db2.gz FDJDMOHLAXMNLH-MRVPVSSYSA-N -1 0 290.197 2.077 20 5 CEBDRM CSCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592968536 345417237 /nfs/dbraw/zinc/41/72/37/345417237.db2.gz NJCJVQWFLFROCW-UHFFFAOYSA-N -1 0 284.337 2.387 20 5 CEBDRM O=C([O-])CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000592981004 345418462 /nfs/dbraw/zinc/41/84/62/345418462.db2.gz NPDJKEAPIHRWFS-UHFFFAOYSA-N -1 0 270.310 2.347 20 5 CEBDRM CC(C)(F)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000594736509 345681923 /nfs/dbraw/zinc/68/19/23/345681923.db2.gz QQGJTGIRJNGHIB-UHFFFAOYSA-N -1 0 271.248 2.238 20 5 CEBDRM CC(C)(F)CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000594736640 345682068 /nfs/dbraw/zinc/68/20/68/345682068.db2.gz UIMDYWNRGAXABM-UHFFFAOYSA-N -1 0 271.248 2.238 20 5 CEBDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595278270 345753412 /nfs/dbraw/zinc/75/34/12/345753412.db2.gz XJPFHSMQYMANNM-UHFFFAOYSA-N -1 0 294.307 2.168 20 5 CEBDRM Cc1cccnc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160046468 232249265 /nfs/dbraw/zinc/24/92/65/232249265.db2.gz XVTIUUUSMFYQRW-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CC(C)(C)OCCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000598190922 346302342 /nfs/dbraw/zinc/30/23/42/346302342.db2.gz OTXJRQZDKNAVJH-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CCO[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000599713542 346573627 /nfs/dbraw/zinc/57/36/27/346573627.db2.gz KAUWYKFEBLAIHO-LBPRGKRZSA-N -1 0 282.296 2.300 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CC=CC2)n1 ZINC000600678756 346671829 /nfs/dbraw/zinc/67/18/29/346671829.db2.gz UKHVQIJVJUCEMM-UHFFFAOYSA-N -1 0 263.253 2.066 20 5 CEBDRM CO[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000600838423 346699009 /nfs/dbraw/zinc/69/90/09/346699009.db2.gz BYDXACQIUXBGST-JTQLQIEISA-N -1 0 296.323 2.186 20 5 CEBDRM CN(CCC1CC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336817565 365861726 /nfs/dbraw/zinc/86/17/26/365861726.db2.gz QVYVJPXEIXYJRK-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1nccs1 ZINC000609750080 347649942 /nfs/dbraw/zinc/64/99/42/347649942.db2.gz YABALXAVKDBLNV-UPHRSURJSA-N -1 0 277.261 2.315 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000359753684 303999815 /nfs/dbraw/zinc/99/98/15/303999815.db2.gz VHAOIYKPVVOQLU-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM O=C(Nc1ccc2nccn2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613950851 348126764 /nfs/dbraw/zinc/12/67/64/348126764.db2.gz GKETYAPKAZSQPY-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1coc(C2CC2)n1 ZINC000614459175 348203685 /nfs/dbraw/zinc/20/36/85/348203685.db2.gz CKRQQHRPZTXOOK-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073047217 363194208 /nfs/dbraw/zinc/19/42/08/363194208.db2.gz HCJZZRUWSPXUJI-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(CC[C@H]1CCOC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166164638 188635762 /nfs/dbraw/zinc/63/57/62/188635762.db2.gz QVLGIYLOOJDFKF-VIFPVBQESA-N -1 0 280.280 2.056 20 5 CEBDRM CSCCN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000570215340 299245405 /nfs/dbraw/zinc/24/54/05/299245405.db2.gz HMPHOAYPVHYYAN-UHFFFAOYSA-N -1 0 284.337 2.401 20 5 CEBDRM CCc1ccc(C(=O)N(C)[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000575763721 366358997 /nfs/dbraw/zinc/35/89/97/366358997.db2.gz YTSFULDPWKLZAT-VIFPVBQESA-N -1 0 294.307 2.092 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)(F)F ZINC000452461901 283294673 /nfs/dbraw/zinc/29/46/73/283294673.db2.gz VVZABQRTTRTDQK-ZCFIWIBFSA-N -1 0 274.223 2.074 20 5 CEBDRM CO[C@H](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000577733907 366389830 /nfs/dbraw/zinc/38/98/30/366389830.db2.gz IMXXCNBFNVCWQU-SECBINFHSA-N -1 0 282.296 2.438 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135423877 366437588 /nfs/dbraw/zinc/43/75/88/366437588.db2.gz OYTUDZWFGBOCDW-JTQLQIEISA-N -1 0 294.307 2.229 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000019400714 361531192 /nfs/dbraw/zinc/53/11/92/361531192.db2.gz LSHQEGQNDFTFKX-QPUJVOFHSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C(Nc1cccc2c[nH]nc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000030651555 361701029 /nfs/dbraw/zinc/70/10/29/361701029.db2.gz UNQNGCAQTIIUBU-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM O=C(/C=C/c1cccnc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531679 363978135 /nfs/dbraw/zinc/97/81/35/363978135.db2.gz PQAUHVTZUZIPDB-ZZXKWVIFSA-N -1 0 285.259 2.347 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356509321 370735975 /nfs/dbraw/zinc/73/59/75/370735975.db2.gz GTNMRSQLXCFTRM-JTQLQIEISA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccn1 ZINC000112496073 364811253 /nfs/dbraw/zinc/81/12/53/364811253.db2.gz JTBXQMCPTIGCNZ-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM COc1cccc(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000582181070 366875297 /nfs/dbraw/zinc/87/52/97/366875297.db2.gz FAPWSKIGRNDWFD-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC2(CCC2)C1 ZINC000160523093 367013803 /nfs/dbraw/zinc/01/38/03/367013803.db2.gz YCFCOYSBLIGQKG-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM C[C@@H]1SCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000164695495 367293314 /nfs/dbraw/zinc/29/33/14/367293314.db2.gz PMSOXNRCMNLMGM-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343880974 368056962 /nfs/dbraw/zinc/05/69/62/368056962.db2.gz RXEXYRUCLIXCEB-GXFFZTMASA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1conc1C1CC1 ZINC000343814125 368018182 /nfs/dbraw/zinc/01/81/82/368018182.db2.gz VEKXMCLEHQMADC-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCS1 ZINC000182063661 368520874 /nfs/dbraw/zinc/52/08/74/368520874.db2.gz ATWQKZBBYNQBJQ-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1c(CSc2n[nH]c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000187643607 369193336 /nfs/dbraw/zinc/19/33/36/369193336.db2.gz BFLQULCCBGSKPL-UHFFFAOYSA-N -1 0 266.282 2.019 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000349150387 369252804 /nfs/dbraw/zinc/25/28/04/369252804.db2.gz WRCRPOKWCMBZLL-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CN(Cc1cscn1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000352766578 369873732 /nfs/dbraw/zinc/87/37/32/369873732.db2.gz YAGDQKRAQMYBJB-UHFFFAOYSA-N -1 0 279.321 2.389 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192968972 369876894 /nfs/dbraw/zinc/87/68/94/369876894.db2.gz OQDICAAELFDMGS-VIFPVBQESA-N -1 0 294.307 2.315 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000230688087 370465118 /nfs/dbraw/zinc/46/51/18/370465118.db2.gz AZTCLKOENRIMGB-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NCCc1cccs1)c1cccc([O-])c1[N+](=O)[O-] ZINC000355575034 370605358 /nfs/dbraw/zinc/60/53/58/370605358.db2.gz WUTFVJCENBGSOR-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM CCOC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000276865792 374329299 /nfs/dbraw/zinc/32/92/99/374329299.db2.gz KRCDEWIERRUZGB-CYBMUJFWSA-N -1 0 296.323 2.091 20 5 CEBDRM CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277827104 374659114 /nfs/dbraw/zinc/65/91/14/374659114.db2.gz XDRJOBLCXGOWNU-GXFFZTMASA-N -1 0 294.307 2.300 20 5 CEBDRM COC(C)(C)CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000280063039 375078049 /nfs/dbraw/zinc/07/80/49/375078049.db2.gz BDAOCKMTSFCMIH-UHFFFAOYSA-N -1 0 268.269 2.054 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000263440418 304188885 /nfs/dbraw/zinc/18/88/85/304188885.db2.gz WUVJVDOOFYCVPF-LLVKDONJSA-N -1 0 287.275 2.196 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000408162627 375419752 /nfs/dbraw/zinc/41/97/52/375419752.db2.gz YEEGILZWAKMBCD-DTORHVGOSA-N -1 0 264.281 2.313 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000412671652 375650513 /nfs/dbraw/zinc/65/05/13/375650513.db2.gz LJAXMBPENVYIGH-GHMZBOCLSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000413955428 375792596 /nfs/dbraw/zinc/79/25/96/375792596.db2.gz MNTISLRNZOAWSU-GHMZBOCLSA-N -1 0 282.271 2.311 20 5 CEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000330614302 377197204 /nfs/dbraw/zinc/19/72/04/377197204.db2.gz RWTQAILOWRIPTE-VIFPVBQESA-N -1 0 268.338 2.238 20 5 CEBDRM CCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563627251 377266291 /nfs/dbraw/zinc/26/62/91/377266291.db2.gz WRDYLVAOXMFUBH-UHFFFAOYSA-N -1 0 272.688 2.436 20 5 CEBDRM Cc1cc(NCCOCC2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565039110 377539721 /nfs/dbraw/zinc/53/97/21/377539721.db2.gz PUBAZVVSNCIAIB-UHFFFAOYSA-N -1 0 294.307 2.440 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000295538066 378200894 /nfs/dbraw/zinc/20/08/94/378200894.db2.gz CGMRQCTXWKQRSN-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM CC(C)CCn1ccc([N-]c2ncc([N+](=O)[O-])cn2)n1 ZINC000302235633 379341436 /nfs/dbraw/zinc/34/14/36/379341436.db2.gz VDANCHQIXGVGPL-UHFFFAOYSA-N -1 0 276.300 2.371 20 5 CEBDRM CC(C)(C)C1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000457334913 379752268 /nfs/dbraw/zinc/75/22/68/379752268.db2.gz XNEBGBWITDNQRZ-UHFFFAOYSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000281256961 195170539 /nfs/dbraw/zinc/17/05/39/195170539.db2.gz QNYLHTSTLFXVEZ-IUCAKERBSA-N -1 0 292.291 2.244 20 5 CEBDRM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000094240267 184768806 /nfs/dbraw/zinc/76/88/06/184768806.db2.gz XWJFSXHQABUHAB-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC(C)(C)O1 ZINC000041681472 134884159 /nfs/dbraw/zinc/88/41/59/134884159.db2.gz BQOJRKNKFRSQBE-VIFPVBQESA-N -1 0 294.307 2.297 20 5 CEBDRM CC(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000228545538 394475472 /nfs/dbraw/zinc/47/54/72/394475472.db2.gz HCQCOHYBLIVZDK-LLVKDONJSA-N -1 0 278.308 2.419 20 5 CEBDRM CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC(C)C ZINC000416258616 395040185 /nfs/dbraw/zinc/04/01/85/395040185.db2.gz FVOODTKYOHWAFH-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436881578 395160406 /nfs/dbraw/zinc/16/04/06/395160406.db2.gz SYKPLHBPLAENEN-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436784049 395153626 /nfs/dbraw/zinc/15/36/26/395153626.db2.gz ONPXWDUCPQKORP-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436970556 395168427 /nfs/dbraw/zinc/16/84/27/395168427.db2.gz DVEXUBNMUZKSPT-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@@H](C[C@@H]1CCCO1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568396401 395557973 /nfs/dbraw/zinc/55/79/73/395557973.db2.gz HDMDDAGFFCRQNK-IUCAKERBSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(NC[C@H](CO)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568635191 395563772 /nfs/dbraw/zinc/56/37/72/395563772.db2.gz WIQOWOUEOGVOTN-SNVBAGLBSA-N -1 0 296.323 2.278 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234300973 153425157 /nfs/dbraw/zinc/42/51/57/153425157.db2.gz SLZKKULIIIHFDQ-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM Cn1ccnc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000562475042 298691608 /nfs/dbraw/zinc/69/16/08/298691608.db2.gz CMEFWXCTBLRFQH-UHFFFAOYSA-N -1 0 265.294 2.326 20 5 CEBDRM CCC[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747690 175243086 /nfs/dbraw/zinc/24/30/86/175243086.db2.gz PBESRSREASRQLL-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000070852773 176008728 /nfs/dbraw/zinc/00/87/28/176008728.db2.gz SIURVIFNIFLXPS-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM O=C(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184580100 262287347 /nfs/dbraw/zinc/28/73/47/262287347.db2.gz KXMSZBCOTGDORS-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000184854343 281222206 /nfs/dbraw/zinc/22/22/06/281222206.db2.gz HRDXLBNLSDFAQS-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCCCC2)n1 ZINC000166631976 297465075 /nfs/dbraw/zinc/46/50/75/297465075.db2.gz AYGPWSOTSFMYJY-UHFFFAOYSA-N -1 0 265.269 2.433 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCC(F)(F)F)n1 ZINC000166819163 297465869 /nfs/dbraw/zinc/46/58/69/297465869.db2.gz ZOGOFGABUOIECZ-UHFFFAOYSA-N -1 0 293.201 2.442 20 5 CEBDRM COc1cc(/C=C/c2cnccn2)cc([N+](=O)[O-])c1[O-] ZINC000560056538 298632571 /nfs/dbraw/zinc/63/25/71/298632571.db2.gz QVUNXBKAGOJRJI-NSCUHMNNSA-N -1 0 273.248 2.269 20 5 CEBDRM C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000563195978 298750259 /nfs/dbraw/zinc/75/02/59/298750259.db2.gz UGCQMLRFXPTNPJ-LURJTMIESA-N -1 0 284.699 2.482 20 5 CEBDRM COCCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000566294726 298963925 /nfs/dbraw/zinc/96/39/25/298963925.db2.gz JMZUHXMHDKKIIH-UHFFFAOYSA-N -1 0 282.296 2.440 20 5 CEBDRM CC[C@@H]1C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000567391147 299059982 /nfs/dbraw/zinc/05/99/82/299059982.db2.gz UMPYYABOZARKAZ-NXEZZACHSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[C@@H]1C ZINC000182174167 300188657 /nfs/dbraw/zinc/18/86/57/300188657.db2.gz QRVQFBGACSIQPT-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000191348126 300385573 /nfs/dbraw/zinc/38/55/73/300385573.db2.gz JCRUXJZJZZAEBT-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM O=C(N[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137814670 303935697 /nfs/dbraw/zinc/93/56/97/303935697.db2.gz MZMZDFNCGNNNIB-JTQLQIEISA-N -1 0 262.265 2.139 20 5 CEBDRM CC1(c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CC1 ZINC000351153811 312983428 /nfs/dbraw/zinc/98/34/28/312983428.db2.gz AJFNWAHDYWQODV-UHFFFAOYSA-N -1 0 261.237 2.402 20 5 CEBDRM C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000517576093 313111545 /nfs/dbraw/zinc/11/15/45/313111545.db2.gz PTJPKNDUMCWKIS-PSASIEDQSA-N -1 0 284.337 2.341 20 5 CEBDRM C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000517576095 313111764 /nfs/dbraw/zinc/11/17/64/313111764.db2.gz PTJPKNDUMCWKIS-WCBMZHEXSA-N -1 0 284.337 2.341 20 5 CEBDRM Cc1cc(N[C@H](CO)CC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038174 313792661 /nfs/dbraw/zinc/79/26/61/313792661.db2.gz NCNFSXSTSFVVER-NSHDSACASA-N -1 0 296.323 2.420 20 5 CEBDRM CC[C@H](C)[C@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572043071 314118206 /nfs/dbraw/zinc/11/82/06/314118206.db2.gz GTTBZQSRRJYUIV-TVQRCGJNSA-N -1 0 296.323 2.041 20 5 CEBDRM CC[C@@H](Sc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000578511539 314487582 /nfs/dbraw/zinc/48/75/82/314487582.db2.gz VPEKKJUROCEWHF-MRVPVSSYSA-N -1 0 256.283 2.132 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2(CO)CCCC2)c1 ZINC000211503977 326863964 /nfs/dbraw/zinc/86/39/64/326863964.db2.gz KOHLPTNXJLNDAI-UHFFFAOYSA-N -1 0 294.307 2.258 20 5 CEBDRM COc1cnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000560461785 327310505 /nfs/dbraw/zinc/31/05/05/327310505.db2.gz YYPSEGQEZSMUFD-UHFFFAOYSA-N -1 0 295.276 2.018 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC1CCC(C(=O)[O-])CC1 ZINC000052812056 525576206 /nfs/dbraw/zinc/57/62/06/525576206.db2.gz VOYFHTJZWBLXNJ-UHFFFAOYSA-N -1 0 279.296 2.354 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000054297955 527635418 /nfs/dbraw/zinc/63/54/18/527635418.db2.gz DBNHVQWKNMSODQ-SECBINFHSA-N -1 0 282.271 2.425 20 5 CEBDRM O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000061609774 527646923 /nfs/dbraw/zinc/64/69/23/527646923.db2.gz HVMHPAWHZREHIE-LBPRGKRZSA-N -1 0 287.275 2.270 20 5 CEBDRM CC(C)[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225795553 534954041 /nfs/dbraw/zinc/95/40/41/534954041.db2.gz IMMOZFMJHOVXOD-VIFPVBQESA-N -1 0 266.297 2.417 20 5 CEBDRM Cc1nn(C)c(Nc2cccc(CC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000738375232 574440497 /nfs/dbraw/zinc/44/04/97/574440497.db2.gz HOHKZBMCLJUWNR-UHFFFAOYSA-N -1 0 290.279 2.007 20 5 CEBDRM CC(C)SCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736499622 574790474 /nfs/dbraw/zinc/79/04/74/574790474.db2.gz KCHMWQQMCPGWTL-UHFFFAOYSA-N -1 0 298.320 2.373 20 5 CEBDRM CC(C)(C(=O)OCCCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000737571781 574840837 /nfs/dbraw/zinc/84/08/37/574840837.db2.gz RZPDVHVYOGQMDX-UHFFFAOYSA-N -1 0 295.291 2.280 20 5 CEBDRM CC(C)N(CCCNc1ccc([N+](=O)[O-])nc1)C(=O)[O-] ZINC000738848209 574881778 /nfs/dbraw/zinc/88/17/78/574881778.db2.gz LYMYGSPRPWTWOM-UHFFFAOYSA-N -1 0 282.300 2.180 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1NC(=O)[O-] ZINC000739190362 574898832 /nfs/dbraw/zinc/89/88/32/574898832.db2.gz GMUFHMLEHWHFQX-HTQZYQBOSA-N -1 0 285.325 2.139 20 5 CEBDRM CCN(CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C(=O)[O-] ZINC000739393255 574915651 /nfs/dbraw/zinc/91/56/51/574915651.db2.gz YDDBQFIQTOVTEE-UHFFFAOYSA-N -1 0 295.295 2.150 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000739588070 574927918 /nfs/dbraw/zinc/92/79/18/574927918.db2.gz YPWGQTPUHQBEHW-CYBMUJFWSA-N -1 0 293.323 2.169 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000739586257 574927923 /nfs/dbraw/zinc/92/79/23/574927923.db2.gz GDISTBHNTWXDKS-SECBINFHSA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCCCN1C(=O)[O-] ZINC000740097907 574941967 /nfs/dbraw/zinc/94/19/67/574941967.db2.gz JGLJCGAVYGVGMS-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])CCCCSc1ccc([N+](=O)[O-])cn1 ZINC000821523895 597758867 /nfs/dbraw/zinc/75/88/67/597758867.db2.gz GLDHGVFLEIURLX-UHFFFAOYSA-N -1 0 256.283 2.337 20 5 CEBDRM C/C(=C\COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000825758950 601406883 /nfs/dbraw/zinc/40/68/83/601406883.db2.gz STLSWILGWUWIFQ-DAAQNPAKSA-N -1 0 291.259 2.182 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000832958265 601560351 /nfs/dbraw/zinc/56/03/51/601560351.db2.gz RFWHBRFZFXLYCF-JTQLQIEISA-N -1 0 279.296 2.458 20 5 CEBDRM CC[C@@H](C)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828747436 601602569 /nfs/dbraw/zinc/60/25/69/601602569.db2.gz OBSOXYLCMSHARF-MRVPVSSYSA-N -1 0 281.264 2.496 20 5 CEBDRM O=C([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)o1 ZINC000833311999 601794470 /nfs/dbraw/zinc/79/44/70/601794470.db2.gz GYPAHFNAFOQZDA-DUXPYHPUSA-N -1 0 260.205 2.451 20 5 CEBDRM C[C@@H](CC(=O)[O-])C(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000827325297 602186618 /nfs/dbraw/zinc/18/66/18/602186618.db2.gz RUAAILWKYTZYOI-IUCAKERBSA-N -1 0 281.264 2.310 20 5 CEBDRM COc1cc(NC[C@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000829196697 603191510 /nfs/dbraw/zinc/19/15/10/603191510.db2.gz AYXWQBHMNMDOHT-JTQLQIEISA-N -1 0 297.311 2.308 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042161428 605012377 /nfs/dbraw/zinc/01/23/77/605012377.db2.gz OCWLGRLZQUGYIR-NSHDSACASA-N -1 0 293.279 2.066 20 5 CEBDRM O=C([O-])NC1(CNc2ccc([N+](=O)[O-])s2)CCC1 ZINC000834155169 605363182 /nfs/dbraw/zinc/36/31/82/605363182.db2.gz IYVMUSOXXRTNCV-UHFFFAOYSA-N -1 0 271.298 2.259 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000833818963 605498617 /nfs/dbraw/zinc/49/86/17/605498617.db2.gz RGJNJHVMRVEATR-IUCAKERBSA-N -1 0 297.286 2.216 20 5 CEBDRM C[C@H](CCNc1sccc1[N+](=O)[O-])NC(=O)[O-] ZINC000833806477 605990999 /nfs/dbraw/zinc/99/09/99/605990999.db2.gz XGDAZGWAESBAMQ-ZCFIWIBFSA-N -1 0 259.287 2.114 20 5 CEBDRM C[C@@H](CN(C)c1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000235100154 624608867 /nfs/dbraw/zinc/60/88/67/624608867.db2.gz ZVLHEFNEZPXFQV-LURJTMIESA-N -1 0 274.223 2.030 20 5 CEBDRM CN(CCC(=O)[O-])c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000311820771 627702018 /nfs/dbraw/zinc/70/20/18/627702018.db2.gz JYYZKOKGFKYJMD-UHFFFAOYSA-N -1 0 274.223 2.443 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000092922376 628536475 /nfs/dbraw/zinc/53/64/75/628536475.db2.gz XDTWRRODNJDXEB-ONGXEEELSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C(/C=C/[C@H]1CCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000821398971 634710367 /nfs/dbraw/zinc/71/03/67/634710367.db2.gz WAZYGFZZKMTFNF-FVOPLDGLSA-N -1 0 293.275 2.079 20 5 CEBDRM O=C(/C=C\[C@H]1CCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000821398973 634711191 /nfs/dbraw/zinc/71/11/91/634711191.db2.gz WAZYGFZZKMTFNF-TXNVCOODSA-N -1 0 293.275 2.079 20 5 CEBDRM CS[C@@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000910364330 638017299 /nfs/dbraw/zinc/01/72/99/638017299.db2.gz MTTVASCNRDBRPI-QMMMGPOBSA-N -1 0 284.337 2.385 20 5 CEBDRM Cc1nc(CCOC(=O)c2ccc([N+](=O)[O-])[n-]2)cs1 ZINC000835906320 638449016 /nfs/dbraw/zinc/44/90/16/638449016.db2.gz GZPMZUUCRWITBN-UHFFFAOYSA-N -1 0 281.293 2.087 20 5 CEBDRM CC[C@@H]1OCC[C@H]1C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837725711 639359481 /nfs/dbraw/zinc/35/94/81/639359481.db2.gz SFRTTZVBLFKWFU-YPMHNXCESA-N -1 0 295.291 2.159 20 5 CEBDRM O=C([O-])c1cc(NC[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000915211477 640527740 /nfs/dbraw/zinc/52/77/40/640527740.db2.gz UACNSLDJRCXFAT-LLVKDONJSA-N -1 0 292.247 2.032 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000844218022 640634782 /nfs/dbraw/zinc/63/47/82/640634782.db2.gz KTSXZKRNLXWDES-LDYMZIIASA-N -1 0 292.291 2.097 20 5 CEBDRM CCOC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCC1 ZINC000851551351 643062814 /nfs/dbraw/zinc/06/28/14/643062814.db2.gz ZRJWYKMRHHYIGB-UHFFFAOYSA-N -1 0 268.269 2.039 20 5 CEBDRM O=c1[n-]c(SCc2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000772232562 646608066 /nfs/dbraw/zinc/60/80/66/646608066.db2.gz ZGTZDZGYWCKTND-UHFFFAOYSA-N -1 0 286.700 2.364 20 5 CEBDRM CSCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773071508 646702748 /nfs/dbraw/zinc/70/27/48/646702748.db2.gz COOMQUIJAXDDDJ-MRVPVSSYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=C(CNc1ccccc1[N+](=O)[O-])[N-]Oc1ccccc1 ZINC000773464505 646743041 /nfs/dbraw/zinc/74/30/41/646743041.db2.gz DSXQAJFVXQTVLJ-UHFFFAOYSA-N -1 0 287.275 2.117 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000869652634 648551106 /nfs/dbraw/zinc/55/11/06/648551106.db2.gz WAFIHXWNSYTXNK-KBVBSXBZSA-N -1 0 295.291 2.157 20 5 CEBDRM CC(C)(O)CON=c1[n-]cc([N+](=O)[O-])c2ccccc21 ZINC000884488328 652881937 /nfs/dbraw/zinc/88/19/37/652881937.db2.gz SOTNVMBDAOECNY-UHFFFAOYSA-N -1 0 277.280 2.257 20 5 CEBDRM Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000693411160 802891628 /nfs/dbraw/zinc/89/16/28/802891628.db2.gz RFMOQTAAQVFIDX-OCAPTIKFSA-N -1 0 268.244 2.317 20 5 CEBDRM O=[N+]([O-])c1cnc([N-][C@H](c2ccccn2)C(F)(F)F)nc1 ZINC001168478422 807709659 /nfs/dbraw/zinc/70/96/59/807709659.db2.gz OUVVBJYVACUHHD-SECBINFHSA-N -1 0 299.212 2.495 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000693006184 814614673 /nfs/dbraw/zinc/61/46/73/814614673.db2.gz ZCONVLSPBCSSJC-AOOOYVTPSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C([O-])c1ccc(Nc2cnc(Cl)cn2)cc1[N+](=O)[O-] ZINC001174502715 816029072 /nfs/dbraw/zinc/02/90/72/816029072.db2.gz YTCPAIZQNLKSJU-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM Nc1cccc2cn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)nc21 ZINC001174504658 816029970 /nfs/dbraw/zinc/02/99/70/816029970.db2.gz WRJBRFFIVFZTFF-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C([O-])c1ccc(Nc2cn(CCF)cn2)cc1[N+](=O)[O-] ZINC001174504246 816030216 /nfs/dbraw/zinc/03/02/16/816030216.db2.gz ZSPVNKLCNMCRII-UHFFFAOYSA-N -1 0 294.242 2.203 20 5 CEBDRM Cc1noc(C(C)C)c1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001178274112 816714664 /nfs/dbraw/zinc/71/46/64/816714664.db2.gz PUHQDXOVXBJDQA-UHFFFAOYSA-N -1 0 293.283 2.000 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000036338367 361842650 /nfs/dbraw/zinc/84/26/50/361842650.db2.gz ZULFMXSCKOSCSU-LLVKDONJSA-N -1 0 286.309 2.030 20 5 CEBDRM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000037589497 361906893 /nfs/dbraw/zinc/90/68/93/361906893.db2.gz IULJQLANNSRFLB-JTQLQIEISA-N -1 0 294.307 2.229 20 5 CEBDRM CC[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178517169 529687091 /nfs/dbraw/zinc/68/70/91/529687091.db2.gz HXANPRQEZULZFP-QMMMGPOBSA-N -1 0 252.270 2.171 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCSC2 ZINC000601935829 346932387 /nfs/dbraw/zinc/93/23/87/346932387.db2.gz ZMZYQWMRBDDGPW-SNVBAGLBSA-N -1 0 277.305 2.051 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000094659105 344235405 /nfs/dbraw/zinc/23/54/05/344235405.db2.gz VUAYRXNSDOOWEL-NXEZZACHSA-N -1 0 264.281 2.060 20 5 CEBDRM O=C([O-])c1cnc(NCC2CCCC2)c([N+](=O)[O-])c1 ZINC000162356676 344467385 /nfs/dbraw/zinc/46/73/85/344467385.db2.gz PZIMUPMWGAETSW-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM C[C@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000166766096 344476870 /nfs/dbraw/zinc/47/68/70/344476870.db2.gz MWXUQCREYDHWHS-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000231355938 344574392 /nfs/dbraw/zinc/57/43/92/344574392.db2.gz JLSSDDZNZUUXNC-QMMMGPOBSA-N -1 0 268.294 2.210 20 5 CEBDRM CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000233895011 344582337 /nfs/dbraw/zinc/58/23/37/344582337.db2.gz JXORRIFJUXSCMQ-MRVPVSSYSA-N -1 0 260.196 2.148 20 5 CEBDRM O=C(N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000588789292 345055744 /nfs/dbraw/zinc/05/57/44/345055744.db2.gz VOBCBLFMWMCOLO-SNVBAGLBSA-N -1 0 286.234 2.218 20 5 CEBDRM O=C(N[C@@H]1CCCC1(F)F)c1cccc([O-])c1[N+](=O)[O-] ZINC000589921270 345105046 /nfs/dbraw/zinc/10/50/46/345105046.db2.gz OITADJFPPQGKNS-SECBINFHSA-N -1 0 286.234 2.218 20 5 CEBDRM CCN(CCSC)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000592916218 345414343 /nfs/dbraw/zinc/41/43/43/345414343.db2.gz AQTUNDILVQPTRR-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1cc(NC[C@@H](O)C(C)(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972531 345417129 /nfs/dbraw/zinc/41/71/29/345417129.db2.gz VIGZBBBGRXJMME-LLVKDONJSA-N -1 0 296.323 2.420 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC2(C)CC2)n1 ZINC000592979171 345417655 /nfs/dbraw/zinc/41/76/55/345417655.db2.gz SYEHDIHTNYMRTN-UHFFFAOYSA-N -1 0 279.296 2.020 20 5 CEBDRM O=C([O-])c1cnc(N2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000592976117 345417846 /nfs/dbraw/zinc/41/78/46/345417846.db2.gz HAGZIQLTUOFVHN-SNVBAGLBSA-N -1 0 291.307 2.314 20 5 CEBDRM CO[C@@H]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000592975451 345417908 /nfs/dbraw/zinc/41/79/08/345417908.db2.gz QGKFESGVMVXRTH-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593092137 345436935 /nfs/dbraw/zinc/43/69/35/345436935.db2.gz NCXVARZGWPGTDL-LLVKDONJSA-N -1 0 292.335 2.444 20 5 CEBDRM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC(F)F ZINC000592827282 345401119 /nfs/dbraw/zinc/40/11/19/345401119.db2.gz ZJXHSDWIORMIDX-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593756091 345533357 /nfs/dbraw/zinc/53/33/57/345533357.db2.gz VOOHZOQIIXTYDT-WDEREUQCSA-N -1 0 276.292 2.142 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000593883884 345548375 /nfs/dbraw/zinc/54/83/75/345548375.db2.gz VZDRNUDLDDZAIF-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1sc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000593919853 345552559 /nfs/dbraw/zinc/55/25/59/345552559.db2.gz CDCJANGYKNIPTA-HTRCEHHLSA-N -1 0 298.320 2.042 20 5 CEBDRM CCc1ccc(C(=O)N(C)[C@@H](CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593925323 345552826 /nfs/dbraw/zinc/55/28/26/345552826.db2.gz OKHYZSFBYNCYNI-NSHDSACASA-N -1 0 294.307 2.092 20 5 CEBDRM C[C@H]1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000594737224 345681638 /nfs/dbraw/zinc/68/16/38/345681638.db2.gz ZMNXMQLWGPQVII-IUCAKERBSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1n[n-]c(=O)o1 ZINC000595548269 345809259 /nfs/dbraw/zinc/80/92/59/345809259.db2.gz VABMJVKDMMVHGM-SECBINFHSA-N -1 0 292.295 2.185 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]1C(F)(F)F ZINC000595489500 345794538 /nfs/dbraw/zinc/79/45/38/345794538.db2.gz TVDGWYXMPPXFKL-JTQLQIEISA-N -1 0 276.214 2.437 20 5 CEBDRM C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000595970282 345918997 /nfs/dbraw/zinc/91/89/97/345918997.db2.gz VLOWIVUSKOWIKI-JGVFFNPUSA-N -1 0 299.714 2.190 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1NC[C@H](C(=O)[O-])C(C)C ZINC000595969949 345919080 /nfs/dbraw/zinc/91/90/80/345919080.db2.gz RHGGWKZLYBJENM-VIFPVBQESA-N -1 0 282.296 2.372 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cccc([O-])c1[N+](=O)[O-] ZINC000598207654 346305507 /nfs/dbraw/zinc/30/55/07/346305507.db2.gz JOHURIOMDJZQQM-JBLDHEPKSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1(F)F ZINC000598213525 346307065 /nfs/dbraw/zinc/30/70/65/346307065.db2.gz CCQUQAIBTLSECX-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1[N+](=O)[O-] ZINC000085406961 179054738 /nfs/dbraw/zinc/05/47/38/179054738.db2.gz IASPRRKWUAIQTF-WDEREUQCSA-N -1 0 292.291 2.199 20 5 CEBDRM O=C(NCC1=CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598377661 346341820 /nfs/dbraw/zinc/34/18/20/346341820.db2.gz YKKKWHHFAPRWDO-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781480 346419428 /nfs/dbraw/zinc/41/94/28/346419428.db2.gz ODPFFRWDYKHDRQ-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CCC[C@H](OCC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000599750690 346576874 /nfs/dbraw/zinc/57/68/74/346576874.db2.gz KWRBYTUIKXGXGZ-LBPRGKRZSA-N -1 0 282.296 2.444 20 5 CEBDRM C/C=C\CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000600678552 346671892 /nfs/dbraw/zinc/67/18/92/346671892.db2.gz KMRQOXXGPLXBMO-IHWYPQMZSA-N -1 0 250.254 2.210 20 5 CEBDRM CC[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880322 346703294 /nfs/dbraw/zinc/70/32/94/346703294.db2.gz ZCTIBVAEBXURBJ-OTYXRUKQSA-N -1 0 294.307 2.057 20 5 CEBDRM CCCCn1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000604455725 347416656 /nfs/dbraw/zinc/41/66/56/347416656.db2.gz CJOHSLLFFQNPQS-UHFFFAOYSA-N -1 0 261.281 2.331 20 5 CEBDRM Cc1sc(C(=O)NC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000610846691 347717610 /nfs/dbraw/zinc/71/76/10/347717610.db2.gz IBLGCVDHDJAEPL-UHFFFAOYSA-N -1 0 298.320 2.092 20 5 CEBDRM Cc1noc(C)c1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000610908358 347721669 /nfs/dbraw/zinc/72/16/69/347721669.db2.gz ALNHZVMTIDAUSS-UHFFFAOYSA-N -1 0 291.263 2.182 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613994235 348131892 /nfs/dbraw/zinc/13/18/92/348131892.db2.gz HCKBKTGZIIDYBN-ZETCQYMHSA-N -1 0 286.234 2.218 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000104202822 185928979 /nfs/dbraw/zinc/92/89/79/185928979.db2.gz YLTCPVLWRLEVQT-APPZFPTMSA-N -1 0 284.699 2.405 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000352105043 219323045 /nfs/dbraw/zinc/32/30/45/219323045.db2.gz FBYFQQLVKLMIIL-SECBINFHSA-N -1 0 266.297 2.417 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NCCC[C@H]2CCCC[C@@H]2O)s1 ZINC000337009793 365982359 /nfs/dbraw/zinc/98/23/59/365982359.db2.gz FFSQJFOFXOLKEW-ZJUUUORDSA-N -1 0 285.369 2.216 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119337316 186820368 /nfs/dbraw/zinc/82/03/68/186820368.db2.gz KQDNDPHLDSPULJ-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM CC[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000272587770 191804673 /nfs/dbraw/zinc/80/46/73/191804673.db2.gz VGDWNLWRQCZZIL-GFCCVEGCSA-N -1 0 296.348 2.268 20 5 CEBDRM CCOc1cccc(N[C@H](C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000134882147 366367763 /nfs/dbraw/zinc/36/77/63/366367763.db2.gz ZAWHAHIQVRLZEF-MRVPVSSYSA-N -1 0 268.269 2.269 20 5 CEBDRM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(=O)[O-] ZINC000571668639 299322356 /nfs/dbraw/zinc/32/23/56/299322356.db2.gz RGBBHZSULFOFKW-UHFFFAOYSA-N -1 0 294.307 2.197 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1C ZINC000153779577 366737784 /nfs/dbraw/zinc/73/77/84/366737784.db2.gz UVOSZSXTDGSUQN-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCCC1 ZINC000084146447 363799666 /nfs/dbraw/zinc/79/96/66/363799666.db2.gz RROZIGWARWKXAE-UHFFFAOYSA-N -1 0 296.279 2.095 20 5 CEBDRM CN1c2ccccc2C(=O)N[C@H]1c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024034881 361606628 /nfs/dbraw/zinc/60/66/28/361606628.db2.gz LRRNHRKBJVIOOT-CQSZACIVSA-N -1 0 299.286 2.179 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000087488054 363857050 /nfs/dbraw/zinc/85/70/50/363857050.db2.gz PCQFMOBUDGNEPU-JTQLQIEISA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1cnc(NC[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000094703447 364289323 /nfs/dbraw/zinc/28/93/23/364289323.db2.gz XGTDPAZRHYGVLC-JTQLQIEISA-N -1 0 281.312 2.457 20 5 CEBDRM CCC(CC)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000162332839 367153186 /nfs/dbraw/zinc/15/31/86/367153186.db2.gz HFTZFPKZRCZRNW-UHFFFAOYSA-N -1 0 253.258 2.289 20 5 CEBDRM C[C@H]1CCC[C@H]1Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166761453 367328770 /nfs/dbraw/zinc/32/87/70/367328770.db2.gz RQRAJNNIHNOEES-JGVFFNPUSA-N -1 0 265.269 2.289 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000183344651 368622912 /nfs/dbraw/zinc/62/29/12/368622912.db2.gz VQQTVASBIUHISD-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000185399798 368802078 /nfs/dbraw/zinc/80/20/78/368802078.db2.gz MLKLLYBEHIHHRD-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccon3)no2)cc1[O-] ZINC000350644391 369561678 /nfs/dbraw/zinc/56/16/78/369561678.db2.gz GOFHHZXIPWBQNN-UHFFFAOYSA-N -1 0 274.192 2.005 20 5 CEBDRM COc1cc(N2CCC[C@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000227855124 370386064 /nfs/dbraw/zinc/38/60/64/370386064.db2.gz CRFHBBKOAOLMPJ-QMMMGPOBSA-N -1 0 298.270 2.044 20 5 CEBDRM CCN(CC(F)(F)F)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000233455810 370519388 /nfs/dbraw/zinc/51/93/88/370519388.db2.gz PXOFVDZHHUSMCR-UHFFFAOYSA-N -1 0 292.213 2.325 20 5 CEBDRM O=C([N-]CC(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272080235 373295254 /nfs/dbraw/zinc/29/52/54/373295254.db2.gz FPYTYSHMSUGLRE-UHFFFAOYSA-N -1 0 298.167 2.365 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCOCC1 ZINC000369488937 373433853 /nfs/dbraw/zinc/43/38/53/373433853.db2.gz BAUSEYJJGWHKHT-SECBINFHSA-N -1 0 280.280 2.056 20 5 CEBDRM CCC(C)(C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000277234027 374447370 /nfs/dbraw/zinc/44/73/70/374447370.db2.gz BSPBFOUZECVMKO-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCC2(F)CCC2)n1 ZINC000563717344 377284245 /nfs/dbraw/zinc/28/42/45/377284245.db2.gz PUHCDYNSGZVBIP-UHFFFAOYSA-N -1 0 297.286 2.113 20 5 CEBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(C)C ZINC000565364037 377651141 /nfs/dbraw/zinc/65/11/41/377651141.db2.gz DDXCFLWCIKJSBS-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM CC(C)C1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000293885401 377806899 /nfs/dbraw/zinc/80/68/99/377806899.db2.gz IWFSMNXXXDCQKB-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000295538220 378201831 /nfs/dbraw/zinc/20/18/31/378201831.db2.gz CIVDTPITANHPJY-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM O=[N+]([O-])c1ccccc1CCN=c1[n-]c(C2CCC2)no1 ZINC000450356915 378374060 /nfs/dbraw/zinc/37/40/60/378374060.db2.gz IYHGTRGNGAEZEG-UHFFFAOYSA-N -1 0 288.307 2.322 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000456319836 379385193 /nfs/dbraw/zinc/38/51/93/379385193.db2.gz OKLPAXNBIPTXEM-ONGXEEELSA-N -1 0 278.308 2.322 20 5 CEBDRM CC1(C)CC(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000547728388 380460099 /nfs/dbraw/zinc/46/00/99/380460099.db2.gz FFFZTKDSORWQGJ-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575062410 299554351 /nfs/dbraw/zinc/55/43/51/299554351.db2.gz KIWXTRNRIHEVSM-OCAPTIKFSA-N -1 0 265.269 2.065 20 5 CEBDRM Cc1cnc(NC2(CC(=O)[O-])CCC2)c([N+](=O)[O-])c1 ZINC000094291424 184776903 /nfs/dbraw/zinc/77/69/03/184776903.db2.gz PUPRZYDNZADHMP-UHFFFAOYSA-N -1 0 265.269 2.108 20 5 CEBDRM Cc1ccnc(NC[C@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000094703581 184843928 /nfs/dbraw/zinc/84/39/28/184843928.db2.gz KWHRXUBTHOTJTG-JTQLQIEISA-N -1 0 281.312 2.457 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000261729794 131165240 /nfs/dbraw/zinc/16/52/40/131165240.db2.gz QZSAVZVSOLLMNY-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM O=C(Nc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130261937 394884353 /nfs/dbraw/zinc/88/43/53/394884353.db2.gz YBIQLTVMWZEFEZ-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC(C)C1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436611064 395134202 /nfs/dbraw/zinc/13/42/02/395134202.db2.gz UTOXQPTUEMTLCR-UHFFFAOYSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436997318 395172912 /nfs/dbraw/zinc/17/29/12/395172912.db2.gz IDBWKNSRFZWAAR-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000437007117 395174319 /nfs/dbraw/zinc/17/43/19/395174319.db2.gz ZFTNYVMIWROHIW-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000443917995 395406032 /nfs/dbraw/zinc/40/60/32/395406032.db2.gz TXICIZQMOUCUQF-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000567866013 395537296 /nfs/dbraw/zinc/53/72/96/395537296.db2.gz LYZGPUGDVCXVTF-UWVGGRQHSA-N -1 0 264.281 2.142 20 5 CEBDRM CCC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000573687288 395615561 /nfs/dbraw/zinc/61/55/61/395615561.db2.gz BMQORMHKKKNJRB-LLVKDONJSA-N -1 0 294.307 2.298 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1C ZINC000119440670 296540278 /nfs/dbraw/zinc/54/02/78/296540278.db2.gz YUMFBBCUHPYEER-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281098831 299754263 /nfs/dbraw/zinc/75/42/63/299754263.db2.gz FQAKZTYGVAGMEB-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000230176931 153385151 /nfs/dbraw/zinc/38/51/51/153385151.db2.gz BEYNFJUNRCZFJZ-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1NCCCC(=O)[O-] ZINC000263430373 154085246 /nfs/dbraw/zinc/08/52/46/154085246.db2.gz SNKAAJAOYBBCAD-UHFFFAOYSA-N -1 0 266.253 2.074 20 5 CEBDRM CCCC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000020278747 171132982 /nfs/dbraw/zinc/13/29/82/171132982.db2.gz JWKOPUSOAVTPDK-VIFPVBQESA-N -1 0 253.258 2.045 20 5 CEBDRM O=C([O-])CSc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186012 172040389 /nfs/dbraw/zinc/04/03/89/172040389.db2.gz ZKUQYFHULAZITK-UHFFFAOYSA-N -1 0 264.262 2.320 20 5 CEBDRM CSCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000071530288 176194799 /nfs/dbraw/zinc/19/47/99/176194799.db2.gz GNIXTMBCFCCIEH-UHFFFAOYSA-N -1 0 270.310 2.382 20 5 CEBDRM O=c1[n-]c(Sc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000193533118 270286325 /nfs/dbraw/zinc/28/63/25/270286325.db2.gz JCZXOFQZEXJLKN-UHFFFAOYSA-N -1 0 272.673 2.223 20 5 CEBDRM CC(C)[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225816753 270309476 /nfs/dbraw/zinc/30/94/76/270309476.db2.gz GAHYBVZTRRYTFX-VIFPVBQESA-N -1 0 266.297 2.322 20 5 CEBDRM C[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000225816874 270309484 /nfs/dbraw/zinc/30/94/84/270309484.db2.gz SQYRNHZULREXTI-BDAKNGLRSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000225816897 270309566 /nfs/dbraw/zinc/30/95/66/270309566.db2.gz SQYRNHZULREXTI-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM CN(Cc1ccoc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225798609 270309617 /nfs/dbraw/zinc/30/96/17/270309617.db2.gz UBJDFUWIANICFB-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM C[C@H]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000230428923 270313882 /nfs/dbraw/zinc/31/38/82/270313882.db2.gz LCFBSKMPTLUHDV-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@@H]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000230428921 270313917 /nfs/dbraw/zinc/31/39/17/270313917.db2.gz LCFBSKMPTLUHDV-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000235636384 270315555 /nfs/dbraw/zinc/31/55/55/270315555.db2.gz FPCZCHYFNQDXOS-DTWKUNHWSA-N -1 0 264.281 2.219 20 5 CEBDRM [NH3+]C1(c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)CCCCC1 ZINC000424340800 271049832 /nfs/dbraw/zinc/04/98/32/271049832.db2.gz HUWVFCLLKRYOBF-UHFFFAOYSA-N -1 0 277.284 2.091 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436961073 271697069 /nfs/dbraw/zinc/69/70/69/271697069.db2.gz FVRMESQWRQHIFM-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM O=C(NCC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000120624392 279759454 /nfs/dbraw/zinc/75/94/54/279759454.db2.gz ZOEKSCHMGPKLDI-UHFFFAOYSA-N -1 0 276.292 2.220 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)[C@H](C)O1 ZINC000339112771 288211471 /nfs/dbraw/zinc/21/14/71/288211471.db2.gz TVDRYMZGWOLAQF-MXWKQRLJSA-N -1 0 280.324 2.298 20 5 CEBDRM CC(C)[C@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316449 280386869 /nfs/dbraw/zinc/38/68/69/280386869.db2.gz JTTCUURVZKOTQL-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM CCC(=O)c1ccc(N2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263425015 281972857 /nfs/dbraw/zinc/97/28/57/281972857.db2.gz QUQKZBLRKLSCOG-NSHDSACASA-N -1 0 292.291 2.241 20 5 CEBDRM COC(C)(C)CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000404265100 289292389 /nfs/dbraw/zinc/29/23/89/289292389.db2.gz ZRKIKFXLMHNMBR-UHFFFAOYSA-N -1 0 282.296 2.154 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000456314446 289585578 /nfs/dbraw/zinc/58/55/78/289585578.db2.gz LYYDRSJUVMFMJP-ONGXEEELSA-N -1 0 278.308 2.322 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263241859 295254505 /nfs/dbraw/zinc/25/45/05/295254505.db2.gz RSSHQDDXOYTLGU-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM COc1cccc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263275756 295306462 /nfs/dbraw/zinc/30/64/62/295306462.db2.gz WOWUSUHVGPTVQR-UWVGGRQHSA-N -1 0 294.307 2.150 20 5 CEBDRM CO[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000566293469 298963833 /nfs/dbraw/zinc/96/38/33/298963833.db2.gz UNUPKIZZVIRTQQ-SECBINFHSA-N -1 0 297.311 2.161 20 5 CEBDRM Cc1cc(NC[C@H]2CCC[C@@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566563459 299003523 /nfs/dbraw/zinc/00/35/23/299003523.db2.gz IOQCPCARMUIZMD-SKDRFNHKSA-N -1 0 294.307 2.174 20 5 CEBDRM C[C@]1(F)CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000566622446 299009384 /nfs/dbraw/zinc/00/93/84/299009384.db2.gz USRWQLICNLKTEU-LBPRGKRZSA-N -1 0 283.259 2.016 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000045340151 302363766 /nfs/dbraw/zinc/36/37/66/302363766.db2.gz QXWWJTDQVMOPAL-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1cc(N(C)[C@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000564658690 313772893 /nfs/dbraw/zinc/77/28/93/313772893.db2.gz KDHGFXVHMUYGRP-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(NC[C@@]2(C)CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570634901 314049937 /nfs/dbraw/zinc/04/99/37/314049937.db2.gz NXXLTUNQNWXEGM-CQSZACIVSA-N -1 0 294.307 2.440 20 5 CEBDRM CCC(=O)c1ccc(N[C@H](CC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000571505487 314094041 /nfs/dbraw/zinc/09/40/41/314094041.db2.gz BDMKNYSVYFTIEX-SECBINFHSA-N -1 0 280.280 2.463 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C)c2ccon2)n1 ZINC000575319111 314217379 /nfs/dbraw/zinc/21/73/79/314217379.db2.gz GXCXUCMAYUEHIN-ZETCQYMHSA-N -1 0 292.251 2.158 20 5 CEBDRM C[C@H](C[C@@H]1CCCO1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576520971 314283776 /nfs/dbraw/zinc/28/37/76/314283776.db2.gz QFZLKYLYETZIOM-SCZZXKLOSA-N -1 0 295.295 2.058 20 5 CEBDRM CC(C)[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576876112 314318544 /nfs/dbraw/zinc/31/85/44/314318544.db2.gz QAMUUZJPTHEMPW-BXKDBHETSA-N -1 0 294.307 2.129 20 5 CEBDRM Cc1cc(N2CCO[C@H](C)[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578239908 314460818 /nfs/dbraw/zinc/46/08/18/314460818.db2.gz YRYLNSDAMYKGDS-NXEZZACHSA-N -1 0 294.307 2.215 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000006224191 321693385 /nfs/dbraw/zinc/69/33/85/321693385.db2.gz UYESJBWVSXLQHH-LDYMZIIASA-N -1 0 295.295 2.216 20 5 CEBDRM CC[C@H](C)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000381717025 321836035 /nfs/dbraw/zinc/83/60/35/321836035.db2.gz SUWYWZJFKQBBBM-WPRPVWTQSA-N -1 0 297.311 2.161 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000581586650 322408163 /nfs/dbraw/zinc/40/81/63/322408163.db2.gz ZFIOUCKDIKPDMR-VSQXVHSFSA-N -1 0 292.291 2.052 20 5 CEBDRM COc1cccc(N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000582181073 322453296 /nfs/dbraw/zinc/45/32/96/322453296.db2.gz FAPWSKIGRNDWFD-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000211913464 326866337 /nfs/dbraw/zinc/86/63/37/326866337.db2.gz MIMCGHBHCOMOJV-RKDXNWHRSA-N -1 0 264.281 2.385 20 5 CEBDRM C[C@H](O)C[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397811085 329397424 /nfs/dbraw/zinc/39/74/24/329397424.db2.gz IZUDTOGCETZYGR-IUCAKERBSA-N -1 0 282.296 2.112 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000584447248 329484966 /nfs/dbraw/zinc/48/49/66/329484966.db2.gz CLDBUAIKAQSMNL-OTDNITJGSA-N -1 0 293.279 2.136 20 5 CEBDRM O=C(NCCc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163959260 534477121 /nfs/dbraw/zinc/47/71/21/534477121.db2.gz HXOHUZNBSBINDU-UHFFFAOYSA-N -1 0 286.287 2.273 20 5 CEBDRM O=c1[n-]c(Sc2ccc([N+](=O)[O-])c3cnccc23)n[nH]1 ZINC000192750116 534882914 /nfs/dbraw/zinc/88/29/14/534882914.db2.gz CDDGAMLOECDSGH-UHFFFAOYSA-N -1 0 289.276 2.118 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCCCCCC(=O)[O-])n1 ZINC000162560958 526059490 /nfs/dbraw/zinc/05/94/90/526059490.db2.gz YQEWTPQRLCWSTB-UHFFFAOYSA-N -1 0 267.285 2.355 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000092026461 536027049 /nfs/dbraw/zinc/02/70/49/536027049.db2.gz OQZIBLNSBVOCHB-CQSZACIVSA-N -1 0 293.323 2.379 20 5 CEBDRM O=C([O-])c1cc(OCC(=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000740088689 574440826 /nfs/dbraw/zinc/44/08/26/574440826.db2.gz UMHRZFKMJHPYTQ-UHFFFAOYSA-N -1 0 293.275 2.431 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000738574832 574480400 /nfs/dbraw/zinc/48/04/00/574480400.db2.gz YDDXZBIUUUCDOY-UHFFFAOYSA-N -1 0 267.237 2.007 20 5 CEBDRM CC(C)[C@@H](CNc1ccsc1[N+](=O)[O-])NC(=O)[O-] ZINC000738786705 574706921 /nfs/dbraw/zinc/70/69/21/574706921.db2.gz CBBFUYVUYDKOTB-MRVPVSSYSA-N -1 0 273.314 2.360 20 5 CEBDRM O=C(OCCOc1ccccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000734734554 574728451 /nfs/dbraw/zinc/72/84/51/574728451.db2.gz BSBFSHQTDXGMLR-UHFFFAOYSA-N -1 0 294.238 2.298 20 5 CEBDRM C[C@@H](CSCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000736614760 574793176 /nfs/dbraw/zinc/79/31/76/574793176.db2.gz ZTCZQEGZWHBRCM-VIFPVBQESA-N -1 0 285.321 2.428 20 5 CEBDRM C[C@H](CSCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000736614759 574793183 /nfs/dbraw/zinc/79/31/83/574793183.db2.gz ZTCZQEGZWHBRCM-SECBINFHSA-N -1 0 285.321 2.428 20 5 CEBDRM C[C@@H](CO)CSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736606225 574793263 /nfs/dbraw/zinc/79/32/63/574793263.db2.gz BFMICOJVWOVGTQ-SGRBOOSSSA-N -1 0 297.332 2.413 20 5 CEBDRM CN(CCCC(=O)OCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000737438228 574834210 /nfs/dbraw/zinc/83/42/10/574834210.db2.gz HACGYVKBHZLTJW-UHFFFAOYSA-N -1 0 296.279 2.028 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](NC(=O)[O-])C1 ZINC000738310710 574857653 /nfs/dbraw/zinc/85/76/53/574857653.db2.gz NRAFMJLIWABFLX-SNVBAGLBSA-N -1 0 279.296 2.140 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N[C@H]1CCCN(C(=O)[O-])C1 ZINC000738746909 574876243 /nfs/dbraw/zinc/87/62/43/574876243.db2.gz NMTDRPYLTZEEKG-JTQLQIEISA-N -1 0 279.296 2.458 20 5 CEBDRM C[C@@H](Nc1cccnc1[N+](=O)[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739037035 574890690 /nfs/dbraw/zinc/89/06/90/574890690.db2.gz OBZRKAVGORHLKZ-NXEZZACHSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739192421 574898833 /nfs/dbraw/zinc/89/88/33/574898833.db2.gz KBQCSKIRSAOHQP-WCBMZHEXSA-N -1 0 297.286 2.216 20 5 CEBDRM CCN(CCNc1ccc(C(C)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000739440132 574918742 /nfs/dbraw/zinc/91/87/42/574918742.db2.gz SYKQRRNMSKSZTA-UHFFFAOYSA-N -1 0 295.295 2.209 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000739585737 574927493 /nfs/dbraw/zinc/92/74/93/574927493.db2.gz DGXADYBNCQRMEP-JTQLQIEISA-N -1 0 297.286 2.313 20 5 CEBDRM O=C([O-])N1CCC(CNc2ccsc2[N+](=O)[O-])CC1 ZINC000740497483 574956293 /nfs/dbraw/zinc/95/62/93/574956293.db2.gz YMHMDOAUOGSIFY-UHFFFAOYSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C([O-])N1CC[C@H](CCNc2ccccc2[N+](=O)[O-])C1 ZINC000740496479 574956418 /nfs/dbraw/zinc/95/64/18/574956418.db2.gz FHOKVDTZFGOVSF-JTQLQIEISA-N -1 0 279.296 2.397 20 5 CEBDRM O=C([O-])NC[C@H]1CCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000740625270 574962052 /nfs/dbraw/zinc/96/20/52/574962052.db2.gz KHEOQKMCWCCYCL-NXEZZACHSA-N -1 0 279.296 2.443 20 5 CEBDRM CO[C@@]1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1(C)C ZINC000747330243 575169485 /nfs/dbraw/zinc/16/94/85/575169485.db2.gz MSWBUKQMYXDOGN-ZANVPECISA-N -1 0 282.296 2.283 20 5 CEBDRM O=C([O-])c1ccc2c(c1)CN(c1ncccc1[N+](=O)[O-])C2 ZINC000156623081 600005983 /nfs/dbraw/zinc/00/59/83/600005983.db2.gz XUWUZCVLOZUPNY-UHFFFAOYSA-N -1 0 285.259 2.208 20 5 CEBDRM O=C([O-])[C@@H](Oc1cccnc1[N+](=O)[O-])c1ccccc1F ZINC000833171133 600834623 /nfs/dbraw/zinc/83/46/23/600834623.db2.gz VRZYVKKEIXPGME-NSHDSACASA-N -1 0 292.222 2.334 20 5 CEBDRM C[C@@H](SCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827909305 601345927 /nfs/dbraw/zinc/34/59/27/601345927.db2.gz WWOGRDNLPOGZTL-MRVPVSSYSA-N -1 0 271.294 2.180 20 5 CEBDRM C/C(=C/COC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000825781704 601422292 /nfs/dbraw/zinc/42/22/92/601422292.db2.gz YJTCIVGSWUQKJD-YVMONPNESA-N -1 0 279.248 2.091 20 5 CEBDRM C/C(=C\COC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000825769877 601428303 /nfs/dbraw/zinc/42/83/03/601428303.db2.gz SZBUZOKJXRWEMZ-WEVVVXLNSA-N -1 0 279.248 2.091 20 5 CEBDRM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827949734 601442500 /nfs/dbraw/zinc/44/25/00/601442500.db2.gz OETKTHWAZNMUAH-ZANVPECISA-N -1 0 282.271 2.154 20 5 CEBDRM Cc1ccc(NC(=O)NCC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000164901366 601749832 /nfs/dbraw/zinc/74/98/32/601749832.db2.gz JIENIKVMJNGGOG-UHFFFAOYSA-N -1 0 295.295 2.136 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000828664918 602025962 /nfs/dbraw/zinc/02/59/62/602025962.db2.gz KZZWVSUMZWGZOW-CYBMUJFWSA-N -1 0 282.296 2.033 20 5 CEBDRM CC[C@H](NC(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000739531758 602333642 /nfs/dbraw/zinc/33/36/42/602333642.db2.gz FTPGROTXVFJCGO-VIFPVBQESA-N -1 0 295.295 2.196 20 5 CEBDRM CCC[C@H](NC(=O)[O-])C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000739327467 602670779 /nfs/dbraw/zinc/67/07/79/602670779.db2.gz FFTJCVDKCDOZFO-NSHDSACASA-N -1 0 296.279 2.074 20 5 CEBDRM C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1C(=O)[O-] ZINC000826081851 603192879 /nfs/dbraw/zinc/19/28/79/603192879.db2.gz DPWUWNZRHMMMHU-MRVPVSSYSA-N -1 0 299.714 2.437 20 5 CEBDRM Cc1cc(N2CCC[C@@H]2CN(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000830086297 603203570 /nfs/dbraw/zinc/20/35/70/603203570.db2.gz ZYGRGISFSOJQHW-GFCCVEGCSA-N -1 0 293.323 2.482 20 5 CEBDRM Cc1cnc(N[C@@H]2CCC[C@@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000830634018 603208654 /nfs/dbraw/zinc/20/86/54/603208654.db2.gz HNQFIRAWVKWBBY-NXEZZACHSA-N -1 0 294.311 2.146 20 5 CEBDRM C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000825637577 603564848 /nfs/dbraw/zinc/56/48/48/603564848.db2.gz DVUGVWFHLCFBDG-GHMZBOCLSA-N -1 0 293.323 2.340 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N(C)CC(C)(C)CNC(=O)[O-] ZINC000830138554 603579924 /nfs/dbraw/zinc/57/99/24/603579924.db2.gz WRKLMEQEMRZSDA-UHFFFAOYSA-N -1 0 296.327 2.028 20 5 CEBDRM CN(CC(C)(C)CNC(=O)[O-])c1ccsc1[N+](=O)[O-] ZINC000828155112 603581452 /nfs/dbraw/zinc/58/14/52/603581452.db2.gz UYZBNYSUQVBWFR-UHFFFAOYSA-N -1 0 287.341 2.386 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)[O-])CC1 ZINC000117364950 603883122 /nfs/dbraw/zinc/88/31/22/603883122.db2.gz IADSPUZSXATVSD-UHFFFAOYSA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000830427645 604891657 /nfs/dbraw/zinc/89/16/57/604891657.db2.gz LQMTYCMJZMWOAX-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM C[C@H](Sc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000235576237 604949229 /nfs/dbraw/zinc/94/92/29/604949229.db2.gz XYHYTRIEZOKHCX-BYPYZUCNSA-N -1 0 263.221 2.438 20 5 CEBDRM C[C@H](CN(C)c1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000833516187 605061190 /nfs/dbraw/zinc/06/11/90/605061190.db2.gz HKYPZACFWZPDSF-SSDOTTSWSA-N -1 0 295.320 2.361 20 5 CEBDRM O=C([O-])c1occc1CNCc1ccccc1[N+](=O)[O-] ZINC000236476025 605078297 /nfs/dbraw/zinc/07/82/97/605078297.db2.gz PISNGXFMNISTJW-UHFFFAOYSA-N -1 0 276.248 2.176 20 5 CEBDRM CCn1cc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cn1 ZINC000211954457 605177433 /nfs/dbraw/zinc/17/74/33/605177433.db2.gz JEXAFTVPCLFEKA-UHFFFAOYSA-N -1 0 276.252 2.253 20 5 CEBDRM CC(C)(C)OCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000162797128 605205183 /nfs/dbraw/zinc/20/51/83/605205183.db2.gz HUNBUJCTFPVGEG-UHFFFAOYSA-N -1 0 283.280 2.487 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000825843535 605490379 /nfs/dbraw/zinc/49/03/79/605490379.db2.gz ATBFWXRCMZQDLA-VHSXEESVSA-N -1 0 279.296 2.220 20 5 CEBDRM C/C(=C\Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000833383635 605581044 /nfs/dbraw/zinc/58/10/44/605581044.db2.gz LRZKPHNYEAKJQY-VMPITWQZSA-N -1 0 275.264 2.284 20 5 CEBDRM C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000890769919 622951460 /nfs/dbraw/zinc/95/14/60/622951460.db2.gz KPZKXUDKOPVTAV-MWLCHTKSSA-N -1 0 276.292 2.385 20 5 CEBDRM O=C([O-])c1ccnc(N2CCCCCCC2)c1[N+](=O)[O-] ZINC000312238902 628193523 /nfs/dbraw/zinc/19/35/23/628193523.db2.gz CBAZWFLZCBIODR-UHFFFAOYSA-N -1 0 279.296 2.459 20 5 CEBDRM CO[C@@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000899349511 632799145 /nfs/dbraw/zinc/79/91/45/632799145.db2.gz DNSFYEZXRGUJPS-ZETCQYMHSA-N -1 0 297.698 2.376 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H]1C1CC1 ZINC000900401088 633702606 /nfs/dbraw/zinc/70/26/06/633702606.db2.gz VHEMCPRQIOPIQP-WDEREUQCSA-N -1 0 294.282 2.281 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)CC2(F)CC2)cc1[N+](=O)[O-] ZINC000903615576 635180578 /nfs/dbraw/zinc/18/05/78/635180578.db2.gz DESUEYBZAYGGJU-UHFFFAOYSA-N -1 0 288.300 2.147 20 5 CEBDRM O=C([N-]OC1CCCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830018857 636970974 /nfs/dbraw/zinc/97/09/74/636970974.db2.gz YLAPOAXZDXUQPC-ZDUSSCGKSA-N -1 0 294.307 2.009 20 5 CEBDRM O=C([N-]OC1CCCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830018856 636971460 /nfs/dbraw/zinc/97/14/60/636971460.db2.gz YLAPOAXZDXUQPC-CYBMUJFWSA-N -1 0 294.307 2.009 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000830474171 637080140 /nfs/dbraw/zinc/08/01/40/637080140.db2.gz JNIYLHQATYAZER-MRVPVSSYSA-N -1 0 268.269 2.103 20 5 CEBDRM CO[C@@H](C)CCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837628113 639315678 /nfs/dbraw/zinc/31/56/78/639315678.db2.gz PWLKBFCUTDWOAH-VIFPVBQESA-N -1 0 283.280 2.159 20 5 CEBDRM C[C@H](CC(=O)[O-])Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000841505041 639777992 /nfs/dbraw/zinc/77/79/92/639777992.db2.gz ZXIAKOXEYYKNGN-ZCFIWIBFSA-N -1 0 281.293 2.480 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N(C)CCCC(=O)[O-] ZINC000841503407 639778478 /nfs/dbraw/zinc/77/84/78/639778478.db2.gz JSANIIYTPCVWFM-UHFFFAOYSA-N -1 0 282.296 2.042 20 5 CEBDRM C[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000844209080 640632585 /nfs/dbraw/zinc/63/25/85/640632585.db2.gz FHXKSUQJBQZPTN-AOOOYVTPSA-N -1 0 278.308 2.314 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000844217109 640635142 /nfs/dbraw/zinc/63/51/42/640635142.db2.gz ZLVQYDBYVJWPNM-DUMNWFOQSA-N -1 0 292.291 2.284 20 5 CEBDRM COc1cccc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000918492744 640964565 /nfs/dbraw/zinc/96/45/65/640964565.db2.gz PSXFMLGAJKHAAT-UHFFFAOYSA-N -1 0 276.248 2.289 20 5 CEBDRM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]Oc1ccccc1 ZINC000773465441 642740435 /nfs/dbraw/zinc/74/04/35/642740435.db2.gz DVKPLBCPJRMVMI-UHFFFAOYSA-N -1 0 272.260 2.248 20 5 CEBDRM CON(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCC1 ZINC000757656159 644831524 /nfs/dbraw/zinc/83/15/24/644831524.db2.gz IIASHVQHRKSDKZ-UHFFFAOYSA-N -1 0 280.280 2.247 20 5 CEBDRM CO[C@@H]1CC[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000864513893 647032831 /nfs/dbraw/zinc/03/28/31/647032831.db2.gz INIWVXBOTMMMIZ-MWLCHTKSSA-N -1 0 294.307 2.297 20 5 CEBDRM O=C(COc1cccc([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC000777963604 647193385 /nfs/dbraw/zinc/19/33/85/647193385.db2.gz DLVBTYBAMKRDSQ-UHFFFAOYSA-N -1 0 294.307 2.354 20 5 CEBDRM CC[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000779302957 647308910 /nfs/dbraw/zinc/30/89/10/647308910.db2.gz MWHQYCRSKVYLMM-IUCAKERBSA-N -1 0 268.269 2.037 20 5 CEBDRM CSCC[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780531710 647440234 /nfs/dbraw/zinc/44/02/34/647440234.db2.gz GIGMKBXXZLSQHR-QMMMGPOBSA-N -1 0 284.337 2.172 20 5 CEBDRM COC(=O)c1c[nH]c(S/C=C\c2ccc([N+](=O)[O-])o2)n1 ZINC000789966166 648363501 /nfs/dbraw/zinc/36/35/01/648363501.db2.gz FNUQTCKQWKFWFI-PLNGDYQASA-N -1 0 295.276 2.461 20 5 CEBDRM O=C(Nc1ccc(O)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000791384504 648514280 /nfs/dbraw/zinc/51/42/80/648514280.db2.gz HKIRSBYVOBPTET-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(F)CC1 ZINC000880238665 651406720 /nfs/dbraw/zinc/40/67/20/651406720.db2.gz KMTGCJDGQKNXBB-UHFFFAOYSA-N -1 0 254.261 2.234 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1(C(F)F)CC1 ZINC000697626601 806611718 /nfs/dbraw/zinc/61/17/18/806611718.db2.gz BAGNBUWPYLWOIS-UHFFFAOYSA-N -1 0 272.207 2.284 20 5 CEBDRM C[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000693433731 802908332 /nfs/dbraw/zinc/90/83/32/802908332.db2.gz XRWAYJPRNNDRAR-IUCAKERBSA-N -1 0 282.271 2.281 20 5 CEBDRM C[C@H](Oc1cc([O-])ccc1[N+](=O)[O-])c1ncccn1 ZINC001225488865 804885764 /nfs/dbraw/zinc/88/57/64/804885764.db2.gz MOZUTTKSUNAYHG-QMMMGPOBSA-N -1 0 261.237 2.230 20 5 CEBDRM Cc1cc(NC2CC(C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000703467629 809651540 /nfs/dbraw/zinc/65/15/40/809651540.db2.gz RFMOQTAAQVFIDX-UHFFFAOYSA-N -1 0 268.244 2.317 20 5 CEBDRM O=C([O-])c1cc(N2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000711415205 810069182 /nfs/dbraw/zinc/06/91/82/810069182.db2.gz OQNPGYSBEHRFAM-QMMMGPOBSA-N -1 0 268.244 2.089 20 5 CEBDRM Cc1c(NCc2cc(=O)[n-]o2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169485607 811531104 /nfs/dbraw/zinc/53/11/04/811531104.db2.gz QQKHFEBBXORANX-UHFFFAOYSA-N -1 0 294.223 2.117 20 5 CEBDRM CCCCCc1nnc(-c2cnc([N+](=O)[O-])c([O-])c2)o1 ZINC001256124174 814135764 /nfs/dbraw/zinc/13/57/64/814135764.db2.gz ZCDAWNXOJGUCGN-UHFFFAOYSA-N -1 0 278.268 2.478 20 5 CEBDRM Cc1nn(C)c(C)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176671645 816452505 /nfs/dbraw/zinc/45/25/05/816452505.db2.gz ALGCAXGLFUCLNX-UHFFFAOYSA-N -1 0 290.279 2.387 20 5 CEBDRM O=C([O-])CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084552 361808188 /nfs/dbraw/zinc/80/81/88/361808188.db2.gz OYZYIHIKVUDFKZ-UHFFFAOYSA-N -1 0 275.264 2.420 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1C(=O)[O-] ZINC000044749902 343477315 /nfs/dbraw/zinc/47/73/15/343477315.db2.gz BUJQGKMGPUUTRQ-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000153445736 344429644 /nfs/dbraw/zinc/42/96/44/344429644.db2.gz RYEDAJMHDFPESY-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C([O-])C1(CNc2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000306105005 344711647 /nfs/dbraw/zinc/71/16/47/344711647.db2.gz QZUHUXLDHCJPCD-UHFFFAOYSA-N -1 0 268.244 2.401 20 5 CEBDRM C[C@@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054054743 362507533 /nfs/dbraw/zinc/50/75/33/362507533.db2.gz GYDDHAFXYXOLDK-QMMMGPOBSA-N -1 0 275.264 2.052 20 5 CEBDRM O=C(N[C@H]1CCCC1(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588789404 345055722 /nfs/dbraw/zinc/05/57/22/345055722.db2.gz XMPVVTLUGRUKOJ-JTQLQIEISA-N -1 0 286.234 2.218 20 5 CEBDRM C[C@@H]1CCN(c2sccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000592421076 345351129 /nfs/dbraw/zinc/35/11/29/345351129.db2.gz LVUVNSWEIPWTAC-SFYZADRCSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C[C@@H]1C(=O)[O-] ZINC000592421663 345351355 /nfs/dbraw/zinc/35/13/55/345351355.db2.gz TYUDUTMTIRHJEL-SFYZADRCSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000592903817 345413710 /nfs/dbraw/zinc/41/37/10/345413710.db2.gz PSETZQSKEWHPMM-OPRDCNLKSA-N -1 0 276.292 2.219 20 5 CEBDRM Cc1cc(NCC(C)(C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968550 345417105 /nfs/dbraw/zinc/41/71/05/345417105.db2.gz QPZOWDVKLHWBTK-UHFFFAOYSA-N -1 0 282.296 2.032 20 5 CEBDRM Cn1nccc1CSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593191455 345451820 /nfs/dbraw/zinc/45/18/20/345451820.db2.gz XUUZBBMRQRJYAD-UHFFFAOYSA-N -1 0 279.321 2.467 20 5 CEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(F)F ZINC000592826223 345400489 /nfs/dbraw/zinc/40/04/89/345400489.db2.gz PEPNAGFAPLEUBS-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000593326491 345467164 /nfs/dbraw/zinc/46/71/64/345467164.db2.gz FMOFXVVLMHHQHG-LBPRGKRZSA-N -1 0 289.291 2.442 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC(F)(F)C1 ZINC000593789434 345539218 /nfs/dbraw/zinc/53/92/18/345539218.db2.gz IYQAXGHXDSHVGU-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000593884464 345548169 /nfs/dbraw/zinc/54/81/69/345548169.db2.gz ZNDXHZSGZCSHRI-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1cnc(NC[C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000594734619 345681085 /nfs/dbraw/zinc/68/10/85/345681085.db2.gz CSASJSIIXWPTMC-JTQLQIEISA-N -1 0 279.296 2.211 20 5 CEBDRM CC(C)(C)OCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594736571 345682218 /nfs/dbraw/zinc/68/22/18/345682218.db2.gz SBFUXUJXDOOXTA-UHFFFAOYSA-N -1 0 297.311 2.305 20 5 CEBDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595995873 345921800 /nfs/dbraw/zinc/92/18/00/345921800.db2.gz SWBGZQSAUXMPSW-ZDUSSCGKSA-N -1 0 278.264 2.034 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]2C[C@H]2C1 ZINC000597441339 346185921 /nfs/dbraw/zinc/18/59/21/346185921.db2.gz GPSUSKVUHXMJRV-BRPSZJMVSA-N -1 0 262.265 2.285 20 5 CEBDRM CCSC1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000598326999 346326792 /nfs/dbraw/zinc/32/67/92/346326792.db2.gz AAJFBFJEOFHRTA-UHFFFAOYSA-N -1 0 296.348 2.316 20 5 CEBDRM CC[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C1CC1 ZINC000598232481 346312222 /nfs/dbraw/zinc/31/22/22/346312222.db2.gz GFATVXVTPFKJQH-JTQLQIEISA-N -1 0 264.281 2.219 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598549807 346373369 /nfs/dbraw/zinc/37/33/69/346373369.db2.gz DQVUYVSERLIJEX-VIFPVBQESA-N -1 0 278.308 2.419 20 5 CEBDRM CCC[C@H](OCC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000599714184 346573432 /nfs/dbraw/zinc/57/34/32/346573432.db2.gz SWSCTODGOWPBEG-LBPRGKRZSA-N -1 0 282.296 2.444 20 5 CEBDRM CCC[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OCC ZINC000600175080 346615263 /nfs/dbraw/zinc/61/52/63/346615263.db2.gz OSRJYTAPCDMDML-SNVBAGLBSA-N -1 0 296.323 2.235 20 5 CEBDRM CCC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OCC ZINC000600174676 346615277 /nfs/dbraw/zinc/61/52/77/346615277.db2.gz MDDFIEHOUNPMBJ-SNVBAGLBSA-N -1 0 296.323 2.235 20 5 CEBDRM CCC[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OCC ZINC000600678096 346672052 /nfs/dbraw/zinc/67/20/52/346672052.db2.gz LHRMIPDHRDWGFS-SECBINFHSA-N -1 0 297.311 2.305 20 5 CEBDRM CC(C)(F)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000600943399 346713714 /nfs/dbraw/zinc/71/37/14/346713714.db2.gz ZURKJWPDXVRYMS-UHFFFAOYSA-N -1 0 270.260 2.382 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCCn2nccc21 ZINC000601173922 346777716 /nfs/dbraw/zinc/77/77/16/346777716.db2.gz MLRQHRMTYUSARM-GFCCVEGCSA-N -1 0 288.307 2.122 20 5 CEBDRM Cc1cc(N(C)C[C@H](C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000336814608 365854590 /nfs/dbraw/zinc/85/45/90/365854590.db2.gz GAGZRYLVWCLOJC-QMMMGPOBSA-N -1 0 270.260 2.199 20 5 CEBDRM Cn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C(F)F ZINC000611143848 347744096 /nfs/dbraw/zinc/74/40/96/347744096.db2.gz WLJTYKXEYKBJRB-UHFFFAOYSA-N -1 0 269.211 2.405 20 5 CEBDRM Cc1noc(C)c1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000611220015 347753308 /nfs/dbraw/zinc/75/33/08/347753308.db2.gz DJJBTLYIOBWZQP-UHFFFAOYSA-N -1 0 291.263 2.182 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1nccs1 ZINC000618393295 348938003 /nfs/dbraw/zinc/93/80/03/348938003.db2.gz FEWZJRBNMTYXQQ-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000411836927 233286568 /nfs/dbraw/zinc/28/65/68/233286568.db2.gz AMVGXQJBZRTYGF-OAHLLOKOSA-N -1 0 292.335 2.301 20 5 CEBDRM Cc1nc(N[C@@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000123392601 187088629 /nfs/dbraw/zinc/08/86/29/187088629.db2.gz IAWHTZDEQDSFPX-VIFPVBQESA-N -1 0 267.285 2.209 20 5 CEBDRM CC(C)[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000570725126 299275428 /nfs/dbraw/zinc/27/54/28/299275428.db2.gz NKXVIHUVEVAYGN-CYBMUJFWSA-N -1 0 294.307 2.154 20 5 CEBDRM CCC(CC)(CNc1ncccc1[N+](=O)[O-])C(=O)[O-] ZINC000137657389 366546867 /nfs/dbraw/zinc/54/68/67/366546867.db2.gz DDHZAHSPKWZWIY-UHFFFAOYSA-N -1 0 267.285 2.293 20 5 CEBDRM C[C@@H](c1cnn(C)c1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339075537 366642826 /nfs/dbraw/zinc/64/28/26/366642826.db2.gz KBQVNTCRBWGEOU-JTQLQIEISA-N -1 0 290.323 2.227 20 5 CEBDRM O=C(N[C@H]1CC=CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180039656 189234690 /nfs/dbraw/zinc/23/46/90/189234690.db2.gz FGRLXJYCYOCBCW-JTQLQIEISA-N -1 0 262.265 2.139 20 5 CEBDRM CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1C ZINC000581827592 366825702 /nfs/dbraw/zinc/82/57/02/366825702.db2.gz WGWZKFQNZZMZTD-ZANVPECISA-N -1 0 294.307 2.154 20 5 CEBDRM CCCC[C@H](NC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147248 363879285 /nfs/dbraw/zinc/87/92/85/363879285.db2.gz OOQNCFPAVRKNBI-NSHDSACASA-N -1 0 294.307 2.276 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000094659036 364287216 /nfs/dbraw/zinc/28/72/16/364287216.db2.gz KESHFODOZXPMLF-SNVBAGLBSA-N -1 0 264.281 2.347 20 5 CEBDRM CC[C@@H](Sc1ccc([N+](=O)[O-])c(C)n1)C(=O)[O-] ZINC000097824466 364520716 /nfs/dbraw/zinc/52/07/16/364520716.db2.gz UVMDGCXKLLRKTM-MRVPVSSYSA-N -1 0 256.283 2.254 20 5 CEBDRM O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000121072178 365520545 /nfs/dbraw/zinc/52/05/45/365520545.db2.gz HMRZQCBQFZKNLS-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM Cc1cc(C(=O)N=c2ccc(C3CC3)n[n-]2)ccc1[N+](=O)[O-] ZINC000341176944 367208169 /nfs/dbraw/zinc/20/81/69/367208169.db2.gz BLIQUMAZNNWGES-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM CC[C@@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166685641 367327325 /nfs/dbraw/zinc/32/73/25/367327325.db2.gz VFUWTCOBHUAEDO-SECBINFHSA-N -1 0 279.296 2.314 20 5 CEBDRM CC[C@H](O)CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572606029 299383755 /nfs/dbraw/zinc/38/37/55/299383755.db2.gz BQYNNAZOUATIGW-NSHDSACASA-N -1 0 296.323 2.185 20 5 CEBDRM Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000183917934 368657203 /nfs/dbraw/zinc/65/72/03/368657203.db2.gz YIKXKDHDPRDRSU-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CSCCCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186736775 369030269 /nfs/dbraw/zinc/03/02/69/369030269.db2.gz QQASNEOFQPMWIX-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186747431 369033903 /nfs/dbraw/zinc/03/39/03/369033903.db2.gz CBFMXIZIBOQSAS-JTQLQIEISA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232553608 370506602 /nfs/dbraw/zinc/50/66/02/370506602.db2.gz ILLFCVQRGZSMHU-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000331819058 204200552 /nfs/dbraw/zinc/20/05/52/204200552.db2.gz ODMZMQWZONRLEM-KGLIPLIRSA-N -1 0 278.308 2.054 20 5 CEBDRM C[C@@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCOC1 ZINC000361654733 372006039 /nfs/dbraw/zinc/00/60/39/372006039.db2.gz MHGXBRYKOSBWSK-CYBMUJFWSA-N -1 0 280.280 2.056 20 5 CEBDRM CC(C)CO[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000269644464 372516083 /nfs/dbraw/zinc/51/60/83/372516083.db2.gz KITFHBRMVKIIGW-UHFFFAOYSA-N -1 0 291.307 2.253 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000272630597 373589109 /nfs/dbraw/zinc/58/91/09/373589109.db2.gz BBLMZNFETWMEAB-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1cnccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000379998004 375157685 /nfs/dbraw/zinc/15/76/85/375157685.db2.gz OIDULOUDPJCWRW-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM CCC(CC)(CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000386710533 375266012 /nfs/dbraw/zinc/26/60/12/375266012.db2.gz PRCHOYLDBMXHIO-UHFFFAOYSA-N -1 0 297.311 2.305 20 5 CEBDRM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000282451326 375488034 /nfs/dbraw/zinc/48/80/34/375488034.db2.gz KCZWHRKLHCDMPX-JOAULVNJSA-N -1 0 280.280 2.052 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000062132907 304192512 /nfs/dbraw/zinc/19/25/12/304192512.db2.gz SKWBABMOPKGXER-VIFPVBQESA-N -1 0 287.275 2.054 20 5 CEBDRM Cc1nc(NCC2(C(=O)[O-])CCCCC2)ncc1[N+](=O)[O-] ZINC000563214204 377131559 /nfs/dbraw/zinc/13/15/59/377131559.db2.gz NAPMVSNSGXZHCB-UHFFFAOYSA-N -1 0 294.311 2.140 20 5 CEBDRM C[C@H]1N(Cc2cc([O-])ccc2[N+](=O)[O-])CCOC1(C)C ZINC000330457996 377141916 /nfs/dbraw/zinc/14/19/16/377141916.db2.gz RDZIURSGXKTYNZ-SNVBAGLBSA-N -1 0 280.324 2.300 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(C2CC2)no1 ZINC000442584142 377971352 /nfs/dbraw/zinc/97/13/52/377971352.db2.gz GIJUWRXKXFUUBI-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000295781526 378301277 /nfs/dbraw/zinc/30/12/77/378301277.db2.gz QCBJPNKANXSLAC-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000300268012 379159302 /nfs/dbraw/zinc/15/93/02/379159302.db2.gz MNWREHUKVXJGLT-QMMMGPOBSA-N -1 0 252.270 2.075 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000457365584 379765972 /nfs/dbraw/zinc/76/59/72/379765972.db2.gz WRVOSKQYHYSJBD-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458138360 380020419 /nfs/dbraw/zinc/02/04/19/380020419.db2.gz QZAFJAKIEVDWIS-FZMZJTMJSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000016642645 296381359 /nfs/dbraw/zinc/38/13/59/296381359.db2.gz OAXPXUISTLRWFH-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000094290563 184776906 /nfs/dbraw/zinc/77/69/06/184776906.db2.gz NUWXBWMMNDYREX-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM Cc1cc(C(=O)NCCC(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000261794127 131169249 /nfs/dbraw/zinc/16/92/49/131169249.db2.gz YCLLDDGEHTYQIY-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000261790669 131169400 /nfs/dbraw/zinc/16/94/00/131169400.db2.gz XRRFTXHCPIGPSI-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000225820209 394470398 /nfs/dbraw/zinc/47/03/98/394470398.db2.gz QXZOZTYEXMMQGF-RKDXNWHRSA-N -1 0 264.281 2.028 20 5 CEBDRM CC1=C(C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000355647328 394486801 /nfs/dbraw/zinc/48/68/01/394486801.db2.gz VDRKLDFJQPMNSW-UHFFFAOYSA-N -1 0 276.292 2.483 20 5 CEBDRM O=C(NCc1ccsc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356804322 394618308 /nfs/dbraw/zinc/61/83/08/394618308.db2.gz OHMDACNSEIUMQM-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM O=C(N[C@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436881928 395160354 /nfs/dbraw/zinc/16/03/54/395160354.db2.gz VUEDTQDKVJHTQB-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436902401 395161600 /nfs/dbraw/zinc/16/16/00/395161600.db2.gz TWQDWJHAUHDERJ-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM CC(C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436970558 395168311 /nfs/dbraw/zinc/16/83/11/395168311.db2.gz DVEXUBNMUZKSPT-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436967316 395168381 /nfs/dbraw/zinc/16/83/81/395168381.db2.gz RWNPKGUSASDXSK-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958761 395168899 /nfs/dbraw/zinc/16/88/99/395168899.db2.gz KHOAVFLBMSLQKC-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000436971808 395168940 /nfs/dbraw/zinc/16/89/40/395168940.db2.gz LBCBZJJZOYILCL-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(C)=CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000437001480 395172915 /nfs/dbraw/zinc/17/29/15/395172915.db2.gz RAFLEPCDMWQAAR-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM C[C@@]1(F)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000295647100 395298996 /nfs/dbraw/zinc/29/89/96/395298996.db2.gz ULFVOOVAWHZJPY-CYBMUJFWSA-N -1 0 282.271 2.265 20 5 CEBDRM CN(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194738567 395447361 /nfs/dbraw/zinc/44/73/61/395447361.db2.gz BUYJDIAULHFLHV-UHFFFAOYSA-N -1 0 276.248 2.166 20 5 CEBDRM O=C(Nc1cccc(CO)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355386102 395431124 /nfs/dbraw/zinc/43/11/24/395431124.db2.gz XUWKXMRPXSTLGR-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM CCOc1cc(CSc2n[nH]c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000446072112 395481969 /nfs/dbraw/zinc/48/19/69/395481969.db2.gz LJWBHWXJJZEADH-UHFFFAOYSA-N -1 0 296.308 2.110 20 5 CEBDRM CO[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000572964330 395596350 /nfs/dbraw/zinc/59/63/50/395596350.db2.gz GYGIUZSMXBTYHI-RNCFNFMXSA-N -1 0 294.307 2.154 20 5 CEBDRM C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000568398219 395557723 /nfs/dbraw/zinc/55/77/23/395557723.db2.gz UGCQMLRFXPTNPJ-ZCFIWIBFSA-N -1 0 284.699 2.482 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000574404539 395629386 /nfs/dbraw/zinc/62/93/86/395629386.db2.gz WCHHTFOWYIJIQR-GZMMTYOYSA-N -1 0 292.291 2.097 20 5 CEBDRM COC[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000574521650 395631430 /nfs/dbraw/zinc/63/14/30/395631430.db2.gz GDRJTNIZSBPHEG-MRVPVSSYSA-N -1 0 282.296 2.296 20 5 CEBDRM CCOc1cccc(N2CCC[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000167662682 286572767 /nfs/dbraw/zinc/57/27/67/286572767.db2.gz JMVCSSRGVRADOI-SNVBAGLBSA-N -1 0 294.307 2.295 20 5 CEBDRM O=C([O-])CCCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000164433617 162334118 /nfs/dbraw/zinc/33/41/18/162334118.db2.gz VZZFKVJKMBRMOR-UHFFFAOYSA-N -1 0 298.270 2.109 20 5 CEBDRM CCN(CCC(=O)[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000038023981 174006335 /nfs/dbraw/zinc/00/63/35/174006335.db2.gz XMWFTHPBNCSUHR-UHFFFAOYSA-N -1 0 256.233 2.035 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000044747637 175243003 /nfs/dbraw/zinc/24/30/03/175243003.db2.gz GOMMCIVHDQUMLH-LBPRGKRZSA-N -1 0 294.307 2.132 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747663 175243085 /nfs/dbraw/zinc/24/30/85/175243085.db2.gz CACFXYPYUZAIDS-QPUJVOFHSA-N -1 0 294.307 2.132 20 5 CEBDRM C[C@@]1(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCOC1 ZINC000397231706 270352690 /nfs/dbraw/zinc/35/26/90/270352690.db2.gz RIGAGHXMSOETOX-ZDUSSCGKSA-N -1 0 280.280 2.132 20 5 CEBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCC1 ZINC000436965043 271697598 /nfs/dbraw/zinc/69/75/98/271697598.db2.gz HQRNNKYGCFWQNB-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]1CCSCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000276853689 287660441 /nfs/dbraw/zinc/66/04/41/287660441.db2.gz LFTXECRNLCUHKW-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(Nc1cc(F)ccc1O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130519292 279937509 /nfs/dbraw/zinc/93/75/09/279937509.db2.gz GGIJZEIUGAZIID-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000075236487 281086592 /nfs/dbraw/zinc/08/65/92/281086592.db2.gz AYJXUQIECQUADI-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM COc1cccc(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[N+](=O)[O-] ZINC000263275758 295306471 /nfs/dbraw/zinc/30/64/71/295306471.db2.gz WOWUSUHVGPTVQR-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[C@@H](F)C2)n1 ZINC000517378908 297620783 /nfs/dbraw/zinc/62/07/83/297620783.db2.gz YPQDDMJCYFXSTJ-HTQZYQBOSA-N -1 0 283.259 2.299 20 5 CEBDRM CC[C@@H](CCO)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000564733257 298843256 /nfs/dbraw/zinc/84/32/56/298843256.db2.gz XQPGFKZFWJLMPH-JTQLQIEISA-N -1 0 296.323 2.042 20 5 CEBDRM CC(F)(F)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565025863 298871258 /nfs/dbraw/zinc/87/12/58/298871258.db2.gz XSQCEVSXXKALFJ-UHFFFAOYSA-N -1 0 294.641 2.339 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H](CC3CC3)C2)n1 ZINC000566621552 299009330 /nfs/dbraw/zinc/00/93/30/299009330.db2.gz GNNZYAHHMHRMJK-SNVBAGLBSA-N -1 0 291.307 2.314 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186759426 303829842 /nfs/dbraw/zinc/82/98/42/303829842.db2.gz SEOCIEJOQHGGHR-SECBINFHSA-N -1 0 262.265 2.139 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CCC[C@@H]3F)[n-]2)cc1 ZINC000338844078 304801752 /nfs/dbraw/zinc/80/17/52/304801752.db2.gz PNWYCTJJHFUDDW-WDEREUQCSA-N -1 0 292.270 2.369 20 5 CEBDRM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000563450479 313741537 /nfs/dbraw/zinc/74/15/37/313741537.db2.gz OGWIFGMZKIYBIT-LBPRGKRZSA-N -1 0 294.307 2.166 20 5 CEBDRM CC[C@H](C)[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000564572253 313768488 /nfs/dbraw/zinc/76/84/88/313768488.db2.gz OJHUAIDVDYYEHB-UFBFGSQYSA-N -1 0 296.323 2.420 20 5 CEBDRM Cc1cc(NCC[C@H](O)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565037016 313791962 /nfs/dbraw/zinc/79/19/62/313791962.db2.gz ZGKJDBFIZODKHU-LBPRGKRZSA-N -1 0 296.323 2.420 20 5 CEBDRM Cc1cc(N(C)CC2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572044054 314119048 /nfs/dbraw/zinc/11/90/48/314119048.db2.gz WVKJHKOWHSWYKI-UHFFFAOYSA-N -1 0 264.281 2.448 20 5 CEBDRM Cc1cc(NCCOCC2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576587146 314290694 /nfs/dbraw/zinc/29/06/94/314290694.db2.gz FWXPBCYBQLJQBE-UHFFFAOYSA-N -1 0 294.307 2.440 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)C[C@@H]2C)n1 ZINC000576994089 314330973 /nfs/dbraw/zinc/33/09/73/314330973.db2.gz JISYYKXKGCUDGP-APPZFPTMSA-N -1 0 279.296 2.231 20 5 CEBDRM C[C@@H]1CSCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000379467107 321825750 /nfs/dbraw/zinc/82/57/50/321825750.db2.gz KORPYJJDIDDPFC-VIFPVBQESA-N -1 0 296.348 2.482 20 5 CEBDRM C[C@H](C(=O)[O-])N(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000383012161 321845234 /nfs/dbraw/zinc/84/52/34/321845234.db2.gz BWVQOZMYMJNEFH-MRVPVSSYSA-N -1 0 293.279 2.064 20 5 CEBDRM C[C@H](CC(C)(C)O)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000384905081 321855777 /nfs/dbraw/zinc/85/57/77/321855777.db2.gz XNAPOTVQKLDKBN-MRVPVSSYSA-N -1 0 282.296 2.254 20 5 CEBDRM CN(CCOCC1CC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211463965 326863287 /nfs/dbraw/zinc/86/32/87/326863287.db2.gz IOQFROXFACOMAC-UHFFFAOYSA-N -1 0 294.307 2.156 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000048567691 524305042 /nfs/dbraw/zinc/30/50/42/524305042.db2.gz WFKGQEBMGOZCAA-QMMMGPOBSA-N -1 0 250.254 2.139 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NCCCCCC(=O)[O-] ZINC000052812028 525576493 /nfs/dbraw/zinc/57/64/93/525576493.db2.gz WFCUWIZXHGPMGM-UHFFFAOYSA-N -1 0 267.285 2.355 20 5 CEBDRM CC(C)n1nccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166140604 528674682 /nfs/dbraw/zinc/67/46/82/528674682.db2.gz XGIUJFMPFBXCLV-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM Cc1cc(N2CC[C@@H](CN(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000740078646 574440704 /nfs/dbraw/zinc/44/07/04/574440704.db2.gz RVEUBKDGSYJVCU-NSHDSACASA-N -1 0 293.323 2.339 20 5 CEBDRM O=C([O-])c1coc(COC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000740269529 574450780 /nfs/dbraw/zinc/45/07/80/574450780.db2.gz HLSUFSSKEKKQIB-UHFFFAOYSA-N -1 0 297.244 2.305 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000738573852 574480291 /nfs/dbraw/zinc/48/02/91/574480291.db2.gz BWXGSSMDDJREIK-UHFFFAOYSA-N -1 0 285.227 2.146 20 5 CEBDRM CN(CCNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000739700708 574505502 /nfs/dbraw/zinc/50/55/02/574505502.db2.gz GTISIORQTYGMJM-UHFFFAOYSA-N -1 0 290.279 2.165 20 5 CEBDRM C[C@@H](OC(=O)CCCNC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000736690317 574794581 /nfs/dbraw/zinc/79/45/81/574794581.db2.gz SCWFESPGYFGDRG-SECBINFHSA-N -1 0 296.279 2.247 20 5 CEBDRM C[C@H](OC(=O)CSCC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000739042749 574891043 /nfs/dbraw/zinc/89/10/43/574891043.db2.gz PVAKIVUJMQHWCE-QMMMGPOBSA-N -1 0 299.304 2.017 20 5 CEBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000739556253 574926047 /nfs/dbraw/zinc/92/60/47/574926047.db2.gz GUAHQRMBQBOGEC-RKDXNWHRSA-N -1 0 299.666 2.012 20 5 CEBDRM Cc1ccnc(NC[C@H](NC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000740195058 574947597 /nfs/dbraw/zinc/94/75/97/574947597.db2.gz JERLCFKHSSWWMR-VIFPVBQESA-N -1 0 282.300 2.002 20 5 CEBDRM O=C([O-])N1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000740515770 574957458 /nfs/dbraw/zinc/95/74/58/574957458.db2.gz UCJNOWZYKMAGBG-QMMMGPOBSA-N -1 0 285.325 2.458 20 5 CEBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000740625272 574962015 /nfs/dbraw/zinc/96/20/15/574962015.db2.gz KHEOQKMCWCCYCL-UWVGGRQHSA-N -1 0 279.296 2.443 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000218138963 597024870 /nfs/dbraw/zinc/02/48/70/597024870.db2.gz ITIILZILHMOGKD-NSHDSACASA-N -1 0 295.295 2.134 20 5 CEBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000019868455 597140074 /nfs/dbraw/zinc/14/00/74/597140074.db2.gz LTJLTKXLKNOLSP-UHFFFAOYSA-N -1 0 273.248 2.300 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@@H](C)C(=O)[O-] ZINC000820968165 598144620 /nfs/dbraw/zinc/14/46/20/598144620.db2.gz QLCPCMFFAPMFDQ-VIFPVBQESA-N -1 0 281.264 2.150 20 5 CEBDRM O=C([O-])c1coc(COc2ccccc2[N+](=O)[O-])c1 ZINC000051329342 599802391 /nfs/dbraw/zinc/80/23/91/599802391.db2.gz UXVLVWSVCCRSFH-UHFFFAOYSA-N -1 0 263.205 2.465 20 5 CEBDRM O=C([O-])Cc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1 ZINC000048806661 600011761 /nfs/dbraw/zinc/01/17/61/600011761.db2.gz FOYNRJZVUYXUEN-UHFFFAOYSA-N -1 0 274.232 2.409 20 5 CEBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000828634307 601466216 /nfs/dbraw/zinc/46/62/16/601466216.db2.gz LHMWDLCXFVCOEY-ZDUSSCGKSA-N -1 0 298.270 2.107 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2ccc([N+](=O)[O-])cn2)c[nH]1 ZINC000833297461 601794444 /nfs/dbraw/zinc/79/44/44/601794444.db2.gz GONHEZKMZTZYKQ-OWOJBTEDSA-N -1 0 259.221 2.187 20 5 CEBDRM Cc1nc(Nc2cc(C(=O)[O-])n(C)c2)ccc1[N+](=O)[O-] ZINC000833002673 602134430 /nfs/dbraw/zinc/13/44/30/602134430.db2.gz FQJMAQYTSPEQRV-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM CC1(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000827976132 602149667 /nfs/dbraw/zinc/14/96/67/602149667.db2.gz JUTQSYKDXFGOIN-UHFFFAOYSA-N -1 0 264.237 2.032 20 5 CEBDRM O=C([O-])c1ccsc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000833163326 602397285 /nfs/dbraw/zinc/39/72/85/602397285.db2.gz PUGYTPWFMLQDNV-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM CN(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000828236002 603204808 /nfs/dbraw/zinc/20/48/08/603204808.db2.gz MHLUGEZKBBHSEW-LBPRGKRZSA-N -1 0 279.296 2.173 20 5 CEBDRM CN(c1ccc(F)cc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828434647 603884295 /nfs/dbraw/zinc/88/42/95/603884295.db2.gz HZYXAHKLEJWYDS-UHFFFAOYSA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1ccc([C@@H](C)OC(=O)[C@@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000830257136 603964971 /nfs/dbraw/zinc/96/49/71/603964971.db2.gz RWYPGGYBJPCKBP-RKDXNWHRSA-N -1 0 296.279 2.164 20 5 CEBDRM Cc1cc(N2CC[C@@H](N(C)C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000830072762 604224243 /nfs/dbraw/zinc/22/42/43/604224243.db2.gz JDBVAUCCGWLJBI-LLVKDONJSA-N -1 0 279.296 2.092 20 5 CEBDRM Cc1nc(NC[C@@H](NC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000830775610 604442717 /nfs/dbraw/zinc/44/27/17/604442717.db2.gz QHHPDGLVLCJFIL-SECBINFHSA-N -1 0 282.300 2.002 20 5 CEBDRM O=C([O-])c1ccc(OCCCCCCO)c([N+](=O)[O-])c1 ZINC000833322026 604710636 /nfs/dbraw/zinc/71/06/36/604710636.db2.gz TXNSAQVPNJZCAQ-UHFFFAOYSA-N -1 0 283.280 2.225 20 5 CEBDRM CC[C@@H](C)N(OC)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828753364 604912653 /nfs/dbraw/zinc/91/26/53/604912653.db2.gz LXBRZFHTZOWGKL-MRVPVSSYSA-N -1 0 296.279 2.095 20 5 CEBDRM O=C([O-])N1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000834078288 605375760 /nfs/dbraw/zinc/37/57/60/605375760.db2.gz OZYCLKPMTISZJC-MRVPVSSYSA-N -1 0 283.259 2.146 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(C)(C)NC(=O)[O-] ZINC000833907105 605745887 /nfs/dbraw/zinc/74/58/87/605745887.db2.gz BINCGHBGIGDSSA-UHFFFAOYSA-N -1 0 296.279 2.106 20 5 CEBDRM O=C([O-])NC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000834220181 605950614 /nfs/dbraw/zinc/95/06/14/605950614.db2.gz NDKQMBDDOVWZFL-GFCCVEGCSA-N -1 0 279.296 2.221 20 5 CEBDRM O=C([O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000834118915 606025068 /nfs/dbraw/zinc/02/50/68/606025068.db2.gz MKOAELJCICUXIW-SECBINFHSA-N -1 0 254.267 2.320 20 5 CEBDRM CS[C@H]1CC[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000235074115 624578019 /nfs/dbraw/zinc/57/80/19/624578019.db2.gz NCTDZSOJXBKXBM-BDAKNGLRSA-N -1 0 297.336 2.384 20 5 CEBDRM C[C@H]1CC[C@H](C)N(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000312278454 628209416 /nfs/dbraw/zinc/20/94/16/628209416.db2.gz JLSVBFRARYJBKO-IUCAKERBSA-N -1 0 279.296 2.313 20 5 CEBDRM CN(C(=O)c1csc([N+](=O)[O-])c1)C1(C(=O)[O-])CCCC1 ZINC000312483553 628285701 /nfs/dbraw/zinc/28/57/01/628285701.db2.gz ZDDUHLJTRWQBEI-UHFFFAOYSA-N -1 0 298.320 2.126 20 5 CEBDRM C[C@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)[C@H]1CCCCO1 ZINC000893505631 628660168 /nfs/dbraw/zinc/66/01/68/628660168.db2.gz ORVZLBVIEOCCGN-MWLCHTKSSA-N -1 0 282.296 2.285 20 5 CEBDRM O=C(NOc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000816684117 633463509 /nfs/dbraw/zinc/46/35/09/633463509.db2.gz NHUHTPNIMRIUIX-UHFFFAOYSA-N -1 0 274.232 2.024 20 5 CEBDRM O=C([O-])CC[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000900961532 633908226 /nfs/dbraw/zinc/90/82/26/633908226.db2.gz HBCSAQNYMCWUBZ-SECBINFHSA-N -1 0 297.286 2.210 20 5 CEBDRM CC(C)(C(=O)[N-]OC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000832331928 637547528 /nfs/dbraw/zinc/54/75/28/637547528.db2.gz BJUYXLMBACHLKA-UHFFFAOYSA-N -1 0 278.308 2.473 20 5 CEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1sccc1[N+](=O)[O-])C2 ZINC000910482720 638071182 /nfs/dbraw/zinc/07/11/82/638071182.db2.gz ZQAWMHMRTDAMRP-BUYFANAVSA-N -1 0 268.294 2.322 20 5 CEBDRM CC[C@H](C)[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)OC ZINC000835636831 638337833 /nfs/dbraw/zinc/33/78/33/638337833.db2.gz ZTDBOVOPVAEFAX-WCBMZHEXSA-N -1 0 270.285 2.141 20 5 CEBDRM CC(C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837331949 639188715 /nfs/dbraw/zinc/18/87/15/639188715.db2.gz CIZKWZKOKWXAJQ-UHFFFAOYSA-N -1 0 253.254 2.390 20 5 CEBDRM O=C(CC[C@H]1CCCO1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837422605 639222765 /nfs/dbraw/zinc/22/27/65/639222765.db2.gz UVPCGYNSPKFERL-GFCCVEGCSA-N -1 0 295.291 2.303 20 5 CEBDRM CC1(C)CC[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])O1 ZINC000837676285 639338666 /nfs/dbraw/zinc/33/86/66/639338666.db2.gz JANYVIQEEOMIFK-LBPRGKRZSA-N -1 0 295.291 2.301 20 5 CEBDRM CC[C@@](C)(OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837700773 639349167 /nfs/dbraw/zinc/34/91/67/639349167.db2.gz NZVGCELYCHKMTN-CYBMUJFWSA-N -1 0 283.280 2.159 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000062875091 639792830 /nfs/dbraw/zinc/79/28/30/639792830.db2.gz HMLWUJWVROZKAX-CYBMUJFWSA-N -1 0 279.296 2.071 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000843036786 640245415 /nfs/dbraw/zinc/24/54/15/640245415.db2.gz PHJJNQCDJWQIEA-VHSXEESVSA-N -1 0 292.291 2.463 20 5 CEBDRM CCOCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000917082809 640846869 /nfs/dbraw/zinc/84/68/69/640846869.db2.gz VJMVKLMMQIVMKP-GQCTYLIASA-N -1 0 280.280 2.141 20 5 CEBDRM CCOC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000850291463 642656835 /nfs/dbraw/zinc/65/68/35/642656835.db2.gz ZSRKHCUNGQHPRU-UHFFFAOYSA-N -1 0 295.291 2.303 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000852913390 643596942 /nfs/dbraw/zinc/59/69/42/643596942.db2.gz SFQCLCSFSOHCLQ-JTQLQIEISA-N -1 0 279.296 2.090 20 5 CEBDRM C[C@@H]1CC(OC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@@H](C)O1 ZINC000756037504 644596529 /nfs/dbraw/zinc/59/65/29/644596529.db2.gz KSPBZUSRTOBOMY-HTQZYQBOSA-N -1 0 268.269 2.036 20 5 CEBDRM C[C@H](C(=O)[N-]O[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000761680712 645307936 /nfs/dbraw/zinc/30/79/36/645307936.db2.gz VAFUOIJQMISGTA-GXFFZTMASA-N -1 0 294.307 2.273 20 5 CEBDRM CS[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000773191881 646714799 /nfs/dbraw/zinc/71/47/99/646714799.db2.gz NSANTTYFOJOJLF-PSASIEDQSA-N -1 0 296.348 2.314 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC=C(C(=O)[O-])C1 ZINC000863479891 646738745 /nfs/dbraw/zinc/73/87/45/646738745.db2.gz CKNCDTJSVAMHRX-JTQLQIEISA-N -1 0 290.275 2.383 20 5 CEBDRM COCc1ccccc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000785165589 647911309 /nfs/dbraw/zinc/91/13/09/647911309.db2.gz RLFBQHARHWVRSM-UHFFFAOYSA-N -1 0 290.275 2.426 20 5 CEBDRM C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000124702079 649727186 /nfs/dbraw/zinc/72/71/86/649727186.db2.gz QSOMCQFHCXDVQT-LURJTMIESA-N -1 0 258.661 2.381 20 5 CEBDRM CON(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCC1 ZINC000124838949 649748823 /nfs/dbraw/zinc/74/88/23/649748823.db2.gz HDKSCBYJKMIUFH-UHFFFAOYSA-N -1 0 280.280 2.247 20 5 CEBDRM O=C([O-])CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000026990904 652395507 /nfs/dbraw/zinc/39/55/07/652395507.db2.gz QLSOVPLMYSMOSO-UHFFFAOYSA-N -1 0 292.291 2.064 20 5 in-vivo CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000715314132 814946960 /nfs/dbraw/zinc/94/69/60/814946960.db2.gz NAIPCHCRHFNJTQ-IUCAKERBSA-N -1 0 250.254 2.036 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000715970348 814999370 /nfs/dbraw/zinc/99/93/70/814999370.db2.gz AYJGCAOCTMWOGQ-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721242184 807016032 /nfs/dbraw/zinc/01/60/32/807016032.db2.gz INSZASZDYQJEAQ-LOWVWBTDSA-N -1 0 276.292 2.060 20 5 CEBDRM CCCCOC(=O)[C@H](C)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225492702 804885622 /nfs/dbraw/zinc/88/56/22/804885622.db2.gz ZRRASAIXBADQJJ-VIFPVBQESA-N -1 0 283.280 2.411 20 5 CEBDRM C[C@@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cncnc1 ZINC001225619430 805036201 /nfs/dbraw/zinc/03/62/01/805036201.db2.gz ACVOXFWPIXLXNA-MRVPVSSYSA-N -1 0 261.237 2.230 20 5 CEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1ccccc1[N+](=O)[O-])C2 ZINC000712950806 814839706 /nfs/dbraw/zinc/83/97/06/814839706.db2.gz MVQKMHCTLALDOL-ZDMBXUJBSA-N -1 0 262.265 2.260 20 5 CEBDRM Nc1ccc2c(cnn2-c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504522 816030750 /nfs/dbraw/zinc/03/07/50/816030750.db2.gz RVXVJJHNDIRLTL-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1C ZINC001176671636 816452118 /nfs/dbraw/zinc/45/21/18/816452118.db2.gz ABBGYOGTSXFTRT-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM O=C([O-])c1cc(Nc2nccnc2Cl)cc([N+](=O)[O-])c1 ZINC001176672560 816452544 /nfs/dbraw/zinc/45/25/44/816452544.db2.gz MJCJIRJGJDLBCX-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM Cc1cnc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1 ZINC001176672584 816452784 /nfs/dbraw/zinc/45/27/84/816452784.db2.gz NTQLRWCTHARXQD-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)C(C)(C)OC2 ZINC000601940135 346934502 /nfs/dbraw/zinc/93/45/02/346934502.db2.gz OTYXIOZHZZECEE-GFCCVEGCSA-N -1 0 289.291 2.031 20 5 CEBDRM CCCc1nc(=NC(=O)c2csc([N+](=O)[O-])c2)s[n-]1 ZINC000338643795 214698443 /nfs/dbraw/zinc/69/84/43/214698443.db2.gz OYDHIUXBEHBQDA-UHFFFAOYSA-N -1 0 298.349 2.135 20 5 CEBDRM CC[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)OC ZINC000567977957 299103548 /nfs/dbraw/zinc/10/35/48/299103548.db2.gz RWGRSZGCOCMPTK-JTQLQIEISA-N -1 0 282.296 2.438 20 5 CEBDRM Cc1cc(NC[C@@H](CO)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978534 299104077 /nfs/dbraw/zinc/10/40/77/299104077.db2.gz JLNFEGAQYHNVKQ-JTQLQIEISA-N -1 0 296.323 2.278 20 5 CEBDRM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092486782 344191430 /nfs/dbraw/zinc/19/14/30/344191430.db2.gz MHLDDGSTMPQVPX-GWCFXTLKSA-N -1 0 280.324 2.300 20 5 CEBDRM COc1cc(N2CCC(C)(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000111045088 344270139 /nfs/dbraw/zinc/27/01/39/344270139.db2.gz QTWOBQRPNFNNTA-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cc(N2CCC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111045092 344270198 /nfs/dbraw/zinc/27/01/98/344270198.db2.gz KEMZEKSTIVVDQY-AWEZNQCLSA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cc(CNc2cc(C)on2)cc([N+](=O)[O-])c1[O-] ZINC000181468285 344506767 /nfs/dbraw/zinc/50/67/67/344506767.db2.gz BJPZDQGIROGAHE-UHFFFAOYSA-N -1 0 279.252 2.218 20 5 CEBDRM C[C@H]1CCCN1c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211938575 344531795 /nfs/dbraw/zinc/53/17/95/344531795.db2.gz MWGPEJCONIHTBV-QMMMGPOBSA-N -1 0 250.254 2.282 20 5 CEBDRM CCC1(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000233004823 344581286 /nfs/dbraw/zinc/58/12/86/344581286.db2.gz AGWROTYLEZRWCV-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM CCC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000291103408 282347503 /nfs/dbraw/zinc/34/75/03/282347503.db2.gz RZQANOOQCMHVAQ-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000311411060 344734171 /nfs/dbraw/zinc/73/41/71/344734171.db2.gz YWVVDPQLWBTQKR-VHSXEESVSA-N -1 0 264.281 2.142 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000592902419 345413704 /nfs/dbraw/zinc/41/37/04/345413704.db2.gz GDECTDHNGNARAU-ATZCPNFKSA-N -1 0 276.292 2.219 20 5 CEBDRM CC1(C)C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000592969806 345417184 /nfs/dbraw/zinc/41/71/84/345417184.db2.gz NZIGQEKODAWTOZ-LLVKDONJSA-N -1 0 264.281 2.432 20 5 CEBDRM Cc1cc(NCC[C@@H](O)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592973866 345417252 /nfs/dbraw/zinc/41/72/52/345417252.db2.gz BERZNHPDJCSJEF-CYBMUJFWSA-N -1 0 296.323 2.420 20 5 CEBDRM CCC[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])OC ZINC000592978199 345417652 /nfs/dbraw/zinc/41/76/52/345417652.db2.gz YMZMTKJWBUZSSD-NSHDSACASA-N -1 0 296.323 2.449 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593325847 345466715 /nfs/dbraw/zinc/46/67/15/345466715.db2.gz XYUDAOJOUWHXKM-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593887472 345548705 /nfs/dbraw/zinc/54/87/05/345548705.db2.gz UBQVRMCKHLWFIF-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000595970283 345919152 /nfs/dbraw/zinc/91/91/52/345919152.db2.gz VLOWIVUSKOWIKI-SFYZADRCSA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1ccc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1[N+](=O)[O-] ZINC000595985332 345921157 /nfs/dbraw/zinc/92/11/57/345921157.db2.gz HRJVCKHXEDWHAO-AWEZNQCLSA-N -1 0 292.291 2.343 20 5 CEBDRM CO[C@@H]1CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000597491273 346193230 /nfs/dbraw/zinc/19/32/30/346193230.db2.gz IHWMWHFSMOZCNR-WCBMZHEXSA-N -1 0 280.280 2.054 20 5 CEBDRM CO[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000597491274 346193328 /nfs/dbraw/zinc/19/33/28/346193328.db2.gz IHWMWHFSMOZCNR-WPRPVWTQSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598207045 346305402 /nfs/dbraw/zinc/30/54/02/346305402.db2.gz FAIXEBXINVHGLW-USWWRNFRSA-N -1 0 290.319 2.466 20 5 CEBDRM O=C(NCC1=CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000598375981 346341766 /nfs/dbraw/zinc/34/17/66/346341766.db2.gz KDCMLZHHHSTFTG-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600167525 346611639 /nfs/dbraw/zinc/61/16/39/346611639.db2.gz GKEZUCFEYKITFD-FOGDFJRCSA-N -1 0 290.319 2.466 20 5 CEBDRM CCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])OCC ZINC000600173814 346614533 /nfs/dbraw/zinc/61/45/33/346614533.db2.gz GCNCMVMAFKDRAD-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM C[C@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1=O ZINC000356302450 370649244 /nfs/dbraw/zinc/64/92/44/370649244.db2.gz ZXFUZXLVEQVKMC-DTWKUNHWSA-N -1 0 292.291 2.244 20 5 CEBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnco1 ZINC000612628212 347910598 /nfs/dbraw/zinc/91/05/98/347910598.db2.gz QEJRSRYCYOZNNY-UHFFFAOYSA-N -1 0 283.627 2.194 20 5 CEBDRM Cn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C(F)F ZINC000619696810 349219219 /nfs/dbraw/zinc/21/92/19/349219219.db2.gz LTPGXNMJDFMZRD-UHFFFAOYSA-N -1 0 275.240 2.466 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000292344161 198251912 /nfs/dbraw/zinc/25/19/12/198251912.db2.gz PGFQLDOBZIBKDF-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM COCCC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000155982482 188238241 /nfs/dbraw/zinc/23/82/41/188238241.db2.gz QQDDVYALYPBKJP-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM COC[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000569930620 299226991 /nfs/dbraw/zinc/22/69/91/299226991.db2.gz JHGZKXPWOUEROI-SNVBAGLBSA-N -1 0 294.307 2.074 20 5 CEBDRM CC(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000075433115 363464847 /nfs/dbraw/zinc/46/48/47/363464847.db2.gz DNYYWXROPIRILC-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(CC(F)F)C1CC1 ZINC000134256649 366304115 /nfs/dbraw/zinc/30/41/15/366304115.db2.gz WHMIWLWMFSWCDN-UHFFFAOYSA-N -1 0 286.234 2.170 20 5 CEBDRM CCO[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273819828 192320865 /nfs/dbraw/zinc/32/08/65/192320865.db2.gz CNYYJEBZBLCRNJ-UHFFFAOYSA-N -1 0 270.260 2.079 20 5 CEBDRM CCC1(CNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000575752442 366357506 /nfs/dbraw/zinc/35/75/06/366357506.db2.gz LNKNAIWTFSEDDR-UHFFFAOYSA-N -1 0 279.296 2.020 20 5 CEBDRM CC(C)C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000175557608 188956493 /nfs/dbraw/zinc/95/64/93/188956493.db2.gz WOQFOCDNQPGFPC-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C([O-])CCCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135207629 366408611 /nfs/dbraw/zinc/40/86/11/366408611.db2.gz ILRWFLDYFXKHAV-UHFFFAOYSA-N -1 0 298.270 2.109 20 5 CEBDRM CC[C@@H](COC)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000577874837 366412382 /nfs/dbraw/zinc/41/23/82/366412382.db2.gz BKCFGIIRLYWBSR-VIFPVBQESA-N -1 0 282.296 2.438 20 5 CEBDRM Cc1cc(NCC[C@H](C)CCO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578537234 366511343 /nfs/dbraw/zinc/51/13/43/366511343.db2.gz ZMTSUUKRQHRDTA-VIFPVBQESA-N -1 0 296.323 2.422 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000578572828 366513497 /nfs/dbraw/zinc/51/34/97/366513497.db2.gz PMIPTHNQFBQQGA-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cc(N[C@@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570969664 299287163 /nfs/dbraw/zinc/28/71/63/299287163.db2.gz HFSJGJWBOMMCPD-SECBINFHSA-N -1 0 280.280 2.192 20 5 CEBDRM C[C@]1([NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000339082845 366645617 /nfs/dbraw/zinc/64/56/17/366645617.db2.gz KPUYFJLCZNRCLV-CABCVRRESA-N -1 0 292.335 2.348 20 5 CEBDRM CCOC(=O)C[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339085436 366647166 /nfs/dbraw/zinc/64/71/66/366647166.db2.gz WNKIULBUPAHVPN-JTQLQIEISA-N -1 0 296.323 2.074 20 5 CEBDRM CC(C)[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000081588765 363732590 /nfs/dbraw/zinc/73/25/90/363732590.db2.gz QQLMFZMWXBNBJH-LLVKDONJSA-N -1 0 290.279 2.059 20 5 CEBDRM Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000019398207 361531397 /nfs/dbraw/zinc/53/13/97/361531397.db2.gz VKUJZSGCHNXZIZ-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000094239937 364261453 /nfs/dbraw/zinc/26/14/53/364261453.db2.gz DHVUJORLXTWULO-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC2(CCC2)C1 ZINC000158189682 366854441 /nfs/dbraw/zinc/85/44/41/366854441.db2.gz XKYXWHSCQCWYHI-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC(C(F)(F)F)C1 ZINC000582103231 366862734 /nfs/dbraw/zinc/86/27/34/366862734.db2.gz ANFLUKLBMNYUSE-UHFFFAOYSA-N -1 0 276.214 2.295 20 5 CEBDRM CC[C@@H](Sc1ncc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000097824280 364521214 /nfs/dbraw/zinc/52/12/14/364521214.db2.gz RVTSFVLJHBKEOO-MRVPVSSYSA-N -1 0 256.283 2.254 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000160406342 367003118 /nfs/dbraw/zinc/00/31/18/367003118.db2.gz NQXJQRGHZXGTHQ-RKDXNWHRSA-N -1 0 264.281 2.313 20 5 CEBDRM COc1cc(CNc2cncc(F)c2)cc([N+](=O)[O-])c1[O-] ZINC000341351502 367298489 /nfs/dbraw/zinc/29/84/89/367298489.db2.gz KRBJWZANYPRPSX-UHFFFAOYSA-N -1 0 293.254 2.455 20 5 CEBDRM Cc1n[nH]c(C)c1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000341353527 367300962 /nfs/dbraw/zinc/30/09/62/367300962.db2.gz PWUVTICPSBZIQL-ARJAWSKDSA-N -1 0 288.263 2.198 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000166291180 367320656 /nfs/dbraw/zinc/32/06/56/367320656.db2.gz SMKUJYVBKCZMGV-IUCAKERBSA-N -1 0 280.280 2.130 20 5 CEBDRM CO[C@@H]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000343878015 368054282 /nfs/dbraw/zinc/05/42/82/368054282.db2.gz OPUIBYQUWJGIAX-MWLCHTKSSA-N -1 0 294.307 2.444 20 5 CEBDRM CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185978824 368897641 /nfs/dbraw/zinc/89/76/41/368897641.db2.gz FEWAIFDQXXGMHY-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186178480 368930889 /nfs/dbraw/zinc/93/08/89/368930889.db2.gz VXDIPCDDYVEYPO-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000187748731 369216723 /nfs/dbraw/zinc/21/67/23/369216723.db2.gz XPKMLFJKVYLMFI-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C[C@H]2CC[C@@H]1O2 ZINC000189795285 369569386 /nfs/dbraw/zinc/56/93/86/369569386.db2.gz XOXXYEDAFCJVPM-LQJRIPTKSA-N -1 0 292.291 2.197 20 5 CEBDRM CO[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000354331355 370318730 /nfs/dbraw/zinc/31/87/30/370318730.db2.gz LUUFEFQOYDCTHW-LBPRGKRZSA-N -1 0 296.323 2.091 20 5 CEBDRM CCC(CC)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000354290210 370300497 /nfs/dbraw/zinc/30/04/97/370300497.db2.gz SGUCRGHBRNZSNT-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000230688082 370464612 /nfs/dbraw/zinc/46/46/12/370464612.db2.gz AZTCLKOENRIMGB-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1conc1C1CC1 ZINC000355570140 370604193 /nfs/dbraw/zinc/60/41/93/370604193.db2.gz DKKXJZBFPWCZMK-UHFFFAOYSA-N -1 0 289.247 2.418 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(CC3CC3)no2)cc1[O-] ZINC000358681714 371172154 /nfs/dbraw/zinc/17/21/54/371172154.db2.gz BIMAOXJKXVWJQR-UHFFFAOYSA-N -1 0 261.237 2.303 20 5 CEBDRM CC(=O)c1cc(N[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000262147056 371830323 /nfs/dbraw/zinc/83/03/23/371830323.db2.gz QQTFTINNQCBTQS-LBPRGKRZSA-N -1 0 280.280 2.319 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(CC3CC3)no2)c1 ZINC000362715335 372500563 /nfs/dbraw/zinc/50/05/63/372500563.db2.gz ZUFGRUCNIIUOFG-UHFFFAOYSA-N -1 0 261.237 2.303 20 5 CEBDRM CSC[C@H]1CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272661590 373604969 /nfs/dbraw/zinc/60/49/69/373604969.db2.gz HPTOTAQPUSTPHT-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM CO[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000382039277 375182964 /nfs/dbraw/zinc/18/29/64/375182964.db2.gz UVJOBNAHQYCNAZ-GFCCVEGCSA-N -1 0 282.296 2.376 20 5 CEBDRM CC(C)CCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280830616 375336894 /nfs/dbraw/zinc/33/68/94/375336894.db2.gz UCKIOIVFNSGRQD-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM CC[C@@H]1C[C@H]1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000387947134 321881651 /nfs/dbraw/zinc/88/16/51/321881651.db2.gz BEBHSHQFVIYCHX-SFYZADRCSA-N -1 0 265.269 2.146 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000565017946 377532085 /nfs/dbraw/zinc/53/20/85/377532085.db2.gz BQOGNDARAOAYKR-IUCAKERBSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C([N-]OCC1CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000293732649 377730095 /nfs/dbraw/zinc/73/00/95/377730095.db2.gz HZZONANGSZOFHO-UHFFFAOYSA-N -1 0 286.234 2.144 20 5 CEBDRM CC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000566291847 377753648 /nfs/dbraw/zinc/75/36/48/377753648.db2.gz WCOTZMBWBLACCV-UHFFFAOYSA-N -1 0 264.281 2.434 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000293856487 377790305 /nfs/dbraw/zinc/79/03/05/377790305.db2.gz BVHWNQZNAOJOQY-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000295579964 378222158 /nfs/dbraw/zinc/22/21/58/378222158.db2.gz NFHVBVDLXUDRTG-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458151696 380024186 /nfs/dbraw/zinc/02/41/86/380024186.db2.gz XUCKGOSIPQEITH-TZMCWYRMSA-N -1 0 278.308 2.465 20 5 CEBDRM CC(C)C(C)(C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000555347759 380823024 /nfs/dbraw/zinc/82/30/24/380823024.db2.gz KEHNBOUVCNQTHW-UHFFFAOYSA-N -1 0 266.297 2.465 20 5 CEBDRM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000281677099 195332643 /nfs/dbraw/zinc/33/26/43/195332643.db2.gz UGBDJECVSAUAKH-BDAKNGLRSA-N -1 0 292.291 2.244 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000191597973 130260200 /nfs/dbraw/zinc/26/02/00/130260200.db2.gz SJYCDNJGECZPKH-VIFPVBQESA-N -1 0 294.307 2.457 20 5 CEBDRM Cc1cc(C(=O)NCCC(C)(C)C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000261637721 131158568 /nfs/dbraw/zinc/15/85/68/131158568.db2.gz IGJDUTYHNPCVKS-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM Cc1c(C(=O)NCCC(C)(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000261664730 131160432 /nfs/dbraw/zinc/16/04/32/131160432.db2.gz KVOKWRZZPJGVCW-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM O=C([O-])CCCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000263229478 131286393 /nfs/dbraw/zinc/28/63/93/131286393.db2.gz AQKAMMMMJNKCOK-UHFFFAOYSA-N -1 0 292.291 2.129 20 5 CEBDRM C[C@@H](SCc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)O ZINC000413003494 394458015 /nfs/dbraw/zinc/45/80/15/394458015.db2.gz XDVUDGAFKYABIH-JGVFFNPUSA-N -1 0 257.311 2.303 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000422557080 394708977 /nfs/dbraw/zinc/70/89/77/394708977.db2.gz IJVRDJQOVKQRFZ-KWQFWETISA-N -1 0 293.323 2.154 20 5 CEBDRM O=C(N[C@@H]1CC12CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436881927 395160203 /nfs/dbraw/zinc/16/02/03/395160203.db2.gz VUEDTQDKVJHTQB-GFCCVEGCSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000566276424 395509354 /nfs/dbraw/zinc/50/93/54/395509354.db2.gz LUKPYBHIYXFRKI-IUCAKERBSA-N -1 0 282.271 2.311 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573122399 395600704 /nfs/dbraw/zinc/60/07/04/395600704.db2.gz GMAAHGHUTCFQFA-BDAKNGLRSA-N -1 0 282.271 2.311 20 5 CEBDRM CC(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285138361 196205775 /nfs/dbraw/zinc/20/57/75/196205775.db2.gz NYKOQNUQZHEFNU-UHFFFAOYSA-N -1 0 296.707 2.074 20 5 CEBDRM C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000035407090 172177929 /nfs/dbraw/zinc/17/79/29/172177929.db2.gz MCTUUISJIKLNAT-ZETCQYMHSA-N -1 0 261.237 2.028 20 5 CEBDRM CC(C)CN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000037108987 172959624 /nfs/dbraw/zinc/95/96/24/172959624.db2.gz BAWOBZGMTQEQGD-UHFFFAOYSA-N -1 0 252.270 2.385 20 5 CEBDRM O=C([O-])C1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000037561496 173271970 /nfs/dbraw/zinc/27/19/70/173271970.db2.gz ZTHYHEHIZOWQDW-UHFFFAOYSA-N -1 0 298.320 2.030 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000044747683 175243282 /nfs/dbraw/zinc/24/32/82/175243282.db2.gz HTWOXRCPGWOMDF-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM CC1(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC(F)(F)C1 ZINC000874853691 649854989 /nfs/dbraw/zinc/85/49/89/649854989.db2.gz KVQCWMZQBIICQG-UHFFFAOYSA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000227572867 270311371 /nfs/dbraw/zinc/31/13/71/270311371.db2.gz RVLXMMXYHSKGBB-KOLCDFICSA-N -1 0 264.281 2.203 20 5 CEBDRM CC(C)(CO)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000395159123 270345720 /nfs/dbraw/zinc/34/57/20/270345720.db2.gz MFNRIXXWQZTZNU-UHFFFAOYSA-N -1 0 282.296 2.114 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000399573876 270371075 /nfs/dbraw/zinc/37/10/75/270371075.db2.gz PNNXAUCPZVKVHS-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC2(CCC2(F)F)C1 ZINC000436608765 271677190 /nfs/dbraw/zinc/67/71/90/271677190.db2.gz KRKJDSWBKSBVNS-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM CC(C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436965789 271697171 /nfs/dbraw/zinc/69/71/71/271697171.db2.gz KOFOFOMXHGUEKV-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2cccnc2)cc1[N+](=O)[O-] ZINC000135609956 280051255 /nfs/dbraw/zinc/05/12/55/280051255.db2.gz NUDHYLFEMNDISK-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262891771 280105627 /nfs/dbraw/zinc/10/56/27/280105627.db2.gz HMIMWEZGEVOZMB-CQSZACIVSA-N -1 0 294.307 2.214 20 5 CEBDRM C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000444477832 281607976 /nfs/dbraw/zinc/60/79/76/281607976.db2.gz HUJIXOYZZLAMRY-BDAKNGLRSA-N -1 0 264.281 2.219 20 5 CEBDRM CC(C)[C@]1(C)C[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000458151694 289885133 /nfs/dbraw/zinc/88/51/33/289885133.db2.gz XUCKGOSIPQEITH-JSGCOSHPSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000130315963 297355781 /nfs/dbraw/zinc/35/57/81/297355781.db2.gz JBXAMPFEAILYNE-AOOOYVTPSA-N -1 0 278.308 2.419 20 5 CEBDRM CC(C)CO[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539971359 298260807 /nfs/dbraw/zinc/26/08/07/298260807.db2.gz RTUICGKRLXQVNX-SECBINFHSA-N -1 0 282.296 2.300 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000191935418 299960193 /nfs/dbraw/zinc/96/01/93/299960193.db2.gz HLZATGFTIDJLBF-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])[C@H]1C ZINC000280761515 300655648 /nfs/dbraw/zinc/65/56/48/300655648.db2.gz BAZASWFUNOAPAL-DTWKUNHWSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1cc(N2CC[C@](C)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000062933168 301342369 /nfs/dbraw/zinc/34/23/69/301342369.db2.gz DMBFLXFIPFKXSU-ZDUSSCGKSA-N -1 0 264.281 2.204 20 5 CEBDRM O=C(N[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137814732 303824696 /nfs/dbraw/zinc/82/46/96/303824696.db2.gz MZMZDFNCGNNNIB-SNVBAGLBSA-N -1 0 262.265 2.139 20 5 CEBDRM O=C(N[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186759409 303939658 /nfs/dbraw/zinc/93/96/58/303939658.db2.gz SEOCIEJOQHGGHR-VIFPVBQESA-N -1 0 262.265 2.139 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000532803296 313359165 /nfs/dbraw/zinc/35/91/65/313359165.db2.gz VUOJQOGDLRUCRD-RJRFIUFISA-N -1 0 271.232 2.253 20 5 CEBDRM CCCC[C@H](Sc1c([N+](=O)[O-])ncn1C)C(=O)[O-] ZINC000563433201 313739494 /nfs/dbraw/zinc/73/94/94/313739494.db2.gz RSKRBVKQSQFGRQ-ZETCQYMHSA-N -1 0 273.314 2.064 20 5 CEBDRM Cc1cc(N[C@@H](C)C[C@H](C)O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565035958 313791863 /nfs/dbraw/zinc/79/18/63/313791863.db2.gz QGKWJEDFSWLAEO-IUCAKERBSA-N -1 0 282.296 2.173 20 5 CEBDRM C/C=C/C[C@H](CO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568094408 313930572 /nfs/dbraw/zinc/93/05/72/313930572.db2.gz FFNFQHDQTQXYSZ-VMZHVLLKSA-N -1 0 280.280 2.032 20 5 CEBDRM COCC1(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000576229242 314254837 /nfs/dbraw/zinc/25/48/37/314254837.db2.gz OVCHKQWBTGJKRY-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576876113 314318586 /nfs/dbraw/zinc/31/85/86/314318586.db2.gz QAMUUZJPTHEMPW-CABZTGNLSA-N -1 0 294.307 2.129 20 5 CEBDRM CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576876115 314318962 /nfs/dbraw/zinc/31/89/62/314318962.db2.gz QAMUUZJPTHEMPW-SKDRFNHKSA-N -1 0 294.307 2.129 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000577137635 314345326 /nfs/dbraw/zinc/34/53/26/314345326.db2.gz KMOLIJODTVFOKU-DLRQAJBASA-N -1 0 292.291 2.052 20 5 CEBDRM CC1(C)[C@@H]2CN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000380376835 321830088 /nfs/dbraw/zinc/83/00/88/321830088.db2.gz JBSFCEZSVPJBDD-AOOOYVTPSA-N -1 0 276.292 2.385 20 5 CEBDRM C[C@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000384734152 321853814 /nfs/dbraw/zinc/85/38/14/321853814.db2.gz BTPAWTHOELKPKP-MRVPVSSYSA-N -1 0 282.296 2.254 20 5 CEBDRM O=C(NCCc1ccsc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160002637 534496727 /nfs/dbraw/zinc/49/67/27/534496727.db2.gz JSAHSUIEZYYJOO-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000052812099 525574558 /nfs/dbraw/zinc/57/45/58/525574558.db2.gz VAAHIQQCOQUIOA-NSHDSACASA-N -1 0 293.323 2.379 20 5 CEBDRM CSC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184936639 525711504 /nfs/dbraw/zinc/71/15/04/525711504.db2.gz PDUILQISIWUZDM-SNVBAGLBSA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000062874441 525816403 /nfs/dbraw/zinc/81/64/03/525816403.db2.gz HEQDCXANAQIOCT-CYBMUJFWSA-N -1 0 264.281 2.286 20 5 CEBDRM O=C(CC1CCOCC1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183916180 526371950 /nfs/dbraw/zinc/37/19/50/526371950.db2.gz IVOSCHIUJZNICO-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM O=C([N-]c1n[nH]c(C2CCC2)n1)c1ccc([N+](=O)[O-])s1 ZINC000184561162 527496799 /nfs/dbraw/zinc/49/67/99/527496799.db2.gz XMXJWDPCYDJFTR-UHFFFAOYSA-N -1 0 293.308 2.294 20 5 CEBDRM CCCn1nccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181960199 535641643 /nfs/dbraw/zinc/64/16/43/535641643.db2.gz VERJTEKFYPKWAH-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM CC[C@H](NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000263211629 535873521 /nfs/dbraw/zinc/87/35/21/535873521.db2.gz WTHMZLVVBQAUCI-NSHDSACASA-N -1 0 294.307 2.311 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000738573596 574868169 /nfs/dbraw/zinc/86/81/69/574868169.db2.gz MFTJHCGABRSLOJ-UHFFFAOYSA-N -1 0 285.227 2.146 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739193059 574899049 /nfs/dbraw/zinc/89/90/49/574899049.db2.gz KQMMGYGGBZTVHL-SKDRFNHKSA-N -1 0 279.296 2.077 20 5 CEBDRM O=C([O-])CCSCCNc1ccccc1[N+](=O)[O-] ZINC000739751988 574932644 /nfs/dbraw/zinc/93/26/44/574932644.db2.gz LJIYKTXAHGMBOJ-UHFFFAOYSA-N -1 0 270.310 2.215 20 5 CEBDRM O=C([O-])N1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000739927391 574936792 /nfs/dbraw/zinc/93/67/92/574936792.db2.gz GLWOIOVNTVCWMU-SNVBAGLBSA-N -1 0 265.269 2.149 20 5 CEBDRM Cc1cc(N2CCC(N(C)C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000740079145 574941332 /nfs/dbraw/zinc/94/13/32/574941332.db2.gz XQDIIZNTNTVYSG-UHFFFAOYSA-N -1 0 293.323 2.482 20 5 CEBDRM O=C([O-])N1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000740521907 574957944 /nfs/dbraw/zinc/95/79/44/574957944.db2.gz XCMBTVZAUVBGPO-VIFPVBQESA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])N1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000740521477 574958005 /nfs/dbraw/zinc/95/80/05/574958005.db2.gz RNLPIHRCOVBFIB-SECBINFHSA-N -1 0 283.259 2.288 20 5 CEBDRM O=C([O-])NCCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000740650932 574963076 /nfs/dbraw/zinc/96/30/76/574963076.db2.gz BSKKHUCSOIURIA-UHFFFAOYSA-N -1 0 296.308 2.274 20 5 CEBDRM CN(CCOC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccccc1 ZINC000747173418 575168232 /nfs/dbraw/zinc/16/82/32/575168232.db2.gz VTNGKHMGSWEEIA-UHFFFAOYSA-N -1 0 289.291 2.216 20 5 CEBDRM O=C([O-])c1ccc(COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000819687525 597312117 /nfs/dbraw/zinc/31/21/17/597312117.db2.gz RIYLNSNNDVTFEM-UHFFFAOYSA-N -1 0 291.215 2.243 20 5 CEBDRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000163425306 600121734 /nfs/dbraw/zinc/12/17/34/600121734.db2.gz IHCJHSCNHHTIHC-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM C/C(=C\COc1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000088629814 600728034 /nfs/dbraw/zinc/72/80/34/600728034.db2.gz YLFLNFCKDGVFIU-WEVVVXLNSA-N -1 0 251.238 2.313 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000235364023 601562570 /nfs/dbraw/zinc/56/25/70/601562570.db2.gz YLTCPVLWRLEVQT-VXNVDRBHSA-N -1 0 284.699 2.405 20 5 CEBDRM O=C([O-])c1occc1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000833346548 601794398 /nfs/dbraw/zinc/79/43/98/601794398.db2.gz RLCMPJDZYOIVIQ-UPHRSURJSA-N -1 0 260.205 2.451 20 5 CEBDRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000827324268 602186729 /nfs/dbraw/zinc/18/67/29/602186729.db2.gz BXXMIVJKWJTXGG-DTWKUNHWSA-N -1 0 281.264 2.310 20 5 CEBDRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000739318820 602328953 /nfs/dbraw/zinc/32/89/53/602328953.db2.gz FSZOBIJSWHLGFH-JTQLQIEISA-N -1 0 295.295 2.278 20 5 CEBDRM O=C(C[C@@H]1CCCN1C(=O)[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000831339299 603212565 /nfs/dbraw/zinc/21/25/65/603212565.db2.gz GIOKAHRCZNIZOZ-JTQLQIEISA-N -1 0 293.279 2.066 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740176154 603405341 /nfs/dbraw/zinc/40/53/41/603405341.db2.gz WZRTVBUUCIEBIY-QWRGUYRKSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000042161907 604467649 /nfs/dbraw/zinc/46/76/49/604467649.db2.gz QBJVRMMGWXPNLY-QMMMGPOBSA-N -1 0 268.244 2.177 20 5 CEBDRM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000042703921 604624706 /nfs/dbraw/zinc/62/47/06/604624706.db2.gz CCFXOUVNSQNQRY-SSDOTTSWSA-N -1 0 272.688 2.405 20 5 CEBDRM C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000833694661 604672382 /nfs/dbraw/zinc/67/23/82/604672382.db2.gz XPZOBPQMAYZPGD-UHFFFAOYSA-N -1 0 294.307 2.130 20 5 CEBDRM C[C@H](Nc1ccc(C(=O)[O-])nn1)c1ccccc1[N+](=O)[O-] ZINC000833524164 605052322 /nfs/dbraw/zinc/05/23/22/605052322.db2.gz BUBLYXITKIEUKL-QMMMGPOBSA-N -1 0 288.263 2.256 20 5 CEBDRM CC(C)(CNc1ncnc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000164881257 605141758 /nfs/dbraw/zinc/14/17/58/605141758.db2.gz SVRUHJHFUALVEP-UHFFFAOYSA-N -1 0 290.279 2.061 20 5 CEBDRM CC(C)(C)C[C@H](OC(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000833429081 605235440 /nfs/dbraw/zinc/23/54/40/605235440.db2.gz GYVHDHQPDACZNT-JTQLQIEISA-N -1 0 296.279 2.036 20 5 CEBDRM CC(C)(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000823849775 605567835 /nfs/dbraw/zinc/56/78/35/605567835.db2.gz IYAKQWGJSXUFED-SNVBAGLBSA-N -1 0 295.295 2.216 20 5 CEBDRM COc1cc(C=Cc2n[nH]cc2C=O)cc([N+](=O)[O-])c1[O-] ZINC000255673293 625374124 /nfs/dbraw/zinc/37/41/24/625374124.db2.gz SYPLCAKCZRFWGW-IHWYPQMZSA-N -1 0 289.247 2.015 20 5 CEBDRM O=C(Nn1cnc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179407122 625420405 /nfs/dbraw/zinc/42/04/05/625420405.db2.gz WQDPSSFZSXUAPA-UHFFFAOYSA-N -1 0 298.258 2.034 20 5 CEBDRM O=C([O-])Cc1ccc(N2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906147947 636624717 /nfs/dbraw/zinc/62/47/17/636624717.db2.gz CQNMVAUPNMBESP-LLVKDONJSA-N -1 0 296.298 2.408 20 5 CEBDRM C/C(=C/CNc1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000906150680 636626876 /nfs/dbraw/zinc/62/68/76/636626876.db2.gz OBTHKHBAVSVKPN-UITAMQMPSA-N -1 0 250.254 2.346 20 5 CEBDRM CSC(C)(C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000832009369 637479442 /nfs/dbraw/zinc/47/94/42/637479442.db2.gz CBBGJHPSOZRWQU-UHFFFAOYSA-N -1 0 270.310 2.381 20 5 CEBDRM O=C([O-])CCN(CC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000910414655 638039265 /nfs/dbraw/zinc/03/92/65/638039265.db2.gz OWOIYXBKEWJVQH-UHFFFAOYSA-N -1 0 270.310 2.347 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCOCC1 ZINC000837689532 639343944 /nfs/dbraw/zinc/34/39/44/639343944.db2.gz ALRPWVCAXNFVQV-JTQLQIEISA-N -1 0 295.291 2.160 20 5 CEBDRM Cc1cc(NCCC(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841487598 639775466 /nfs/dbraw/zinc/77/54/66/639775466.db2.gz YLJCTEADVDTHQA-UHFFFAOYSA-N -1 0 258.661 2.443 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1NCCCCC(=O)[O-] ZINC000841505857 639779260 /nfs/dbraw/zinc/77/92/60/639779260.db2.gz UUCKQASRTVEAFV-UHFFFAOYSA-N -1 0 280.280 2.464 20 5 CEBDRM C[C@@H]1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000844206903 640631974 /nfs/dbraw/zinc/63/19/74/640631974.db2.gz OHMXHTNQZZJTST-DREQKGALSA-N -1 0 292.291 2.282 20 5 CEBDRM C[C@@H]1CCCN1c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209596 640632662 /nfs/dbraw/zinc/63/26/62/640632662.db2.gz XEBZDAJZTZOCGM-SECBINFHSA-N -1 0 264.281 2.211 20 5 CEBDRM C[C@@]1(O)C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844213214 640633446 /nfs/dbraw/zinc/63/34/46/640633446.db2.gz HQLILABGJLUHGO-MAGLCMOBSA-N -1 0 292.291 2.018 20 5 CEBDRM CC1=CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844216227 640634850 /nfs/dbraw/zinc/63/48/50/640634850.db2.gz CSNAZKCPMGHYIV-UHFFFAOYSA-N -1 0 276.292 2.378 20 5 CEBDRM Cc1ccc([C@@H](C)NC(=O)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000844248622 640645266 /nfs/dbraw/zinc/64/52/66/640645266.db2.gz CKIAWSZJMLSDRT-SNVBAGLBSA-N -1 0 294.307 2.335 20 5 CEBDRM Nc1ccc(NC[C@H](CC(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000849348067 642339201 /nfs/dbraw/zinc/33/92/01/642339201.db2.gz GPFWZEFPKVUUMZ-VIFPVBQESA-N -1 0 279.296 2.090 20 5 CEBDRM Nc1ccc(N2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000852910276 643596339 /nfs/dbraw/zinc/59/63/39/643596339.db2.gz QYRYFZXGLHJQAG-SNVBAGLBSA-N -1 0 293.323 2.258 20 5 CEBDRM Nc1ccc(NC2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000841505598 643802635 /nfs/dbraw/zinc/80/26/35/643802635.db2.gz ACRBJYKFRQTAAE-UHFFFAOYSA-N -1 0 279.296 2.232 20 5 CEBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc(C2CC2)no1 ZINC000761177436 645254294 /nfs/dbraw/zinc/25/42/94/645254294.db2.gz LBARABFUQINXPB-LURJTMIESA-N -1 0 292.251 2.101 20 5 CEBDRM Cc1nc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)s1 ZINC000770180368 646366491 /nfs/dbraw/zinc/36/64/91/646366491.db2.gz OOFVSNBDTSGVJU-UHFFFAOYSA-N -1 0 281.293 2.353 20 5 CEBDRM CS[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000773191891 646714699 /nfs/dbraw/zinc/71/46/99/646714699.db2.gz NSANTTYFOJOJLF-SCZZXKLOSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C(NCC[C@H]1CCCS1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000871033726 648984960 /nfs/dbraw/zinc/98/49/60/648984960.db2.gz FODQXVCMKQFEMH-SNVBAGLBSA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](CF)C1 ZINC000881599086 651815441 /nfs/dbraw/zinc/81/54/41/651815441.db2.gz WRBFLWWUGNTOSV-SECBINFHSA-N -1 0 282.271 2.122 20 5 CEBDRM COc1cc(NC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000213807990 652317411 /nfs/dbraw/zinc/31/74/11/652317411.db2.gz GVPLOERDGDGEHD-QMMMGPOBSA-N -1 0 298.295 2.135 20 5 CEBDRM CN(c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H]1CCSC1 ZINC000037175554 815022287 /nfs/dbraw/zinc/02/22/87/815022287.db2.gz RKMWMFSBBQSRNG-VIFPVBQESA-N -1 0 282.321 2.235 20 5 CEBDRM Cc1ccc(N[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000037453246 361903581 /nfs/dbraw/zinc/90/35/81/361903581.db2.gz MTOUUACUQSKWSS-NSHDSACASA-N -1 0 252.270 2.424 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000028200027 297225889 /nfs/dbraw/zinc/22/58/89/297225889.db2.gz FKAMPSGLAAMPOG-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM CC1(F)CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000601869259 346919388 /nfs/dbraw/zinc/91/93/88/346919388.db2.gz QFWCLQFEJIJKFM-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164598389 529650564 /nfs/dbraw/zinc/65/05/64/529650564.db2.gz BRFREQQJMATDLR-VIFPVBQESA-N -1 0 266.297 2.419 20 5 CEBDRM CC[C@H](C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000041031374 362014661 /nfs/dbraw/zinc/01/46/61/362014661.db2.gz DLBPHOVWUSISHZ-QPUJVOFHSA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1nn(C)c(C)c1[N-]c1nc2sccn2c1[N+](=O)[O-] ZINC000008318338 343362333 /nfs/dbraw/zinc/36/23/33/343362333.db2.gz DEPZMMFDLZNFBB-UHFFFAOYSA-N -1 0 292.324 2.398 20 5 CEBDRM COCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000601943617 346935885 /nfs/dbraw/zinc/93/58/85/346935885.db2.gz RUKCFWUTGGHITD-UHFFFAOYSA-N -1 0 277.280 2.032 20 5 CEBDRM Cc1noc(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000039240806 343436111 /nfs/dbraw/zinc/43/61/11/343436111.db2.gz LBQJFRWNPQILCE-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000567980800 299103955 /nfs/dbraw/zinc/10/39/55/299103955.db2.gz NGQLOMGVTHXYID-ONGXEEELSA-N -1 0 294.307 2.297 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC2(CCCC2)C1 ZINC000093588798 344227505 /nfs/dbraw/zinc/22/75/05/344227505.db2.gz HQNLIZOJSOOJGJ-UHFFFAOYSA-N -1 0 292.335 2.445 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000133736738 344370191 /nfs/dbraw/zinc/37/01/91/344370191.db2.gz PYIAIIFSLYCWQM-BDAKNGLRSA-N -1 0 280.280 2.269 20 5 CEBDRM CCOc1cccc(NC[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000134884801 344378813 /nfs/dbraw/zinc/37/88/13/344378813.db2.gz URCVRKSCJSNXKQ-MRVPVSSYSA-N -1 0 268.269 2.126 20 5 CEBDRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000137090130 344386914 /nfs/dbraw/zinc/38/69/14/344386914.db2.gz ZAMZADRWABNJTL-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM CC(C)OCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000158982890 344453127 /nfs/dbraw/zinc/45/31/27/344453127.db2.gz QXOCQUONXVYSPP-UHFFFAOYSA-N -1 0 268.269 2.130 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000300439538 344700204 /nfs/dbraw/zinc/70/02/04/344700204.db2.gz IEXQOECHYHOMQN-NMSKTSORSA-N -1 0 294.307 2.298 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000591326763 345240571 /nfs/dbraw/zinc/24/05/71/345240571.db2.gz AFPGYHFYPHSICA-QMMMGPOBSA-N -1 0 270.310 2.347 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NCCCCC(=O)[O-])n1 ZINC000591326699 345240643 /nfs/dbraw/zinc/24/06/43/345240643.db2.gz IDYXCDMYZNWCJE-UHFFFAOYSA-N -1 0 267.285 2.273 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000590913051 345198787 /nfs/dbraw/zinc/19/87/87/345198787.db2.gz LIJMMGPZSTWPEO-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM Cc1cc(NC[C@H]2CC[C@H](O)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592975443 345417916 /nfs/dbraw/zinc/41/79/16/345417916.db2.gz OPSMNECFAMAMIX-ONGXEEELSA-N -1 0 294.307 2.174 20 5 CEBDRM CC1(C)[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC000593736922 345530430 /nfs/dbraw/zinc/53/04/30/345530430.db2.gz DHPKCEKNAIENDH-TXEJJXNPSA-N -1 0 290.319 2.381 20 5 CEBDRM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)(F)F ZINC000593740847 345531069 /nfs/dbraw/zinc/53/10/69/345531069.db2.gz SZBRTISJUVWFIN-UHFFFAOYSA-N -1 0 292.213 2.287 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC12CCCC2 ZINC000593758542 345533660 /nfs/dbraw/zinc/53/36/60/345533660.db2.gz MNBIHKGQDSFYCT-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000594040360 345571693 /nfs/dbraw/zinc/57/16/93/345571693.db2.gz FBSGTYOUSUHYAO-UHFFFAOYSA-N -1 0 276.296 2.060 20 5 CEBDRM Cc1sc(C(=O)N(CC(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000594465678 345636572 /nfs/dbraw/zinc/63/65/72/345636572.db2.gz IKRWDJULNOSWQN-UHFFFAOYSA-N -1 0 298.320 2.044 20 5 CEBDRM CC1(NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC=CC1 ZINC000594383038 345619353 /nfs/dbraw/zinc/61/93/53/345619353.db2.gz YEPWCPCOFWPXKP-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM Cc1ccnc(NC[C@H](CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000594737234 345682498 /nfs/dbraw/zinc/68/24/98/345682498.db2.gz ZXVJOZKVAWPOML-JTQLQIEISA-N -1 0 279.296 2.211 20 5 CEBDRM CCSC1(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000595277914 345753427 /nfs/dbraw/zinc/75/34/27/345753427.db2.gz QQYLVPAJZMRECL-UHFFFAOYSA-N -1 0 297.336 2.386 20 5 CEBDRM CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000310297442 201870000 /nfs/dbraw/zinc/87/00/00/201870000.db2.gz MIJVYFTXGVKEHX-UHFFFAOYSA-N -1 0 299.135 2.200 20 5 CEBDRM CC[C@H](C)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000597978244 346262222 /nfs/dbraw/zinc/26/22/22/346262222.db2.gz OFLGLSHPPVUKBY-VIFPVBQESA-N -1 0 266.297 2.466 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000085329096 179019946 /nfs/dbraw/zinc/01/99/46/179019946.db2.gz HHYSFSBUUXAOHC-APPZFPTMSA-N -1 0 268.244 2.399 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H]2C[C@H]2C1 ZINC000598330565 346328618 /nfs/dbraw/zinc/32/86/18/346328618.db2.gz NLDSYEIBACLKAA-YUMQZZPRSA-N -1 0 296.710 2.436 20 5 CEBDRM CC1CC(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000598663607 346396269 /nfs/dbraw/zinc/39/62/69/346396269.db2.gz WQKNTRSQYNHMKE-UHFFFAOYSA-N -1 0 292.291 2.069 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000600496205 346644707 /nfs/dbraw/zinc/64/47/07/346644707.db2.gz XDGPVVCDIJGEIG-RTUWITSCSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@@H]1C[C@H]1c1n[n-]c(=NCc2cccc([N+](=O)[O-])c2)o1 ZINC000601065206 346742045 /nfs/dbraw/zinc/74/20/45/346742045.db2.gz XEFGIWVIHGZBAC-LDYMZIIASA-N -1 0 274.280 2.135 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnoc2)c1C ZINC000604542171 347420843 /nfs/dbraw/zinc/42/08/43/347420843.db2.gz BYBJEQGNHUJZBP-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2(C(C)C)CC2)n1 ZINC000568515356 299141741 /nfs/dbraw/zinc/14/17/41/299141741.db2.gz OPQLCEDLRSGWAJ-UHFFFAOYSA-N -1 0 293.323 2.266 20 5 CEBDRM Cc1noc(C)c1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611289783 347763709 /nfs/dbraw/zinc/76/37/09/347763709.db2.gz SPPJUGOLRNRIOJ-UHFFFAOYSA-N -1 0 291.263 2.182 20 5 CEBDRM CC(C)C1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000612556708 347900951 /nfs/dbraw/zinc/90/09/51/347900951.db2.gz NLYHKCWNTREQKQ-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613996842 348131904 /nfs/dbraw/zinc/13/19/04/348131904.db2.gz YTHFXNNFUHCPBX-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@@H]1C[C@@H]1CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000357307605 233040614 /nfs/dbraw/zinc/04/06/14/233040614.db2.gz DBEUYQQKSDUSPU-PSASIEDQSA-N -1 0 274.280 2.135 20 5 CEBDRM O=C(Nc1cc(F)ccc1O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357631955 233112872 /nfs/dbraw/zinc/11/28/72/233112872.db2.gz HVQSLPPRLLDJLK-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C([O-])c1cc(NCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000111239261 186374265 /nfs/dbraw/zinc/37/42/65/186374265.db2.gz CVDSEMQCQRCYLI-UHFFFAOYSA-N -1 0 280.280 2.132 20 5 CEBDRM CN(C[C@H]1CCCOC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000111239253 186374613 /nfs/dbraw/zinc/37/46/13/186374613.db2.gz KYPLCSMXZQCCBJ-SNVBAGLBSA-N -1 0 294.307 2.156 20 5 CEBDRM CC[C@@H](C)CON=c1[n-]c(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000291960266 198118175 /nfs/dbraw/zinc/11/81/75/198118175.db2.gz VDWUKWTVPFWHJE-MRVPVSSYSA-N -1 0 297.311 2.474 20 5 CEBDRM C[C@H]1CCCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000578015881 366430526 /nfs/dbraw/zinc/43/05/26/366430526.db2.gz ACMRBPLTIQDXPO-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM CC[C@H](C)CN(C)c1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000579479368 366652949 /nfs/dbraw/zinc/65/29/49/366652949.db2.gz WZTCFDXNHKBVMY-QMMMGPOBSA-N -1 0 281.312 2.479 20 5 CEBDRM CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000089541106 363977571 /nfs/dbraw/zinc/97/75/71/363977571.db2.gz MFILPPMLBVHMIF-UHFFFAOYSA-N -1 0 290.279 2.399 20 5 CEBDRM CC[C@H](C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546688 364080723 /nfs/dbraw/zinc/08/07/23/364080723.db2.gz YMPLSNQAHBEKGI-QMMMGPOBSA-N -1 0 268.269 2.054 20 5 CEBDRM CC[C@@H](Sc1c([N+](=O)[O-])c(C)nn1CC)C(=O)[O-] ZINC000097824454 364520687 /nfs/dbraw/zinc/52/06/87/364520687.db2.gz ISCJEPUHFBPBAE-SSDOTTSWSA-N -1 0 273.314 2.075 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119337180 365256114 /nfs/dbraw/zinc/25/61/14/365256114.db2.gz KQDNDPHLDSPULJ-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM CC(C)CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119480921 365279819 /nfs/dbraw/zinc/27/98/19/365279819.db2.gz CPKIRMXZYPZZNJ-UHFFFAOYSA-N -1 0 292.744 2.183 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000164927167 367299684 /nfs/dbraw/zinc/29/96/84/367299684.db2.gz FJBCYQRICTUMRM-GHMZBOCLSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC2(CC2)C1 ZINC000184097420 368671104 /nfs/dbraw/zinc/67/11/04/368671104.db2.gz GQYXUVDDUKCGKU-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC1(C)[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@@H]21 ZINC000187259602 369129657 /nfs/dbraw/zinc/12/96/57/369129657.db2.gz TXEZFSCNRDYPPG-PHIMTYICSA-N -1 0 276.292 2.028 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000187874727 369242715 /nfs/dbraw/zinc/24/27/15/369242715.db2.gz KJKLGNHWOSUXAZ-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)[C@@H]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000330780202 203227180 /nfs/dbraw/zinc/22/71/80/203227180.db2.gz NNOFOYHGCASKAG-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2ccoc2)cc1[N+](=O)[O-] ZINC000349948507 369460909 /nfs/dbraw/zinc/46/09/09/369460909.db2.gz PJMAJBBXZSMFMP-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM C[C@@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000350650121 369562345 /nfs/dbraw/zinc/56/23/45/369562345.db2.gz KZBFCAPCVSTESZ-SVRRBLITSA-N -1 0 261.237 2.474 20 5 CEBDRM O=C(Nc1cccc2[nH]cnc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352979110 369967584 /nfs/dbraw/zinc/96/75/84/369967584.db2.gz ZEVGTXNVUQTGPP-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000211913310 370164875 /nfs/dbraw/zinc/16/48/75/370164875.db2.gz MIMCGHBHCOMOJV-DTORHVGOSA-N -1 0 264.281 2.385 20 5 CEBDRM CC(C)C1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000232646664 370508754 /nfs/dbraw/zinc/50/87/54/370508754.db2.gz RYZYLGXENTVYCT-UHFFFAOYSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000355568390 370602685 /nfs/dbraw/zinc/60/26/85/370602685.db2.gz BMVPRBMPALXIGB-MRVPVSSYSA-N -1 0 282.321 2.382 20 5 CEBDRM O=C(NCC1(C(F)F)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355470031 370564239 /nfs/dbraw/zinc/56/42/39/370564239.db2.gz YKWWXMUWDJQRDU-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM C[C@H]1[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1(F)F ZINC000361662642 372013747 /nfs/dbraw/zinc/01/37/47/372013747.db2.gz QYYABQYLIBTBPB-CDUCUWFYSA-N -1 0 272.207 2.140 20 5 CEBDRM CC[C@@H](C)N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000362828763 372538226 /nfs/dbraw/zinc/53/82/26/372538226.db2.gz YOARJHPMAMHYET-MRVPVSSYSA-N -1 0 262.269 2.277 20 5 CEBDRM CCCCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280670580 375279021 /nfs/dbraw/zinc/27/90/21/375279021.db2.gz BIOZDUPIYOKVEH-UHFFFAOYSA-N -1 0 252.270 2.220 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@@H]21 ZINC000408374654 375464122 /nfs/dbraw/zinc/46/41/22/375464122.db2.gz IODJSDQSGIMHJL-RNCFNFMXSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000130327425 304192095 /nfs/dbraw/zinc/19/20/95/304192095.db2.gz BHGWQMDMWRODEF-VIFPVBQESA-N -1 0 287.275 2.054 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000287997682 376357049 /nfs/dbraw/zinc/35/70/49/376357049.db2.gz IELKLOVBKIHECK-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM CC1(C)CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000389208730 321889465 /nfs/dbraw/zinc/88/94/65/321889465.db2.gz SYTNGCCSZFIMAY-JTQLQIEISA-N -1 0 264.281 2.219 20 5 CEBDRM CC1(C)C[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000389411607 321890252 /nfs/dbraw/zinc/89/02/52/321890252.db2.gz LGUWPZGRPRWYCF-ZETCQYMHSA-N -1 0 265.269 2.146 20 5 CEBDRM CCC(CC)(CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OC ZINC000314208238 376766706 /nfs/dbraw/zinc/76/67/06/376766706.db2.gz UONJPSGGWWDWBZ-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000565036004 377538756 /nfs/dbraw/zinc/53/87/56/377538756.db2.gz OORFQASHQOUJLD-BXKDBHETSA-N -1 0 294.307 2.256 20 5 CEBDRM Cc1csc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000181997869 249332270 /nfs/dbraw/zinc/33/22/70/249332270.db2.gz BYAQOIQPZKDWFJ-UHFFFAOYSA-N -1 0 293.304 2.342 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NCc3ccco3)[n-]2)cc1 ZINC000346438707 217906178 /nfs/dbraw/zinc/90/61/78/217906178.db2.gz XVGKHIGEARWBRD-UHFFFAOYSA-N -1 0 286.247 2.272 20 5 CEBDRM O=C([O-])c1cc(S[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000262983721 304227684 /nfs/dbraw/zinc/22/76/84/304227684.db2.gz NLWIROIMYLJOJH-MRVPVSSYSA-N -1 0 269.278 2.174 20 5 CEBDRM CO[C@H]1CC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000575049222 299552840 /nfs/dbraw/zinc/55/28/40/299552840.db2.gz XTEHKJGEZRDUAX-QWRGUYRKSA-N -1 0 294.307 2.201 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2cc[nH]c2n1 ZINC000354597628 220830858 /nfs/dbraw/zinc/83/08/58/220830858.db2.gz ATHWSCIEFSDKGA-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000281256958 195170761 /nfs/dbraw/zinc/17/07/61/195170761.db2.gz QNYLHTSTLFXVEZ-BDAKNGLRSA-N -1 0 292.291 2.244 20 5 CEBDRM O=C([O-])CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000094291107 184776757 /nfs/dbraw/zinc/77/67/57/184776757.db2.gz BSRHYAXUJQHHSW-UHFFFAOYSA-N -1 0 293.279 2.114 20 5 CEBDRM C[C@@H](O)[C@@H](C)SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000413003489 394458211 /nfs/dbraw/zinc/45/82/11/394458211.db2.gz XDVUDGAFKYABIH-HTQZYQBOSA-N -1 0 257.311 2.303 20 5 CEBDRM C[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1(F)F ZINC000421792298 394596491 /nfs/dbraw/zinc/59/64/91/394596491.db2.gz NWFVGOYABHKZHH-JTQLQIEISA-N -1 0 272.207 2.284 20 5 CEBDRM C[C@@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000132182369 394925703 /nfs/dbraw/zinc/92/57/03/394925703.db2.gz WJRFXNUFWSPRLA-PSASIEDQSA-N -1 0 264.281 2.219 20 5 CEBDRM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(C)C ZINC000416257185 395039756 /nfs/dbraw/zinc/03/97/56/395039756.db2.gz BRJNJLFFDCHVSM-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM CO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])CC(C)C ZINC000416259878 395040193 /nfs/dbraw/zinc/04/01/93/395040193.db2.gz IQMFTTPTYOKZEQ-SNVBAGLBSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1cnccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000436618397 395135603 /nfs/dbraw/zinc/13/56/03/395135603.db2.gz LGHOIGJGIJMARJ-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C(NC[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436738937 395150880 /nfs/dbraw/zinc/15/08/80/395150880.db2.gz MVSUMDYORKWCOF-VIFPVBQESA-N -1 0 296.348 2.173 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436774025 395153326 /nfs/dbraw/zinc/15/33/26/395153326.db2.gz UZUFRLMNUUVOSL-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000182174209 395235319 /nfs/dbraw/zinc/23/53/19/395235319.db2.gz QRVQFBGACSIQPT-VHSXEESVSA-N -1 0 278.308 2.419 20 5 CEBDRM CO[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000520234952 395239297 /nfs/dbraw/zinc/23/92/97/395239297.db2.gz LFJWJNGVTFPDOA-SFYZADRCSA-N -1 0 268.269 2.128 20 5 CEBDRM CC(C)(C(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000574694755 395635406 /nfs/dbraw/zinc/63/54/06/395635406.db2.gz RNLNOGOZRSOFDE-UHFFFAOYSA-N -1 0 293.323 2.317 20 5 CEBDRM CCCc1nc(=NCCc2cccc([N+](=O)[O-])c2)s[n-]1 ZINC000360092221 155216891 /nfs/dbraw/zinc/21/68/91/155216891.db2.gz ZLFVSIKPDAUJFO-UHFFFAOYSA-N -1 0 292.364 2.475 20 5 CEBDRM CSC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000190893254 153146454 /nfs/dbraw/zinc/14/64/54/153146454.db2.gz ZXMOQYVBOINSGO-UHFFFAOYSA-N -1 0 268.294 2.135 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)no2)cc1[O-] ZINC000191233511 153164764 /nfs/dbraw/zinc/16/47/64/153164764.db2.gz GXLDOOSITBLGBE-UHFFFAOYSA-N -1 0 284.231 2.412 20 5 CEBDRM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000217316038 153298514 /nfs/dbraw/zinc/29/85/14/153298514.db2.gz QGYVIUQORKJIHH-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119314424 296693757 /nfs/dbraw/zinc/69/37/57/296693757.db2.gz DCKSIVNASMNTLK-DTORHVGOSA-N -1 0 264.281 2.313 20 5 CEBDRM COc1cc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000263090232 154014755 /nfs/dbraw/zinc/01/47/55/154014755.db2.gz CCDGLTGGNYVXTE-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000263287164 154047366 /nfs/dbraw/zinc/04/73/66/154047366.db2.gz YFJLRYJWQFLYBL-SNVBAGLBSA-N -1 0 294.307 2.004 20 5 CEBDRM CCC(=O)c1ccc(N[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263440940 154086994 /nfs/dbraw/zinc/08/69/94/154086994.db2.gz WXMHAPUCZOHWIE-ZETCQYMHSA-N -1 0 266.253 2.073 20 5 CEBDRM O=C([O-])[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000020278775 171132740 /nfs/dbraw/zinc/13/27/40/171132740.db2.gz RBJPJNALMPWTGQ-GFCCVEGCSA-N -1 0 287.275 2.098 20 5 CEBDRM Cc1c(C(=O)NC2(C(=O)[O-])CCCC2)cccc1[N+](=O)[O-] ZINC000037329769 173131418 /nfs/dbraw/zinc/13/14/18/173131418.db2.gz OUJRNMYVTYKQGV-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM O=C([O-])C1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000037561841 173272390 /nfs/dbraw/zinc/27/23/90/173272390.db2.gz ANDQLJYIERPINT-UHFFFAOYSA-N -1 0 265.269 2.045 20 5 CEBDRM Cc1cc(NC(=O)N(C)CCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000043570315 175067713 /nfs/dbraw/zinc/06/77/13/175067713.db2.gz HZFCBIZLCTVQAY-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM CC[C@@H](C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747662 175243314 /nfs/dbraw/zinc/24/33/14/175243314.db2.gz CACFXYPYUZAIDS-PRHODGIISA-N -1 0 294.307 2.132 20 5 CEBDRM Cc1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000078838881 177396962 /nfs/dbraw/zinc/39/69/62/177396962.db2.gz SNOLUXQPHDVPKA-UHFFFAOYSA-N -1 0 280.280 2.343 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)[C@H](C)O1 ZINC000521050107 260260156 /nfs/dbraw/zinc/26/01/56/260260156.db2.gz ADYFKYSLJPOULK-UTLUCORTSA-N -1 0 294.307 2.295 20 5 CEBDRM C[C@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000519160813 265347718 /nfs/dbraw/zinc/34/77/18/265347718.db2.gz UFOPTENOQXSHTF-ONGXEEELSA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1C ZINC000399573873 270370980 /nfs/dbraw/zinc/37/09/80/270370980.db2.gz PNNXAUCPZVKVHS-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(NCCC1(F)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436729585 271686103 /nfs/dbraw/zinc/68/61/03/271686103.db2.gz RYYMRWURXWTWLA-UHFFFAOYSA-N -1 0 282.271 2.313 20 5 CEBDRM CC(C)OC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000394944670 280671577 /nfs/dbraw/zinc/67/15/77/280671577.db2.gz UIPLNQMXUHSADK-UHFFFAOYSA-N -1 0 282.296 2.443 20 5 CEBDRM CCc1noc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000154135947 289136187 /nfs/dbraw/zinc/13/61/87/289136187.db2.gz ISKRTXHXVMLSCU-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM O=[N+]([O-])c1cc(-c2nc3cc[nH]cc-3n2)ccc1[O-] ZINC000154591727 289150511 /nfs/dbraw/zinc/15/05/11/289150511.db2.gz BNKIVTUEVUHJOH-UHFFFAOYSA-N -1 0 256.221 2.239 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C)S1 ZINC000155052848 289163146 /nfs/dbraw/zinc/16/31/46/289163146.db2.gz KXYDTOMNAVMHSA-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM CC1(C)C[C@@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486949251 290323242 /nfs/dbraw/zinc/32/32/42/290323242.db2.gz HVPDRCLGCITJGX-JTQLQIEISA-N -1 0 274.280 2.277 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000263273151 297216695 /nfs/dbraw/zinc/21/66/95/297216695.db2.gz WFNFPPHTVDOYOU-RKDXNWHRSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](C2CC2)C1 ZINC000374303395 304530884 /nfs/dbraw/zinc/53/08/84/304530884.db2.gz UIPDQYUISHVKGY-LLVKDONJSA-N -1 0 276.292 2.173 20 5 CEBDRM CCOc1cc(C[N@H+](CC(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000566567726 299004224 /nfs/dbraw/zinc/00/42/24/299004224.db2.gz VMJRICIVHVONAC-UHFFFAOYSA-N -1 0 296.323 2.289 20 5 CEBDRM C[C@H]1CC[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000160406226 300063370 /nfs/dbraw/zinc/06/33/70/300063370.db2.gz NQXJQRGHZXGTHQ-IUCAKERBSA-N -1 0 264.281 2.313 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000217315940 300188280 /nfs/dbraw/zinc/18/82/80/300188280.db2.gz CHQOJPCUOJFXOE-IUCAKERBSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000119440546 300193605 /nfs/dbraw/zinc/19/36/05/300193605.db2.gz YUMFBBCUHPYEER-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000191303920 300385678 /nfs/dbraw/zinc/38/56/78/300385678.db2.gz XYVKZILJPHBUEP-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM Cc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184753185 302290396 /nfs/dbraw/zinc/29/03/96/302290396.db2.gz LEUCXTUVWXDPAT-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@@H]3CC[C@H](F)C3)[n-]2)cc1 ZINC000340874983 304801891 /nfs/dbraw/zinc/80/18/91/304801891.db2.gz LCLXGZKKUKUTAH-VHSXEESVSA-N -1 0 292.270 2.369 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2ccccc2[N+](=O)[O-])ncn1 ZINC000533582868 313371501 /nfs/dbraw/zinc/37/15/01/313371501.db2.gz PUCMWGOZQQFXEH-AATRIKPKSA-N -1 0 271.232 2.253 20 5 CEBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000543735779 313463995 /nfs/dbraw/zinc/46/39/95/313463995.db2.gz DGTIIBLVSCRGRV-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM CC1(C)CC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000571049238 314069598 /nfs/dbraw/zinc/06/95/98/314069598.db2.gz GLOIHMKPDGTJPX-MRVPVSSYSA-N -1 0 295.295 2.058 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nccs1 ZINC000184768483 321735248 /nfs/dbraw/zinc/73/52/48/321735248.db2.gz RNYVQGJDMMTPDD-UHFFFAOYSA-N -1 0 279.277 2.034 20 5 CEBDRM Cc1cc(N[C@H](C)C[C@@H](C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581550560 322405736 /nfs/dbraw/zinc/40/57/36/322405736.db2.gz FGNPQZKYSGWELX-RKDXNWHRSA-N -1 0 282.296 2.173 20 5 CEBDRM C[C@@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000558581087 327107358 /nfs/dbraw/zinc/10/73/58/327107358.db2.gz XZGTVACDQLMEAN-MRVPVSSYSA-N -1 0 293.279 2.167 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000163503481 534299922 /nfs/dbraw/zinc/29/99/22/534299922.db2.gz AAGTWONJCIXIPV-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM CC[C@@H]1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000182911539 523531481 /nfs/dbraw/zinc/53/14/81/523531481.db2.gz XPOLUOSGKYGKQE-GXSJLCMTSA-N -1 0 294.307 2.444 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178832475 534759226 /nfs/dbraw/zinc/75/92/26/534759226.db2.gz GQOGOJLYTQMLMD-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000061609707 526304118 /nfs/dbraw/zinc/30/41/18/526304118.db2.gz VVPPDPCRMLMJJG-GFCCVEGCSA-N -1 0 287.275 2.270 20 5 CEBDRM O=C([O-])CCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000050923996 527575313 /nfs/dbraw/zinc/57/53/13/527575313.db2.gz KASDAMUXHLUROJ-UHFFFAOYSA-N -1 0 279.296 2.071 20 5 CEBDRM CN(C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662602 574500622 /nfs/dbraw/zinc/50/06/22/574500622.db2.gz BAXOUWOFISCUPS-VIFPVBQESA-N -1 0 297.286 2.170 20 5 CEBDRM CC1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])COC1 ZINC000736737902 574795420 /nfs/dbraw/zinc/79/54/20/574795420.db2.gz DLGVJAHXCFRHBW-HYXAFXHYSA-N -1 0 292.291 2.141 20 5 CEBDRM Cc1ccc(NC(=O)CCSCC(=O)[O-])cc1[N+](=O)[O-] ZINC000738621394 574871330 /nfs/dbraw/zinc/87/13/30/574871330.db2.gz HAOWDVZHGBQDTQ-UHFFFAOYSA-N -1 0 298.320 2.050 20 5 CEBDRM O=C([O-])NC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740645949 574962771 /nfs/dbraw/zinc/96/27/71/574962771.db2.gz PXJKXNCSBCIOQQ-MRVPVSSYSA-N -1 0 299.714 2.342 20 5 CEBDRM O=C([O-])CCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821524028 597824062 /nfs/dbraw/zinc/82/40/62/597824062.db2.gz CWLVYUJUZVTATD-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])[nH]1 ZINC000163353485 600121757 /nfs/dbraw/zinc/12/17/57/600121757.db2.gz JUFIEVPMXUZCJW-UHFFFAOYSA-N -1 0 289.247 2.182 20 5 CEBDRM Cc1cc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ncn1 ZINC000217320052 600522124 /nfs/dbraw/zinc/52/21/24/600522124.db2.gz UXDSLVYYCLGMRX-UHFFFAOYSA-N -1 0 275.220 2.184 20 5 CEBDRM CCOCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000087325397 600818297 /nfs/dbraw/zinc/81/82/97/600818297.db2.gz DNTQQTAGMVSADH-UHFFFAOYSA-N -1 0 269.253 2.098 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000088147244 601012992 /nfs/dbraw/zinc/01/29/92/601012992.db2.gz REPBSHFHADKEES-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM C/C(=C/COc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000214759685 601098722 /nfs/dbraw/zinc/09/87/22/601098722.db2.gz RJYDHXJRTDEJCZ-UITAMQMPSA-N -1 0 251.238 2.313 20 5 CEBDRM CC[C@@](C)(CO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000828685765 601140565 /nfs/dbraw/zinc/14/05/65/601140565.db2.gz QXHOUBSHBXOQPV-DYLGSBMWSA-N -1 0 294.307 2.266 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000111471762 601146880 /nfs/dbraw/zinc/14/68/80/601146880.db2.gz ABFRBHJWCSYTSE-NXEZZACHSA-N -1 0 292.291 2.424 20 5 CEBDRM O=C([O-])c1cc(OCc2ccccn2)ccc1[N+](=O)[O-] ZINC000236479687 601407178 /nfs/dbraw/zinc/40/71/78/601407178.db2.gz KLFJDZLVGYOGOH-UHFFFAOYSA-N -1 0 274.232 2.267 20 5 CEBDRM COCC[C@H](C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000300272888 601826196 /nfs/dbraw/zinc/82/61/96/601826196.db2.gz NVRFPZOULWJGID-QMMMGPOBSA-N -1 0 269.253 2.097 20 5 CEBDRM Cc1cc(NCCNC(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000830121293 603443033 /nfs/dbraw/zinc/44/30/33/603443033.db2.gz BGTRHBSOUHSXJJ-UHFFFAOYSA-N -1 0 273.676 2.236 20 5 CEBDRM Cc1cc(NCC(C)(C)NC(=O)[O-])ccc1[N+](=O)[O-] ZINC000830122292 603520925 /nfs/dbraw/zinc/52/09/25/603520925.db2.gz LKBRRTHPDLDLOD-UHFFFAOYSA-N -1 0 267.285 2.361 20 5 CEBDRM CC(C)[C@@H](CCN(C)c1ccc([N+](=O)[O-])nc1)NC(=O)[O-] ZINC000824105413 604227604 /nfs/dbraw/zinc/22/76/04/604227604.db2.gz UXUXPYDYZIRUMZ-LLVKDONJSA-N -1 0 296.327 2.108 20 5 CEBDRM C[C@@H](Sc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148413859 605013116 /nfs/dbraw/zinc/01/31/16/605013116.db2.gz BZORIRSBYHSUSC-SCSAIBSYSA-N -1 0 262.674 2.208 20 5 CEBDRM CC(C)(CNc1ncc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000824011661 605477891 /nfs/dbraw/zinc/47/78/91/605477891.db2.gz YBTQFOHOVZWWFU-UHFFFAOYSA-N -1 0 288.691 2.101 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CN(C)C(=O)[O-] ZINC000833907305 605541472 /nfs/dbraw/zinc/54/14/72/605541472.db2.gz GDIUMUNJRNSJMD-VIFPVBQESA-N -1 0 296.279 2.117 20 5 CEBDRM Cc1c(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000235457260 625573000 /nfs/dbraw/zinc/57/30/00/625573000.db2.gz KTECTFDRNRKUHX-MRVPVSSYSA-N -1 0 295.295 2.088 20 5 CEBDRM CSCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000890877068 623032831 /nfs/dbraw/zinc/03/28/31/623032831.db2.gz YJDLHWQXFOSYKF-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM O=Cc1c[nH]nc1C=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000255382076 623885149 /nfs/dbraw/zinc/88/51/49/623885149.db2.gz APXWNVLPSDBEPK-IWQZZHSRSA-N -1 0 259.221 2.006 20 5 CEBDRM O=C([O-])c1cc(C(=O)Nc2nccs2)cc([N+](=O)[O-])c1 ZINC000013253231 625898309 /nfs/dbraw/zinc/89/83/09/625898309.db2.gz WKGVESDZZIURSG-UHFFFAOYSA-N -1 0 293.260 2.002 20 5 CEBDRM CS[C@H](C)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000162855062 627337638 /nfs/dbraw/zinc/33/76/38/627337638.db2.gz LULWZMHLZIFHSI-SSDOTTSWSA-N -1 0 270.310 2.456 20 5 CEBDRM O=C(OCCCc1ccoc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000893339182 628367068 /nfs/dbraw/zinc/36/70/68/628367068.db2.gz ZIHRMWGDLGAVJO-UHFFFAOYSA-N -1 0 264.237 2.306 20 5 CEBDRM COc1cc(SCC(=O)[O-])c([N+](=O)[O-])cc1C ZINC000310359721 629176935 /nfs/dbraw/zinc/17/69/35/629176935.db2.gz JQHLYZOZLDQJLN-UHFFFAOYSA-N -1 0 257.267 2.089 20 5 CEBDRM C[C@]1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCCO1 ZINC000896179876 630492266 /nfs/dbraw/zinc/49/22/66/630492266.db2.gz ADHVPQUBZSCHJK-GFCCVEGCSA-N -1 0 267.285 2.067 20 5 CEBDRM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000808008160 631905677 /nfs/dbraw/zinc/90/56/77/631905677.db2.gz QUVBKSJUVXYYKA-NXEZZACHSA-N -1 0 293.323 2.208 20 5 CEBDRM CC(C)(C(=O)[N-]OCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000817331261 633630019 /nfs/dbraw/zinc/63/00/19/633630019.db2.gz XXTBHQZIUMCXEO-UHFFFAOYSA-N -1 0 278.308 2.330 20 5 CEBDRM CC(C)C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C(=O)[O-] ZINC000818617613 633961916 /nfs/dbraw/zinc/96/19/16/633961916.db2.gz DETQTQNDKUVDDW-SECBINFHSA-N -1 0 281.312 2.336 20 5 CEBDRM O=[N+]([O-])c1cc2c([n-]c1=NOC[C@H]1CCOC1)CCCC2 ZINC000825989498 635741920 /nfs/dbraw/zinc/74/19/20/635741920.db2.gz DKGBVDCEPXNONH-JTQLQIEISA-N -1 0 293.323 2.249 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000834653354 637905776 /nfs/dbraw/zinc/90/57/76/637905776.db2.gz BFRCUNBWKMNFCH-DTWKUNHWSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(N2C[C@@H](C)OC[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910343856 638008444 /nfs/dbraw/zinc/00/84/44/638008444.db2.gz NYLJBZMFPYAETA-NXEZZACHSA-N -1 0 294.307 2.215 20 5 CEBDRM CN(CCCC(=O)[O-])c1nccc2ccc([N+](=O)[O-])cc21 ZINC000910407443 638050322 /nfs/dbraw/zinc/05/03/22/638050322.db2.gz AJOLXCKIQGNFSM-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000911727378 638378944 /nfs/dbraw/zinc/37/89/44/638378944.db2.gz LTFKCFNVVHOJDY-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM O=[N+]([O-])c1ccc2nc(SCc3nnn[n-]3)sc2c1 ZINC000913396439 639270440 /nfs/dbraw/zinc/27/04/40/639270440.db2.gz KMEFLHGYJCDVGR-UHFFFAOYSA-N -1 0 294.321 2.010 20 5 CEBDRM CC1=C(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000837598610 639302092 /nfs/dbraw/zinc/30/20/92/639302092.db2.gz SKFMXKWUXHCCAB-UHFFFAOYSA-N -1 0 293.275 2.428 20 5 CEBDRM COCCC[C@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837619904 639311433 /nfs/dbraw/zinc/31/14/33/639311433.db2.gz FWDUOAKZILMGSV-JTQLQIEISA-N -1 0 297.307 2.406 20 5 CEBDRM CSC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000837662455 639332170 /nfs/dbraw/zinc/33/21/70/639332170.db2.gz LGPSAODMWMLTFN-UHFFFAOYSA-N -1 0 283.305 2.239 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000062874914 639792339 /nfs/dbraw/zinc/79/23/39/639792339.db2.gz BTGKTXAWGJMYMJ-AWEZNQCLSA-N -1 0 293.323 2.379 20 5 CEBDRM O=C(Nc1n[nH]c2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000754968488 644455057 /nfs/dbraw/zinc/45/50/57/644455057.db2.gz LJDUITLEEGDJRD-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM Cc1ccc2c(c1)N[C@H](c1ccc([N+](=O)[O-])c([O-])c1)NC2=O ZINC000877864167 650932461 /nfs/dbraw/zinc/93/24/61/650932461.db2.gz LNEGAGMUSXHEEI-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(OCCC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000756068221 644599841 /nfs/dbraw/zinc/59/98/41/644599841.db2.gz XCHSIVQYTLWTSJ-VIFPVBQESA-N -1 0 268.269 2.039 20 5 CEBDRM C[C@@H](Cc1ccco1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780361367 647420748 /nfs/dbraw/zinc/42/07/48/647420748.db2.gz HUYCWTPSATVZLO-VIFPVBQESA-N -1 0 290.275 2.254 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000869652637 648551203 /nfs/dbraw/zinc/55/12/03/648551203.db2.gz WAFIHXWNSYTXNK-VDDIYKPWSA-N -1 0 295.291 2.157 20 5 CEBDRM CCOc1cccc(N2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000130651962 652305862 /nfs/dbraw/zinc/30/58/62/652305862.db2.gz WFMWRXXNYGDNEO-UHFFFAOYSA-N -1 0 294.307 2.295 20 5 CEBDRM Cc1cccc2c1C(=O)N[C@@H](c1ccc([N+](=O)[O-])c([O-])c1)N2 ZINC000133717920 652707424 /nfs/dbraw/zinc/70/74/24/652707424.db2.gz BXBQMRZIMBUGTE-AWEZNQCLSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000300131538 806478329 /nfs/dbraw/zinc/47/83/29/806478329.db2.gz WVGBAFAQJMJRRX-BIMULSAOSA-N -1 0 276.292 2.284 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](CF)C1 ZINC000711471935 810074329 /nfs/dbraw/zinc/07/43/29/810074329.db2.gz VHVFYHMOABZFSL-SECBINFHSA-N -1 0 282.271 2.122 20 5 CEBDRM O=C([O-])c1cc(N2C[C@@H]3CSC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000711543359 810082652 /nfs/dbraw/zinc/08/26/52/810082652.db2.gz UGLXWCHYXPBEDS-DTORHVGOSA-N -1 0 294.332 2.092 20 5 CEBDRM CCOc1cc(NCc2cc(=O)[n-]o2)ccc1[N+](=O)[O-] ZINC001169493544 811541307 /nfs/dbraw/zinc/54/13/07/811541307.db2.gz VXAMAUWHACZBHP-UHFFFAOYSA-N -1 0 279.252 2.299 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(NCc2cc(=O)[n-]o2)c1F ZINC001169492060 811550684 /nfs/dbraw/zinc/55/06/84/811550684.db2.gz IYYHVNDOZZFXKL-UHFFFAOYSA-N -1 0 267.216 2.348 20 5 CEBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])oc1C ZINC001147966429 814514415 /nfs/dbraw/zinc/51/44/15/814514415.db2.gz DQYPLQPNXXUHKC-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM Cc1cncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176672197 816452931 /nfs/dbraw/zinc/45/29/31/816452931.db2.gz INSHLZXJEDINEE-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c(C)c1 ZINC000038021144 361985466 /nfs/dbraw/zinc/98/54/66/361985466.db2.gz VAMZPDCFUJYYRX-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000567964467 299101814 /nfs/dbraw/zinc/10/18/14/299101814.db2.gz PCJDJVSXBAAFTC-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2=CCCCC2)n1 ZINC000567976129 299103529 /nfs/dbraw/zinc/10/35/29/299103529.db2.gz HSYBBCFLFYPSKY-UHFFFAOYSA-N -1 0 291.307 2.331 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnc2ccccn21 ZINC000092546220 344194445 /nfs/dbraw/zinc/19/44/45/344194445.db2.gz CKNMALRRJRAVOR-UHFFFAOYSA-N -1 0 298.258 2.200 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCC1 ZINC000152510733 344425522 /nfs/dbraw/zinc/42/55/22/344425522.db2.gz WQURWUXAHMJUNS-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM COc1cccc(N2CCC[C@](C)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000134885578 344378567 /nfs/dbraw/zinc/37/85/67/344378567.db2.gz KKRCHTLHEMGJOD-AWEZNQCLSA-N -1 0 294.307 2.295 20 5 CEBDRM O=C([O-])c1cnc(NCCCC2CC2)c([N+](=O)[O-])c1 ZINC000161404420 344464069 /nfs/dbraw/zinc/46/40/69/344464069.db2.gz PIFYWMGTPWKZAI-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM CN(CC1(O)CCCC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000161708057 344465251 /nfs/dbraw/zinc/46/52/51/344465251.db2.gz LEHBRRYDALCFQU-UHFFFAOYSA-N -1 0 294.307 2.034 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000328390001 344755203 /nfs/dbraw/zinc/75/52/03/344755203.db2.gz JTPUXCQGVSUMKU-RQJHMYQMSA-N -1 0 285.687 2.308 20 5 CEBDRM O=C(N[C@@H]1CCCC1(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000588789405 345055714 /nfs/dbraw/zinc/05/57/14/345055714.db2.gz XMPVVTLUGRUKOJ-SNVBAGLBSA-N -1 0 286.234 2.218 20 5 CEBDRM CC1(C2(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)CC1 ZINC000590884438 345194476 /nfs/dbraw/zinc/19/44/76/345194476.db2.gz SSSKOLRECSARAT-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000592418875 345351017 /nfs/dbraw/zinc/35/10/17/345351017.db2.gz BTSDVHCTTAKJRQ-UHFFFAOYSA-N -1 0 293.323 2.298 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1C(=O)[O-] ZINC000592980686 345418588 /nfs/dbraw/zinc/41/85/88/345418588.db2.gz WGQVRJUYKUDYGN-JGVFFNPUSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593320691 345466576 /nfs/dbraw/zinc/46/65/76/345466576.db2.gz DDEIPUXMXNJLOB-VIFPVBQESA-N -1 0 287.275 2.054 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000593836100 345544715 /nfs/dbraw/zinc/54/47/15/345544715.db2.gz RKILRCHPNSLEOG-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000593887950 345548726 /nfs/dbraw/zinc/54/87/26/345548726.db2.gz ZUTHAKPSUMJQIE-GFCCVEGCSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593887951 345548780 /nfs/dbraw/zinc/54/87/80/345548780.db2.gz ZUTHAKPSUMJQIE-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM C[C@@H]1CCC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000594737225 345681653 /nfs/dbraw/zinc/68/16/53/345681653.db2.gz ZMNXMQLWGPQVII-RKDXNWHRSA-N -1 0 295.295 2.058 20 5 CEBDRM CN(CC1=CCCOC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000594736030 345681779 /nfs/dbraw/zinc/68/17/79/345681779.db2.gz NUAOONADJDEZAS-UHFFFAOYSA-N -1 0 292.291 2.076 20 5 CEBDRM O=C([O-])c1cc(N2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000595277890 345753420 /nfs/dbraw/zinc/75/34/20/345753420.db2.gz QEAJJHUQQMQIOA-RKDXNWHRSA-N -1 0 262.265 2.139 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000595970253 345919125 /nfs/dbraw/zinc/91/91/25/345919125.db2.gz VEDPHOWXBIGCQV-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM O=C([O-])[C@H](CNc1ncc([N+](=O)[O-])cc1F)C1CCC1 ZINC000595977616 345920015 /nfs/dbraw/zinc/92/00/15/345920015.db2.gz LZKWXNJHQKGILO-SECBINFHSA-N -1 0 283.259 2.042 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000596027445 345924840 /nfs/dbraw/zinc/92/48/40/345924840.db2.gz XZENILQRYUMTFG-QMMMGPOBSA-N -1 0 279.296 2.170 20 5 CEBDRM CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000597491249 346193255 /nfs/dbraw/zinc/19/32/55/346193255.db2.gz HJEHIAZTCACGDA-BXKDBHETSA-N -1 0 294.307 2.443 20 5 CEBDRM CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000597758145 346227030 /nfs/dbraw/zinc/22/70/30/346227030.db2.gz QYEWEMJKBAZINM-UHFFFAOYSA-N -1 0 292.213 2.371 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000597830467 346237266 /nfs/dbraw/zinc/23/72/66/346237266.db2.gz WHANDJBMWWSFGC-CABZTGNLSA-N -1 0 276.292 2.315 20 5 CEBDRM CC(C)(F)CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000598199673 346303942 /nfs/dbraw/zinc/30/39/42/346303942.db2.gz SDOOZERDVLHURR-UHFFFAOYSA-N -1 0 270.260 2.168 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000598564886 346375084 /nfs/dbraw/zinc/37/50/84/346375084.db2.gz LXJUFSMEZACFPH-JTQLQIEISA-N -1 0 278.308 2.419 20 5 CEBDRM CCO[C@@]1(C)C[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000600677792 346671817 /nfs/dbraw/zinc/67/18/17/346671817.db2.gz BCPAFWJQOKODNK-OCCSQVGLSA-N -1 0 294.307 2.201 20 5 CEBDRM CCC(F)(F)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000600380090 346637184 /nfs/dbraw/zinc/63/71/84/346637184.db2.gz OUQQDDLQBOYTAU-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM CC(C)(F)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000600943057 346713546 /nfs/dbraw/zinc/71/35/46/346713546.db2.gz QJLIDPJUZTWNQO-UHFFFAOYSA-N -1 0 256.233 2.453 20 5 CEBDRM CC(C)Cn1[n-]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000603807816 347387782 /nfs/dbraw/zinc/38/77/82/347387782.db2.gz WAKIHBVOLWBNLH-UHFFFAOYSA-N -1 0 261.281 2.187 20 5 CEBDRM C[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000611555403 347793754 /nfs/dbraw/zinc/79/37/54/347793754.db2.gz XRLLJHHMJIIXCW-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613873700 348117573 /nfs/dbraw/zinc/11/75/73/348117573.db2.gz HZNPIOHJONHGCT-QMMMGPOBSA-N -1 0 252.270 2.219 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccn(C(F)F)n1 ZINC000614271658 348171769 /nfs/dbraw/zinc/17/17/69/348171769.db2.gz AGPLTRSNCKIZDW-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM Cc1cnc(N[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000090691691 180024762 /nfs/dbraw/zinc/02/47/62/180024762.db2.gz RHOUMTHVYIIZAP-VIFPVBQESA-N -1 0 267.285 2.209 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NCCC[C@@H]2CCCC[C@H]2O)s1 ZINC000337009792 365982581 /nfs/dbraw/zinc/98/25/81/365982581.db2.gz FFSQJFOFXOLKEW-VHSXEESVSA-N -1 0 285.369 2.216 20 5 CEBDRM Cc1nc(NC[C@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000123531894 187096721 /nfs/dbraw/zinc/09/67/21/187096721.db2.gz CRPHPEVRLUHKMY-JTQLQIEISA-N -1 0 281.312 2.457 20 5 CEBDRM CC[C@@H](C)CO[N-]C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000292053235 198146942 /nfs/dbraw/zinc/14/69/42/198146942.db2.gz FYLXAKKAZSTFNM-SNVBAGLBSA-N -1 0 282.296 2.068 20 5 CEBDRM C[C@@H](CO)CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000569461166 299204458 /nfs/dbraw/zinc/20/44/58/299204458.db2.gz UCQVSMHBYYLVPM-SNVBAGLBSA-N -1 0 296.323 2.042 20 5 CEBDRM CCCCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073906291 363268000 /nfs/dbraw/zinc/26/80/00/363268000.db2.gz NWDDPEGFAPQSPD-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM O=C([O-])C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261585659 304042017 /nfs/dbraw/zinc/04/20/17/304042017.db2.gz IMRFKUYKJBMRHK-UHFFFAOYSA-N -1 0 268.244 2.035 20 5 CEBDRM CC[C@@H](C)[C@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OC ZINC000295725609 199637226 /nfs/dbraw/zinc/63/72/26/199637226.db2.gz LZOQTTYWLCDDAY-RNCFNFMXSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000570094054 299237555 /nfs/dbraw/zinc/23/75/55/299237555.db2.gz YTVSUZMYDIAAPY-QMTHXVAHSA-N -1 0 292.335 2.446 20 5 CEBDRM COC(C)(C)CN(C)c1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000571213499 299299191 /nfs/dbraw/zinc/29/91/91/299299191.db2.gz FXCFBGAQNGETLC-UHFFFAOYSA-N -1 0 296.323 2.463 20 5 CEBDRM Cc1cc(N(C)CC2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571287503 299302597 /nfs/dbraw/zinc/30/25/97/299302597.db2.gz DRHITSWZSMFHRK-UHFFFAOYSA-N -1 0 264.281 2.448 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)c1ccccc1 ZINC000339080495 366643596 /nfs/dbraw/zinc/64/35/96/366643596.db2.gz DJYDHYPNYRRTJA-CQSZACIVSA-N -1 0 288.303 2.124 20 5 CEBDRM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])nc1 ZINC000019868412 361563372 /nfs/dbraw/zinc/56/33/72/361563372.db2.gz MOJXXQKPAJCOLD-UHFFFAOYSA-N -1 0 253.258 2.047 20 5 CEBDRM O=C(NCCc1ccsc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000342434174 216349896 /nfs/dbraw/zinc/34/98/96/216349896.db2.gz TVGHQFHWSSFLAH-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM CCCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000089531810 363978006 /nfs/dbraw/zinc/97/80/06/363978006.db2.gz DGAYPGYZAZSRJL-UHFFFAOYSA-N -1 0 290.279 2.228 20 5 CEBDRM CSC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531165 363978075 /nfs/dbraw/zinc/97/80/75/363978075.db2.gz CBMUZLHNYSVRMO-SSDOTTSWSA-N -1 0 270.310 2.238 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C(=O)[O-])o1 ZINC000094555004 364276974 /nfs/dbraw/zinc/27/69/74/364276974.db2.gz RRWVSQKKVAMFDW-UHFFFAOYSA-N -1 0 294.267 2.023 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)[O-])CC2)c1 ZINC000094658975 364287805 /nfs/dbraw/zinc/28/78/05/364287805.db2.gz QGQUQDKMPPXOSG-UHFFFAOYSA-N -1 0 264.281 2.204 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2CC(=O)[O-])c1 ZINC000094659037 364287836 /nfs/dbraw/zinc/28/78/36/364287836.db2.gz KESHFODOZXPMLF-JTQLQIEISA-N -1 0 264.281 2.347 20 5 CEBDRM Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000581943925 366838410 /nfs/dbraw/zinc/83/84/10/366838410.db2.gz HPGMMGZVVNOAJD-NSHDSACASA-N -1 0 280.280 2.199 20 5 CEBDRM CN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000111649217 364750878 /nfs/dbraw/zinc/75/08/78/364750878.db2.gz FIHKPDOARXGNAU-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)[C@@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000160236639 366986080 /nfs/dbraw/zinc/98/60/80/366986080.db2.gz PWEORYQSBBMEPK-SECBINFHSA-N -1 0 279.296 2.170 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163989492 367273459 /nfs/dbraw/zinc/27/34/59/367273459.db2.gz YVACWTGQDUGLIC-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM CCN1CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166089232 367318251 /nfs/dbraw/zinc/31/82/51/367318251.db2.gz JVTDLSPJIVMLDL-NSHDSACASA-N -1 0 293.323 2.113 20 5 CEBDRM CSCCN(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000166346435 367321444 /nfs/dbraw/zinc/32/14/44/367321444.db2.gz RKAMZMPIUNLMDQ-UHFFFAOYSA-N -1 0 270.310 2.092 20 5 CEBDRM O=C(C[C@H]1CCCC[C@H]1O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343817890 368022028 /nfs/dbraw/zinc/02/20/28/368022028.db2.gz YTSPSTZYYKSVSG-BXKDBHETSA-N -1 0 294.307 2.180 20 5 CEBDRM O=C(Nc1cccc(CO)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000345647725 368358105 /nfs/dbraw/zinc/35/81/05/368358105.db2.gz YPSGZTHWZSNOJK-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000181908800 368504974 /nfs/dbraw/zinc/50/49/74/368504974.db2.gz YIINFLREWIJHFY-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232619805 370507927 /nfs/dbraw/zinc/50/79/27/370507927.db2.gz RRLMTZNYQRJERE-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cccc(N(C)CCCC(=O)[O-])c1[N+](=O)[O-] ZINC000234292807 370532771 /nfs/dbraw/zinc/53/27/71/370532771.db2.gz FQKRFNSDPQHUHD-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM O=C([O-])CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000236426345 370588143 /nfs/dbraw/zinc/58/81/43/370588143.db2.gz OWDYZXNSACZQEE-UHFFFAOYSA-N -1 0 260.196 2.150 20 5 CEBDRM CC(C)[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000232736172 189817718 /nfs/dbraw/zinc/81/77/18/189817718.db2.gz OACGFXYLZJKJMD-VIFPVBQESA-N -1 0 274.223 2.394 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000270902853 373008083 /nfs/dbraw/zinc/00/80/83/373008083.db2.gz SPRUWONITPJUFO-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM C[C@@H](N(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1(C)CC1 ZINC000385165049 375229434 /nfs/dbraw/zinc/22/94/34/375229434.db2.gz CSCMNCPRKWBPCK-MRVPVSSYSA-N -1 0 279.296 2.313 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280686482 375284499 /nfs/dbraw/zinc/28/44/99/375284499.db2.gz DDFBSRLQLCMWNV-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM C[C@H]1C[C@H](C)CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408377301 375465533 /nfs/dbraw/zinc/46/55/33/375465533.db2.gz ZVXYCBJWHCLDDD-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C([O-])[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000062133021 304192506 /nfs/dbraw/zinc/19/25/06/304192506.db2.gz JRTGBRIRZUQAIO-JTQLQIEISA-N -1 0 287.275 2.054 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000416319519 376037725 /nfs/dbraw/zinc/03/77/25/376037725.db2.gz HXRIZXAPPMIALE-KXUCPTDWSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@@H](C[C@@H]1CCCO1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563208028 377126511 /nfs/dbraw/zinc/12/65/11/377126511.db2.gz UGQXEUBNVRZENJ-IUCAKERBSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1CSCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330413015 377120478 /nfs/dbraw/zinc/12/04/78/377120478.db2.gz BMQIZPMUCGWWJQ-VIFPVBQESA-N -1 0 268.338 2.238 20 5 CEBDRM CC[C@@H]1CO[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330417254 377123454 /nfs/dbraw/zinc/12/34/54/377123454.db2.gz DPUOXBGNJHPXTA-ZYHUDNBSSA-N -1 0 280.324 2.300 20 5 CEBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)NOCC2CC2)c1 ZINC000293739148 377732114 /nfs/dbraw/zinc/73/21/14/377732114.db2.gz IQOIFXLLWXZAMY-UHFFFAOYSA-N -1 0 280.280 2.065 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293775431 377750722 /nfs/dbraw/zinc/75/07/22/377750722.db2.gz RDYIPOAODYLYBH-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM C[C@H]1CC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000566290380 377752684 /nfs/dbraw/zinc/75/26/84/377752684.db2.gz GYQHKHGHBZHRMU-YUMQZZPRSA-N -1 0 295.295 2.056 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000293821812 377773496 /nfs/dbraw/zinc/77/34/96/377773496.db2.gz VCYIIWOFIXVELH-MRVPVSSYSA-N -1 0 268.269 2.008 20 5 CEBDRM Cc1ccc([N-]S(=O)(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000437660344 377857941 /nfs/dbraw/zinc/85/79/41/377857941.db2.gz SGUWYOMDIZCJFD-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM CC[C@H](C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OC ZINC000295725613 378279401 /nfs/dbraw/zinc/27/94/01/378279401.db2.gz LZOQTTYWLCDDAY-TVQRCGJNSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000450539124 378466078 /nfs/dbraw/zinc/46/60/78/378466078.db2.gz JATPIYXRPWZHFN-RNFRBKRXSA-N -1 0 290.197 2.437 20 5 CEBDRM Cc1nc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)co1 ZINC000347269502 218175502 /nfs/dbraw/zinc/17/55/02/218175502.db2.gz SEOZCFCJOQELLX-UHFFFAOYSA-N -1 0 288.219 2.314 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[C@H](F)C2)n1 ZINC000517378911 379359574 /nfs/dbraw/zinc/35/95/74/379359574.db2.gz YPQDDMJCYFXSTJ-YUMQZZPRSA-N -1 0 283.259 2.299 20 5 CEBDRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458138363 380020626 /nfs/dbraw/zinc/02/06/26/380020626.db2.gz QZAFJAKIEVDWIS-SMDDNHRTSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C([O-])CC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000094291343 184776635 /nfs/dbraw/zinc/77/66/35/184776635.db2.gz ZNJUJPKGLAQWEP-UHFFFAOYSA-N -1 0 250.254 2.404 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237486617 131035505 /nfs/dbraw/zinc/03/55/05/131035505.db2.gz CDCPZXZAPUESJU-VIFPVBQESA-N -1 0 292.291 2.308 20 5 CEBDRM C[C@H]1C[C@@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355564015 394464649 /nfs/dbraw/zinc/46/46/49/394464649.db2.gz IRWSOZMRFSPYKK-JGVFFNPUSA-N -1 0 250.254 2.285 20 5 CEBDRM CC(C)c1ccc(C(=O)N[C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000263123427 394627551 /nfs/dbraw/zinc/62/75/51/394627551.db2.gz KVWDQBVTDSXEOX-SECBINFHSA-N -1 0 294.307 2.311 20 5 CEBDRM CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC(C)C ZINC000416258618 395040066 /nfs/dbraw/zinc/04/00/66/395040066.db2.gz FVOODTKYOHWAFH-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM CO[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000416265172 395041939 /nfs/dbraw/zinc/04/19/39/395041939.db2.gz WUAFPWRVQNCIFA-NSHDSACASA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436722817 395147867 /nfs/dbraw/zinc/14/78/67/395147867.db2.gz JSGVOHZUFODMCY-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM CC1(C)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436793780 395153466 /nfs/dbraw/zinc/15/34/66/395153466.db2.gz SQFLKJUZWUYPCI-LLVKDONJSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](F)C2)c1 ZINC000565837073 395486821 /nfs/dbraw/zinc/48/68/21/395486821.db2.gz XKBQRCBXMUHDTC-VIFPVBQESA-N -1 0 268.244 2.231 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226259900 153331359 /nfs/dbraw/zinc/33/13/59/153331359.db2.gz FQXXSZMCLUXIFG-VIFPVBQESA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000262185624 153923736 /nfs/dbraw/zinc/92/37/36/153923736.db2.gz XLTOZMXMCMIJPJ-ZCFIWIBFSA-N -1 0 290.222 2.106 20 5 CEBDRM CC(C)C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000263534182 154117541 /nfs/dbraw/zinc/11/75/41/154117541.db2.gz YHFBWRKAHAEHEB-SECBINFHSA-N -1 0 271.248 2.040 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC2(CC2)CC1 ZINC000374802500 157015819 /nfs/dbraw/zinc/01/58/19/157015819.db2.gz WCEBJHKRHCWHMZ-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC[C@@H]1OCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000277449320 287340431 /nfs/dbraw/zinc/34/04/31/287340431.db2.gz XIAZNTDPEXVPCL-MFKMUULPSA-N -1 0 294.307 2.444 20 5 CEBDRM CC(F)(F)CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000390296030 262174414 /nfs/dbraw/zinc/17/44/14/262174414.db2.gz FPQJUPVEKVCINK-UHFFFAOYSA-N -1 0 288.250 2.466 20 5 CEBDRM COc1ccc(NC(=O)c2snnc2C)c([N+](=O)[O-])c1 ZINC000194741851 270303444 /nfs/dbraw/zinc/30/34/44/270303444.db2.gz OEZLCLSNQFEAFZ-UHFFFAOYSA-N -1 0 294.292 2.016 20 5 CEBDRM CC[C@H](C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225798978 270309134 /nfs/dbraw/zinc/30/91/34/270309134.db2.gz GWMOILDSEKDKSY-IUCAKERBSA-N -1 0 266.297 2.465 20 5 CEBDRM CCCc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000130489446 279936909 /nfs/dbraw/zinc/93/69/09/279936909.db2.gz LKAIQYZDCIFPMN-UHFFFAOYSA-N -1 0 290.279 2.228 20 5 CEBDRM CC1(C)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCS1 ZINC000164900797 281221339 /nfs/dbraw/zinc/22/13/39/281221339.db2.gz DYYDKGFINYINJT-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000456300567 289583220 /nfs/dbraw/zinc/58/32/20/289583220.db2.gz PLDBBYJLOFWUSC-GWCFXTLKSA-N -1 0 278.308 2.322 20 5 CEBDRM CCC(C)(C)OCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000457668235 289808256 /nfs/dbraw/zinc/80/82/56/289808256.db2.gz LUKDTRVKPYSYKU-UHFFFAOYSA-N -1 0 282.296 2.444 20 5 CEBDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000263239966 297216988 /nfs/dbraw/zinc/21/69/88/297216988.db2.gz RNLOAZBEIMRRHB-HTQZYQBOSA-N -1 0 299.714 2.190 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000159421413 304554110 /nfs/dbraw/zinc/55/41/10/304554110.db2.gz VCJCWAFECUELDH-UWVGGRQHSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC12CCC2 ZINC000373118550 304551799 /nfs/dbraw/zinc/55/17/99/304551799.db2.gz SONYBFWRORHSGB-UHFFFAOYSA-N -1 0 276.292 2.459 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000566563378 299003448 /nfs/dbraw/zinc/00/34/48/299003448.db2.gz GJFTZIMLSUYZKK-AOOOYVTPSA-N -1 0 291.307 2.233 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]3C2)n1 ZINC000566563380 299003702 /nfs/dbraw/zinc/00/37/02/299003702.db2.gz GJFTZIMLSUYZKK-UWVGGRQHSA-N -1 0 291.307 2.233 20 5 CEBDRM C[C@H]1C[C@H](C(=O)[O-])CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000263239969 300474711 /nfs/dbraw/zinc/47/47/11/300474711.db2.gz RNLOAZBEIMRRHB-YUMQZZPRSA-N -1 0 299.714 2.190 20 5 CEBDRM Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])ccn1 ZINC000160557682 301362111 /nfs/dbraw/zinc/36/21/11/301362111.db2.gz QFAIGCCGPBTZFE-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000164796232 312661267 /nfs/dbraw/zinc/66/12/67/312661267.db2.gz GZFSZWGUMJOHGB-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])OC ZINC000563204399 313722059 /nfs/dbraw/zinc/72/20/59/313722059.db2.gz KVJRGASHZFENIG-VIFPVBQESA-N -1 0 282.296 2.438 20 5 CEBDRM C[C@]1(F)CCCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000563213250 313723888 /nfs/dbraw/zinc/72/38/88/313723888.db2.gz BOBVXXUGGJJFKQ-LBPRGKRZSA-N -1 0 283.259 2.016 20 5 CEBDRM O=C([O-])c1ccnc(NCCC2(F)CCC2)c1[N+](=O)[O-] ZINC000563213151 313724045 /nfs/dbraw/zinc/72/40/45/313724045.db2.gz RJLAIJPSWDIXII-UHFFFAOYSA-N -1 0 283.259 2.382 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCSC[C@@H](C(=O)[O-])C2)c1 ZINC000565040377 313792620 /nfs/dbraw/zinc/79/26/20/313792620.db2.gz AEWBJISPUOCXSY-JTQLQIEISA-N -1 0 296.348 2.157 20 5 CEBDRM C[C@@H]1C[C@H]1c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000571735157 314103630 /nfs/dbraw/zinc/10/36/30/314103630.db2.gz NMSRFBJCZJCHCO-LHLIQPBNSA-N -1 0 261.237 2.474 20 5 CEBDRM C[C@H](C[C@H]1CCCO1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576520970 314283881 /nfs/dbraw/zinc/28/38/81/314283881.db2.gz QFZLKYLYETZIOM-PSASIEDQSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(N2CCO[C@@H](C)[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578239911 314460812 /nfs/dbraw/zinc/46/08/12/314460812.db2.gz YRYLNSDAMYKGDS-ZJUUUORDSA-N -1 0 294.307 2.215 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000579012003 314540528 /nfs/dbraw/zinc/54/05/28/314540528.db2.gz XMHNZSJCJXKXBR-BDAKNGLRSA-N -1 0 282.271 2.311 20 5 CEBDRM C[C@H](CCCO)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000384508529 321853058 /nfs/dbraw/zinc/85/30/58/321853058.db2.gz SCONBGURSOKUQZ-SECBINFHSA-N -1 0 282.296 2.114 20 5 CEBDRM CC(C)[C@@H](C)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000389217071 321889598 /nfs/dbraw/zinc/88/95/98/321889598.db2.gz VLZHLVHGQMKTJX-QMMMGPOBSA-N -1 0 267.285 2.392 20 5 CEBDRM Cc1cc(N[C@@H]2CO[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583146437 322527632 /nfs/dbraw/zinc/52/76/32/322527632.db2.gz ZHBVCTPVGCEHEP-IUCAKERBSA-N -1 0 280.280 2.191 20 5 CEBDRM CC(=O)c1cc(N2CCC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000583874651 322574279 /nfs/dbraw/zinc/57/42/79/322574279.db2.gz CGSGFBLWMUDERI-JTQLQIEISA-N -1 0 292.291 2.241 20 5 CEBDRM C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000558581092 327107334 /nfs/dbraw/zinc/10/73/34/327107334.db2.gz XZGTVACDQLMEAN-QMMMGPOBSA-N -1 0 293.279 2.167 20 5 CEBDRM CC[C@@H](C)CN(C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000394012146 329094393 /nfs/dbraw/zinc/09/43/93/329094393.db2.gz ACWZASJCZKXBAV-MRVPVSSYSA-N -1 0 267.285 2.170 20 5 CEBDRM Cc1cccc(CCCOC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000732503576 574622518 /nfs/dbraw/zinc/62/25/18/574622518.db2.gz KUAFBFNPONSZPA-UHFFFAOYSA-N -1 0 289.291 2.416 20 5 CEBDRM CCc1ccc(OC(=O)CCCNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000737267176 574825481 /nfs/dbraw/zinc/82/54/81/574825481.db2.gz DTLGTQOGYIMJGB-UHFFFAOYSA-N -1 0 296.279 2.110 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000737939693 574848049 /nfs/dbraw/zinc/84/80/49/574848049.db2.gz VTPIQFBFUBNTJK-UHFFFAOYSA-N -1 0 297.286 2.313 20 5 CEBDRM CN(C(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000739585742 574927913 /nfs/dbraw/zinc/92/79/13/574927913.db2.gz DJPROVHUMJKCRM-LBPRGKRZSA-N -1 0 279.296 2.173 20 5 CEBDRM O=C([O-])CCSc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000739753462 574932842 /nfs/dbraw/zinc/93/28/42/574932842.db2.gz KHHPZQZOBXEVIQ-UHFFFAOYSA-N -1 0 296.304 2.046 20 5 CEBDRM O=C([O-])NC1(CNc2ncccc2[N+](=O)[O-])CCCCC1 ZINC000740547370 574958709 /nfs/dbraw/zinc/95/87/09/574958709.db2.gz GEUBSWQTYNRBRK-UHFFFAOYSA-N -1 0 294.311 2.372 20 5 CEBDRM O=C([O-])NC1(CNc2cccnc2[N+](=O)[O-])CCCCC1 ZINC000740548114 574958751 /nfs/dbraw/zinc/95/87/51/574958751.db2.gz LZEBIDPQNIRNJM-UHFFFAOYSA-N -1 0 294.311 2.372 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(F)(F)F ZINC000744336193 575119007 /nfs/dbraw/zinc/11/90/07/575119007.db2.gz MXCAOHQEOGPZGL-SCSAIBSYSA-N -1 0 252.148 2.031 20 5 CEBDRM O=C([O-])CCSc1ncc([N+](=O)[O-])cc1Cl ZINC000236418488 600205179 /nfs/dbraw/zinc/20/51/79/600205179.db2.gz BLMFMUVWFFDKMT-UHFFFAOYSA-N -1 0 262.674 2.210 20 5 CEBDRM O=C([O-])c1ccc(OCCc2cccnc2)c([N+](=O)[O-])c1 ZINC000063222764 600377041 /nfs/dbraw/zinc/37/70/41/600377041.db2.gz UVDGSVVNUAYFBZ-UHFFFAOYSA-N -1 0 288.259 2.310 20 5 CEBDRM O=C([O-])c1cc(NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000833299690 601286773 /nfs/dbraw/zinc/28/67/73/601286773.db2.gz FYKWJAGLXXXMGH-GDNZZTSVSA-N -1 0 290.275 2.278 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000251927912 601562741 /nfs/dbraw/zinc/56/27/41/601562741.db2.gz YLTCPVLWRLEVQT-IONNQARKSA-N -1 0 284.699 2.405 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C(=O)[O-] ZINC000832958483 601750414 /nfs/dbraw/zinc/75/04/14/601750414.db2.gz HMWNZQSKBRRNPM-UHFFFAOYSA-N -1 0 295.295 2.136 20 5 CEBDRM C[C@H](CC(=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000827392294 602104335 /nfs/dbraw/zinc/10/43/35/602104335.db2.gz XBTBVQYYSZKDDR-SSDOTTSWSA-N -1 0 277.236 2.223 20 5 CEBDRM O=C([O-])c1csc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000833342496 602183772 /nfs/dbraw/zinc/18/37/72/602183772.db2.gz AIUOMJDTJXRTGR-UHFFFAOYSA-N -1 0 282.233 2.200 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740176155 603405352 /nfs/dbraw/zinc/40/53/52/603405352.db2.gz WZRTVBUUCIEBIY-WDEREUQCSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1ccc(N2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830340144 603443430 /nfs/dbraw/zinc/44/34/30/603443430.db2.gz KBUXFCNCWSQUIF-NSHDSACASA-N -1 0 293.323 2.339 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCN(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000830122830 603890247 /nfs/dbraw/zinc/89/02/47/603890247.db2.gz PQCSZLGTADAVFP-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1cc(N[C@H]2CCC[C@H]2CNC(=O)[O-])ncc1[N+](=O)[O-] ZINC000830117482 603893002 /nfs/dbraw/zinc/89/30/02/603893002.db2.gz ZDARFEURXSURAT-UWVGGRQHSA-N -1 0 294.311 2.146 20 5 CEBDRM Cc1ccc([C@@H](C)OC(=O)[C@H](C)NC(=O)[O-])cc1[N+](=O)[O-] ZINC000830257134 603965279 /nfs/dbraw/zinc/96/52/79/603965279.db2.gz RWYPGGYBJPCKBP-DTWKUNHWSA-N -1 0 296.279 2.164 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000825279941 604055074 /nfs/dbraw/zinc/05/50/74/604055074.db2.gz DIAZHEBJNFIKCZ-QWRGUYRKSA-N -1 0 293.323 2.467 20 5 CEBDRM CC(C)[C@@H](CCN(C)c1ccc([N+](=O)[O-])cn1)NC(=O)[O-] ZINC000824104790 604224253 /nfs/dbraw/zinc/22/42/53/604224253.db2.gz HUAGTFZZJAQLRC-LLVKDONJSA-N -1 0 296.327 2.108 20 5 CEBDRM C[C@@]1(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000833569930 604562099 /nfs/dbraw/zinc/56/20/99/604562099.db2.gz ARRFHHQVFJCGOS-PKXJPQMGSA-N -1 0 292.291 2.284 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cc(C)ccc2[N+](=O)[O-])O1 ZINC000833576789 604887186 /nfs/dbraw/zinc/88/71/86/604887186.db2.gz DNVKURUAWNCCJY-SNVBAGLBSA-N -1 0 293.275 2.430 20 5 CEBDRM C/C(=C/COC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000833386160 604936444 /nfs/dbraw/zinc/93/64/44/604936444.db2.gz VSZIIEAMBFPWPQ-TWGQIWQCSA-N -1 0 293.275 2.020 20 5 CEBDRM O=C([O-])C[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042161412 605012197 /nfs/dbraw/zinc/01/21/97/605012197.db2.gz WDSFNNRTPAPFGR-JTQLQIEISA-N -1 0 293.279 2.066 20 5 CEBDRM CCc1ccc(C(=O)O[C@H](CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833670486 605016873 /nfs/dbraw/zinc/01/68/73/605016873.db2.gz MPPIAVRYJQVQMK-LLVKDONJSA-N -1 0 281.264 2.177 20 5 CEBDRM CC[C@H](NC(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000827551443 605120140 /nfs/dbraw/zinc/12/01/40/605120140.db2.gz PKYQIFYJZHWJTH-VIFPVBQESA-N -1 0 292.251 2.364 20 5 CEBDRM CC[C@H](NC(=O)[O-])C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000827538422 605233271 /nfs/dbraw/zinc/23/32/71/605233271.db2.gz FOUVENJJSAVLHT-KCJUWKMLSA-N -1 0 296.279 2.245 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[O-])CC1 ZINC000833907704 605551128 /nfs/dbraw/zinc/55/11/28/605551128.db2.gz QXFOYZKMRQONMI-LLVKDONJSA-N -1 0 293.323 2.260 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCCN1c1ccccc1[N+](=O)[O-] ZINC000834219672 605646216 /nfs/dbraw/zinc/64/62/16/605646216.db2.gz KZPSTZDVYKLLSI-JTQLQIEISA-N -1 0 279.296 2.221 20 5 CEBDRM CCOc1cc(NCC2CN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000833862289 605732088 /nfs/dbraw/zinc/73/20/88/605732088.db2.gz UOUINJYZEJWDRU-UHFFFAOYSA-N -1 0 295.295 2.015 20 5 CEBDRM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000833828499 606038710 /nfs/dbraw/zinc/03/87/10/606038710.db2.gz OMLFIBKVRXLOSX-BDAKNGLRSA-N -1 0 299.352 2.229 20 5 CEBDRM O=C(OCC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000784955819 627965914 /nfs/dbraw/zinc/96/59/14/627965914.db2.gz NFJYMCMRZQXNPM-SECBINFHSA-N -1 0 268.269 2.039 20 5 CEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]OC1CCC1 ZINC000812794985 632582971 /nfs/dbraw/zinc/58/29/71/632582971.db2.gz SOWBCENRLGQVCN-UHFFFAOYSA-N -1 0 289.291 2.150 20 5 CEBDRM CSCCO[N-]C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000816547329 633410492 /nfs/dbraw/zinc/41/04/92/633410492.db2.gz SMZYYVHEOASRID-UHFFFAOYSA-N -1 0 298.364 2.283 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSCCO[C@H]1CCOC1 ZINC000901831787 634323942 /nfs/dbraw/zinc/32/39/42/634323942.db2.gz AUBSJUJKKYLKOD-LBPRGKRZSA-N -1 0 299.348 2.339 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)CC2(F)CC2)ccc1[N+](=O)[O-] ZINC000903615830 635181458 /nfs/dbraw/zinc/18/14/58/635181458.db2.gz OPCMICWEJXQUGI-UHFFFAOYSA-N -1 0 288.300 2.147 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000834689631 637920763 /nfs/dbraw/zinc/92/07/63/637920763.db2.gz TUWQQINDRQVFIN-PSASIEDQSA-N -1 0 296.348 2.314 20 5 CEBDRM C[C@@H](OCC1CC1)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837471609 639243381 /nfs/dbraw/zinc/24/33/81/639243381.db2.gz RFQNVBKJKXASIU-SECBINFHSA-N -1 0 295.291 2.159 20 5 CEBDRM O=C(C=C1CCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837573330 639288729 /nfs/dbraw/zinc/28/87/29/639288729.db2.gz DGJHNJKNAHHNIL-UHFFFAOYSA-N -1 0 263.249 2.454 20 5 CEBDRM O=C(Nc1ccc(F)nc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000151469026 639320300 /nfs/dbraw/zinc/32/03/00/639320300.db2.gz KIXMSQJZNZHXNQ-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM CC[C@H](C(=O)[O-])N(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000044618857 639348122 /nfs/dbraw/zinc/34/81/22/639348122.db2.gz IMJNYSKWZWKWOJ-LLVKDONJSA-N -1 0 289.291 2.442 20 5 CEBDRM CCOC1CC(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000837729972 639362010 /nfs/dbraw/zinc/36/20/10/639362010.db2.gz LOHKNHGJEYENRV-UHFFFAOYSA-N -1 0 295.291 2.159 20 5 CEBDRM Cc1cc(N[C@@H](C)C(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841489376 639776556 /nfs/dbraw/zinc/77/65/56/639776556.db2.gz MRVVPUOZPBFGAN-LURJTMIESA-N -1 0 258.661 2.442 20 5 CEBDRM O=C([O-])CCCCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000841505623 639779032 /nfs/dbraw/zinc/77/90/32/639779032.db2.gz FBMYLVWJEXNWCQ-UHFFFAOYSA-N -1 0 283.240 2.170 20 5 CEBDRM CN(CCC(=O)[O-])c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000841505789 639779370 /nfs/dbraw/zinc/77/93/70/639779370.db2.gz FVFPZNDZYTXKGJ-UHFFFAOYSA-N -1 0 290.222 2.107 20 5 CEBDRM O=C(NOC1CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843900098 640553615 /nfs/dbraw/zinc/55/36/15/640553615.db2.gz WCQOYICGJKHJOV-UHFFFAOYSA-N -1 0 286.671 2.168 20 5 CEBDRM C[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207457 640631805 /nfs/dbraw/zinc/63/18/05/640631805.db2.gz JCZQFEAFKQMGTK-SECBINFHSA-N -1 0 264.281 2.068 20 5 CEBDRM CC[C@@](C)(O)CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844209333 640633048 /nfs/dbraw/zinc/63/30/48/640633048.db2.gz QXRXGRCNYKPOHU-BRLPQQTGSA-N -1 0 294.307 2.266 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000844220070 640634648 /nfs/dbraw/zinc/63/46/48/640634648.db2.gz ZYEUWSBVGIEDFB-JOYOIKCWSA-N -1 0 294.307 2.041 20 5 CEBDRM CC(C)O[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848591736 642070695 /nfs/dbraw/zinc/07/06/95/642070695.db2.gz XIOHHQSZZIXQIA-UHFFFAOYSA-N -1 0 290.222 2.023 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N[C@H]2COC3(CCC3)C2)c1 ZINC000849348160 642339233 /nfs/dbraw/zinc/33/92/33/642339233.db2.gz KLCHGLLDRWWUKM-SNVBAGLBSA-N -1 0 292.291 2.417 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NCCOCCF)c([N+](=O)[O-])c1 ZINC000853030466 643627701 /nfs/dbraw/zinc/62/77/01/643627701.db2.gz XEDARJRRCJYETP-DUXPYHPUSA-N -1 0 298.270 2.091 20 5 CEBDRM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000773384477 646731112 /nfs/dbraw/zinc/73/11/12/646731112.db2.gz AVHLNEXPICAWPC-NXEZZACHSA-N -1 0 293.323 2.208 20 5 CEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc[nH]1 ZINC000779674696 647337859 /nfs/dbraw/zinc/33/78/59/647337859.db2.gz KEQCBWPXHQNNIN-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000782853281 647659918 /nfs/dbraw/zinc/65/99/18/647659918.db2.gz UVYLVGLNCLDOFO-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C1N[C@H](c2ccc([N+](=O)[O-])c([O-])c2)Nc2ccccc21 ZINC000133714460 652706534 /nfs/dbraw/zinc/70/65/34/652706534.db2.gz GHSXGUPKOZYSTQ-CYBMUJFWSA-N -1 0 285.259 2.155 20 5 CEBDRM CC[C@H]1CCCC[C@@H]1Oc1nc(=O)[n-]cc1[N+](=O)[O-] ZINC001226331520 805581083 /nfs/dbraw/zinc/58/10/83/805581083.db2.gz LLVXEWHWENZFRB-WPRPVWTQSA-N -1 0 267.285 2.438 20 5 CEBDRM O=C([O-])c1ccc(NC[C@H]2C[C@H](F)C2)cc1[N+](=O)[O-] ZINC001168240891 806433642 /nfs/dbraw/zinc/43/36/42/806433642.db2.gz WTSTUMZURFAADY-ZKCHVHJHSA-N -1 0 268.244 2.453 20 5 CEBDRM Cc1ccc(N[C@@H]2CC=C(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000694983110 803601337 /nfs/dbraw/zinc/60/13/37/803601337.db2.gz BVAZOYNWQSKXFT-SNVBAGLBSA-N -1 0 262.265 2.489 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC000694986580 803602571 /nfs/dbraw/zinc/60/25/71/803602571.db2.gz QFBAXEIWWBCKJU-SNVBAGLBSA-N -1 0 262.265 2.489 20 5 CEBDRM C[C@](CC(=O)[O-])(NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000687073302 804322920 /nfs/dbraw/zinc/32/29/20/804322920.db2.gz NEHROIIYQCAOFM-GFCCVEGCSA-N -1 0 298.320 2.030 20 5 CEBDRM CCOC(=O)C1CC(Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225620165 805036865 /nfs/dbraw/zinc/03/68/65/805036865.db2.gz OEWAVZVUZFFPSB-UHFFFAOYSA-N -1 0 281.264 2.021 20 5 CEBDRM O=[N+]([O-])C[C@H](Oc1c(F)c(F)c([O-])c(F)c1F)C1CC1 ZINC001225883517 805363139 /nfs/dbraw/zinc/36/31/39/805363139.db2.gz CFMWCRFOWTUQTD-YFKPBYRVSA-N -1 0 295.188 2.383 20 5 CEBDRM CCOC(=O)c1nnsc1[N-]c1ccccc1[N+](=O)[O-] ZINC001206150091 815252246 /nfs/dbraw/zinc/25/22/46/815252246.db2.gz BCKWLICZAIHPKF-UHFFFAOYSA-N -1 0 294.292 2.367 20 5 CEBDRM COc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)no1 ZINC001174502866 816029413 /nfs/dbraw/zinc/02/94/13/816029413.db2.gz LENGPRAPHRCGQZ-UHFFFAOYSA-N -1 0 279.208 2.033 20 5 CEBDRM Nc1cn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ncccc12 ZINC001176675092 816454188 /nfs/dbraw/zinc/45/41/88/816454188.db2.gz SCGZGJIRXWAFNZ-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM O=C(NCCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000034600973 361792172 /nfs/dbraw/zinc/79/21/72/361792172.db2.gz CXOVSZCTDZUROH-UHFFFAOYSA-N -1 0 286.287 2.273 20 5 CEBDRM C[C@@H](NC(=O)CCCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000037788575 361939763 /nfs/dbraw/zinc/93/97/63/361939763.db2.gz HZGVCLXJZVTFKP-SNVBAGLBSA-N -1 0 294.307 2.417 20 5 CEBDRM O=C(N[C@H]1CCCC12CC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000601706055 346883083 /nfs/dbraw/zinc/88/30/83/346883083.db2.gz RTKNRNZZDLDLDJ-NSHDSACASA-N -1 0 276.292 2.363 20 5 CEBDRM CSC1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000601691753 346879799 /nfs/dbraw/zinc/87/97/99/346879799.db2.gz OOUXGRWAVJBTQG-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM CC1(F)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000601870552 346919562 /nfs/dbraw/zinc/91/95/62/346919562.db2.gz UTCSPMTZBJESEN-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM C[C@@H]1C[C@H]1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567981359 299104799 /nfs/dbraw/zinc/10/47/99/299104799.db2.gz HHPFTRPDKARZQY-SCZZXKLOSA-N -1 0 264.281 2.290 20 5 CEBDRM CCO[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546480 344194455 /nfs/dbraw/zinc/19/44/55/344194455.db2.gz ZTKSQEAKWFUMTH-NSHDSACASA-N -1 0 268.269 2.054 20 5 CEBDRM Cc1cc(NC[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000147524516 344412422 /nfs/dbraw/zinc/41/24/22/344412422.db2.gz BDHCBPYCGSVTKH-QMMMGPOBSA-N -1 0 252.270 2.426 20 5 CEBDRM CCCCOCCCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166857409 344477335 /nfs/dbraw/zinc/47/73/35/344477335.db2.gz VTMWDNFTYBOFQW-UHFFFAOYSA-N -1 0 297.311 2.307 20 5 CEBDRM CC(C)[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166840403 344477404 /nfs/dbraw/zinc/47/74/04/344477404.db2.gz KXSSEBCWZUHQKJ-SECBINFHSA-N -1 0 279.296 2.170 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000227504225 344553383 /nfs/dbraw/zinc/55/33/83/344553383.db2.gz JREUQIWBUVFFME-NXEZZACHSA-N -1 0 264.281 2.203 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235441716 344590992 /nfs/dbraw/zinc/59/09/92/344590992.db2.gz HFLOORICHCHWKK-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM CCC[C@@H]1C[C@H]1Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000233311973 344581086 /nfs/dbraw/zinc/58/10/86/344581086.db2.gz ZAFFJJYZBBCSSI-VXNVDRBHSA-N -1 0 265.269 2.289 20 5 CEBDRM C[C@@H]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000253155483 344643432 /nfs/dbraw/zinc/64/34/32/344643432.db2.gz NUNDPVOTNHEZGT-RKDXNWHRSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(NC[C@@H]1Cc2ccccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000318608175 344750651 /nfs/dbraw/zinc/75/06/51/344750651.db2.gz WNPQCABWDJWVFB-NSHDSACASA-N -1 0 298.298 2.370 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000590913170 345198434 /nfs/dbraw/zinc/19/84/34/345198434.db2.gz VXVMWNYGGHZACE-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM O=C([O-])[C@@H]1CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000592420289 345351070 /nfs/dbraw/zinc/35/10/70/345351070.db2.gz AKOWLEFYZOMJHW-RQJHMYQMSA-N -1 0 256.283 2.322 20 5 CEBDRM Cc1cc(NCCOC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592973966 345417277 /nfs/dbraw/zinc/41/72/77/345417277.db2.gz OMZILTRXKCAQJD-UHFFFAOYSA-N -1 0 282.296 2.438 20 5 CEBDRM CCOC[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000592976718 345417807 /nfs/dbraw/zinc/41/78/07/345417807.db2.gz NLYOCEINCHKRKF-SNVBAGLBSA-N -1 0 294.307 2.156 20 5 CEBDRM CCOC[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000592976655 345417848 /nfs/dbraw/zinc/41/78/48/345417848.db2.gz CBNFRGSWPHGSJI-JTQLQIEISA-N -1 0 294.307 2.156 20 5 CEBDRM C[C@@H]1CC[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592799595 345397965 /nfs/dbraw/zinc/39/79/65/345397965.db2.gz RYSKPVVSKWALFX-HZGVNTEJSA-N -1 0 284.699 2.482 20 5 CEBDRM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC(F)F ZINC000592827283 345401198 /nfs/dbraw/zinc/40/11/98/345401198.db2.gz ZJXHSDWIORMIDX-ZETCQYMHSA-N -1 0 288.250 2.322 20 5 CEBDRM O=C([O-])[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593756249 345533071 /nfs/dbraw/zinc/53/30/71/345533071.db2.gz NRQWOFUFEKUFLF-WDEREUQCSA-N -1 0 296.348 2.199 20 5 CEBDRM C[C@@H]1CCC[C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000594736905 345681907 /nfs/dbraw/zinc/68/19/07/345681907.db2.gz XYCJVTXTKZBGAS-BDAKNGLRSA-N -1 0 295.295 2.058 20 5 CEBDRM CC1(C)C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CO1 ZINC000594737263 345682701 /nfs/dbraw/zinc/68/27/01/345682701.db2.gz VXWVOVJOLVJFRE-SNVBAGLBSA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1(F)F ZINC000598217286 346308070 /nfs/dbraw/zinc/30/80/70/346308070.db2.gz UKBKBRZHRBPYAG-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM Cc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000061834493 362690760 /nfs/dbraw/zinc/69/07/60/362690760.db2.gz KELQWDAOOSMQLD-MRVPVSSYSA-N -1 0 280.280 2.343 20 5 CEBDRM CC[C@@H](Sc1nccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000097824348 185671676 /nfs/dbraw/zinc/67/16/76/185671676.db2.gz WRNMNZUVIGEPBQ-SSDOTTSWSA-N -1 0 256.283 2.254 20 5 CEBDRM C[C@]1(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000600491439 346644376 /nfs/dbraw/zinc/64/43/76/346644376.db2.gz KHPJZZPXVMNYQB-HBYGRHMLSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@@H]1C[C@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2F)o1 ZINC000601064392 346742172 /nfs/dbraw/zinc/74/21/72/346742172.db2.gz NASPMUWLPGNDJM-GMSGAONNSA-N -1 0 292.270 2.274 20 5 CEBDRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]n1Cc1cccnc1 ZINC000603920725 347398300 /nfs/dbraw/zinc/39/83/00/347398300.db2.gz FZGMZTOHDXMGSY-UHFFFAOYSA-N -1 0 296.286 2.126 20 5 CEBDRM Cc1ccoc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000336834185 365901759 /nfs/dbraw/zinc/90/17/59/365901759.db2.gz QQAZNWQTZNMHNH-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM CC(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000611535806 347792094 /nfs/dbraw/zinc/79/20/94/347792094.db2.gz HOLSVRNALAOUIG-UHFFFAOYSA-N -1 0 264.281 2.028 20 5 CEBDRM O=C(NCC(C1CC1)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535428 347792384 /nfs/dbraw/zinc/79/23/84/347792384.db2.gz RVEYVJASSVYQKP-UHFFFAOYSA-N -1 0 290.319 2.466 20 5 CEBDRM CN(CCCC(=O)[O-])c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000568628434 299151380 /nfs/dbraw/zinc/15/13/80/299151380.db2.gz RMUYOUSOOASHCJ-UHFFFAOYSA-N -1 0 293.323 2.170 20 5 CEBDRM COCCC(C)(C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000128952001 187401353 /nfs/dbraw/zinc/40/13/53/187401353.db2.gz WVCZLRDYEKXHRF-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM C[C@H](CC(=O)[O-])Sc1nc2sccn2c1[N+](=O)[O-] ZINC000090098866 179914211 /nfs/dbraw/zinc/91/42/11/179914211.db2.gz CCEYUCRMZBZVLZ-RXMQYKEDSA-N -1 0 287.322 2.259 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000104931018 186032493 /nfs/dbraw/zinc/03/24/93/186032493.db2.gz NFFOLTALZFUXPX-NSHDSACASA-N -1 0 259.265 2.488 20 5 CEBDRM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ncccc1[O-] ZINC000352189064 219353896 /nfs/dbraw/zinc/35/38/96/219353896.db2.gz BOXMHXQVYDXDPB-UHFFFAOYSA-N -1 0 277.211 2.087 20 5 CEBDRM O=C([O-])Cc1ccc(NC[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000569248991 299191508 /nfs/dbraw/zinc/19/15/08/299191508.db2.gz UZJDDRYTXIMGGA-JTQLQIEISA-N -1 0 276.292 2.434 20 5 CEBDRM CO[C@](C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000292144060 198180704 /nfs/dbraw/zinc/18/07/04/198180704.db2.gz MENVIZIDEWSQAC-ZDUSSCGKSA-N -1 0 280.280 2.054 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)F ZINC000452267576 283236321 /nfs/dbraw/zinc/23/63/21/283236321.db2.gz VZHLYTPJANMQKG-ZETCQYMHSA-N -1 0 274.223 2.074 20 5 CEBDRM CCC(CC)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)OC ZINC000294744584 199162478 /nfs/dbraw/zinc/16/24/78/199162478.db2.gz VIXLMYVHDQWAHL-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM CO[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000416265171 236783860 /nfs/dbraw/zinc/78/38/60/236783860.db2.gz WUAFPWRVQNCIFA-LLVKDONJSA-N -1 0 296.323 2.091 20 5 CEBDRM CCC1(O)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339005835 366610275 /nfs/dbraw/zinc/61/02/75/366610275.db2.gz CQJVMFVYTFFGIT-UHFFFAOYSA-N -1 0 280.324 2.037 20 5 CEBDRM CO[C@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)C1CC1 ZINC000571689609 299324238 /nfs/dbraw/zinc/32/42/38/299324238.db2.gz XTHVBTRKKTZPMH-GFCCVEGCSA-N -1 0 294.307 2.438 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N(C)C[C@H](C)C(=O)[O-])c1 ZINC000094659041 364287430 /nfs/dbraw/zinc/28/74/30/364287430.db2.gz HABLOWBIESUCIQ-VIFPVBQESA-N -1 0 252.270 2.060 20 5 CEBDRM CC(C)N(CC(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119264436 365244381 /nfs/dbraw/zinc/24/43/81/365244381.db2.gz OQUQAFWWNODCNW-UHFFFAOYSA-N -1 0 288.250 2.416 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000119819488 365328921 /nfs/dbraw/zinc/32/89/21/365328921.db2.gz SAXXQNPZWAPXPL-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CCCCN(CCOC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160310244 366993563 /nfs/dbraw/zinc/99/35/63/366993563.db2.gz APPKQSZPOYKLDR-UHFFFAOYSA-N -1 0 296.323 2.189 20 5 CEBDRM CC[C@H]1CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166685758 367327262 /nfs/dbraw/zinc/32/72/62/367327262.db2.gz VFUWTCOBHUAEDO-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@@H]1CCSCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000190042911 369591698 /nfs/dbraw/zinc/59/16/98/369591698.db2.gz ZMPOTUSLYPQJLQ-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(Nc1ccc2[nH]cnc2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000352627888 369811687 /nfs/dbraw/zinc/81/16/87/369811687.db2.gz YWTUJHCSZCSBHJ-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235067203 370555576 /nfs/dbraw/zinc/55/55/76/370555576.db2.gz KPIIFDNKJUULAN-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(NCc1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561889 370591851 /nfs/dbraw/zinc/59/18/51/370591851.db2.gz MZWJJXNWKQVHQF-UHFFFAOYSA-N -1 0 272.260 2.230 20 5 CEBDRM CCc1nc(=NCCc2ccccc2[N+](=O)[O-])s[n-]1 ZINC000344050505 217027589 /nfs/dbraw/zinc/02/75/89/217027589.db2.gz QXEKKKMVKXPREG-UHFFFAOYSA-N -1 0 278.337 2.085 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000263239967 371932911 /nfs/dbraw/zinc/93/29/11/371932911.db2.gz RNLOAZBEIMRRHB-JGVFFNPUSA-N -1 0 299.714 2.190 20 5 CEBDRM CC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000269164948 372362197 /nfs/dbraw/zinc/36/21/97/372362197.db2.gz ZWALOFFRVQUNOU-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@H]2CCCC[C@H]21 ZINC000368321552 373232438 /nfs/dbraw/zinc/23/24/38/373232438.db2.gz MLQJBEDYBUIEIK-BXKDBHETSA-N -1 0 276.292 2.315 20 5 CEBDRM CN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272443411 373488724 /nfs/dbraw/zinc/48/87/24/373488724.db2.gz VBHODMFSZANPJI-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCSCC1 ZINC000275092315 374149830 /nfs/dbraw/zinc/14/98/30/374149830.db2.gz IHYFUTYVITTWOZ-UHFFFAOYSA-N -1 0 282.321 2.382 20 5 CEBDRM O=C([O-])c1cnc(NC[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000573805858 299458125 /nfs/dbraw/zinc/45/81/25/299458125.db2.gz SHGNZJCSDXEKAZ-WPRPVWTQSA-N -1 0 277.280 2.146 20 5 CEBDRM CC(C)[C@H]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000383613073 375204285 /nfs/dbraw/zinc/20/42/85/375204285.db2.gz YPELHYXWFCHXLP-VIFPVBQESA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(NC1CCCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280808022 375329407 /nfs/dbraw/zinc/32/94/07/375329407.db2.gz QXMMSHNGUSTKRD-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000281114999 375354611 /nfs/dbraw/zinc/35/46/11/375354611.db2.gz XCLPJEFOMMIKKG-AOOOYVTPSA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1cc(N2CCC[C@@H](C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000313152317 376737048 /nfs/dbraw/zinc/73/70/48/376737048.db2.gz RVTLGYDXBLWWEY-SECBINFHSA-N -1 0 282.271 2.343 20 5 CEBDRM CC[C@@H](C)CONC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000292224958 377232865 /nfs/dbraw/zinc/23/28/65/377232865.db2.gz ZRXGSWUAARIPMG-MRVPVSSYSA-N -1 0 270.260 2.441 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC(C2CCC2)C1 ZINC000436865122 377835231 /nfs/dbraw/zinc/83/52/31/377835231.db2.gz QBCVBOUUUVCNBT-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM CC(C)c1ccc(C(=O)N(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000262842242 131266601 /nfs/dbraw/zinc/26/66/01/131266601.db2.gz ATELBHOSAIGUDS-UHFFFAOYSA-N -1 0 294.307 2.265 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090691738 135064116 /nfs/dbraw/zinc/06/41/16/135064116.db2.gz QTWUGERJRATLPY-CQSZACIVSA-N -1 0 293.323 2.379 20 5 CEBDRM CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000356702588 394591384 /nfs/dbraw/zinc/59/13/84/394591384.db2.gz RBILJSVTXFGZBH-PELKAZGASA-N -1 0 282.296 2.300 20 5 CEBDRM CCCCOCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130339119 394886491 /nfs/dbraw/zinc/88/64/91/394886491.db2.gz OUNADUHRIRZZAL-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM CC[C@H](CCO)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000094957053 289050866 /nfs/dbraw/zinc/05/08/66/289050866.db2.gz CBXAEFVFZPMDGI-SECBINFHSA-N -1 0 282.296 2.114 20 5 CEBDRM O=C(Nc1ccc2[nH]cnc2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961713 395168548 /nfs/dbraw/zinc/16/85/48/395168548.db2.gz CECXJTBEUBJNMD-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436964303 395168913 /nfs/dbraw/zinc/16/89/13/395168913.db2.gz IAIVTHQYADMRDI-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM CCCCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194741681 395447705 /nfs/dbraw/zinc/44/77/05/395447705.db2.gz WCMMAGLCDNKMFW-UHFFFAOYSA-N -1 0 296.323 2.237 20 5 CEBDRM C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000567865968 395537250 /nfs/dbraw/zinc/53/72/50/395537250.db2.gz KCXBKEHEODIPHB-IUCAKERBSA-N -1 0 282.271 2.281 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179386535 299753667 /nfs/dbraw/zinc/75/36/67/299753667.db2.gz QEOJSZNCZRGAJF-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM CC(C)C[C@@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232624603 153414997 /nfs/dbraw/zinc/41/49/97/153414997.db2.gz RRLMTZNYQRJERE-SECBINFHSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000263275814 154047464 /nfs/dbraw/zinc/04/74/64/154047464.db2.gz WPXMVDNRJKJWBX-UHFFFAOYSA-N -1 0 294.307 2.052 20 5 CEBDRM CCC(=O)c1ccc(N2CC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263522948 154109935 /nfs/dbraw/zinc/10/99/35/154109935.db2.gz RXUKRIOZZREASL-JTQLQIEISA-N -1 0 292.291 2.098 20 5 CEBDRM CC[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)O1 ZINC000361660446 155639945 /nfs/dbraw/zinc/63/99/45/155639945.db2.gz KMEOAKGNVLPJLH-JOYOIKCWSA-N -1 0 280.280 2.197 20 5 CEBDRM O=C([O-])CN(CC1CC1)c1cccc(F)c1[N+](=O)[O-] ZINC000037418975 173196051 /nfs/dbraw/zinc/19/60/51/173196051.db2.gz MFQKNHSSKYVTIY-UHFFFAOYSA-N -1 0 268.244 2.035 20 5 CEBDRM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000040546303 174325241 /nfs/dbraw/zinc/32/52/41/174325241.db2.gz ZSEYPAOJKNOFHG-NSHDSACASA-N -1 0 295.295 2.134 20 5 CEBDRM CC[C@@H](COC)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000079768691 177553165 /nfs/dbraw/zinc/55/31/65/177553165.db2.gz OXQQZEUABXSLPL-QMMMGPOBSA-N -1 0 268.269 2.130 20 5 CEBDRM CCC(CC)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184586523 270243748 /nfs/dbraw/zinc/24/37/48/270243748.db2.gz VVFDPZQUVUJPDA-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM CC(C)(C)c1ccc(C(=O)NCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000236743793 278559911 /nfs/dbraw/zinc/55/99/11/278559911.db2.gz AADZKJUYOHGQSJ-UHFFFAOYSA-N -1 0 294.307 2.097 20 5 CEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccnc1 ZINC000130329060 279934419 /nfs/dbraw/zinc/93/44/19/279934419.db2.gz LKCFOQQMMKYYHE-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CC(C)c1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263172749 280598409 /nfs/dbraw/zinc/59/84/09/280598409.db2.gz QEMNDSHVJBAHKM-UHFFFAOYSA-N -1 0 294.307 2.311 20 5 CEBDRM CC1(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCC1 ZINC000262638944 281588719 /nfs/dbraw/zinc/58/87/19/281588719.db2.gz PQSXLWFYJWGGSD-UHFFFAOYSA-N -1 0 292.291 2.356 20 5 CEBDRM CC1(C)C[C@H]1N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486949252 290323098 /nfs/dbraw/zinc/32/30/98/290323098.db2.gz HVPDRCLGCITJGX-SNVBAGLBSA-N -1 0 274.280 2.277 20 5 CEBDRM COc1cc(N[C@H](C(=O)[O-])C(C)C)c(F)cc1[N+](=O)[O-] ZINC000227855349 295003569 /nfs/dbraw/zinc/00/35/69/295003569.db2.gz GYZRYYDRVAMMEI-NSHDSACASA-N -1 0 286.259 2.264 20 5 CEBDRM COc1cccc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000263275754 295306579 /nfs/dbraw/zinc/30/65/79/295306579.db2.gz WOWUSUHVGPTVQR-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162426879 297452392 /nfs/dbraw/zinc/45/23/92/297452392.db2.gz KSDJRLUUIWEOTC-VIFPVBQESA-N -1 0 279.296 2.314 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000261581777 297882827 /nfs/dbraw/zinc/88/28/27/297882827.db2.gz GGIXBIYHLRNYEN-GFCCVEGCSA-N -1 0 268.244 2.035 20 5 CEBDRM C[C@H](C(=O)[O-])N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000054054744 298212939 /nfs/dbraw/zinc/21/29/39/298212939.db2.gz GYDDHAFXYXOLDK-MRVPVSSYSA-N -1 0 275.264 2.052 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC=C(C)C2)n1 ZINC000565662093 298916327 /nfs/dbraw/zinc/91/63/27/298916327.db2.gz YTGBDXBJGITNGR-UHFFFAOYSA-N -1 0 277.280 2.153 20 5 CEBDRM C[C@]1(F)CCCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000566297713 298964167 /nfs/dbraw/zinc/96/41/67/298964167.db2.gz RUOKBDSBOHFUTR-LBPRGKRZSA-N -1 0 283.259 2.016 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CS[C@@H](C)C2)n1 ZINC000567355986 299056706 /nfs/dbraw/zinc/05/67/06/299056706.db2.gz YMCBJQRAAOVFOS-YUMQZZPRSA-N -1 0 297.336 2.302 20 5 CEBDRM C[C@H]1CCSCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000190042928 300026644 /nfs/dbraw/zinc/02/66/44/300026644.db2.gz ZMPOTUSLYPQJLQ-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM C[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCS1 ZINC000160509246 300804550 /nfs/dbraw/zinc/80/45/50/300804550.db2.gz GMOQWRXQMLHQBV-CYBMUJFWSA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@H](O)C[C@H](C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000519826229 313119918 /nfs/dbraw/zinc/11/99/18/313119918.db2.gz RJECYVUBYYTVIH-UWVGGRQHSA-N -1 0 296.323 2.041 20 5 CEBDRM CO[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000573254071 314148644 /nfs/dbraw/zinc/14/86/44/314148644.db2.gz PJDFZIFRIFVGFY-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](C)C2)n1 ZINC000575127078 314207719 /nfs/dbraw/zinc/20/77/19/314207719.db2.gz YIABITKDVVCJEX-IUCAKERBSA-N -1 0 293.323 2.479 20 5 CEBDRM O=C([O-])C1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000576946695 314325895 /nfs/dbraw/zinc/32/58/95/314325895.db2.gz UGAMCVWEWBMKDA-UHFFFAOYSA-N -1 0 278.264 2.178 20 5 CEBDRM CO[C@H](C)CCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000381716128 321836400 /nfs/dbraw/zinc/83/64/00/321836400.db2.gz KGMPGXJRNKFELJ-MRVPVSSYSA-N -1 0 268.269 2.130 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)(F)F ZINC000389565966 321891624 /nfs/dbraw/zinc/89/16/24/321891624.db2.gz WEVSFSYAALYZOI-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM O=C([O-])c1cc(N2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000580956765 322357602 /nfs/dbraw/zinc/35/76/02/322357602.db2.gz FKKCLFKIVJEHHO-UHFFFAOYSA-N -1 0 292.291 2.052 20 5 CEBDRM COc1cc(N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000583934427 326801143 /nfs/dbraw/zinc/80/11/43/326801143.db2.gz FQSKFBFFBDVBGY-ONGXEEELSA-N -1 0 294.307 2.150 20 5 CEBDRM CC(C)CN(CC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000062742410 519711033 /nfs/dbraw/zinc/71/10/33/519711033.db2.gz RLFXQXRHTFXUOO-UHFFFAOYSA-N -1 0 295.295 2.169 20 5 CEBDRM CC[C@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000357653224 529295332 /nfs/dbraw/zinc/29/53/32/529295332.db2.gz YEANVMCCSMWDDZ-ZETCQYMHSA-N -1 0 291.315 2.017 20 5 CEBDRM O=Cc1ccc(-c2nc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000874972652 649875350 /nfs/dbraw/zinc/87/53/50/649875350.db2.gz KLLCXGYDGSTFGX-UHFFFAOYSA-N -1 0 278.245 2.229 20 5 CEBDRM O=Cc1cc(C(=O)[O-])cc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000874969373 649877101 /nfs/dbraw/zinc/87/71/01/649877101.db2.gz NHGHPJDFUFFZTD-UHFFFAOYSA-N -1 0 272.216 2.168 20 5 CEBDRM Cc1ccnc(N[C@@H]2CCCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740194135 574444160 /nfs/dbraw/zinc/44/41/60/574444160.db2.gz AMHFDKIGFJTXOV-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM CN(C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C(=O)[O-] ZINC000739662636 574500636 /nfs/dbraw/zinc/50/06/36/574500636.db2.gz BWNUOTQVVPXBTJ-SECBINFHSA-N -1 0 297.286 2.170 20 5 CEBDRM Cc1ccc(OC(=O)CCCN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738642043 574524330 /nfs/dbraw/zinc/52/43/30/574524330.db2.gz XRJHMYAGYQOTGO-UHFFFAOYSA-N -1 0 296.279 2.199 20 5 CEBDRM C[C@H]1C[C@H]1Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736762512 574796074 /nfs/dbraw/zinc/79/60/74/574796074.db2.gz BGBDNBOBEWONJZ-YLWLKBPMSA-N -1 0 281.224 2.022 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738573932 574868166 /nfs/dbraw/zinc/86/81/66/574868166.db2.gz DHMLBBMAOGQJAI-UHFFFAOYSA-N -1 0 285.227 2.146 20 5 CEBDRM C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739194562 574899142 /nfs/dbraw/zinc/89/91/42/574899142.db2.gz PPJSGJWGPOWTAX-VHSXEESVSA-N -1 0 279.296 2.077 20 5 CEBDRM O=C([O-])C1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000739563788 574926753 /nfs/dbraw/zinc/92/67/53/574926753.db2.gz LCPSGQIJKTWHFO-UHFFFAOYSA-N -1 0 265.269 2.045 20 5 CEBDRM Cc1ccc(OC(=O)CC(C)(C)NC(=O)[O-])c([N+](=O)[O-])c1 ZINC000740143404 574945306 /nfs/dbraw/zinc/94/53/06/574945306.db2.gz LRCOOLUFKZYUJW-UHFFFAOYSA-N -1 0 296.279 2.245 20 5 CEBDRM O=C([O-])N(CCNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000740489293 574956076 /nfs/dbraw/zinc/95/60/76/574956076.db2.gz WPPMYBZCXBDAET-UHFFFAOYSA-N -1 0 271.298 2.211 20 5 CEBDRM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000036924526 597031360 /nfs/dbraw/zinc/03/13/60/597031360.db2.gz LCSLWHWAPBMENT-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM C[C@@H](SCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000739053856 597070291 /nfs/dbraw/zinc/07/02/91/597070291.db2.gz UOWBNOBGCHJDPU-ZCFIWIBFSA-N -1 0 281.293 2.177 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O[C@H](C)C(=O)[O-] ZINC000820968164 598144690 /nfs/dbraw/zinc/14/46/90/598144690.db2.gz QLCPCMFFAPMFDQ-SECBINFHSA-N -1 0 281.264 2.150 20 5 CEBDRM C/C(=C/COC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000825780393 601407504 /nfs/dbraw/zinc/40/75/04/601407504.db2.gz DRHFKXDXZKHOSO-DAXSKMNVSA-N -1 0 299.666 2.436 20 5 CEBDRM CC(C)[C@@H](CO)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827077084 601410404 /nfs/dbraw/zinc/41/04/04/601410404.db2.gz NPHUCTCKFXAXRA-TXNVCOODSA-N -1 0 294.307 2.121 20 5 CEBDRM Cc1ccnc(NC[C@H]2CCCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740196816 602780597 /nfs/dbraw/zinc/78/05/97/602780597.db2.gz VFBLOFUCKTVSCC-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM Cc1ccc(N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000830342479 603445259 /nfs/dbraw/zinc/44/52/59/603445259.db2.gz ZBPOSMGDEGMKGF-WDEREUQCSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CCC(N(C)C(=O)[O-])CC1 ZINC000830137677 603445470 /nfs/dbraw/zinc/44/54/70/603445470.db2.gz FCGZMFLPOMFNLK-UHFFFAOYSA-N -1 0 293.323 2.482 20 5 CEBDRM CCCC[C@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])cn1 ZINC000826814790 603893556 /nfs/dbraw/zinc/89/35/56/603893556.db2.gz NTBRKGCUYZIICT-SECBINFHSA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000830432758 604254044 /nfs/dbraw/zinc/25/40/44/604254044.db2.gz KQYMJRSGIQHHLV-SECBINFHSA-N -1 0 296.279 2.055 20 5 CEBDRM Cc1cnc(N(CCC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC000832988429 604776967 /nfs/dbraw/zinc/77/69/67/604776967.db2.gz SFDQMOUAVAPDON-UHFFFAOYSA-N -1 0 281.312 2.235 20 5 CEBDRM O=C([O-])NC1(CNc2sccc2[N+](=O)[O-])CCC1 ZINC000834154596 605361912 /nfs/dbraw/zinc/36/19/12/605361912.db2.gz BZGIXGKKDVOERD-UHFFFAOYSA-N -1 0 271.298 2.259 20 5 CEBDRM O=C([O-])NC1(CNc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000834155878 605362966 /nfs/dbraw/zinc/36/29/66/605362966.db2.gz OZRQHONBAZEWQB-UHFFFAOYSA-N -1 0 283.259 2.336 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1 ZINC000825843536 605490207 /nfs/dbraw/zinc/49/02/07/605490207.db2.gz ATBFWXRCMZQDLA-ZJUUUORDSA-N -1 0 279.296 2.220 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)[O-])CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000825846571 605491514 /nfs/dbraw/zinc/49/15/14/605491514.db2.gz WHIDPCUAQWZPIT-PSASIEDQSA-N -1 0 297.286 2.359 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833907527 605499585 /nfs/dbraw/zinc/49/95/85/605499585.db2.gz LKOGODDSLRVPII-QWRGUYRKSA-N -1 0 293.323 2.386 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CCNC(=O)[O-] ZINC000833907307 605541221 /nfs/dbraw/zinc/54/12/21/605541221.db2.gz GDQWCHARIVWGET-VIFPVBQESA-N -1 0 296.279 2.165 20 5 CEBDRM O=C([O-])N[C@H](CNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000834149148 605923334 /nfs/dbraw/zinc/92/33/34/605923334.db2.gz CBWHRHYGIGVTNX-LLVKDONJSA-N -1 0 283.259 2.192 20 5 CEBDRM O=C([O-])NCC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000834224688 605992089 /nfs/dbraw/zinc/99/20/89/605992089.db2.gz FBHAHIGHESRVGQ-UHFFFAOYSA-N -1 0 285.325 2.140 20 5 CEBDRM CN(CC(=O)[O-])c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234280757 623493049 /nfs/dbraw/zinc/49/30/49/623493049.db2.gz DSFJIBVJZUIMEK-UHFFFAOYSA-N -1 0 279.079 2.422 20 5 CEBDRM O=C([O-])c1cc(NCCCCCCO)ccc1[N+](=O)[O-] ZINC000236501173 625949827 /nfs/dbraw/zinc/94/98/27/625949827.db2.gz IUGWHDIZGZMYMS-UHFFFAOYSA-N -1 0 282.296 2.258 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000092922377 628536401 /nfs/dbraw/zinc/53/64/01/628536401.db2.gz XDTWRRODNJDXEB-GXSJLCMTSA-N -1 0 264.281 2.203 20 5 CEBDRM CC[C@H](C)[C@H](Nc1cc(C)c([N+](=O)[O-])cn1)C(=O)[O-] ZINC000262165052 629988674 /nfs/dbraw/zinc/98/86/74/629988674.db2.gz UEVSUPZSSQLMFZ-CPCISQLKSA-N -1 0 267.285 2.209 20 5 CEBDRM O=C(Oc1ccc2c(c1)CCCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000810994812 632320366 /nfs/dbraw/zinc/32/03/66/632320366.db2.gz UCQQPPWCEOWSKE-UHFFFAOYSA-N -1 0 288.259 2.467 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000900400280 633702331 /nfs/dbraw/zinc/70/23/31/633702331.db2.gz KZCXKWQNSRHBRR-VHSXEESVSA-N -1 0 294.282 2.281 20 5 CEBDRM CC[C@H](CNc1cc(C)sc1[N+](=O)[O-])C(=O)[O-] ZINC000900975866 633903077 /nfs/dbraw/zinc/90/30/77/633903077.db2.gz GSAFSUCSJVXWDZ-SSDOTTSWSA-N -1 0 258.299 2.487 20 5 CEBDRM CC(C)(CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)[O-] ZINC000818618869 633962625 /nfs/dbraw/zinc/96/26/25/633962625.db2.gz SJFATSRLKRTOOG-UHFFFAOYSA-N -1 0 297.267 2.416 20 5 CEBDRM C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCS1 ZINC000834689632 637920574 /nfs/dbraw/zinc/92/05/74/637920574.db2.gz TUWQQINDRQVFIN-SCZZXKLOSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C(CC[C@@H]1CCOC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837568700 639287120 /nfs/dbraw/zinc/28/71/20/639287120.db2.gz WWUNSVGEBMUMHY-SNVBAGLBSA-N -1 0 295.291 2.160 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000837578893 639291874 /nfs/dbraw/zinc/29/18/74/639291874.db2.gz SFSHKTZVFQVLEY-QMMMGPOBSA-N -1 0 283.305 2.097 20 5 CEBDRM CC[C@H](SC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837589361 639297436 /nfs/dbraw/zinc/29/74/36/639297436.db2.gz RCORTPJBETZIRX-NSHDSACASA-N -1 0 285.321 2.485 20 5 CEBDRM CC[C@H](CNc1cccc(F)c1[N+](=O)[O-])C(=O)[O-] ZINC000087509285 639666469 /nfs/dbraw/zinc/66/64/69/639666469.db2.gz UQKGHWHPWZFIFK-SSDOTTSWSA-N -1 0 256.233 2.257 20 5 CEBDRM COC[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844211267 640633739 /nfs/dbraw/zinc/63/37/39/640633739.db2.gz WZMHCTKGWVLZDR-XTULLQBASA-N -1 0 280.280 2.139 20 5 CEBDRM CC1(O)CCC(Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000844211236 640633891 /nfs/dbraw/zinc/63/38/91/640633891.db2.gz VIDGLOYGVHUNQT-UHFFFAOYSA-N -1 0 294.307 2.399 20 5 CEBDRM CO[C@@H](COC(=O)c1ccc([N+](=O)[O-])[n-]1)C1CCCC1 ZINC000851435562 643014669 /nfs/dbraw/zinc/01/46/69/643014669.db2.gz YEKOJTADCGJUDO-NSHDSACASA-N -1 0 282.296 2.285 20 5 CEBDRM Cc1ccc2c(c1)C(=O)N[C@H](c1ccc([N+](=O)[O-])c([O-])c1)N2 ZINC000877861502 650931747 /nfs/dbraw/zinc/93/17/47/650931747.db2.gz KYZSNHIFTUUFRF-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000839718480 644790751 /nfs/dbraw/zinc/79/07/51/644790751.db2.gz QPGPDJQYDALLLB-SVGQVSJJSA-N -1 0 291.090 2.303 20 5 CEBDRM C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000773384478 646731439 /nfs/dbraw/zinc/73/14/39/646731439.db2.gz AVHLNEXPICAWPC-UWVGGRQHSA-N -1 0 293.323 2.208 20 5 CEBDRM CCC1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)CCOCC1 ZINC000780635192 647453351 /nfs/dbraw/zinc/45/33/51/647453351.db2.gz AJFXVLKDOBBHIP-UHFFFAOYSA-N -1 0 282.296 2.287 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H](CF)C1 ZINC000881598429 651814470 /nfs/dbraw/zinc/81/44/70/651814470.db2.gz PEAGYOKKSMXUPH-VIFPVBQESA-N -1 0 282.271 2.122 20 5 CEBDRM Cc1cocc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000705152432 802323122 /nfs/dbraw/zinc/32/31/22/802323122.db2.gz NWDVGGNZTBISOE-UHFFFAOYSA-N -1 0 262.221 2.454 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000693388636 802882214 /nfs/dbraw/zinc/88/22/14/802882214.db2.gz MTTRHNJRJCJHLN-KNVOCYPGSA-N -1 0 254.217 2.009 20 5 CEBDRM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C(=O)[O-] ZINC000693429777 802908533 /nfs/dbraw/zinc/90/85/33/802908533.db2.gz JVTACEGSLCLEAX-WPRPVWTQSA-N -1 0 282.271 2.281 20 5 CEBDRM O=C(NCCC1CC=CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000724404058 803104898 /nfs/dbraw/zinc/10/48/98/803104898.db2.gz MTOANOIEVGTSIW-UHFFFAOYSA-N -1 0 276.292 2.387 20 5 CEBDRM Cc1cc(NC[C@@H]2C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000715314105 814946816 /nfs/dbraw/zinc/94/68/16/814946816.db2.gz MOMQZITZUAUVJV-WPRPVWTQSA-N -1 0 250.254 2.036 20 5 CEBDRM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccc([N+](=O)[O-])o1 ZINC000005568330 814536590 /nfs/dbraw/zinc/53/65/90/814536590.db2.gz RZTRFMDUKNDVBN-UHFFFAOYSA-N -1 0 295.182 2.487 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC001174503196 816030471 /nfs/dbraw/zinc/03/04/71/816030471.db2.gz XTYACXDNZIMDCI-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM O=C([O-])c1ccc(Nc2ccnn2CCF)cc1[N+](=O)[O-] ZINC001174503685 816030780 /nfs/dbraw/zinc/03/07/80/816030780.db2.gz HKTJPSFZULZDJA-UHFFFAOYSA-N -1 0 294.242 2.203 20 5 CEBDRM Cc1nn(C)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672659 816452879 /nfs/dbraw/zinc/45/28/79/816452879.db2.gz PVRDALAJCWQNEP-UHFFFAOYSA-N -1 0 276.252 2.079 20 5 CEBDRM COc1cccnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673984 816454206 /nfs/dbraw/zinc/45/42/06/816454206.db2.gz DOVQHZXYRJGBQJ-UHFFFAOYSA-N -1 0 289.247 2.440 20 5 CEBDRM CCO/C=C\C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000492840261 290661689 /nfs/dbraw/zinc/66/16/89/290661689.db2.gz NAHZOHVWJQLUEC-ARJAWSKDSA-N -1 0 286.671 2.443 20 5 CEBDRM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2ncccc12)C(=O)[O-] ZINC000042703982 343455195 /nfs/dbraw/zinc/45/51/95/343455195.db2.gz IBTFIARXTHXVCH-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM CO[C@H](C)CN(C)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000567978068 299103317 /nfs/dbraw/zinc/10/33/17/299103317.db2.gz VUUOAAFWVTYFFR-SECBINFHSA-N -1 0 282.296 2.073 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978625 344174754 /nfs/dbraw/zinc/17/47/54/344174754.db2.gz NMDOZKDVFYKFCM-LSDHHAIUSA-N -1 0 292.335 2.444 20 5 CEBDRM Cc1ccc(NC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000147523724 344412363 /nfs/dbraw/zinc/41/23/63/344412363.db2.gz XNUBQLQAJMPCGH-VIFPVBQESA-N -1 0 252.270 2.426 20 5 CEBDRM CSCCCCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000229289732 344564766 /nfs/dbraw/zinc/56/47/66/344564766.db2.gz MIBSGPXREAJUGQ-UHFFFAOYSA-N -1 0 285.325 2.243 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000235355622 344590376 /nfs/dbraw/zinc/59/03/76/344590376.db2.gz IEXQOECHYHOMQN-VXFNFUGZSA-N -1 0 294.307 2.298 20 5 CEBDRM CSCCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000305973276 344711826 /nfs/dbraw/zinc/71/18/26/344711826.db2.gz LPRVEXFQBPITND-UHFFFAOYSA-N -1 0 284.337 2.482 20 5 CEBDRM C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000584783029 344986140 /nfs/dbraw/zinc/98/61/40/344986140.db2.gz JIPZULQLJXOHPD-RXMQYKEDSA-N -1 0 293.201 2.141 20 5 CEBDRM O=C(NC/C=C/c1cccnc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000590397054 345132909 /nfs/dbraw/zinc/13/29/09/345132909.db2.gz LTIVBMAMCZCFAX-DUXPYHPUSA-N -1 0 299.286 2.139 20 5 CEBDRM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000592903507 345413756 /nfs/dbraw/zinc/41/37/56/345413756.db2.gz PKSGHQMVTXHGNQ-LPEHRKFASA-N -1 0 276.292 2.219 20 5 CEBDRM CCN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592969189 345417144 /nfs/dbraw/zinc/41/71/44/345417144.db2.gz BIOYGAFWEQXZKB-SNVBAGLBSA-N -1 0 294.307 2.156 20 5 CEBDRM CC[C@@H]1C[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000592972542 345417241 /nfs/dbraw/zinc/41/72/41/345417241.db2.gz WWYUZEVOKJQGNZ-RKDXNWHRSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(N[C@@H]2CCCC[C@@H]2O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592968599 345417267 /nfs/dbraw/zinc/41/72/67/345417267.db2.gz SQSMOAVVFMDDEX-NEPJUHHUSA-N -1 0 294.307 2.317 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](C3CC3)C2)n1 ZINC000592976176 345417740 /nfs/dbraw/zinc/41/77/40/345417740.db2.gz YXWGZTAJEMZHHH-SNVBAGLBSA-N -1 0 291.307 2.314 20 5 CEBDRM C[C@H]1COCC[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592975986 345417800 /nfs/dbraw/zinc/41/78/00/345417800.db2.gz GCFNWYRQAFHGTI-ONGXEEELSA-N -1 0 294.307 2.378 20 5 CEBDRM CC1(C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592795346 345397265 /nfs/dbraw/zinc/39/72/65/345397265.db2.gz XDUDVIJUWILECN-UHFFFAOYSA-N -1 0 284.699 2.436 20 5 CEBDRM O=C(NC1(C2CCC2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000593835870 345544371 /nfs/dbraw/zinc/54/43/71/345544371.db2.gz QJXODRPTKMGANA-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@]2(CC2(F)F)C1 ZINC000593887525 345549007 /nfs/dbraw/zinc/54/90/07/345549007.db2.gz VRDUMQZIDCNYMW-LBPRGKRZSA-N -1 0 298.245 2.172 20 5 CEBDRM CC(C)[C@H](CNc1sccc1[N+](=O)[O-])C(=O)[O-] ZINC000594541171 345645443 /nfs/dbraw/zinc/64/54/43/345645443.db2.gz QKGXMDYCZXLWOG-ZETCQYMHSA-N -1 0 258.299 2.425 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000595974879 345919551 /nfs/dbraw/zinc/91/95/51/345919551.db2.gz ZNLLGYQKEIYINX-GHMZBOCLSA-N -1 0 293.323 2.296 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H](C(=O)[O-])C1CCC1 ZINC000595978520 345920520 /nfs/dbraw/zinc/92/05/20/345920520.db2.gz XGUKLPOUHQKJPV-NSHDSACASA-N -1 0 279.296 2.211 20 5 CEBDRM CC12CC(C1)CN2c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000596026973 345924844 /nfs/dbraw/zinc/92/48/44/345924844.db2.gz VAERGHTXFXMDLU-UHFFFAOYSA-N -1 0 262.265 2.282 20 5 CEBDRM CO[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000597492260 346193192 /nfs/dbraw/zinc/19/31/92/346193192.db2.gz YSDGOSITPKJYOO-CYBMUJFWSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000085328642 179018962 /nfs/dbraw/zinc/01/89/62/179018962.db2.gz CVQZOJKHRFYTHG-MNOVXSKESA-N -1 0 250.254 2.260 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000598235008 346312976 /nfs/dbraw/zinc/31/29/76/346312976.db2.gz VKHYRTATIVSPRH-GFCCVEGCSA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@@H](Sc1nc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000097824230 185671838 /nfs/dbraw/zinc/67/18/38/185671838.db2.gz IDMJECNDRKZUPS-MRVPVSSYSA-N -1 0 256.283 2.254 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000598380280 346342389 /nfs/dbraw/zinc/34/23/89/346342389.db2.gz HADTZHNRZRQUIL-CYBMUJFWSA-N -1 0 278.308 2.465 20 5 CEBDRM CCO[C@@]1(C)C[C@H]1Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600678342 346672082 /nfs/dbraw/zinc/67/20/82/346672082.db2.gz JVCXVKQVONZNOQ-YPMHNXCESA-N -1 0 280.280 2.272 20 5 CEBDRM Cc1ccc(CN=c2[n-]nc([C@H]3C[C@H]3C)o2)cc1[N+](=O)[O-] ZINC000601064914 346742076 /nfs/dbraw/zinc/74/20/76/346742076.db2.gz UIFNGJRRIUHAOB-KOLCDFICSA-N -1 0 288.307 2.444 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H]1F ZINC000611508271 347787954 /nfs/dbraw/zinc/78/79/54/347787954.db2.gz HJEHEEJHRLACRY-WCBMZHEXSA-N -1 0 282.271 2.121 20 5 CEBDRM CN(CCOC(C)(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612555995 347900922 /nfs/dbraw/zinc/90/09/22/347900922.db2.gz HELVPWMZHGTLOM-UHFFFAOYSA-N -1 0 296.323 2.188 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H]1F ZINC000612565940 347902034 /nfs/dbraw/zinc/90/20/34/347902034.db2.gz NKOBTDXPAVECJT-PSASIEDQSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CC(F)(F)C1 ZINC000356279833 232804480 /nfs/dbraw/zinc/80/44/80/232804480.db2.gz LWNAPGJQJJHMBX-UHFFFAOYSA-N -1 0 272.207 2.284 20 5 CEBDRM C[C@]1(C(=O)[O-])CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086816122 179343147 /nfs/dbraw/zinc/34/31/47/179343147.db2.gz SPOWHFRXDYPFGC-LLVKDONJSA-N -1 0 270.310 2.095 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1F ZINC000614015503 348134274 /nfs/dbraw/zinc/13/42/74/348134274.db2.gz WIRKMLLROHUPLJ-KWQFWETISA-N -1 0 282.271 2.121 20 5 CEBDRM CC[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000087509657 179436934 /nfs/dbraw/zinc/43/69/34/179436934.db2.gz XHYKBRROUQVOAR-ZETCQYMHSA-N -1 0 256.233 2.257 20 5 CEBDRM C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000569120527 299182525 /nfs/dbraw/zinc/18/25/25/299182525.db2.gz XYKHOVBCHBLNBT-SCZZXKLOSA-N -1 0 284.337 2.199 20 5 CEBDRM C[C@@H]1SCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000152463715 188021145 /nfs/dbraw/zinc/02/11/45/188021145.db2.gz DLHCVNCVETZNOU-IUCAKERBSA-N -1 0 296.348 2.266 20 5 CEBDRM C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152463633 188021801 /nfs/dbraw/zinc/02/18/01/188021801.db2.gz DLHCVNCVETZNOU-BDAKNGLRSA-N -1 0 296.348 2.266 20 5 CEBDRM CC[C@H](C)NS(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000132481859 366147929 /nfs/dbraw/zinc/14/79/29/366147929.db2.gz XGLNBOANNMMTAI-ZETCQYMHSA-N -1 0 290.316 2.119 20 5 CEBDRM CC(C)O[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000295793335 199666145 /nfs/dbraw/zinc/66/61/45/199666145.db2.gz ZGLWGHRVIOTWRW-UHFFFAOYSA-N -1 0 277.280 2.006 20 5 CEBDRM CC[C@H](C)CONC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000293821815 198785423 /nfs/dbraw/zinc/78/54/23/198785423.db2.gz VCYIIWOFIXVELH-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM CCCc1nc(=NC(=O)c2ccccc2[N+](=O)[O-])s[n-]1 ZINC000338641264 366450620 /nfs/dbraw/zinc/45/06/20/366450620.db2.gz CYAVQNMOUFNJTE-UHFFFAOYSA-N -1 0 292.320 2.073 20 5 CEBDRM C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC(CO)CC1 ZINC000339043437 366627378 /nfs/dbraw/zinc/62/73/78/366627378.db2.gz OBWBNXFAGOOXTE-UHFFFAOYSA-N -1 0 294.351 2.283 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353010213 219791682 /nfs/dbraw/zinc/79/16/82/219791682.db2.gz UOHPCOVWWKIJFN-SNVBAGLBSA-N -1 0 296.323 2.235 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@]12CCOC2 ZINC000339173583 366690073 /nfs/dbraw/zinc/69/00/73/366690073.db2.gz SKABDRPSQOMOHE-AWEZNQCLSA-N -1 0 278.308 2.055 20 5 CEBDRM C[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000087724937 363868463 /nfs/dbraw/zinc/86/84/63/363868463.db2.gz HUJGMPRRYDDQJQ-SECBINFHSA-N -1 0 294.307 2.273 20 5 CEBDRM O=C([O-])[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000263511916 304122458 /nfs/dbraw/zinc/12/24/58/304122458.db2.gz NROFXMWZZBTPJF-SSDOTTSWSA-N -1 0 270.672 2.159 20 5 CEBDRM CC[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000166103178 367317991 /nfs/dbraw/zinc/31/79/91/367317991.db2.gz LHSDGAVMYZRPOU-MWLCHTKSSA-N -1 0 294.307 2.444 20 5 CEBDRM Cc1ccoc1CNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343571636 367891403 /nfs/dbraw/zinc/89/14/03/367891403.db2.gz BVPUFKKRVWWHND-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(CO)c1 ZINC000343806730 368014566 /nfs/dbraw/zinc/01/45/66/368014566.db2.gz KVFTWQSEFVTNTD-UHFFFAOYSA-N -1 0 288.259 2.045 20 5 CEBDRM C[C@H]1SCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1C ZINC000179507641 368341742 /nfs/dbraw/zinc/34/17/42/368341742.db2.gz DGVKSRYVUCULAC-RKDXNWHRSA-N -1 0 296.348 2.266 20 5 CEBDRM CC[C@@H](C)OCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000182089221 368523186 /nfs/dbraw/zinc/52/31/86/368523186.db2.gz LTGPSOOSUFIMQS-MRVPVSSYSA-N -1 0 268.269 2.054 20 5 CEBDRM COC(C)(C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182051463 368519588 /nfs/dbraw/zinc/51/95/88/368519588.db2.gz OTPUJGACJWUVFX-SECBINFHSA-N -1 0 296.323 2.234 20 5 CEBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000348060517 368881332 /nfs/dbraw/zinc/88/13/32/368881332.db2.gz BHNKAUWYJCRBHL-VIFPVBQESA-N -1 0 292.213 2.371 20 5 CEBDRM C[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235138603 370556133 /nfs/dbraw/zinc/55/61/33/370556133.db2.gz CMDVAOUFDPLABK-LURJTMIESA-N -1 0 292.213 2.371 20 5 CEBDRM CCC(C)(C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236851622 370639883 /nfs/dbraw/zinc/63/98/83/370639883.db2.gz ZKURITBKNWGHLI-UHFFFAOYSA-N -1 0 280.280 2.211 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC12CCC2 ZINC000359444422 371462567 /nfs/dbraw/zinc/46/25/67/371462567.db2.gz UNJHTKSECSMHQN-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM C/C=C/C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000262827767 371912178 /nfs/dbraw/zinc/91/21/78/371912178.db2.gz QTDYQJJKFPMPQR-PGLGOXFNSA-N -1 0 292.291 2.052 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccccc2[N+](=O)[O-])C1 ZINC000263218971 371930725 /nfs/dbraw/zinc/93/07/25/371930725.db2.gz OQMZGRMEGBOYNG-VHSXEESVSA-N -1 0 264.281 2.142 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1=O ZINC000361660551 372011555 /nfs/dbraw/zinc/01/15/55/372011555.db2.gz KZPMHZKAJDPXKN-IUCAKERBSA-N -1 0 292.291 2.244 20 5 CEBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3cccnc3)no2)c1 ZINC000362697656 372492845 /nfs/dbraw/zinc/49/28/45/372492845.db2.gz CVQDFQAGYFQUHM-UHFFFAOYSA-N -1 0 284.231 2.412 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000408410021 375474007 /nfs/dbraw/zinc/47/40/07/375474007.db2.gz IEQAZLYCYMGAIF-CABZTGNLSA-N -1 0 276.292 2.315 20 5 CEBDRM O=C(N[C@@H]1CCCC[C@H]1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000412669360 375650097 /nfs/dbraw/zinc/65/00/97/375650097.db2.gz GPSVBKSZJVGDTB-VXGBXAGGSA-N -1 0 282.271 2.311 20 5 CEBDRM CCOC1CC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000287957804 376348700 /nfs/dbraw/zinc/34/87/00/376348700.db2.gz VPFQAMGAKZXFIB-UHFFFAOYSA-N -1 0 280.280 2.054 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1(CCF)CC1 ZINC000290845448 376952348 /nfs/dbraw/zinc/95/23/48/376952348.db2.gz YMWLXBYJLCBVTD-UHFFFAOYSA-N -1 0 268.244 2.379 20 5 CEBDRM CC[C@@]1(C)COCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330450711 377140187 /nfs/dbraw/zinc/14/01/87/377140187.db2.gz JMZSOQLDLNINIQ-AWEZNQCLSA-N -1 0 280.324 2.301 20 5 CEBDRM CO[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458979 377144415 /nfs/dbraw/zinc/14/44/15/377144415.db2.gz SMFYAQQJFFBKKA-HZMBPMFUSA-N -1 0 280.324 2.157 20 5 CEBDRM C[C@H](NC(=O)C1(C(=O)[O-])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000563960619 377329489 /nfs/dbraw/zinc/32/94/89/377329489.db2.gz UYTKVIYTXKYBGJ-VIFPVBQESA-N -1 0 292.291 2.027 20 5 CEBDRM Cc1[nH]nc(C(=O)Nc2c([O-])cccc2Cl)c1[N+](=O)[O-] ZINC000563704418 377278966 /nfs/dbraw/zinc/27/89/66/377278966.db2.gz ZJXSGXRIPPSKDZ-UHFFFAOYSA-N -1 0 296.670 2.238 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC2(CCC2(F)F)C1 ZINC000427728192 377439716 /nfs/dbraw/zinc/43/97/16/377439716.db2.gz ORRXFHCCLKGVTN-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM Cc1cc(NCCC(C)(C)C(=O)[O-])ncc1[N+](=O)[O-] ZINC000302565048 379397734 /nfs/dbraw/zinc/39/77/34/379397734.db2.gz NMCBNSBPUGIKIJ-UHFFFAOYSA-N -1 0 267.285 2.211 20 5 CEBDRM O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456867282 379580952 /nfs/dbraw/zinc/58/09/52/379580952.db2.gz IXRGYYAWKFRVTB-CABZTGNLSA-N -1 0 276.292 2.076 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(S[C@H]2CCOC2)c1 ZINC000362604839 304251157 /nfs/dbraw/zinc/25/11/57/304251157.db2.gz XKGNUWBSSOLLIM-QMMMGPOBSA-N -1 0 269.278 2.174 20 5 CEBDRM CC1=C(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])SCCO1 ZINC000281289232 195183445 /nfs/dbraw/zinc/18/34/45/195183445.db2.gz QSWHEGUCCTYGBL-UHFFFAOYSA-N -1 0 296.304 2.234 20 5 CEBDRM C[C@@H]1C[C@H]1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355564018 394464213 /nfs/dbraw/zinc/46/42/13/394464213.db2.gz IRWSOZMRFSPYKK-SFYZADRCSA-N -1 0 250.254 2.285 20 5 CEBDRM CC1=C[C@@H](C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000355624520 394479729 /nfs/dbraw/zinc/47/97/29/394479729.db2.gz FLHWTNJFHANIPU-SECBINFHSA-N -1 0 276.292 2.339 20 5 CEBDRM O=C(Nc1ccccc1O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355662746 394492465 /nfs/dbraw/zinc/49/24/65/394492465.db2.gz SUMGWCVRDYRVPC-UHFFFAOYSA-N -1 0 274.232 2.258 20 5 CEBDRM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCS1 ZINC000330614301 394621988 /nfs/dbraw/zinc/62/19/88/394621988.db2.gz RWTQAILOWRIPTE-SECBINFHSA-N -1 0 268.338 2.238 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1[O-] ZINC000122468522 394814146 /nfs/dbraw/zinc/81/41/46/394814146.db2.gz WWLQOVLHVZWLNS-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@H]1CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436498990 395121937 /nfs/dbraw/zinc/12/19/37/395121937.db2.gz YERHDHPWSIDWPK-GZMMTYOYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCC2(F)F)C1 ZINC000436812613 395155914 /nfs/dbraw/zinc/15/59/14/395155914.db2.gz FOENDKSCVIYQOL-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM CC(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436999105 395172337 /nfs/dbraw/zinc/17/23/37/395172337.db2.gz IXBILAWCWCEIJT-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194738749 395447454 /nfs/dbraw/zinc/44/74/54/395447454.db2.gz BBWQVDIHTKENEA-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM O=C([O-])c1cc(NCC2(CCO)CCC2)ccc1[N+](=O)[O-] ZINC000565662072 395480337 /nfs/dbraw/zinc/48/03/37/395480337.db2.gz YLHUTSBKBNNQSL-UHFFFAOYSA-N -1 0 294.307 2.258 20 5 CEBDRM CC[C@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574991765 395642941 /nfs/dbraw/zinc/64/29/41/395642941.db2.gz IICSLYXEBJQEOE-QPUJVOFHSA-N -1 0 282.296 2.112 20 5 CEBDRM CCC(CC)(CNc1ncc([N+](=O)[O-])s1)C(=O)[O-] ZINC000226764501 153339568 /nfs/dbraw/zinc/33/95/68/153339568.db2.gz YBFRFOVDZAGHMJ-UHFFFAOYSA-N -1 0 273.314 2.354 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OC[C@H]2CCC[C@H]12 ZINC000368645561 156383471 /nfs/dbraw/zinc/38/34/71/156383471.db2.gz GPTBTNNTVRIJAQ-DFAYQTQMSA-N -1 0 292.291 2.054 20 5 CEBDRM O=C([O-])CCCCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000019433784 170798729 /nfs/dbraw/zinc/79/87/29/170798729.db2.gz BAGHXVRZQUOHHM-UHFFFAOYSA-N -1 0 294.307 2.360 20 5 CEBDRM Cc1c(NC(=O)CCCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000036138001 172461530 /nfs/dbraw/zinc/46/15/30/172461530.db2.gz ZTAGDCZOPDVTKA-UHFFFAOYSA-N -1 0 280.280 2.487 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000565367346 298898750 /nfs/dbraw/zinc/89/87/50/298898750.db2.gz LJKIQQDXJBZBAL-NDMJEZRESA-N -1 0 292.291 2.272 20 5 CEBDRM CCN(CCC(=O)[O-])c1ccc([N+](=O)[O-])c2cnccc21 ZINC000038023895 174005949 /nfs/dbraw/zinc/00/59/49/174005949.db2.gz YLVLRODFSCTUBL-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM COCCCCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000518192404 260352702 /nfs/dbraw/zinc/35/27/02/260352702.db2.gz HSZJBLOMYFNCIA-UHFFFAOYSA-N -1 0 282.296 2.440 20 5 CEBDRM O=C([O-])c1cc(N[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000236542781 270315556 /nfs/dbraw/zinc/31/55/56/270315556.db2.gz SRILPJGYXTUGHQ-JQWIXIFHSA-N -1 0 280.280 2.008 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nncs1 ZINC000436473011 271667950 /nfs/dbraw/zinc/66/79/50/271667950.db2.gz DJNMOGBCPRYWNR-UHFFFAOYSA-N -1 0 269.307 2.444 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000133727006 280003821 /nfs/dbraw/zinc/00/38/21/280003821.db2.gz VRLUJIOTBTUSMG-CQSZACIVSA-N -1 0 294.307 2.295 20 5 CEBDRM CC(C)=CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355181981 280639738 /nfs/dbraw/zinc/63/97/38/280639738.db2.gz DFQKTWKYHCYFBL-UHFFFAOYSA-N -1 0 264.281 2.387 20 5 CEBDRM C[C@@H]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000399519785 280707812 /nfs/dbraw/zinc/70/78/12/280707812.db2.gz CDXRYORPUKDDAM-BBBLOLIVSA-N -1 0 278.308 2.417 20 5 CEBDRM C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000444471922 281607463 /nfs/dbraw/zinc/60/74/63/281607463.db2.gz BJQSCJIMYDYECZ-IUCAKERBSA-N -1 0 264.281 2.219 20 5 CEBDRM CCC(C)(C)OCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000457352259 289763902 /nfs/dbraw/zinc/76/39/02/289763902.db2.gz FCJKLEJWYCWQCG-UHFFFAOYSA-N -1 0 296.323 2.235 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263241864 295254553 /nfs/dbraw/zinc/25/45/53/295254553.db2.gz RSSHQDDXOYTLGU-VHSXEESVSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280761514 297780804 /nfs/dbraw/zinc/78/08/04/297780804.db2.gz BAZASWFUNOAPAL-BDAKNGLRSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1cc(NC[C@H](C)CCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000564212401 298821684 /nfs/dbraw/zinc/82/16/84/298821684.db2.gz APNPLUDHYXQWHC-MRVPVSSYSA-N -1 0 282.296 2.032 20 5 CEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000225820194 300198435 /nfs/dbraw/zinc/19/84/35/300198435.db2.gz QXZOZTYEXMMQGF-IUCAKERBSA-N -1 0 264.281 2.028 20 5 CEBDRM C[C@]1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCOC1 ZINC000361654734 300775101 /nfs/dbraw/zinc/77/51/01/300775101.db2.gz MHGXBRYKOSBWSK-ZDUSSCGKSA-N -1 0 280.280 2.056 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3CCC[C@@H]3F)[n-]2)cc1 ZINC000338844077 304801894 /nfs/dbraw/zinc/80/18/94/304801894.db2.gz PNWYCTJJHFUDDW-QWRGUYRKSA-N -1 0 292.270 2.369 20 5 CEBDRM CC(C)[C@H]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000160236763 312637864 /nfs/dbraw/zinc/63/78/64/312637864.db2.gz PWEORYQSBBMEPK-VIFPVBQESA-N -1 0 279.296 2.170 20 5 CEBDRM Cc1cc(N[C@H]2CC[C@H](O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573209520 314145253 /nfs/dbraw/zinc/14/52/53/314145253.db2.gz DRUZKYOOAXQQLP-MGCOHNPYSA-N -1 0 294.307 2.317 20 5 CEBDRM CC1C[C@H]2CC[C@@H](C1)N2c1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576004337 314233309 /nfs/dbraw/zinc/23/33/09/314233309.db2.gz UECKMFQBAPATIC-UQPYNNQESA-N -1 0 291.307 2.455 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CC23CCOCC3)ccc1[N+](=O)[O-] ZINC000386931183 321875282 /nfs/dbraw/zinc/87/52/82/321875282.db2.gz RMKIEXPADCCPMV-GFCCVEGCSA-N -1 0 292.291 2.274 20 5 CEBDRM Cc1cc(NC[C@@]2(C)CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581312678 322386407 /nfs/dbraw/zinc/38/64/07/322386407.db2.gz ASPGZIHRHBUYDJ-CQSZACIVSA-N -1 0 294.307 2.440 20 5 CEBDRM O=C(Nc1nccs1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164047653 534476660 /nfs/dbraw/zinc/47/66/60/534476660.db2.gz STHCATINJZZHFT-UHFFFAOYSA-N -1 0 265.250 2.009 20 5 CEBDRM COCCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182444171 523458206 /nfs/dbraw/zinc/45/82/06/523458206.db2.gz UYQBGRBKQSHYJD-SECBINFHSA-N -1 0 282.296 2.302 20 5 CEBDRM Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000050194976 526263614 /nfs/dbraw/zinc/26/36/14/526263614.db2.gz HTGDDYBFXRFHJB-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCOCC1 ZINC000366026270 527131490 /nfs/dbraw/zinc/13/14/90/527131490.db2.gz TVWMVSCPPZEFHH-SECBINFHSA-N -1 0 280.280 2.056 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCOCC1 ZINC000366026273 527131879 /nfs/dbraw/zinc/13/18/79/527131879.db2.gz TVWMVSCPPZEFHH-VIFPVBQESA-N -1 0 280.280 2.056 20 5 CEBDRM Cc1ccnc(NCC[C@@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740194695 574444215 /nfs/dbraw/zinc/44/42/15/574444215.db2.gz HCQPQHWMMPUPIX-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])N1CC[C@H](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000740497657 574466720 /nfs/dbraw/zinc/46/67/20/574466720.db2.gz PBRSXPJJFIXUKM-QMMMGPOBSA-N -1 0 285.325 2.458 20 5 CEBDRM C[C@@H]1CN(C(=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000739164168 574897734 /nfs/dbraw/zinc/89/77/34/574897734.db2.gz SBYJMLFAPFDMFV-MRVPVSSYSA-N -1 0 299.714 2.437 20 5 CEBDRM C[C@H]1CN(c2cccc(F)c2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739196965 574899109 /nfs/dbraw/zinc/89/91/09/574899109.db2.gz XAYISLAMQVAPIG-WCBMZHEXSA-N -1 0 297.286 2.216 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000739625648 574928872 /nfs/dbraw/zinc/92/88/72/574928872.db2.gz QQXKFHXUWCLSBU-HWKANZROSA-N -1 0 292.291 2.020 20 5 CEBDRM CN(C(=O)[O-])[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000739589051 574927835 /nfs/dbraw/zinc/92/78/35/574927835.db2.gz VGYPSKJSOSIBKG-MRVPVSSYSA-N -1 0 285.325 2.235 20 5 CEBDRM CN(C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1)C(=O)[O-] ZINC000739662847 574930126 /nfs/dbraw/zinc/93/01/26/574930126.db2.gz FLAQNCZOGXUWSA-MRVPVSSYSA-N -1 0 285.325 2.092 20 5 CEBDRM Cc1ccnc(NC[C@H]2CCCCN2C(=O)[O-])c1[N+](=O)[O-] ZINC000740196950 574947719 /nfs/dbraw/zinc/94/77/19/574947719.db2.gz XQIPTGMJCGWBBB-SNVBAGLBSA-N -1 0 294.311 2.243 20 5 CEBDRM O=C([O-])NC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000740543664 574958439 /nfs/dbraw/zinc/95/84/39/574958439.db2.gz ZUDRMMOWPGKALB-UHFFFAOYSA-N -1 0 293.279 2.114 20 5 CEBDRM O=C([O-])NC[C@H]1CCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000740625277 574961913 /nfs/dbraw/zinc/96/19/13/574961913.db2.gz KHEOQKMCWCCYCL-ZJUUUORDSA-N -1 0 279.296 2.443 20 5 CEBDRM CC(C)OCCCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000690411449 600817549 /nfs/dbraw/zinc/81/75/49/600817549.db2.gz VCTUODSMJJNERI-UHFFFAOYSA-N -1 0 283.280 2.487 20 5 CEBDRM C/C=C(\C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000828534239 601288818 /nfs/dbraw/zinc/28/88/18/601288818.db2.gz FTWZUFSLBMHTEW-XVNBXDOJSA-N -1 0 264.237 2.198 20 5 CEBDRM CCOc1cc(N2C[C@H](C(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000223793297 601562669 /nfs/dbraw/zinc/56/26/69/601562669.db2.gz OHKIMPRKJDTJTO-KOLCDFICSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1nc(N[C@H](C(=O)[O-])C(C)(C)C)ccc1[N+](=O)[O-] ZINC000833001959 601946535 /nfs/dbraw/zinc/94/65/35/601946535.db2.gz FOBKFKPTFJTIOW-SNVBAGLBSA-N -1 0 267.285 2.209 20 5 CEBDRM O=C([O-])c1cc(NC(=O)[C@@H]2CC23CCC3)cc([N+](=O)[O-])c1 ZINC000833299358 601960560 /nfs/dbraw/zinc/96/05/60/601960560.db2.gz DEJRSZHBARUXFJ-NSHDSACASA-N -1 0 290.275 2.422 20 5 CEBDRM CC[C@H](O)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000829004265 602011980 /nfs/dbraw/zinc/01/19/80/602011980.db2.gz DEMLZQQZHHIWKF-QZPNVGJNSA-N -1 0 294.307 2.266 20 5 CEBDRM C[C@H](CC(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000827392042 602102648 /nfs/dbraw/zinc/10/26/48/602102648.db2.gz QVPNABQQMWIZAV-SSDOTTSWSA-N -1 0 277.236 2.223 20 5 CEBDRM C[C@@H](CC(=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000827392295 602104338 /nfs/dbraw/zinc/10/43/38/602104338.db2.gz XBTBVQYYSZKDDR-ZETCQYMHSA-N -1 0 277.236 2.223 20 5 CEBDRM Cc1nc(S[C@@H](C)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000123614355 602129491 /nfs/dbraw/zinc/12/94/91/602129491.db2.gz WAZFZSKEBZQMFO-LURJTMIESA-N -1 0 256.283 2.254 20 5 CEBDRM CN(C[C@@H]1CCCN1c1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828236541 603202883 /nfs/dbraw/zinc/20/28/83/603202883.db2.gz RNOPSBYCVCCVFS-JTQLQIEISA-N -1 0 297.286 2.313 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000830428013 603555733 /nfs/dbraw/zinc/55/57/33/603555733.db2.gz QGIHGVSTJYFXEL-SNVBAGLBSA-N -1 0 279.296 2.092 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC000832580090 603907207 /nfs/dbraw/zinc/90/72/07/603907207.db2.gz ZNLTVNPAHPYHIW-VIFPVBQESA-N -1 0 299.714 2.485 20 5 CEBDRM CC1(C)CN(C(=O)[O-])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000825729252 603916304 /nfs/dbraw/zinc/91/63/04/603916304.db2.gz QVAJQLNLDGJECL-UHFFFAOYSA-N -1 0 299.352 2.231 20 5 CEBDRM Cc1c(NC(=O)[C@@H](C)CN(C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829877769 604059491 /nfs/dbraw/zinc/05/94/91/604059491.db2.gz TVKCIKCRYPEPPS-QMMMGPOBSA-N -1 0 295.295 2.088 20 5 CEBDRM CCOc1cc(N(CC)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000111613771 604830965 /nfs/dbraw/zinc/83/09/65/604830965.db2.gz ULVOHNPOCBSYMK-UHFFFAOYSA-N -1 0 282.296 2.295 20 5 CEBDRM COc1cc(F)c([N+](=O)[O-])c(NCC(C)(C)C(=O)[O-])c1 ZINC000833730026 604832866 /nfs/dbraw/zinc/83/28/66/604832866.db2.gz YUYFXBSTQUJQTA-UHFFFAOYSA-N -1 0 286.259 2.265 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830426797 604882746 /nfs/dbraw/zinc/88/27/46/604882746.db2.gz BIWAEXPIENIELI-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccccc2[N+](=O)[O-])O1 ZINC000833581684 604886326 /nfs/dbraw/zinc/88/63/26/604886326.db2.gz PPCUOWPGNJKLGK-VIFPVBQESA-N -1 0 279.248 2.121 20 5 CEBDRM CC(=O)c1ccc(OC/C=C(\C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833401933 604991717 /nfs/dbraw/zinc/99/17/17/604991717.db2.gz ULHVBDYMTJYGCB-VMPITWQZSA-N -1 0 279.248 2.207 20 5 CEBDRM CC1(C)C[C@@H]1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833557541 605149592 /nfs/dbraw/zinc/14/95/92/605149592.db2.gz XCUSFDZIGPOODQ-SNVBAGLBSA-N -1 0 278.264 2.278 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2cc([N+](=O)[O-])ccc2C)O1 ZINC000833577859 605235177 /nfs/dbraw/zinc/23/51/77/605235177.db2.gz IZIISJWSJCSQFV-LLVKDONJSA-N -1 0 293.275 2.430 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc(C)c([N+](=O)[O-])c2)O1 ZINC000833581819 605238266 /nfs/dbraw/zinc/23/82/66/605238266.db2.gz XTSTYBIQYPFVGJ-LLVKDONJSA-N -1 0 293.275 2.430 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000832579709 605340609 /nfs/dbraw/zinc/34/06/09/605340609.db2.gz WXSLPMYNVRPSFU-VIFPVBQESA-N -1 0 299.714 2.485 20 5 CEBDRM C[C@@H](CCNc1ncc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000824802586 605477925 /nfs/dbraw/zinc/47/79/25/605477925.db2.gz LYDMCWBMJGXPKI-LURJTMIESA-N -1 0 288.691 2.101 20 5 CEBDRM CS[C@H]1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000235146757 624847078 /nfs/dbraw/zinc/84/70/78/624847078.db2.gz NCTDZSOJXBKXBM-IUCAKERBSA-N -1 0 297.336 2.384 20 5 CEBDRM O=C(Nn1cnc2ccccc21)c1cccc([O-])c1[N+](=O)[O-] ZINC000798153178 630821942 /nfs/dbraw/zinc/82/19/42/630821942.db2.gz LVWIZSQQEKJQHY-UHFFFAOYSA-N -1 0 298.258 2.034 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000899408658 632838504 /nfs/dbraw/zinc/83/85/04/632838504.db2.gz YZWSSCPSKMXLOP-QTKMDUPCSA-N -1 0 290.319 2.322 20 5 CEBDRM C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000899419847 632842243 /nfs/dbraw/zinc/84/22/43/632842243.db2.gz YEDYINGYBSXTQQ-KXGXSXBTSA-N -1 0 290.319 2.322 20 5 CEBDRM Cc1cc(N2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])s1 ZINC000900938607 633894530 /nfs/dbraw/zinc/89/45/30/633894530.db2.gz CZEVQRUZHKDCKE-MRVPVSSYSA-N -1 0 270.310 2.266 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CSCCO[C@@H]1CCOC1 ZINC000901831786 634324308 /nfs/dbraw/zinc/32/43/08/634324308.db2.gz AUBSJUJKKYLKOD-GFCCVEGCSA-N -1 0 299.348 2.339 20 5 CEBDRM O=C([O-])Cc1ccc(N2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000906149796 636625682 /nfs/dbraw/zinc/62/56/82/636625682.db2.gz XKZZWEMJZQHIRF-JTQLQIEISA-N -1 0 282.271 2.018 20 5 CEBDRM C/C(=C/CNc1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000906149722 636626070 /nfs/dbraw/zinc/62/60/70/636626070.db2.gz CUVLMHLZMSQEAO-YVMONPNESA-N -1 0 250.254 2.346 20 5 CEBDRM C[C@@H]1CCC[C@H](C)N1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000907988730 637202582 /nfs/dbraw/zinc/20/25/82/637202582.db2.gz JAVMLRZONBLBCS-AOOOYVTPSA-N -1 0 293.323 2.208 20 5 CEBDRM CC1=NO[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000831686159 637409856 /nfs/dbraw/zinc/40/98/56/637409856.db2.gz MEMRWIYRSCVHJF-SECBINFHSA-N -1 0 299.670 2.057 20 5 CEBDRM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCS1 ZINC000834665459 637911940 /nfs/dbraw/zinc/91/19/40/637911940.db2.gz HPRGLRANJZXTJR-WCBMZHEXSA-N -1 0 296.348 2.314 20 5 CEBDRM O=C([O-])[C@]12CN(c3ccc([N+](=O)[O-])cn3)C[C@H]1CCCC2 ZINC000910474033 638067781 /nfs/dbraw/zinc/06/77/81/638067781.db2.gz GHCZNHIPOJXVMB-QMTHXVAHSA-N -1 0 291.307 2.071 20 5 CEBDRM O=C([O-])[C@]1(F)CN(c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000910474833 638068819 /nfs/dbraw/zinc/06/88/19/638068819.db2.gz NUKDNOLHTWZPHR-CQSZACIVSA-N -1 0 294.282 2.378 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000837570051 639287023 /nfs/dbraw/zinc/28/70/23/639287023.db2.gz YPYPVFVWAMOBSX-UHFFFAOYSA-N -1 0 287.218 2.389 20 5 CEBDRM CCCSCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837680058 639339512 /nfs/dbraw/zinc/33/95/12/639339512.db2.gz AZQDWEANYKIROC-UHFFFAOYSA-N -1 0 285.321 2.487 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@](C)(C(=O)[O-])C1 ZINC000841495012 639777168 /nfs/dbraw/zinc/77/71/68/639777168.db2.gz IMQVUMJDNBZMDW-AWEZNQCLSA-N -1 0 292.291 2.098 20 5 CEBDRM CC(C)(O)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844208702 640632799 /nfs/dbraw/zinc/63/27/99/640632799.db2.gz GCTLSTYXTGJMKZ-GQCTYLIASA-N -1 0 294.307 2.266 20 5 CEBDRM C[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000923056740 643541360 /nfs/dbraw/zinc/54/13/60/643541360.db2.gz CEAJVOOBKAXVFI-TVQRCGJNSA-N -1 0 295.291 2.159 20 5 CEBDRM Cc1ccc2c(c1)C(=O)N[C@H](c1ccc([O-])c([N+](=O)[O-])c1)N2 ZINC000877865017 650932531 /nfs/dbraw/zinc/93/25/31/650932531.db2.gz VXWXPNFDLAPLQV-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(Nn1cnc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769465393 646272567 /nfs/dbraw/zinc/27/25/67/646272567.db2.gz YMDVUHLJOUOBOY-UHFFFAOYSA-N -1 0 298.258 2.034 20 5 CEBDRM CS[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000773191911 646714643 /nfs/dbraw/zinc/71/46/43/646714643.db2.gz NSANTTYFOJOJLF-WPRPVWTQSA-N -1 0 296.348 2.314 20 5 CEBDRM CC(C)c1nsc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000793213896 648724570 /nfs/dbraw/zinc/72/45/70/648724570.db2.gz KPMMHTRTECHFIY-UHFFFAOYSA-N -1 0 296.308 2.255 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)[O-])C1 ZINC000794401306 648862571 /nfs/dbraw/zinc/86/25/71/648862571.db2.gz CFXURJUKFHLXQB-JTQLQIEISA-N -1 0 292.291 2.098 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)[O-])CC1 ZINC000794401684 648862630 /nfs/dbraw/zinc/86/26/30/648862630.db2.gz QQAOEIWMGLGUDU-UHFFFAOYSA-N -1 0 292.291 2.098 20 5 CEBDRM CSc1nc(OC2CCCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624911 805960227 /nfs/dbraw/zinc/96/02/27/805960227.db2.gz IOEDICBSDJEVGJ-UHFFFAOYSA-N -1 0 271.298 2.134 20 5 CEBDRM CCC1(CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)COC1 ZINC001168331148 806661080 /nfs/dbraw/zinc/66/10/80/806661080.db2.gz UXYKSEDDGYSONY-UHFFFAOYSA-N -1 0 280.280 2.132 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000128503217 806768595 /nfs/dbraw/zinc/76/85/95/806768595.db2.gz JNUDQWADLJXPOJ-IUCAKERBSA-N -1 0 252.270 2.424 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000722652080 802454753 /nfs/dbraw/zinc/45/47/53/802454753.db2.gz FBYZRAIEIGWXNH-NXEZZACHSA-N -1 0 264.281 2.142 20 5 CEBDRM O=c1cc(Nc2ccc(O)c([N+](=O)[O-])c2)nc(Cl)[n-]1 ZINC001210393713 802679460 /nfs/dbraw/zinc/67/94/60/802679460.db2.gz HIVJVYDLCQRNFG-UHFFFAOYSA-N -1 0 282.643 2.193 20 5 CEBDRM Nc1cccc(O)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210398176 802679490 /nfs/dbraw/zinc/67/94/90/802679490.db2.gz UFEGJGNZIQLERU-UHFFFAOYSA-N -1 0 261.237 2.332 20 5 CEBDRM O=C1[N-]OC[C@H]1Nc1nc2ccccc2c2ccccc21 ZINC001167522429 803097493 /nfs/dbraw/zinc/09/74/93/803097493.db2.gz BLCYGMKGDDXNGB-CQSZACIVSA-N -1 0 279.299 2.230 20 5 CEBDRM CS[C@@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000133608734 813088448 /nfs/dbraw/zinc/08/84/48/813088448.db2.gz KPCIFUQQTPWXHO-ZETCQYMHSA-N -1 0 270.310 2.456 20 5 CEBDRM Nc1cccc2ncn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c21 ZINC001174504467 816030110 /nfs/dbraw/zinc/03/01/10/816030110.db2.gz OUINFBSJCYWXPC-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM Cc1ncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)n1 ZINC001176672697 816452144 /nfs/dbraw/zinc/45/21/44/816452144.db2.gz NRYPNYJHDFKCMB-UHFFFAOYSA-N -1 0 288.263 2.443 20 5 CEBDRM O=C([O-])c1cc(Nc2ccc(Cl)nn2)cc([N+](=O)[O-])c1 ZINC001176671808 816452600 /nfs/dbraw/zinc/45/26/00/816452600.db2.gz DHUVXMZFUSQIJQ-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM CCc1nccnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176672307 816452924 /nfs/dbraw/zinc/45/29/24/816452924.db2.gz JHQWWUZKDLJREE-UHFFFAOYSA-N -1 0 288.263 2.389 20 5 CEBDRM O=C([O-])c1cc(Nc2ncncc2Cl)cc([N+](=O)[O-])c1 ZINC001176673592 816454001 /nfs/dbraw/zinc/45/40/01/816454001.db2.gz WZIBXBOCOIDJLT-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567616550 299067017 /nfs/dbraw/zinc/06/70/17/299067017.db2.gz DEMCEWLECLVXPU-JGPRNRPPSA-N -1 0 276.292 2.432 20 5 CEBDRM CSC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000601692373 346880534 /nfs/dbraw/zinc/88/05/34/346880534.db2.gz XXEUBHQLJGDOCF-UHFFFAOYSA-N -1 0 296.348 2.268 20 5 CEBDRM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000601776079 346895270 /nfs/dbraw/zinc/89/52/70/346895270.db2.gz POYDWZQWSQAWLO-HZMBPMFUSA-N -1 0 276.292 2.363 20 5 CEBDRM CC[C@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cn2)[n-]1 ZINC000601933979 346930699 /nfs/dbraw/zinc/93/06/99/346930699.db2.gz VWEHTMWYIWDMPF-QMMMGPOBSA-N -1 0 262.269 2.129 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1)CCSC2 ZINC000601935827 346931693 /nfs/dbraw/zinc/93/16/93/346931693.db2.gz ZMZYQWMRBDDGPW-JTQLQIEISA-N -1 0 277.305 2.051 20 5 CEBDRM O=C(/C=C/c1cncs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000493058510 290716612 /nfs/dbraw/zinc/71/66/12/290716612.db2.gz LSHIJCWNDZLCKX-DUXPYHPUSA-N -1 0 291.288 2.409 20 5 CEBDRM C[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000125655969 344319984 /nfs/dbraw/zinc/31/99/84/344319984.db2.gz CBXUEOKBMCAKPL-ZETCQYMHSA-N -1 0 265.269 2.146 20 5 CEBDRM CC1(C)C[C@@H]1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000232979496 344580414 /nfs/dbraw/zinc/58/04/14/344580414.db2.gz FSOOHSUVZVADDS-MRVPVSSYSA-N -1 0 265.269 2.146 20 5 CEBDRM CC(=O)c1ccc(NCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000591326866 345241270 /nfs/dbraw/zinc/24/12/70/345241270.db2.gz BYNRJLHIBHNKBV-UHFFFAOYSA-N -1 0 280.280 2.464 20 5 CEBDRM CCN(CCSC)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000592919219 345414647 /nfs/dbraw/zinc/41/46/47/345414647.db2.gz WEADTNUQPXROHY-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM Cc1cc(N[C@@H]2CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972121 345417089 /nfs/dbraw/zinc/41/70/89/345417089.db2.gz SUSRBOACSUSBMO-SECBINFHSA-N -1 0 280.280 2.192 20 5 CEBDRM CO[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])CC(C)C ZINC000592978168 345417888 /nfs/dbraw/zinc/41/78/88/345417888.db2.gz TZLKGGXACBLXEG-VIFPVBQESA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@H]1CCC[C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000594737173 345681647 /nfs/dbraw/zinc/68/16/47/345681647.db2.gz XZFJGJBDKFOMJL-WCBMZHEXSA-N -1 0 295.295 2.058 20 5 CEBDRM CC(C)(F)CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000595246335 345747919 /nfs/dbraw/zinc/74/79/19/345747919.db2.gz ZPITZNGRORPQFQ-UHFFFAOYSA-N -1 0 298.270 2.161 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163986027 232262000 /nfs/dbraw/zinc/26/20/00/232262000.db2.gz FHDUKNGFMHPURG-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000595969485 345919071 /nfs/dbraw/zinc/91/90/71/345919071.db2.gz QOYDYNIDBALJCI-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000597491014 346193137 /nfs/dbraw/zinc/19/31/37/346193137.db2.gz CXLYYSBFAXDYJJ-TVQRCGJNSA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1C[C@@H]2CCCC[C@@H]21 ZINC000597828007 346236688 /nfs/dbraw/zinc/23/66/88/346236688.db2.gz HQNZXWVIFVKECW-ZANVPECISA-N -1 0 276.292 2.315 20 5 CEBDRM C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000061836404 362691591 /nfs/dbraw/zinc/69/15/91/362691591.db2.gz YXYVIHJEGCYZRU-JTQLQIEISA-N -1 0 294.307 2.054 20 5 CEBDRM O=C(NCC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000598783585 346419477 /nfs/dbraw/zinc/41/94/77/346419477.db2.gz POSJICJPRNQIGF-ZETCQYMHSA-N -1 0 286.234 2.076 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000062926463 362734970 /nfs/dbraw/zinc/73/49/70/362734970.db2.gz NELPLLPXALVDLX-GFCCVEGCSA-N -1 0 268.244 2.035 20 5 CEBDRM CCC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)OCC ZINC000600175615 346615329 /nfs/dbraw/zinc/61/53/29/346615329.db2.gz RZSCTLSEJKWJQV-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@@H]2C[C@@H]2C1 ZINC000600218626 346625983 /nfs/dbraw/zinc/62/59/83/346625983.db2.gz JBVNQCFGNRSVTQ-KNVOCYPGSA-N -1 0 282.683 2.046 20 5 CEBDRM CCC(F)(F)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600379622 346636616 /nfs/dbraw/zinc/63/66/16/346636616.db2.gz HXHXWMLFEBYFDA-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000356299223 370648431 /nfs/dbraw/zinc/64/84/31/370648431.db2.gz SZQKEROANJUHES-YFKPBYRVSA-N -1 0 278.186 2.437 20 5 CEBDRM CC[C@@H](C)C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336812735 365852099 /nfs/dbraw/zinc/85/20/99/365852099.db2.gz SEXMHXBCYCVAJX-MRVPVSSYSA-N -1 0 290.316 2.058 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000128431554 187370280 /nfs/dbraw/zinc/37/02/80/187370280.db2.gz LNWNDXUURPYBDK-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cn1)CCCCC2 ZINC000603921530 347397984 /nfs/dbraw/zinc/39/79/84/347397984.db2.gz UIEXVISLTQPVBE-JTQLQIEISA-N -1 0 274.280 2.273 20 5 CEBDRM COc1cc(CSc2n[n-]c(=N)s2)ccc1[N+](=O)[O-] ZINC000351828994 219217959 /nfs/dbraw/zinc/21/79/59/219217959.db2.gz KVSCDJPCTDMVMM-UHFFFAOYSA-N -1 0 298.349 2.160 20 5 CEBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)[nH]1 ZINC000611294716 347764351 /nfs/dbraw/zinc/76/43/51/347764351.db2.gz ZMKBLKJWZKNWJA-UHFFFAOYSA-N -1 0 275.264 2.498 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC12CCC2 ZINC000611294649 347764408 /nfs/dbraw/zinc/76/44/08/347764408.db2.gz MJXFFJFNZQWGSG-VIFPVBQESA-N -1 0 262.265 2.429 20 5 CEBDRM O=C(NC[C@@H]1Cc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555218 347794084 /nfs/dbraw/zinc/79/40/84/347794084.db2.gz RWBXOQNSLFYRIP-LBPRGKRZSA-N -1 0 298.298 2.370 20 5 CEBDRM O=C([O-])c1cc(/C=C\c2ccc([N+](=O)[O-])cc2F)ncn1 ZINC000611491962 347785079 /nfs/dbraw/zinc/78/50/79/347785079.db2.gz KHDRCLAPWYUASR-IWQZZHSRSA-N -1 0 289.222 2.393 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H]1F ZINC000611506804 347787722 /nfs/dbraw/zinc/78/77/22/347787722.db2.gz ROKCDUGFFUBVTH-WPRPVWTQSA-N -1 0 282.271 2.121 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cc(C3CC3)n(C)n2)n1 ZINC000357621705 233110888 /nfs/dbraw/zinc/11/08/88/233110888.db2.gz BLZYCWXXVWQXIU-UHFFFAOYSA-N -1 0 287.323 2.383 20 5 CEBDRM COC(=O)Cn1ncc([N-]c2sccc2[N+](=O)[O-])c1C ZINC000619502573 349189603 /nfs/dbraw/zinc/18/96/03/349189603.db2.gz BWMNBUWFDARJPK-UHFFFAOYSA-N -1 0 296.308 2.078 20 5 CEBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000108655509 186225674 /nfs/dbraw/zinc/22/56/74/186225674.db2.gz WZQKDSXKQVPBSE-ZJUUUORDSA-N -1 0 292.291 2.424 20 5 CEBDRM CN(Cc1nccs1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000074831556 363401521 /nfs/dbraw/zinc/40/15/21/363401521.db2.gz LMYLJQFWDUYNRN-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM O=C(COc1ccc([N+](=O)[O-])c(F)c1)[N-]OC1CCCC1 ZINC000271807841 191339928 /nfs/dbraw/zinc/33/99/28/191339928.db2.gz TZNZOKUMQRDFSV-UHFFFAOYSA-N -1 0 298.270 2.103 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000577377242 314370016 /nfs/dbraw/zinc/37/00/16/314370016.db2.gz GCAPOVCWQRZUFM-VIFPVBQESA-N -1 0 282.321 2.139 20 5 CEBDRM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038026165 304082843 /nfs/dbraw/zinc/08/28/43/304082843.db2.gz COULBSYYDXGOHJ-GFCCVEGCSA-N -1 0 292.291 2.064 20 5 CEBDRM CCCn1nccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356340163 370666764 /nfs/dbraw/zinc/66/67/64/370666764.db2.gz MRKPLHMUMAFZOS-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM CC[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCCO1 ZINC000339155981 366680285 /nfs/dbraw/zinc/68/02/85/366680285.db2.gz DZKTVCXEAPBPDT-ZDUSSCGKSA-N -1 0 280.324 2.301 20 5 CEBDRM O=C(N[C@@H]1CC=CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180039672 189234571 /nfs/dbraw/zinc/23/45/71/189234571.db2.gz FGRLXJYCYOCBCW-SNVBAGLBSA-N -1 0 262.265 2.139 20 5 CEBDRM CCC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000581610302 366801352 /nfs/dbraw/zinc/80/13/52/366801352.db2.gz IMMDCJCGEMEWDK-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000087489831 363858117 /nfs/dbraw/zinc/85/81/17/363858117.db2.gz OEKYBLSYJFIXKW-LLVKDONJSA-N -1 0 294.307 2.134 20 5 CEBDRM CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000087507135 363858154 /nfs/dbraw/zinc/85/81/54/363858154.db2.gz LXJGXWMWLWRMRM-NSHDSACASA-N -1 0 252.270 2.364 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C(=O)[O-])C(C)C ZINC000087507147 363858267 /nfs/dbraw/zinc/85/82/67/363858267.db2.gz LADZOWKHKIKTRI-SNVBAGLBSA-N -1 0 267.285 2.067 20 5 CEBDRM C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546136 364080854 /nfs/dbraw/zinc/08/08/54/364080854.db2.gz MJAARZQBLDPNQZ-GZMMTYOYSA-N -1 0 292.291 2.244 20 5 CEBDRM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000094240134 364262471 /nfs/dbraw/zinc/26/24/71/364262471.db2.gz VUWNMJJEDGGXDB-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM C/C=C\C[C@H](CO)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000572163809 299349483 /nfs/dbraw/zinc/34/94/83/299349483.db2.gz BFHYVRYFEKJEMV-UMBAGQNISA-N -1 0 294.307 2.340 20 5 CEBDRM Cc1ncc(CNc2ccc([N+](=O)[O-])cc2F)c(=O)[nH]1 ZINC000343598658 367908687 /nfs/dbraw/zinc/90/86/87/367908687.db2.gz OCXXGDJFEVLWNY-UHFFFAOYSA-N -1 0 278.243 2.150 20 5 CEBDRM CN(CCC1CC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182142324 368529465 /nfs/dbraw/zinc/52/94/65/368529465.db2.gz AUDUHEXUXNUNEL-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(NC1Cc2ccccc2C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000183592813 368633705 /nfs/dbraw/zinc/63/37/05/368633705.db2.gz XBPHDPMOHMGHRB-UHFFFAOYSA-N -1 0 298.298 2.198 20 5 CEBDRM O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184576251 368704153 /nfs/dbraw/zinc/70/41/53/368704153.db2.gz VGATXZLJEBQRSX-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM Cc1nc(C)c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000186014452 368905469 /nfs/dbraw/zinc/90/54/69/368905469.db2.gz XOGQDZSUMQCIQF-UHFFFAOYSA-N -1 0 277.236 2.158 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)CCC(=O)[O-] ZINC000188593056 369379390 /nfs/dbraw/zinc/37/93/90/369379390.db2.gz DXGMWPZHWDZOED-UHFFFAOYSA-N -1 0 266.253 2.015 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCCOC3)no2)cc1[O-] ZINC000350859033 369579138 /nfs/dbraw/zinc/57/91/38/369579138.db2.gz SWMWIFJQYUHCFZ-SECBINFHSA-N -1 0 291.263 2.244 20 5 CEBDRM CO[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000354331354 370319259 /nfs/dbraw/zinc/31/92/59/370319259.db2.gz LUUFEFQOYDCTHW-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(NCC1CCSCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000225806982 370319805 /nfs/dbraw/zinc/31/98/05/370319805.db2.gz FQLWMAWCRNTKRN-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM CCOC[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000233805557 370524751 /nfs/dbraw/zinc/52/47/51/370524751.db2.gz LRKWGEFPEDAOBJ-GFCCVEGCSA-N -1 0 296.323 2.091 20 5 CEBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CC1(C)C ZINC000331985987 204363474 /nfs/dbraw/zinc/36/34/74/204363474.db2.gz PKYIDHGZRFBCJZ-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(C)CCOCCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272589133 373563957 /nfs/dbraw/zinc/56/39/57/373563957.db2.gz VKSOBMIPFNSZJK-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272680144 373612305 /nfs/dbraw/zinc/61/23/05/373612305.db2.gz NFLBJIBSCYKZRX-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCOC1 ZINC000272871439 373687399 /nfs/dbraw/zinc/68/73/99/373687399.db2.gz WSSVLYYOKTUXQU-ZDUSSCGKSA-N -1 0 280.280 2.056 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1[O-] ZINC000276715087 374276484 /nfs/dbraw/zinc/27/64/84/374276484.db2.gz YKUDZCJJOUNVQF-SECBINFHSA-N -1 0 291.263 2.072 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)C2)n1 ZINC000573805793 299458116 /nfs/dbraw/zinc/45/81/16/299458116.db2.gz PIGLQGRYVKRKFP-YUMQZZPRSA-N -1 0 279.296 2.089 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC[C@@H](C2CC2)C1 ZINC000376120397 374695875 /nfs/dbraw/zinc/69/58/75/374695875.db2.gz YGNIFNYIKJQLMQ-SNVBAGLBSA-N -1 0 276.292 2.173 20 5 CEBDRM CC1(C)CC[C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000573971783 299466003 /nfs/dbraw/zinc/46/60/03/299466003.db2.gz WPFWHKPEVWAKMQ-MRVPVSSYSA-N -1 0 295.295 2.058 20 5 CEBDRM Cc1cc(N[C@H](CCO)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563205191 377125337 /nfs/dbraw/zinc/12/53/37/377125337.db2.gz LGZRWUDNOVRQKF-GFCCVEGCSA-N -1 0 296.323 2.420 20 5 CEBDRM C[C@@H](C[C@H]1CCCO1)Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000563208027 377126618 /nfs/dbraw/zinc/12/66/18/377126618.db2.gz UGQXEUBNVRZENJ-DTWKUNHWSA-N -1 0 295.295 2.058 20 5 CEBDRM CO[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000330458981 377143254 /nfs/dbraw/zinc/14/32/54/377143254.db2.gz SMFYAQQJFFBKKA-IINYFYTJSA-N -1 0 280.324 2.157 20 5 CEBDRM CC[C@@H](C)CO[N-]C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000293616995 377659317 /nfs/dbraw/zinc/65/93/17/377659317.db2.gz DLYUBMBCSUBYAL-SNVBAGLBSA-N -1 0 281.312 2.101 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC(C2CCC2)C1 ZINC000436865731 377834425 /nfs/dbraw/zinc/83/44/25/377834425.db2.gz TXXNGFPOVIKIRO-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(CF)CC1 ZINC000295704511 378271667 /nfs/dbraw/zinc/27/16/67/378271667.db2.gz JHFNZLASKFQSGZ-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM CC(C)O[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000295725967 378279258 /nfs/dbraw/zinc/27/92/58/378279258.db2.gz RAJZSEIXRSHZFA-UHFFFAOYSA-N -1 0 284.287 2.468 20 5 CEBDRM Cc1cc(C)c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000346897734 218052127 /nfs/dbraw/zinc/05/21/27/218052127.db2.gz ZWKXGNXPVMOGOX-UHFFFAOYSA-N -1 0 275.264 2.498 20 5 CEBDRM C[C@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])cn2)cn1 ZINC000302429665 379373230 /nfs/dbraw/zinc/37/32/30/379373230.db2.gz OJWHPSVWVCJMGY-MRVPVSSYSA-N -1 0 274.284 2.296 20 5 CEBDRM O=C(NCCc1ccccc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000347718776 218333675 /nfs/dbraw/zinc/33/36/75/218333675.db2.gz ZVDBRAKYPSOESZ-UHFFFAOYSA-N -1 0 286.287 2.273 20 5 CEBDRM CC(C)C[C@@H]1C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458001707 379979129 /nfs/dbraw/zinc/97/91/29/379979129.db2.gz IJPULIOYGBHREF-MWLCHTKSSA-N -1 0 278.308 2.465 20 5 CEBDRM C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157435231 296309893 /nfs/dbraw/zinc/30/98/93/296309893.db2.gz RGGBHSMNZXEBDY-SECBINFHSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@]1(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCO1 ZINC000094803943 184869403 /nfs/dbraw/zinc/86/94/03/184869403.db2.gz RCMHVHIZGWAEHG-ZDUSSCGKSA-N -1 0 280.280 2.274 20 5 CEBDRM CC1(C)C[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000216057000 394450536 /nfs/dbraw/zinc/45/05/36/394450536.db2.gz RCCUYGPYKQJZNC-SECBINFHSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1 ZINC000218965585 394458325 /nfs/dbraw/zinc/45/83/25/394458325.db2.gz OPRCQTJLTUGOES-QMMMGPOBSA-N -1 0 264.281 2.076 20 5 CEBDRM CC1=C[C@H](C)CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000355624522 394479954 /nfs/dbraw/zinc/47/99/54/394479954.db2.gz FLHWTNJFHANIPU-VIFPVBQESA-N -1 0 276.292 2.339 20 5 CEBDRM C[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436564573 395128237 /nfs/dbraw/zinc/12/82/37/395128237.db2.gz PZRGDAYIXKTSBF-ZJUUUORDSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436564571 395128266 /nfs/dbraw/zinc/12/82/66/395128266.db2.gz PZRGDAYIXKTSBF-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM CCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436875593 395160116 /nfs/dbraw/zinc/16/01/16/395160116.db2.gz YNQGBVVBERTXGX-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436909835 395162933 /nfs/dbraw/zinc/16/29/33/395162933.db2.gz BAXUJZJCIZAUMY-VHSXEESVSA-N -1 0 278.308 2.466 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=NC3CC(F)(F)C3)[n-]2)cc1 ZINC000428668893 395153079 /nfs/dbraw/zinc/15/30/79/395153079.db2.gz UJRMRZLHRBIDAP-UHFFFAOYSA-N -1 0 296.233 2.276 20 5 CEBDRM CC1(C)C[C@H]1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963123 395168286 /nfs/dbraw/zinc/16/82/86/395168286.db2.gz DIEGZRRHVDGNSX-VIFPVBQESA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436971980 395169830 /nfs/dbraw/zinc/16/98/30/395169830.db2.gz MBKFPHVBNLROFC-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397990684 395231423 /nfs/dbraw/zinc/23/14/23/395231423.db2.gz WUBUGKJNRJHDLZ-XVKPBYJWSA-N -1 0 282.321 2.456 20 5 CEBDRM O=C(NCc1cccs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194739620 395447213 /nfs/dbraw/zinc/44/72/13/395447213.db2.gz AABKKOIOXNKYTJ-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM CO[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C)(C)C ZINC000565778413 395483942 /nfs/dbraw/zinc/48/39/42/395483942.db2.gz YPMJICJAHDBUOQ-SECBINFHSA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000189795207 153109425 /nfs/dbraw/zinc/10/94/25/153109425.db2.gz AKFZUWUAERZSFF-SCZZXKLOSA-N -1 0 280.280 2.054 20 5 CEBDRM C[C@H]1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316718 153296289 /nfs/dbraw/zinc/29/62/89/153296289.db2.gz UBQLEBUVKZMCFB-DTWKUNHWSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(Cc1cscn1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000234299247 153424737 /nfs/dbraw/zinc/42/47/37/153424737.db2.gz YJWJHSKYGKHKDS-UHFFFAOYSA-N -1 0 293.304 2.029 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000263287826 154049191 /nfs/dbraw/zinc/04/91/91/154049191.db2.gz YGOZWRMXJRVKAC-GFCCVEGCSA-N -1 0 294.307 2.051 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCC(=O)[O-] ZINC000263295756 154052152 /nfs/dbraw/zinc/05/21/52/154052152.db2.gz ZMCRBRUHCUUCBZ-UHFFFAOYSA-N -1 0 294.307 2.148 20 5 CEBDRM C[C@H](CN(C)c1nccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000263556642 154124754 /nfs/dbraw/zinc/12/47/54/154124754.db2.gz OSAAMBFSGUCTKJ-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM C[C@@H]1CSCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000191575814 297177852 /nfs/dbraw/zinc/17/78/52/297177852.db2.gz OWBFLKYMJBDDML-VIFPVBQESA-N -1 0 296.348 2.126 20 5 CEBDRM Cc1nc([N-]S(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000180758192 165319798 /nfs/dbraw/zinc/31/97/98/165319798.db2.gz KVJNFLPNMNSHHA-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(CCc1ccoc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180771395 165322672 /nfs/dbraw/zinc/32/26/72/165322672.db2.gz KMCMAUNUJKLRMJ-UHFFFAOYSA-N -1 0 276.248 2.465 20 5 CEBDRM Cc1c(C(=O)N[C@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000019393543 170782036 /nfs/dbraw/zinc/78/20/36/170782036.db2.gz KIOCDJOXOJWLLZ-LLVKDONJSA-N -1 0 294.307 2.132 20 5 CEBDRM O=C([O-])c1ccc(CCNc2ncccc2[N+](=O)[O-])cc1 ZINC000035019696 171938322 /nfs/dbraw/zinc/93/83/22/171938322.db2.gz DTAZDAFMOPUDHM-UHFFFAOYSA-N -1 0 287.275 2.343 20 5 CEBDRM COCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000285557724 196325657 /nfs/dbraw/zinc/32/56/57/196325657.db2.gz IZKHHWRKIYKREP-UHFFFAOYSA-N -1 0 280.280 2.056 20 5 CEBDRM CCCN(CC(=O)[O-])c1ccc([N+](=O)[O-])c2cccnc21 ZINC000038021162 174000201 /nfs/dbraw/zinc/00/02/01/174000201.db2.gz XXTVOMYHOQZZOS-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000043570409 175067795 /nfs/dbraw/zinc/06/77/95/175067795.db2.gz CWHUODMBPINEHP-MRVPVSSYSA-N -1 0 298.270 2.059 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000044747677 175243309 /nfs/dbraw/zinc/24/33/09/175243309.db2.gz UQQCSCOTCKXAKD-UHFFFAOYSA-N -1 0 292.291 2.030 20 5 CEBDRM Cc1nn(C)c(Nc2ccc(C(=O)[O-])c(C)c2)c1[N+](=O)[O-] ZINC000044750237 175244836 /nfs/dbraw/zinc/24/48/36/175244836.db2.gz BFLXIFPSPYTEIZ-UHFFFAOYSA-N -1 0 290.279 2.387 20 5 CEBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccn1 ZINC000070890154 176010457 /nfs/dbraw/zinc/01/04/57/176010457.db2.gz WONMXUROTQUAII-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280755382 299831588 /nfs/dbraw/zinc/83/15/88/299831588.db2.gz LLADVUGMGLELQL-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)n1nccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184606030 262288314 /nfs/dbraw/zinc/28/83/14/262288314.db2.gz HRBZBJYLLZSCHD-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM Cc1cnccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185585041 262306311 /nfs/dbraw/zinc/30/63/11/262306311.db2.gz PMELGDRYLMANAA-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM C[C@@H]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000230688177 270313737 /nfs/dbraw/zinc/31/37/37/270313737.db2.gz ZFOHULKGXJOVSX-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)(F)F ZINC000436955063 271696851 /nfs/dbraw/zinc/69/68/51/271696851.db2.gz CTKZMXJVGHOFBZ-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccon2)cc1[N+](=O)[O-] ZINC000191909742 280177625 /nfs/dbraw/zinc/17/76/25/280177625.db2.gz INQYRSSFYVKENR-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262891769 280507235 /nfs/dbraw/zinc/50/72/35/280507235.db2.gz HMIMWEZGEVOZMB-AWEZNQCLSA-N -1 0 294.307 2.214 20 5 CEBDRM C[C@@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397990681 280689118 /nfs/dbraw/zinc/68/91/18/280689118.db2.gz WUBUGKJNRJHDLZ-GMSGAONNSA-N -1 0 282.321 2.456 20 5 CEBDRM O=[N+]([O-])c1c[n-]c(=NC[C@@H]2C[C@H]2C2CCC2)s1 ZINC000425284377 281185378 /nfs/dbraw/zinc/18/53/78/281185378.db2.gz QQJPDVLELWUBHZ-IUCAKERBSA-N -1 0 253.327 2.321 20 5 CEBDRM C[C@H]1CCSCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000190027903 300026655 /nfs/dbraw/zinc/02/66/55/300026655.db2.gz YBDVMBDPVIFTRO-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM Cc1cc(NC[C@H]2CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516774437 313094106 /nfs/dbraw/zinc/09/41/06/313094106.db2.gz RCMWXWHCFKCWIF-SNVBAGLBSA-N -1 0 294.307 2.440 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000521875302 313133903 /nfs/dbraw/zinc/13/39/03/313133903.db2.gz YCGROZIOLZXWPL-MWLCHTKSSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1ccc(NC(=O)C2(C(=O)[O-])CCCC2)cc1[N+](=O)[O-] ZINC000563199684 313720567 /nfs/dbraw/zinc/72/05/67/313720567.db2.gz LWCDQFANFVBJDY-UHFFFAOYSA-N -1 0 292.291 2.487 20 5 CEBDRM Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563209568 313723349 /nfs/dbraw/zinc/72/33/49/313723349.db2.gz KRRUQLZHQKUNEJ-NWDGAFQWSA-N -1 0 294.307 2.173 20 5 CEBDRM C[C@@H]1CC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000566975416 313878821 /nfs/dbraw/zinc/87/88/21/313878821.db2.gz CMPYMGREIRXMRD-PSASIEDQSA-N -1 0 264.281 2.432 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H](C)C(C)C)n1 ZINC000570335921 314034211 /nfs/dbraw/zinc/03/42/11/314034211.db2.gz PHSRTVRDAWEFCG-MRVPVSSYSA-N -1 0 281.312 2.122 20 5 CEBDRM CC[C@@H](C)[C@H](O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000572043066 314118505 /nfs/dbraw/zinc/11/85/05/314118505.db2.gz GTTBZQSRRJYUIV-NOZJJQNGSA-N -1 0 296.323 2.041 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H](C)C[C@H]2C)n1 ZINC000576994091 314330603 /nfs/dbraw/zinc/33/06/03/314330603.db2.gz JISYYKXKGCUDGP-IONNQARKSA-N -1 0 279.296 2.231 20 5 CEBDRM Cc1cc(NCCC[C@@H](C)CO)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577518281 314387047 /nfs/dbraw/zinc/38/70/47/314387047.db2.gz SRQZAXSQSHREPR-SECBINFHSA-N -1 0 296.323 2.422 20 5 CEBDRM O=C([O-])c1ccnc(N2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000380433827 321830076 /nfs/dbraw/zinc/83/00/76/321830076.db2.gz YPAHOEYFTLXCSR-UHFFFAOYSA-N -1 0 277.280 2.068 20 5 CEBDRM C[C@@H](CC(C)(C)O)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000384734156 321853963 /nfs/dbraw/zinc/85/39/63/321853963.db2.gz BTPAWTHOELKPKP-QMMMGPOBSA-N -1 0 282.296 2.254 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCSCC2)c1 ZINC000211980753 326867020 /nfs/dbraw/zinc/86/70/20/326867020.db2.gz WNZGXBMNOPPJCK-UHFFFAOYSA-N -1 0 282.321 2.236 20 5 CEBDRM CC[C@@H](Nc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(=O)[O-] ZINC000562780389 327514212 /nfs/dbraw/zinc/51/42/12/327514212.db2.gz RHPMSJVYTFTDIY-SNVBAGLBSA-N -1 0 266.253 2.073 20 5 CEBDRM CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000395449009 329291293 /nfs/dbraw/zinc/29/12/93/329291293.db2.gz HJCOZJBHXIBTAQ-UHFFFAOYSA-N -1 0 279.296 2.313 20 5 CEBDRM O=C(NCc1cccc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164149480 534671323 /nfs/dbraw/zinc/67/13/23/534671323.db2.gz KBLUDBBXQJEYSS-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM CC[C@H](C)CN(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237111940 536120929 /nfs/dbraw/zinc/12/09/29/536120929.db2.gz ACKIUGOKLIXCOD-VIFPVBQESA-N -1 0 294.307 2.411 20 5 CEBDRM C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000737704926 574452696 /nfs/dbraw/zinc/45/26/96/574452696.db2.gz OFEOWCKDYPCHDZ-SFYZADRCSA-N -1 0 299.304 2.092 20 5 CEBDRM CN(C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)C(=O)[O-] ZINC000739662637 574500730 /nfs/dbraw/zinc/50/07/30/574500730.db2.gz BWNUOTQVVPXBTJ-VIFPVBQESA-N -1 0 297.286 2.170 20 5 CEBDRM Cc1cc(C(=O)OCCCCC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738218760 574509073 /nfs/dbraw/zinc/50/90/73/574509073.db2.gz WGUHAAWXKMOSQS-UHFFFAOYSA-N -1 0 281.264 2.315 20 5 CEBDRM CCc1nc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)cs1 ZINC000730707159 574525932 /nfs/dbraw/zinc/52/59/32/574525932.db2.gz RUKWGJJSCABLOT-UHFFFAOYSA-N -1 0 281.293 2.299 20 5 CEBDRM Cc1occc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000733700488 574684628 /nfs/dbraw/zinc/68/46/28/574684628.db2.gz ARWSGQIKOXRALB-UHFFFAOYSA-N -1 0 250.210 2.181 20 5 CEBDRM C[C@H](CO)CSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736606222 574793285 /nfs/dbraw/zinc/79/32/85/574793285.db2.gz BFMICOJVWOVGTQ-AZVKUDOFSA-N -1 0 297.332 2.413 20 5 CEBDRM CC(C)OC(=O)C[C@H](NC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000738862347 574813866 /nfs/dbraw/zinc/81/38/66/574813866.db2.gz MOXSTOPEQPPXGC-JTQLQIEISA-N -1 0 296.279 2.245 20 5 CEBDRM C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H](C)N1C(=O)[O-] ZINC000739190481 574898662 /nfs/dbraw/zinc/89/86/62/574898662.db2.gz NLJIMXVXSNUTLI-PHIMTYICSA-N -1 0 293.323 2.167 20 5 CEBDRM C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739198179 574899190 /nfs/dbraw/zinc/89/91/90/574899190.db2.gz LCOOTMZOFGSTLT-SFYZADRCSA-N -1 0 285.325 2.139 20 5 CEBDRM CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739239594 574902250 /nfs/dbraw/zinc/90/22/50/574902250.db2.gz SDBJZEAOJCSZIB-KCJUWKMLSA-N -1 0 295.295 2.216 20 5 CEBDRM CN(C(=O)[O-])C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000739593921 574928360 /nfs/dbraw/zinc/92/83/60/574928360.db2.gz PMOBRDBKIRFPBV-UHFFFAOYSA-N -1 0 297.286 2.313 20 5 CEBDRM CN(CC1CCN(c2ccc([N+](=O)[O-])s2)CC1)C(=O)[O-] ZINC000739664486 574930274 /nfs/dbraw/zinc/93/02/74/574930274.db2.gz QYJLLLAXMWHHKC-UHFFFAOYSA-N -1 0 299.352 2.483 20 5 CEBDRM O=C([O-])CCSCCNc1ccc([N+](=O)[O-])cc1 ZINC000739751567 574932706 /nfs/dbraw/zinc/93/27/06/574932706.db2.gz FIYOINBXEQJBJN-UHFFFAOYSA-N -1 0 270.310 2.215 20 5 CEBDRM O=C([O-])c1coc(COC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000740270365 574950821 /nfs/dbraw/zinc/95/08/21/574950821.db2.gz LZBIPHWLWKXEJQ-UHFFFAOYSA-N -1 0 297.244 2.305 20 5 CEBDRM O=C([O-])C=Cc1ccc(NCc2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000746335472 575154937 /nfs/dbraw/zinc/15/49/37/575154937.db2.gz OYCAXNLZFNRWRG-DUXPYHPUSA-N -1 0 288.263 2.028 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000821524099 597823944 /nfs/dbraw/zinc/82/39/44/597823944.db2.gz WTBNMWJVIFQCMZ-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM C[C@H](CC(=O)[O-])Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090098852 600624936 /nfs/dbraw/zinc/62/49/36/600624936.db2.gz UFCQPWKKBCEPRV-ZCFIWIBFSA-N -1 0 286.265 2.458 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(CCC2CCCCC2)c1 ZINC000833306924 600838261 /nfs/dbraw/zinc/83/82/61/600838261.db2.gz GUWXLJRVXWJKDX-UHFFFAOYSA-N -1 0 294.307 2.425 20 5 CEBDRM CCc1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000767030676 601059235 /nfs/dbraw/zinc/05/92/35/601059235.db2.gz GPIOULRSLMHGSO-UHFFFAOYSA-N -1 0 294.307 2.140 20 5 CEBDRM O=C([O-])CSCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833263391 601308543 /nfs/dbraw/zinc/30/85/43/601308543.db2.gz NLRIIJCCERTVBF-UHFFFAOYSA-N -1 0 268.250 2.054 20 5 CEBDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000799243784 601468817 /nfs/dbraw/zinc/46/88/17/601468817.db2.gz NHBPGQWWJJQANE-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM C/C(=C/COC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000825780721 601474077 /nfs/dbraw/zinc/47/40/77/601474077.db2.gz HTMRFKBSWNBRDF-ALCCZGGFSA-N -1 0 299.666 2.436 20 5 CEBDRM CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000137495336 601681171 /nfs/dbraw/zinc/68/11/71/601681171.db2.gz DTTRAUCEMQJJLV-UHFFFAOYSA-N -1 0 256.233 2.257 20 5 CEBDRM C[C@@H](CC(=O)[O-])C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000827350548 602187333 /nfs/dbraw/zinc/18/73/33/602187333.db2.gz ZYVKISPRRSMIKF-LURJTMIESA-N -1 0 287.655 2.264 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)CC(=O)[O-] ZINC000832957753 602292612 /nfs/dbraw/zinc/29/26/12/602292612.db2.gz JFRKDFBTGCFUOR-QMMMGPOBSA-N -1 0 280.280 2.261 20 5 CEBDRM Cc1cc(NCc2ccon2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898206 602321929 /nfs/dbraw/zinc/32/19/29/602321929.db2.gz HEIYHGIVNGSDTG-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000832521645 603198260 /nfs/dbraw/zinc/19/82/60/603198260.db2.gz PGMBRTJOYWWBSC-ONGXEEELSA-N -1 0 294.311 2.228 20 5 CEBDRM CCCC[C@@H](CNC(=O)[O-])Nc1ccc([N+](=O)[O-])nc1 ZINC000826813937 603893424 /nfs/dbraw/zinc/89/34/24/603893424.db2.gz KOWPWQIRBILFJM-VIFPVBQESA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830531076 604225575 /nfs/dbraw/zinc/22/55/75/604225575.db2.gz BYPWMNHSJQQSIZ-JTQLQIEISA-N -1 0 279.296 2.092 20 5 CEBDRM CC(C)[C@H](CCN(C)c1cccnc1[N+](=O)[O-])NC(=O)[O-] ZINC000824105473 604227382 /nfs/dbraw/zinc/22/73/82/604227382.db2.gz WJLJRJRYNNHFCR-JTQLQIEISA-N -1 0 296.327 2.108 20 5 CEBDRM O=C([O-])N1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000832036787 604662902 /nfs/dbraw/zinc/66/29/02/604662902.db2.gz OLSQVIBYPOWKKF-UHFFFAOYSA-N -1 0 299.714 2.044 20 5 CEBDRM C/C(=C\CSc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000825793305 604792446 /nfs/dbraw/zinc/79/24/46/604792446.db2.gz QVMNEKVOLKIOBL-QPJJXVBHSA-N -1 0 254.267 2.113 20 5 CEBDRM C[C@]1(C(=O)[O-])CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000235700343 604949696 /nfs/dbraw/zinc/94/96/96/604949696.db2.gz FBKAJUCTCGRRCG-LBPRGKRZSA-N -1 0 286.234 2.174 20 5 CEBDRM CC(=O)c1ccc(OC/C=C(/C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000833401934 604991555 /nfs/dbraw/zinc/99/15/55/604991555.db2.gz ULHVBDYMTJYGCB-YVMONPNESA-N -1 0 279.248 2.207 20 5 CEBDRM CC[C@@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000833644842 605013538 /nfs/dbraw/zinc/01/35/38/605013538.db2.gz FDKMCXPSBGAPEF-LLVKDONJSA-N -1 0 292.247 2.096 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2cc([N+](=O)[O-])ccc2C)O1 ZINC000833577862 605235256 /nfs/dbraw/zinc/23/52/56/605235256.db2.gz IZIISJWSJCSQFV-NSHDSACASA-N -1 0 293.275 2.430 20 5 CEBDRM O=C([O-])NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000834220182 605950366 /nfs/dbraw/zinc/95/03/66/605950366.db2.gz NDKQMBDDOVWZFL-LBPRGKRZSA-N -1 0 279.296 2.221 20 5 CEBDRM C[C@@H]1CC=CC[C@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000890768279 622946729 /nfs/dbraw/zinc/94/67/29/622946729.db2.gz CZLKFKNBLADGDX-NOZJJQNGSA-N -1 0 276.292 2.385 20 5 CEBDRM CSCC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000890874423 623028772 /nfs/dbraw/zinc/02/87/72/623028772.db2.gz QGDBDXMVEYKVSP-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000263134875 624331733 /nfs/dbraw/zinc/33/17/33/624331733.db2.gz GFWORRWSMVXVSP-JGVFFNPUSA-N -1 0 299.714 2.190 20 5 CEBDRM O=C(OC[C@H]1CC12CCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000893466325 628637497 /nfs/dbraw/zinc/63/74/97/628637497.db2.gz CXCSAZUSGGAHRW-MRVPVSSYSA-N -1 0 250.254 2.270 20 5 CEBDRM Cc1cc(OCC(=O)[N-]OC2CCCC2)ccc1[N+](=O)[O-] ZINC000797638995 630456404 /nfs/dbraw/zinc/45/64/04/630456404.db2.gz BILUABAQKJDJCY-UHFFFAOYSA-N -1 0 294.307 2.272 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC=C(Cl)C1 ZINC000898196383 632110392 /nfs/dbraw/zinc/11/03/92/632110392.db2.gz LYECQVJBPYFPBW-UHFFFAOYSA-N -1 0 282.683 2.269 20 5 CEBDRM Cc1ccoc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000816103423 633118342 /nfs/dbraw/zinc/11/83/42/633118342.db2.gz ZGIVSUIYFGHWKN-UHFFFAOYSA-N -1 0 250.210 2.181 20 5 CEBDRM O=C(NCCC1CC=CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000831437454 637329827 /nfs/dbraw/zinc/32/98/27/637329827.db2.gz PBMNSHXTDVSQGQ-UHFFFAOYSA-N -1 0 276.292 2.387 20 5 CEBDRM COc1cc(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000910489079 638074435 /nfs/dbraw/zinc/07/44/35/638074435.db2.gz BGJJLAADAGGGGO-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM CSC[C@H](C)COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000835671911 638348108 /nfs/dbraw/zinc/34/81/08/638348108.db2.gz UNIBSWFRABMVGU-SSDOTTSWSA-N -1 0 258.299 2.079 20 5 CEBDRM C[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000837560314 639282584 /nfs/dbraw/zinc/28/25/84/639282584.db2.gz XSRZWLVHWJZXAQ-QMMMGPOBSA-N -1 0 265.265 2.390 20 5 CEBDRM COC[C@H](C)CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837577823 639291062 /nfs/dbraw/zinc/29/10/62/639291062.db2.gz RNFHLCHFPORLKF-SECBINFHSA-N -1 0 283.280 2.016 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1=CCCC1 ZINC000837576913 639291156 /nfs/dbraw/zinc/29/11/56/639291156.db2.gz YQFHSSWVXOXWDH-UHFFFAOYSA-N -1 0 263.249 2.454 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000226762248 639564506 /nfs/dbraw/zinc/56/45/06/639564506.db2.gz FWKPXECODQDOSS-NSHDSACASA-N -1 0 285.325 2.133 20 5 CEBDRM CC(C)C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000841490376 639776215 /nfs/dbraw/zinc/77/62/15/639776215.db2.gz QQGLNGMWWCXBKB-SECBINFHSA-N -1 0 292.295 2.154 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000062874922 639792243 /nfs/dbraw/zinc/79/22/43/639792243.db2.gz FRKRFUBZSVUKLE-ZDUSSCGKSA-N -1 0 279.296 2.071 20 5 CEBDRM CC(C)ONC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843899018 640552443 /nfs/dbraw/zinc/55/24/43/640552443.db2.gz MZTZGWWSOHCZAY-UHFFFAOYSA-N -1 0 274.660 2.024 20 5 CEBDRM CC[C@H](Sc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000844206766 640631747 /nfs/dbraw/zinc/63/17/47/640631747.db2.gz MCCYDFVXZZAYAD-ZETCQYMHSA-N -1 0 281.293 2.198 20 5 CEBDRM C[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000844212910 640633730 /nfs/dbraw/zinc/63/37/30/640633730.db2.gz PPCHNKPBUFHPLH-UWVGGRQHSA-N -1 0 278.308 2.457 20 5 CEBDRM CC(=O)c1ccc(N2CC[C@@H](C(=O)[O-])[C@H]2C)c([N+](=O)[O-])c1 ZINC000844217574 640634642 /nfs/dbraw/zinc/63/46/42/640634642.db2.gz GPRHJYOGQCCWTF-LDYMZIIASA-N -1 0 292.291 2.097 20 5 CEBDRM O=C(OCC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000851380620 643002477 /nfs/dbraw/zinc/00/24/77/643002477.db2.gz ZDCRLVIGGNULQJ-ZCFIWIBFSA-N -1 0 260.196 2.125 20 5 CEBDRM CC[C@H](C)CON=c1[n-]ccc(C(=O)OC)c1[N+](=O)[O-] ZINC000856760025 644712067 /nfs/dbraw/zinc/71/20/67/644712067.db2.gz FEEUQNLAZLATBB-QMMMGPOBSA-N -1 0 283.284 2.166 20 5 CEBDRM O=C(O[C@@H](C1CC1)C(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000761262935 645262075 /nfs/dbraw/zinc/26/20/75/645262075.db2.gz LRYDEKHHRDALDH-QMMMGPOBSA-N -1 0 278.186 2.421 20 5 CEBDRM CS[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000779668934 647338024 /nfs/dbraw/zinc/33/80/24/647338024.db2.gz CLEKODATKSMGJI-SCZZXKLOSA-N -1 0 296.348 2.314 20 5 CEBDRM CCOC(=O)[C@@H](CC)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000789473938 648307501 /nfs/dbraw/zinc/30/75/01/648307501.db2.gz ZUWRGKGUCGTIDV-IUCAKERBSA-N -1 0 298.295 2.058 20 5 CEBDRM C[C@@H]1CC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000132995294 652581567 /nfs/dbraw/zinc/58/15/67/652581567.db2.gz KLWINHQCDVLHJT-SFYZADRCSA-N -1 0 265.269 2.289 20 5 CEBDRM CSc1nc(O[C@H](C)C2CCC2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227624943 805960255 /nfs/dbraw/zinc/96/02/55/805960255.db2.gz KJYZTCTYNWEDQH-ZCFIWIBFSA-N -1 0 285.325 2.380 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693378013 802870189 /nfs/dbraw/zinc/87/01/89/802870189.db2.gz HZJMAKHXGQNCDF-DTORHVGOSA-N -1 0 250.254 2.178 20 5 CEBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1(C)CC1 ZINC001120804876 815277723 /nfs/dbraw/zinc/27/77/23/815277723.db2.gz ALSBQKPPRMXICH-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM O=c1cc(CNc2ccc3cnccc3c2[N+](=O)[O-])o[n-]1 ZINC001169485470 811530608 /nfs/dbraw/zinc/53/06/08/811530608.db2.gz OMXYNUNMANABGL-UHFFFAOYSA-N -1 0 286.247 2.449 20 5 CEBDRM CS[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000133608919 813088302 /nfs/dbraw/zinc/08/83/02/813088302.db2.gz KPCIFUQQTPWXHO-SSDOTTSWSA-N -1 0 270.310 2.456 20 5 CEBDRM CC(C)(C)O[N-]C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001116411171 814852624 /nfs/dbraw/zinc/85/26/24/814852624.db2.gz FTRPWBCQWPEBSK-UHFFFAOYSA-N -1 0 291.307 2.396 20 5 CEBDRM O=C([O-])c1ccc(Nc2ncncc2Cl)cc1[N+](=O)[O-] ZINC001174502478 816028807 /nfs/dbraw/zinc/02/88/07/816028807.db2.gz PZRWQGIQYGFRAF-UHFFFAOYSA-N -1 0 294.654 2.480 20 5 CEBDRM CCc1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174503025 816028915 /nfs/dbraw/zinc/02/89/15/816028915.db2.gz SZOIMFJSLSPHOH-UHFFFAOYSA-N -1 0 288.263 2.389 20 5 CEBDRM Cc1nccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001174502536 816029335 /nfs/dbraw/zinc/02/93/35/816029335.db2.gz UFMFWVARKHGVAD-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM Nc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1O ZINC001174505343 816030715 /nfs/dbraw/zinc/03/07/15/816030715.db2.gz BULRMQCOAWMGRX-UHFFFAOYSA-N -1 0 289.247 2.324 20 5 CEBDRM Cc1c[nH]c(=O)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673077 816452855 /nfs/dbraw/zinc/45/28/55/816452855.db2.gz RGFASLPHFDVBKI-UHFFFAOYSA-N -1 0 289.247 2.446 20 5 CEBDRM Nc1ccn(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2nccc1-2 ZINC001176673066 816452958 /nfs/dbraw/zinc/45/29/58/816452958.db2.gz RWSLZMIMWDORGY-UHFFFAOYSA-N -1 0 298.258 2.166 20 5 CEBDRM CCn1nccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673527 816454182 /nfs/dbraw/zinc/45/41/82/816454182.db2.gz VHMIRQPYCQNNQU-UHFFFAOYSA-N -1 0 276.252 2.253 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(CC(F)F)C1CC1 ZINC000269298849 190484374 /nfs/dbraw/zinc/48/43/74/190484374.db2.gz SPRIMQAVQNMWOT-UHFFFAOYSA-N -1 0 286.234 2.170 20 5 CEBDRM CCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000035095375 361809933 /nfs/dbraw/zinc/80/99/33/361809933.db2.gz QCWXIEUQOGUISA-NSHDSACASA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(N[C@H]1CCCC12CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000601705530 346883273 /nfs/dbraw/zinc/88/32/73/346883273.db2.gz NZOYKPGSNOTNEH-LBPRGKRZSA-N -1 0 276.292 2.363 20 5 CEBDRM O=C(N[C@]12C[C@H]1CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000601776707 346895921 /nfs/dbraw/zinc/89/59/21/346895921.db2.gz RDCCFVSYMQIVQS-QMTHXVAHSA-N -1 0 276.292 2.363 20 5 CEBDRM CC[C@@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cn2)[n-]1 ZINC000601933977 346930645 /nfs/dbraw/zinc/93/06/45/346930645.db2.gz VWEHTMWYIWDMPF-MRVPVSSYSA-N -1 0 262.269 2.129 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1-n1[n-]c2c(c1=O)CSCC2 ZINC000601938674 346933949 /nfs/dbraw/zinc/93/39/49/346933949.db2.gz HWXGCVIKTLWDOC-SECBINFHSA-N -1 0 291.332 2.359 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)CC(=O)[O-] ZINC000127866762 344332369 /nfs/dbraw/zinc/33/23/69/344332369.db2.gz IPUPTYKBUHUCAV-QMMMGPOBSA-N -1 0 252.270 2.426 20 5 CEBDRM C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000133560003 344369848 /nfs/dbraw/zinc/36/98/48/344369848.db2.gz KTVHUEJGAUPYMR-HTQZYQBOSA-N -1 0 250.254 2.361 20 5 CEBDRM O=C([O-])C1(CNc2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000137844943 344388524 /nfs/dbraw/zinc/38/85/24/344388524.db2.gz KFMIKCMKCRZCPE-UHFFFAOYSA-N -1 0 265.269 2.047 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)(C)C ZINC000157890977 344448493 /nfs/dbraw/zinc/44/84/93/344448493.db2.gz CEEPPXFBJDJLQL-MRVPVSSYSA-N -1 0 266.297 2.465 20 5 CEBDRM Cc1cc(NCC2(C(=O)[O-])CCCC2)ncc1[N+](=O)[O-] ZINC000165366343 344474218 /nfs/dbraw/zinc/47/42/18/344474218.db2.gz DOAUHWXGFJSNKD-UHFFFAOYSA-N -1 0 279.296 2.355 20 5 CEBDRM Cc1cc(NCC2(C(=O)[O-])CCOCC2)ccc1[N+](=O)[O-] ZINC000165970824 344475411 /nfs/dbraw/zinc/47/54/11/344475411.db2.gz HLSRSTQPRDNFOM-UHFFFAOYSA-N -1 0 294.307 2.197 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCCCS2)n1 ZINC000166811756 344477026 /nfs/dbraw/zinc/47/70/26/344477026.db2.gz DWDYCZKDTLSPAE-MRVPVSSYSA-N -1 0 297.336 2.386 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000231355932 344574652 /nfs/dbraw/zinc/57/46/52/344574652.db2.gz JLSSDDZNZUUXNC-MRVPVSSYSA-N -1 0 268.294 2.210 20 5 CEBDRM Cc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000050195008 362409393 /nfs/dbraw/zinc/40/93/93/362409393.db2.gz HWNNJFOZFVMOEM-UHFFFAOYSA-N -1 0 294.307 2.276 20 5 CEBDRM CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000323866967 344753763 /nfs/dbraw/zinc/75/37/63/344753763.db2.gz QLMROQWEMCKGSH-NSHDSACASA-N -1 0 264.281 2.219 20 5 CEBDRM COC[C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000351449329 344802117 /nfs/dbraw/zinc/80/21/17/344802117.db2.gz BJMBARLVIQLMMH-QMMMGPOBSA-N -1 0 293.279 2.175 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000590377680 345132398 /nfs/dbraw/zinc/13/23/98/345132398.db2.gz KHWJFNAKZOCIEV-SECBINFHSA-N -1 0 290.197 2.077 20 5 CEBDRM O=C([O-])[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000097065579 185520562 /nfs/dbraw/zinc/52/05/62/185520562.db2.gz RUHWVKWQOSRCJS-WCBMZHEXSA-N -1 0 250.254 2.260 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC2(C)C)n1 ZINC000592969827 345417270 /nfs/dbraw/zinc/41/72/70/345417270.db2.gz UNNOXLMVQOQNBI-MRVPVSSYSA-N -1 0 265.269 2.207 20 5 CEBDRM O=C([O-])c1cnc(N2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000592976116 345417840 /nfs/dbraw/zinc/41/78/40/345417840.db2.gz HAGZIQLTUOFVHN-JTQLQIEISA-N -1 0 291.307 2.314 20 5 CEBDRM C[C@@H]1COCC[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000592975985 345417906 /nfs/dbraw/zinc/41/79/06/345417906.db2.gz GCFNWYRQAFHGTI-MWLCHTKSSA-N -1 0 294.307 2.378 20 5 CEBDRM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1csc([N+](=O)[O-])c1 ZINC000593290085 345462804 /nfs/dbraw/zinc/46/28/04/345462804.db2.gz CPVSFPOYKFSGGX-VXNVDRBHSA-N -1 0 270.310 2.094 20 5 CEBDRM O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1C1CC1 ZINC000593763598 345534541 /nfs/dbraw/zinc/53/45/41/345534541.db2.gz SPTZMZYEYCYSRO-DTWKUNHWSA-N -1 0 282.321 2.203 20 5 CEBDRM C[C@@H]1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000594737222 345682179 /nfs/dbraw/zinc/68/21/79/345682179.db2.gz ZMNXMQLWGPQVII-BDAKNGLRSA-N -1 0 295.295 2.058 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1NCC1(C(=O)[O-])CCC1 ZINC000595978544 345920424 /nfs/dbraw/zinc/92/04/24/345920424.db2.gz YFYTYAVVFQNBGP-UHFFFAOYSA-N -1 0 294.307 2.408 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000596027550 345925109 /nfs/dbraw/zinc/92/51/09/345925109.db2.gz ZZWBPCPUVCDUQP-QMMMGPOBSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598206832 346304912 /nfs/dbraw/zinc/30/49/12/346304912.db2.gz HMBVMQVPHNQUIF-ZMLRMANQSA-N -1 0 290.319 2.466 20 5 CEBDRM CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CC1 ZINC000598382683 346342774 /nfs/dbraw/zinc/34/27/74/346342774.db2.gz ZRHRSAOEAKYDLV-CYBMUJFWSA-N -1 0 278.308 2.465 20 5 CEBDRM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000598551088 346373519 /nfs/dbraw/zinc/37/35/19/346373519.db2.gz PVISSHNALDSCDX-VIFPVBQESA-N -1 0 278.308 2.419 20 5 CEBDRM CCC(F)(F)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000600379647 346637193 /nfs/dbraw/zinc/63/71/93/346637193.db2.gz JDFZWKDRTSTPGZ-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM C[C@@H]1C[C@H]1c1n[n-]c(=NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000601068053 346743134 /nfs/dbraw/zinc/74/31/34/346743134.db2.gz HWRKASILKCRHOX-LDYMZIIASA-N -1 0 274.280 2.135 20 5 CEBDRM CC(C)c1n[n-]c(=NCc2ccccc2[N+](=O)[O-])o1 ZINC000450254985 282527675 /nfs/dbraw/zinc/52/76/75/282527675.db2.gz XINLGUYRMGMZQK-UHFFFAOYSA-N -1 0 262.269 2.135 20 5 CEBDRM Cc1occc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555455 347793872 /nfs/dbraw/zinc/79/38/72/347793872.db2.gz CIWLFEPZJMVJNQ-UHFFFAOYSA-N -1 0 276.248 2.132 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H]1F ZINC000612565945 347901904 /nfs/dbraw/zinc/90/19/04/347901904.db2.gz NKOBTDXPAVECJT-WPRPVWTQSA-N -1 0 282.271 2.121 20 5 CEBDRM O=C([O-])[C@@H]1CCCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000086814274 179342344 /nfs/dbraw/zinc/34/23/44/179342344.db2.gz DKQYYJLNSIJJKX-JTQLQIEISA-N -1 0 284.337 2.486 20 5 CEBDRM CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000087489351 179433644 /nfs/dbraw/zinc/43/36/44/179433644.db2.gz DULDJBBPXMPNKI-NSHDSACASA-N -1 0 295.295 2.073 20 5 CEBDRM C[C@@H](S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000618020524 348854163 /nfs/dbraw/zinc/85/41/63/348854163.db2.gz DBONCKJAVVWFEU-HTQZYQBOSA-N -1 0 298.320 2.128 20 5 CEBDRM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000619431547 349179768 /nfs/dbraw/zinc/17/97/68/349179768.db2.gz TYSNLOCFWWAWQV-ZUZCIYMTSA-N -1 0 292.335 2.300 20 5 CEBDRM O=C(Nc1nc2ccccc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000319085118 304016184 /nfs/dbraw/zinc/01/61/84/304016184.db2.gz PWWSULYVIVNKIE-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CC[C@@H]1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000271472771 191159221 /nfs/dbraw/zinc/15/92/21/191159221.db2.gz IUXUIMNPEKFWST-BXKDBHETSA-N -1 0 280.280 2.197 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000153148351 188067704 /nfs/dbraw/zinc/06/77/04/188067704.db2.gz RMBLJWDCBFBHAX-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]1C(F)F ZINC000338183420 366225089 /nfs/dbraw/zinc/22/50/89/366225089.db2.gz JIKOEEDKSACJJK-RQJHMYQMSA-N -1 0 272.207 2.140 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000570094055 299237689 /nfs/dbraw/zinc/23/76/89/299237689.db2.gz YTVSUZMYDIAAPY-YGRLFVJLSA-N -1 0 292.335 2.446 20 5 CEBDRM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000135423862 366437697 /nfs/dbraw/zinc/43/76/97/366437697.db2.gz OYTUDZWFGBOCDW-SNVBAGLBSA-N -1 0 294.307 2.229 20 5 CEBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(F)(F)F ZINC000338991810 366602955 /nfs/dbraw/zinc/60/29/55/366602955.db2.gz BOWGVFMHYUNZOB-UHFFFAOYSA-N -1 0 264.203 2.295 20 5 CEBDRM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179507616 189198091 /nfs/dbraw/zinc/19/80/91/189198091.db2.gz DGVKSRYVUCULAC-BDAKNGLRSA-N -1 0 296.348 2.266 20 5 CEBDRM COCCCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180786047 189274809 /nfs/dbraw/zinc/27/48/09/189274809.db2.gz SVLLMDGULKTTSB-UHFFFAOYSA-N -1 0 288.687 2.319 20 5 CEBDRM Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000019393545 361531248 /nfs/dbraw/zinc/53/12/48/361531248.db2.gz KIOCDJOXOJWLLZ-NSHDSACASA-N -1 0 294.307 2.132 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccnc1 ZINC000025392731 361625409 /nfs/dbraw/zinc/62/54/09/361625409.db2.gz HJRXTSKVALEIKM-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC(C)(C)C(=O)[O-] ZINC000087725902 363868618 /nfs/dbraw/zinc/86/86/18/363868618.db2.gz KKJNZPLTVMWYQI-UHFFFAOYSA-N -1 0 294.307 2.054 20 5 CEBDRM Cc1noc(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546346 364080770 /nfs/dbraw/zinc/08/07/70/364080770.db2.gz YJVSEGLCVDHAEZ-UHFFFAOYSA-N -1 0 291.263 2.086 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356593102 370766877 /nfs/dbraw/zinc/76/68/77/370766877.db2.gz KXKAOGAOEBDWBC-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(NCCC(C)(C)O)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124839 366866735 /nfs/dbraw/zinc/86/67/35/366866735.db2.gz VNIUANWEIKVJCI-UHFFFAOYSA-N -1 0 282.296 2.174 20 5 CEBDRM C[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCS1 ZINC000160509365 367012342 /nfs/dbraw/zinc/01/23/42/367012342.db2.gz GMOQWRXQMLHQBV-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM C/C=C/C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000584447250 367158745 /nfs/dbraw/zinc/15/87/45/367158745.db2.gz CLDBUAIKAQSMNL-VUDBWIFFSA-N -1 0 293.279 2.136 20 5 CEBDRM CC(C)(C)CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000166693801 367327460 /nfs/dbraw/zinc/32/74/60/367327460.db2.gz UEUIBRRKWUKEDW-UHFFFAOYSA-N -1 0 253.258 2.146 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183395452 368626062 /nfs/dbraw/zinc/62/60/62/368626062.db2.gz COMDBFCZXXKIGR-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(F)(F)F ZINC000348060516 368880516 /nfs/dbraw/zinc/88/05/16/368880516.db2.gz BHNKAUWYJCRBHL-SECBINFHSA-N -1 0 292.213 2.371 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000330788816 203237987 /nfs/dbraw/zinc/23/79/87/203237987.db2.gz YWGPIDKBDBHFGK-MRVPVSSYSA-N -1 0 252.270 2.171 20 5 CEBDRM COc1cc(N2CC[C@](C)(C(=O)[O-])C2)c(F)cc1[N+](=O)[O-] ZINC000227855506 189788950 /nfs/dbraw/zinc/78/89/50/189788950.db2.gz BHMMJCPXWSVOBR-ZDUSSCGKSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000211913384 370164724 /nfs/dbraw/zinc/16/47/24/370164724.db2.gz MIMCGHBHCOMOJV-IUCAKERBSA-N -1 0 264.281 2.385 20 5 CEBDRM O=C(NCC1CCSCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000226654624 370350524 /nfs/dbraw/zinc/35/05/24/370350524.db2.gz AXMHDTSMBMCKHU-UHFFFAOYSA-N -1 0 296.348 2.173 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC(=O)[O-] ZINC000232074436 370499391 /nfs/dbraw/zinc/49/93/91/370499391.db2.gz MPKXAJDEFKITAY-UHFFFAOYSA-N -1 0 295.295 2.150 20 5 CEBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@H](C2CC2)C1 ZINC000368814063 373266385 /nfs/dbraw/zinc/26/63/85/373266385.db2.gz NUTKNAGTTJZIEG-NSHDSACASA-N -1 0 276.292 2.173 20 5 CEBDRM C[C@@]1(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCCS1 ZINC000272642807 373596239 /nfs/dbraw/zinc/59/62/39/373596239.db2.gz DUNNMAAZOIWIFU-ZDUSSCGKSA-N -1 0 296.348 2.316 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000272707406 373623771 /nfs/dbraw/zinc/62/37/71/373623771.db2.gz WPYYIQIBECSQKT-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCCCC1 ZINC000280681282 375282937 /nfs/dbraw/zinc/28/29/37/375282937.db2.gz CNUKCUHEMQXDPU-UHFFFAOYSA-N -1 0 264.281 2.317 20 5 CEBDRM C[C@@H]1[C@@H](C)[C@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000399740858 375367496 /nfs/dbraw/zinc/36/74/96/375367496.db2.gz NLTFZQMCRVISSC-HRDYMLBCSA-N -1 0 279.296 2.169 20 5 CEBDRM CON(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000286539312 375987499 /nfs/dbraw/zinc/98/74/99/375987499.db2.gz PJJYHPULEGAGFH-UHFFFAOYSA-N -1 0 282.296 2.350 20 5 CEBDRM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])C(F)(F)F ZINC000565035529 377538850 /nfs/dbraw/zinc/53/88/50/377538850.db2.gz NJEUZQIJWONFBB-YFKPBYRVSA-N -1 0 293.201 2.298 20 5 CEBDRM CCOCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565037393 377540026 /nfs/dbraw/zinc/54/00/26/377540026.db2.gz QPZQUDPFDGLWPU-UHFFFAOYSA-N -1 0 268.269 2.050 20 5 CEBDRM CC[C@H](C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])OC ZINC000295988288 378382329 /nfs/dbraw/zinc/38/23/29/378382329.db2.gz JZWYIUYWAVMTIQ-CABZTGNLSA-N -1 0 296.323 2.091 20 5 CEBDRM Cc1c(CN=c2[n-]nc(C(C)C)o2)cccc1[N+](=O)[O-] ZINC000450473579 378435563 /nfs/dbraw/zinc/43/55/63/378435563.db2.gz HKKHDMCRWQLKRK-UHFFFAOYSA-N -1 0 276.296 2.444 20 5 CEBDRM CC(C)[C@@]1(C)C[C@@H]1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000458112649 380012408 /nfs/dbraw/zinc/01/24/08/380012408.db2.gz HCKSYYLQJPRHHA-GXTWGEPZSA-N -1 0 278.308 2.465 20 5 CEBDRM Cc1cc(=NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[n-]nc1C ZINC000491837212 380354092 /nfs/dbraw/zinc/35/40/92/380354092.db2.gz FRZXRTLVFGSJFX-YVMONPNESA-N -1 0 298.302 2.075 20 5 CEBDRM CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cn2)cc1C ZINC000354565733 220807878 /nfs/dbraw/zinc/80/78/78/220807878.db2.gz BSEVLBQXRDMHSE-QMMMGPOBSA-N -1 0 276.300 2.026 20 5 CEBDRM CCC[C@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000237011076 130997616 /nfs/dbraw/zinc/99/76/16/130997616.db2.gz VPNYXHYIPPXOTJ-NSHDSACASA-N -1 0 294.307 2.140 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000263564400 131298259 /nfs/dbraw/zinc/29/82/59/131298259.db2.gz DYHNZPHHNRIEOK-SECBINFHSA-N -1 0 292.291 2.165 20 5 CEBDRM O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000003756178 394454437 /nfs/dbraw/zinc/45/44/37/394454437.db2.gz JSMQXKIDAJNTOW-GFCCVEGCSA-N -1 0 264.281 2.034 20 5 CEBDRM O=C(NC[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130451468 394887486 /nfs/dbraw/zinc/88/74/86/394887486.db2.gz ZZZLLSPSNYENFH-SNVBAGLBSA-N -1 0 276.292 2.387 20 5 CEBDRM CO[C@H](CC(C)C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000416205439 395031617 /nfs/dbraw/zinc/03/16/17/395031617.db2.gz RKBWIJLKOGRSKB-GFCCVEGCSA-N -1 0 282.296 2.300 20 5 CEBDRM CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000436751408 395151802 /nfs/dbraw/zinc/15/18/02/395151802.db2.gz RSMIDPXIYPVMMT-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cs1 ZINC000436900540 395161214 /nfs/dbraw/zinc/16/12/14/395161214.db2.gz OBDFKOHLKVFIEV-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436902402 395161290 /nfs/dbraw/zinc/16/12/90/395161290.db2.gz TWQDWJHAUHDERJ-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC12CCC2 ZINC000436973679 395170165 /nfs/dbraw/zinc/17/01/65/395170165.db2.gz UKILUNXTSWPONR-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H](C)[C@H]1C ZINC000399519789 395246139 /nfs/dbraw/zinc/24/61/39/395246139.db2.gz CDXRYORPUKDDAM-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(N[C@H]1CCC[C@H](F)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000573122401 395600963 /nfs/dbraw/zinc/60/09/63/395600963.db2.gz GMAAHGHUTCFQFA-IUCAKERBSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1cc(NC[C@@H](CO)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568635174 395563761 /nfs/dbraw/zinc/56/37/61/395563761.db2.gz WIQOWOUEOGVOTN-JTQLQIEISA-N -1 0 296.323 2.278 20 5 CEBDRM CC[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000217316451 153297925 /nfs/dbraw/zinc/29/79/25/153297925.db2.gz ZKNKWKOYGWOHOC-SECBINFHSA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000020018502 170970738 /nfs/dbraw/zinc/97/07/38/170970738.db2.gz UDEOKUAUWYKOCQ-LLVKDONJSA-N -1 0 295.295 2.216 20 5 CEBDRM O=C([O-])c1ccc(CNCc2ccccc2[N+](=O)[O-])o1 ZINC000071396238 176150001 /nfs/dbraw/zinc/15/00/01/176150001.db2.gz BWLNHRKTQUEDRG-UHFFFAOYSA-N -1 0 276.248 2.176 20 5 CEBDRM CC[C@H](Sc1ncnc2cccc([N+](=O)[O-])c21)C(=O)[O-] ZINC000566917096 299029638 /nfs/dbraw/zinc/02/96/38/299029638.db2.gz HEQOFEOZPFLYPZ-VIFPVBQESA-N -1 0 293.304 2.493 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000016642646 299830332 /nfs/dbraw/zinc/83/03/32/299830332.db2.gz OAXPXUISTLRWFH-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CC2(CCC2(F)F)C1 ZINC000359527159 304500747 /nfs/dbraw/zinc/50/07/47/304500747.db2.gz KWGVPWITBYHQFE-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM CC1(C)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225806751 270309365 /nfs/dbraw/zinc/30/93/65/270309365.db2.gz IQPMSXIFNPZIBE-MRVPVSSYSA-N -1 0 264.281 2.076 20 5 CEBDRM CC[C@H](C)[C@H](Nc1ncc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000262198072 270330497 /nfs/dbraw/zinc/33/04/97/270330497.db2.gz ZSXCVMPOVZXLLY-WPRPVWTQSA-N -1 0 267.285 2.209 20 5 CEBDRM CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)(F)F ZINC000355162350 288029187 /nfs/dbraw/zinc/02/91/87/288029187.db2.gz HHBJYSWCSJTTRY-VIFPVBQESA-N -1 0 292.213 2.371 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000331935269 280389288 /nfs/dbraw/zinc/38/92/88/280389288.db2.gz FNEXILFGLVYGFY-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM CC[C@@H](O)CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000398557235 280693907 /nfs/dbraw/zinc/69/39/07/280693907.db2.gz KNWLPUJKWIILMS-SNVBAGLBSA-N -1 0 282.296 2.256 20 5 CEBDRM C[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000444471923 281607371 /nfs/dbraw/zinc/60/73/71/281607371.db2.gz BJQSCJIMYDYECZ-RKDXNWHRSA-N -1 0 264.281 2.219 20 5 CEBDRM CSCCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000152541829 289092701 /nfs/dbraw/zinc/09/27/01/289092701.db2.gz LLXIWVQXBCXFDB-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458138359 289883033 /nfs/dbraw/zinc/88/30/33/289883033.db2.gz QZAFJAKIEVDWIS-BXUZGUMPSA-N -1 0 278.308 2.465 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC2(CC2)C1 ZINC000184103329 304529237 /nfs/dbraw/zinc/52/92/37/304529237.db2.gz BEOJUSQNJGSYCZ-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC2(CCC2)C1 ZINC000283313918 304549674 /nfs/dbraw/zinc/54/96/74/304549674.db2.gz GEUYQMJWJFRLDA-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC(C)CO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539971360 298260955 /nfs/dbraw/zinc/26/09/55/298260955.db2.gz RTUICGKRLXQVNX-VIFPVBQESA-N -1 0 282.296 2.300 20 5 CEBDRM O=C([O-])c1cc(/C=C/c2ccc([N+](=O)[O-])s2)ncn1 ZINC000543861902 298312605 /nfs/dbraw/zinc/31/26/05/298312605.db2.gz IFEAZJNBQHEQAK-OWOJBTEDSA-N -1 0 277.261 2.315 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)CC(=O)[O-])n1 ZINC000565041222 298872049 /nfs/dbraw/zinc/87/20/49/298872049.db2.gz OYHIYAWUXZKAFW-SSDOTTSWSA-N -1 0 267.285 2.129 20 5 CEBDRM C[C@]1(C(=O)[O-])CCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000062932961 300785538 /nfs/dbraw/zinc/78/55/38/300785538.db2.gz RJWLKIKLFGIUSU-LBPRGKRZSA-N -1 0 268.244 2.035 20 5 CEBDRM C[C@]1(F)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000295765871 300813248 /nfs/dbraw/zinc/81/32/48/300813248.db2.gz OTEVHKQOMCQSKC-ZDUSSCGKSA-N -1 0 282.271 2.265 20 5 CEBDRM Cc1cc(NC[C@@](C)(O)C2CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000515655844 313075519 /nfs/dbraw/zinc/07/55/19/313075519.db2.gz RYIQFUYKYICRPJ-CQSZACIVSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000569605901 314003372 /nfs/dbraw/zinc/00/33/72/314003372.db2.gz UUDXVYSURUFXKK-WDEREUQCSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(N[C@H]2C[C@@H](O)C2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577066784 314338080 /nfs/dbraw/zinc/33/80/80/314338080.db2.gz NMTDOBHKETVEFH-WDEREUQCSA-N -1 0 294.307 2.173 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000383414203 321847930 /nfs/dbraw/zinc/84/79/30/321847930.db2.gz LUSMRHJWUXQESJ-SECBINFHSA-N -1 0 280.280 2.274 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCSC2)n1 ZINC000384032961 321849880 /nfs/dbraw/zinc/84/98/80/321849880.db2.gz CTXNTVUBOUTOPG-QMMMGPOBSA-N -1 0 297.336 2.243 20 5 CEBDRM CC(C)[C@](C)(O)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000581669597 322415688 /nfs/dbraw/zinc/41/56/88/322415688.db2.gz ZMPCWADCRUPVOJ-CQSZACIVSA-N -1 0 296.323 2.041 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355947531 534464363 /nfs/dbraw/zinc/46/43/63/534464363.db2.gz KBNBXSQBVOSBRN-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM O=C([O-])C1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000226760451 527563088 /nfs/dbraw/zinc/56/30/88/527563088.db2.gz GMHSYFFOGOVYNN-UHFFFAOYSA-N -1 0 271.298 2.107 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000050921008 527595947 /nfs/dbraw/zinc/59/59/47/527595947.db2.gz DSLXTLQWWNLZEV-VIFPVBQESA-N -1 0 296.279 2.047 20 5 CEBDRM CC(C)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000156670101 528050210 /nfs/dbraw/zinc/05/02/10/528050210.db2.gz YVYBHHHKEJWMCT-UHFFFAOYSA-N -1 0 290.279 2.399 20 5 CEBDRM Cc1ccnc(NCC[C@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000740194694 574444153 /nfs/dbraw/zinc/44/41/53/574444153.db2.gz HCQPQHWMMPUPIX-JTQLQIEISA-N -1 0 294.311 2.100 20 5 CEBDRM O=C([O-])N1CCCC[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000740473468 574464868 /nfs/dbraw/zinc/46/48/68/574464868.db2.gz WIEFIAPKKWJDCQ-LLVKDONJSA-N -1 0 293.279 2.066 20 5 CEBDRM O=C([O-])NC[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000740631664 574473759 /nfs/dbraw/zinc/47/37/59/574473759.db2.gz YOTSECMSYBFESV-CABZTGNLSA-N -1 0 279.296 2.443 20 5 CEBDRM C[C@H](CSCCOc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000736613025 574793044 /nfs/dbraw/zinc/79/30/44/574793044.db2.gz HHNUWKQHFXLJAG-SECBINFHSA-N -1 0 285.321 2.428 20 5 CEBDRM CC[C@@H](CCO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736905530 574799452 /nfs/dbraw/zinc/79/94/52/574799452.db2.gz UBXVXROIQFOIMH-MALLOTDXSA-N -1 0 294.307 2.266 20 5 CEBDRM CCC[C@@H](O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736971441 574800756 /nfs/dbraw/zinc/80/07/56/574800756.db2.gz BVIXXIRSRPARBX-OKPNEXGHSA-N -1 0 294.307 2.266 20 5 CEBDRM O=C([O-])CCCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000738574369 574868184 /nfs/dbraw/zinc/86/81/84/574868184.db2.gz SRUFXXIOCCNTOS-UHFFFAOYSA-N -1 0 285.227 2.146 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739035667 574890857 /nfs/dbraw/zinc/89/08/57/574890857.db2.gz IDKNWIWGIHFFBM-UWVGGRQHSA-N -1 0 294.311 2.180 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740176151 574946729 /nfs/dbraw/zinc/94/67/29/574946729.db2.gz WZRTVBUUCIEBIY-GHMZBOCLSA-N -1 0 293.323 2.386 20 5 CEBDRM O=C([O-])Nc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000740716011 574966121 /nfs/dbraw/zinc/96/61/21/574966121.db2.gz PYSAAFOLCSAZNI-UHFFFAOYSA-N -1 0 290.235 2.265 20 5 CEBDRM CO[C@]1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)C1(C)C ZINC000747330239 575169450 /nfs/dbraw/zinc/16/94/50/575169450.db2.gz MSWBUKQMYXDOGN-NOZJJQNGSA-N -1 0 282.296 2.283 20 5 CEBDRM O=C([O-])Cc1cccc(Oc2ccc([N+](=O)[O-])nc2)c1 ZINC000048806705 600396781 /nfs/dbraw/zinc/39/67/81/600396781.db2.gz ZCPQBDQXINANSD-UHFFFAOYSA-N -1 0 274.232 2.409 20 5 CEBDRM COCCSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000831788072 600730464 /nfs/dbraw/zinc/73/04/64/600730464.db2.gz CYTKOSXCNXTYOE-HYXAFXHYSA-N -1 0 283.305 2.431 20 5 CEBDRM CC(C)[C@H](OC(=O)CCc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000826723218 601605633 /nfs/dbraw/zinc/60/56/33/601605633.db2.gz QQZMIYFMBLCYRV-ZDUSSCGKSA-N -1 0 295.291 2.180 20 5 CEBDRM C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739037560 601918762 /nfs/dbraw/zinc/91/87/62/601918762.db2.gz RBWDEQQCXBMGPP-ZJUUUORDSA-N -1 0 294.311 2.180 20 5 CEBDRM C[C@@H](CC(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000827392043 602102935 /nfs/dbraw/zinc/10/29/35/602102935.db2.gz QVPNABQQMWIZAV-ZETCQYMHSA-N -1 0 277.236 2.223 20 5 CEBDRM C[C@@H](OC(=O)[C@@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000827325296 602186812 /nfs/dbraw/zinc/18/68/12/602186812.db2.gz RUAAILWKYTZYOI-DTWKUNHWSA-N -1 0 281.264 2.310 20 5 CEBDRM Cc1cc(NC[C@H](O)CC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896653 602316012 /nfs/dbraw/zinc/31/60/12/602316012.db2.gz KAMXFJDGSIDVIC-LLVKDONJSA-N -1 0 296.323 2.420 20 5 CEBDRM COc1cc(NCCN(C(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000829197234 603186760 /nfs/dbraw/zinc/18/67/60/603186760.db2.gz FVJLWGQMOLZTEX-UHFFFAOYSA-N -1 0 295.295 2.158 20 5 CEBDRM C[C@@H](CCNc1ncc([N+](=O)[O-])cc1Cl)NC(=O)[O-] ZINC000738911090 603244230 /nfs/dbraw/zinc/24/42/30/603244230.db2.gz YKPUVKWZQUQJTO-LURJTMIESA-N -1 0 288.691 2.101 20 5 CEBDRM Cc1ccc(N2CCC(CNC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000830339866 603442959 /nfs/dbraw/zinc/44/29/59/603442959.db2.gz GUXNFPAJQGJVCL-UHFFFAOYSA-N -1 0 293.323 2.387 20 5 CEBDRM Cc1cc(N[C@H]2CCCCN(C(=O)[O-])C2)ncc1[N+](=O)[O-] ZINC000830116642 603890395 /nfs/dbraw/zinc/89/03/95/603890395.db2.gz ILUUKRQRRVTFLN-JTQLQIEISA-N -1 0 294.311 2.243 20 5 CEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000833419169 604874142 /nfs/dbraw/zinc/87/41/42/604874142.db2.gz HMCMYDIBXGHANL-JTQLQIEISA-N -1 0 293.323 2.317 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)CNC(=O)[O-])n1 ZINC000830427593 604904898 /nfs/dbraw/zinc/90/48/98/604904898.db2.gz KOULKZKUOSJVAD-UHFFFAOYSA-N -1 0 296.327 2.028 20 5 CEBDRM O=C([O-])C[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042161410 605012171 /nfs/dbraw/zinc/01/21/71/605012171.db2.gz WDSFNNRTPAPFGR-SNVBAGLBSA-N -1 0 293.279 2.066 20 5 CEBDRM Cc1cnc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000231656407 605188406 /nfs/dbraw/zinc/18/84/06/605188406.db2.gz QHESGBFSIXQABV-UHFFFAOYSA-N -1 0 277.236 2.202 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000833819768 605496784 /nfs/dbraw/zinc/49/67/84/605496784.db2.gz VHXDEOZNNQDOKR-JGVFFNPUSA-N -1 0 285.325 2.139 20 5 CEBDRM O=C([O-])NC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1F ZINC000834222534 605645892 /nfs/dbraw/zinc/64/58/92/605645892.db2.gz ZBUUXOJOYNWDBE-SNVBAGLBSA-N -1 0 297.286 2.360 20 5 CEBDRM COc1cc(NC[C@@H](NC(=O)[O-])C2CC2)ccc1[N+](=O)[O-] ZINC000833887957 605921095 /nfs/dbraw/zinc/92/10/95/605921095.db2.gz OZRXJXMRXSVGTM-SNVBAGLBSA-N -1 0 295.295 2.062 20 5 CEBDRM O=C([O-])c1cc(NCC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000236467844 625943393 /nfs/dbraw/zinc/94/33/93/625943393.db2.gz XWUQAVWRCXOTFZ-UHFFFAOYSA-N -1 0 280.280 2.010 20 5 CEBDRM CCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000035095468 631599835 /nfs/dbraw/zinc/59/98/35/631599835.db2.gz OBNOLKHECRYCPT-ZETCQYMHSA-N -1 0 286.309 2.030 20 5 CEBDRM C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCS1 ZINC000834653356 637905835 /nfs/dbraw/zinc/90/58/35/637905835.db2.gz BFRCUNBWKMNFCH-RKDXNWHRSA-N -1 0 296.348 2.314 20 5 CEBDRM CN(C[Si](C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000911726130 638377906 /nfs/dbraw/zinc/37/79/06/638377906.db2.gz FMZUNTOSVCJKJV-UHFFFAOYSA-N -1 0 282.372 2.250 20 5 CEBDRM CC(C)OCCC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837419123 639221878 /nfs/dbraw/zinc/22/18/78/639221878.db2.gz ISZUUJICUHEARJ-UHFFFAOYSA-N -1 0 283.280 2.159 20 5 CEBDRM CC(=O)c1ccc(N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000841503386 639778500 /nfs/dbraw/zinc/77/85/00/639778500.db2.gz JITDNYPGZNBUNV-UHFFFAOYSA-N -1 0 280.280 2.098 20 5 CEBDRM CC[C@@]1(C(=O)[O-])CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000062874825 639792231 /nfs/dbraw/zinc/79/22/31/639792231.db2.gz LVVKTWDYRIHZGG-CYBMUJFWSA-N -1 0 279.296 2.071 20 5 CEBDRM CN(CCC1CC1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844215306 640634180 /nfs/dbraw/zinc/63/41/80/640634180.db2.gz OLGDRTUXBPRQRO-UHFFFAOYSA-N -1 0 278.308 2.458 20 5 CEBDRM CC(C)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000848637575 642083305 /nfs/dbraw/zinc/08/33/05/642083305.db2.gz JPYQHVHFHWFPCD-SECBINFHSA-N -1 0 292.295 2.011 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2C=CCC2)n1 ZINC000849348398 642339742 /nfs/dbraw/zinc/33/97/42/642339742.db2.gz MHVZCYUWCAVKAD-MRVPVSSYSA-N -1 0 263.253 2.127 20 5 CEBDRM O=C([O-])/C=C/c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000849349040 642340927 /nfs/dbraw/zinc/34/09/27/642340927.db2.gz ZLVQYDBYVJWPNM-MALLOTDXSA-N -1 0 292.291 2.284 20 5 CEBDRM Cc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])c([O-])c1)NC2=O ZINC000877864168 650932392 /nfs/dbraw/zinc/93/23/92/650932392.db2.gz LNEGAGMUSXHEEI-CQSZACIVSA-N -1 0 299.286 2.463 20 5 CEBDRM O=C(NCCC1CCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000773294407 646723343 /nfs/dbraw/zinc/72/33/43/646723343.db2.gz VQLQGIMXGTWCDI-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CC(C)[C@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000774846804 646901838 /nfs/dbraw/zinc/90/18/38/646901838.db2.gz DZDDAFZALXECSF-RKDXNWHRSA-N -1 0 252.270 2.372 20 5 CEBDRM O=C(CNc1ccccc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000779316388 647309852 /nfs/dbraw/zinc/30/98/52/647309852.db2.gz BRWDHNSNXPQLEJ-UHFFFAOYSA-N -1 0 293.323 2.387 20 5 CEBDRM COCCc1cccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000786763764 648043191 /nfs/dbraw/zinc/04/31/91/648043191.db2.gz SZZVZTKEVFEEOR-UHFFFAOYSA-N -1 0 290.275 2.331 20 5 CEBDRM O=C([N-]OCC1CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000868553020 648167383 /nfs/dbraw/zinc/16/73/83/648167383.db2.gz FQVRCUNUOAPGPI-UHFFFAOYSA-N -1 0 290.319 2.474 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H](CF)C1 ZINC000881598211 651814800 /nfs/dbraw/zinc/81/48/00/651814800.db2.gz BUTOHXVHQKVYGX-SECBINFHSA-N -1 0 282.271 2.122 20 5 CEBDRM C[C@H]1CC[C@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000132961005 652578457 /nfs/dbraw/zinc/57/84/57/652578457.db2.gz QNRMRMDLTSWJQQ-CBAPKCEASA-N -1 0 265.269 2.289 20 5 CEBDRM C[C@H]1CC(Oc2nc(=O)[n-]cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001226332130 805580169 /nfs/dbraw/zinc/58/01/69/805580169.db2.gz SROVPNPUJCTYQQ-HTQZYQBOSA-N -1 0 267.285 2.294 20 5 CEBDRM Cc1[nH]c(=O)cc(O[C@@H](C)C2=CC=C[CH]2)c1[N+](=O)[O-] ZINC001228688321 806328981 /nfs/dbraw/zinc/32/89/81/806328981.db2.gz HREUNHQYPRNDJK-VIFPVBQESA-N -1 0 261.257 2.472 20 5 CEBDRM COC(=O)c1ccnnc1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210952387 802757983 /nfs/dbraw/zinc/75/79/83/802757983.db2.gz FLSOTFYPDLLXOZ-UHFFFAOYSA-N -1 0 292.226 2.054 20 5 CEBDRM O=C([O-])[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000693389296 802882058 /nfs/dbraw/zinc/88/20/58/802882058.db2.gz QEUHZZXQJNNPHV-KNVOCYPGSA-N -1 0 254.217 2.009 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@@H]1C(=O)[O-] ZINC000715313931 814946391 /nfs/dbraw/zinc/94/63/91/814946391.db2.gz KWTYNEBOFRZJEK-IUCAKERBSA-N -1 0 250.254 2.036 20 5 CEBDRM C[C@H](Oc1cccc([O-])c1[N+](=O)[O-])c1cncnc1 ZINC001225619432 805036160 /nfs/dbraw/zinc/03/61/60/805036160.db2.gz ACVOXFWPIXLXNA-QMMMGPOBSA-N -1 0 261.237 2.230 20 5 CEBDRM O=c1nc(O[C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])c(Cl)[n-]1 ZINC001231076036 810587725 /nfs/dbraw/zinc/58/77/25/810587725.db2.gz KHPIIYOSWILWDM-NTSWFWBYSA-N -1 0 291.666 2.403 20 5 CEBDRM CSC[C@@H]1CCCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000400000691 813727889 /nfs/dbraw/zinc/72/78/89/813727889.db2.gz NOGUQYYFHRPKSL-QMMMGPOBSA-N -1 0 297.336 2.020 20 5 CEBDRM COc1nc(Nc2ccc(C=C[N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC001175899232 816302533 /nfs/dbraw/zinc/30/25/33/816302533.db2.gz POCPRBIOWKOKNQ-VOTSOKGWSA-N -1 0 288.263 2.182 20 5 CEBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC001176672112 816452870 /nfs/dbraw/zinc/45/28/70/816452870.db2.gz HGCYYVGQOFCIDP-UHFFFAOYSA-N -1 0 263.209 2.333 20 5 CEBDRM O=C([O-])c1cc(Nc2cncc(O)c2)cc([N+](=O)[O-])c1 ZINC001176674484 816454278 /nfs/dbraw/zinc/45/42/78/816454278.db2.gz KKXLWZDRJVEGTP-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM CC1(F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000601867014 346919020 /nfs/dbraw/zinc/91/90/20/346919020.db2.gz GCKFFFITSBVBQQ-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM O=c1cc(C[C@H]2CCCO2)[n-]n1-c1cccc([N+](=O)[O-])c1 ZINC000601931201 346929425 /nfs/dbraw/zinc/92/94/25/346929425.db2.gz GNBCNQSLKLWMLT-CYBMUJFWSA-N -1 0 289.291 2.257 20 5 CEBDRM CC[C@@H](C(=O)[O-])N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000044619441 343475471 /nfs/dbraw/zinc/47/54/71/343475471.db2.gz GDIXXBRFCVSJLC-QMMMGPOBSA-N -1 0 256.233 2.033 20 5 CEBDRM Cc1nc([N-]S(=O)(=O)c2ccsc2)ccc1[N+](=O)[O-] ZINC000351396707 219095641 /nfs/dbraw/zinc/09/56/41/219095641.db2.gz LJAXCMVRHWGYNP-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM Cc1cc(N[C@H]2COCC2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567977857 299103496 /nfs/dbraw/zinc/10/34/96/299103496.db2.gz OJKLPJVGKLLNDA-NSHDSACASA-N -1 0 294.307 2.438 20 5 CEBDRM CCn1cc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000449668115 282323886 /nfs/dbraw/zinc/32/38/86/282323886.db2.gz KCWQJIKIDKPSFC-JTQLQIEISA-N -1 0 290.323 2.368 20 5 CEBDRM O=C(CCC1CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546559 344194751 /nfs/dbraw/zinc/19/47/51/344194751.db2.gz ORRTWAOSFNJFLO-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM COc1cccc(NC[C@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000134886977 344378546 /nfs/dbraw/zinc/37/85/46/344378546.db2.gz WGHRWKAEXOABBP-VIFPVBQESA-N -1 0 282.296 2.372 20 5 CEBDRM CC[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000157603623 344447118 /nfs/dbraw/zinc/44/71/18/344447118.db2.gz ULMYXNBAIFOMGT-SECBINFHSA-N -1 0 297.336 2.020 20 5 CEBDRM C[C@H]1C[C@@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000159369098 344454693 /nfs/dbraw/zinc/45/46/93/344454693.db2.gz VGKQHQAAZSRJDC-IONNQARKSA-N -1 0 250.254 2.361 20 5 CEBDRM CC1=CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000160044800 344456968 /nfs/dbraw/zinc/45/69/68/344456968.db2.gz OIMRZCYHDGMAKW-UHFFFAOYSA-N -1 0 262.265 2.449 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCSC2)c1 ZINC000228579007 344561733 /nfs/dbraw/zinc/56/17/33/344561733.db2.gz PFHPUMDXPOANMM-MRVPVSSYSA-N -1 0 282.321 2.458 20 5 CEBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(F)(F)CC1 ZINC000404790645 344882697 /nfs/dbraw/zinc/88/26/97/344882697.db2.gz DWGVUNWEAIXROL-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C(NC/C=C\c1cccnc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000590397103 345132960 /nfs/dbraw/zinc/13/29/60/345132960.db2.gz MWSBVFKDKLNUMM-RQOWECAXSA-N -1 0 299.286 2.139 20 5 CEBDRM O=C(NC/C=C/c1cccnc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000590397399 345133506 /nfs/dbraw/zinc/13/35/06/345133506.db2.gz RIMZJCSIPUPURG-HWKANZROSA-N -1 0 299.286 2.139 20 5 CEBDRM COC(=O)c1ccc([N+](=O)[O-])c(NCCCCC(=O)[O-])c1 ZINC000591326708 345240721 /nfs/dbraw/zinc/24/07/21/345240721.db2.gz JJMNKEJWUHEMEO-UHFFFAOYSA-N -1 0 296.279 2.048 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000592980708 345418454 /nfs/dbraw/zinc/41/84/54/345418454.db2.gz XFTHOXOSPNDYFY-ONGXEEELSA-N -1 0 293.323 2.154 20 5 CEBDRM CC1(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC=CC1 ZINC000594382089 345619447 /nfs/dbraw/zinc/61/94/47/345619447.db2.gz ADHNLUVRFNKKHZ-UHFFFAOYSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000594544961 345645381 /nfs/dbraw/zinc/64/53/81/345645381.db2.gz BIUAJKFXBRFBFW-LURJTMIESA-N -1 0 258.661 2.381 20 5 CEBDRM C[C@H]1CCC[C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000594736906 345681694 /nfs/dbraw/zinc/68/16/94/345681694.db2.gz XYCJVTXTKZBGAS-DTWKUNHWSA-N -1 0 295.295 2.058 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](CC(=O)[O-])C1CC1 ZINC000594736791 345681828 /nfs/dbraw/zinc/68/18/28/345681828.db2.gz VFEZWLSNMJSATC-SNVBAGLBSA-N -1 0 296.327 2.032 20 5 CEBDRM O=C([O-])c1ccnc(NCC2=CCCC2)c1[N+](=O)[O-] ZINC000595278425 345753159 /nfs/dbraw/zinc/75/31/59/345753159.db2.gz ZVLQHEHRLGKYJT-UHFFFAOYSA-N -1 0 263.253 2.210 20 5 CEBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc([N+](=O)[O-])s1 ZINC000595972438 345919501 /nfs/dbraw/zinc/91/95/01/345919501.db2.gz BROCWNNQDCPDCZ-YUMQZZPRSA-N -1 0 270.310 2.346 20 5 CEBDRM Cc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1[N+](=O)[O-] ZINC000595987801 345921209 /nfs/dbraw/zinc/92/12/09/345921209.db2.gz XUDNHLOWMHFJOK-UHFFFAOYSA-N -1 0 290.275 2.263 20 5 CEBDRM COC[C@@H](CSCc1cc([O-])ccc1[N+](=O)[O-])OC ZINC000596393117 346013515 /nfs/dbraw/zinc/01/35/15/346013515.db2.gz HRTFIIQQCWZFRD-NSHDSACASA-N -1 0 287.337 2.195 20 5 CEBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCO1 ZINC000597445214 346186882 /nfs/dbraw/zinc/18/68/82/346186882.db2.gz SMOQHLXEFJIOOL-ZANVPECISA-N -1 0 294.307 2.444 20 5 CEBDRM O=C(NCC1=CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000598376562 346341751 /nfs/dbraw/zinc/34/17/51/346341751.db2.gz OZZABLBLTBWKJC-UHFFFAOYSA-N -1 0 262.265 2.141 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000598385429 346343745 /nfs/dbraw/zinc/34/37/45/346343745.db2.gz IKPINMIIHPXZTN-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM CN(C[C@H]1CC1(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598551985 346373484 /nfs/dbraw/zinc/37/34/84/346373484.db2.gz YMMSEXXWYRNKTG-SNVBAGLBSA-N -1 0 278.308 2.419 20 5 CEBDRM CCO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(C)C ZINC000599713541 346573337 /nfs/dbraw/zinc/57/33/37/346573337.db2.gz KAUWYKFEBLAIHO-GFCCVEGCSA-N -1 0 282.296 2.300 20 5 CEBDRM CCOc1cc(N2CCC[C@@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000111238522 136561452 /nfs/dbraw/zinc/56/14/52/136561452.db2.gz OKLHMPSZTQMJAJ-SNVBAGLBSA-N -1 0 294.307 2.295 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600802194 346692891 /nfs/dbraw/zinc/69/28/91/346692891.db2.gz STZAQDNESWMFTF-ZJUUUORDSA-N -1 0 294.307 2.150 20 5 CEBDRM C[C@@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1=O ZINC000356302454 370649344 /nfs/dbraw/zinc/64/93/44/370649344.db2.gz ZXFUZXLVEQVKMC-RKDXNWHRSA-N -1 0 292.291 2.244 20 5 CEBDRM Cc1ccc(CN=c2[n-]nc([C@H]3C[C@@H]3C)o2)cc1[N+](=O)[O-] ZINC000601064916 346742347 /nfs/dbraw/zinc/74/23/47/346742347.db2.gz UIFNGJRRIUHAOB-ONGXEEELSA-N -1 0 288.307 2.444 20 5 CEBDRM CN(Cc1ccns1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000602881973 347237172 /nfs/dbraw/zinc/23/71/72/347237172.db2.gz ILSLJVQEHDNSPZ-UHFFFAOYSA-N -1 0 279.321 2.389 20 5 CEBDRM C[C@@H]1C[C@@H](CCN=c2[n-]cc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000338484230 297247578 /nfs/dbraw/zinc/24/75/78/297247578.db2.gz KUFOMJQMFPTKIV-ILWJIGKKSA-N -1 0 285.369 2.479 20 5 CEBDRM CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000604490530 347417930 /nfs/dbraw/zinc/41/79/30/347417930.db2.gz ZVFVPITXPAMXJP-QMMMGPOBSA-N -1 0 252.270 2.219 20 5 CEBDRM CCCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128539593 187376094 /nfs/dbraw/zinc/37/60/94/187376094.db2.gz ZSPJOFYFNCWCLZ-UHFFFAOYSA-N -1 0 290.316 2.202 20 5 CEBDRM O=C(Nc1c(O)cccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000610681043 347702889 /nfs/dbraw/zinc/70/28/89/347702889.db2.gz BJTKITFVJFDNJQ-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cncs1 ZINC000129982626 365913049 /nfs/dbraw/zinc/91/30/49/365913049.db2.gz GPQMTZQBHIPKAU-OWOJBTEDSA-N -1 0 277.261 2.315 20 5 CEBDRM O=[N+]([O-])c1cccc(CCN=c2[n-]c(C3CCC3)no2)c1 ZINC000450401659 282591652 /nfs/dbraw/zinc/59/16/52/282591652.db2.gz ANBIRKNXUWPRJH-UHFFFAOYSA-N -1 0 288.307 2.322 20 5 CEBDRM CC(C)[C@@H](C)N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273396886 192138623 /nfs/dbraw/zinc/13/86/23/192138623.db2.gz PWUSYMVYKOAUCR-SECBINFHSA-N -1 0 266.297 2.417 20 5 CEBDRM C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092546134 180404023 /nfs/dbraw/zinc/40/40/23/180404023.db2.gz MJAARZQBLDPNQZ-KWQFWETISA-N -1 0 292.291 2.244 20 5 CEBDRM CSC[C@@H]1CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119265100 186814172 /nfs/dbraw/zinc/81/41/72/186814172.db2.gz MAGIGEOIORWHEC-JTQLQIEISA-N -1 0 296.348 2.268 20 5 CEBDRM CC[C@H](C)CO[N-]C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000292089204 198159517 /nfs/dbraw/zinc/15/95/17/198159517.db2.gz FHGNOSNWHRQHEX-JTQLQIEISA-N -1 0 296.323 2.376 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@@H]1C(F)F ZINC000338183417 366225521 /nfs/dbraw/zinc/22/55/21/366225521.db2.gz JIKOEEDKSACJJK-BQBZGAKWSA-N -1 0 272.207 2.140 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC2CCCC2)n1 ZINC000569813544 299220413 /nfs/dbraw/zinc/22/04/13/299220413.db2.gz IRGKPNKLAIZFQS-UHFFFAOYSA-N -1 0 279.296 2.020 20 5 CEBDRM COc1nn(C)cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC000352601924 219522703 /nfs/dbraw/zinc/52/27/03/219522703.db2.gz NHPNGUAMYIMKNV-UHFFFAOYSA-N -1 0 283.675 2.129 20 5 CEBDRM Cc1cc(N[C@H](C)CCCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570573246 299265859 /nfs/dbraw/zinc/26/58/59/299265859.db2.gz OCXFRUFDQWZACM-SECBINFHSA-N -1 0 282.296 2.174 20 5 CEBDRM CC1(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCCC1 ZINC000231407988 540413924 /nfs/dbraw/zinc/41/39/24/540413924.db2.gz XOYHCMJXDKORIG-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM COCC[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000570931035 299286507 /nfs/dbraw/zinc/28/65/07/299286507.db2.gz BPNQXPATLIQDEB-VIFPVBQESA-N -1 0 282.296 2.378 20 5 CEBDRM CC(C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000148385984 366581144 /nfs/dbraw/zinc/58/11/44/366581144.db2.gz YJUORQOPWJKVOK-QMMMGPOBSA-N -1 0 287.703 2.412 20 5 CEBDRM CCc1ccc(C(=O)NCCCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000236963340 370666584 /nfs/dbraw/zinc/66/65/84/370666584.db2.gz PLNFFHWZTBQVHC-UHFFFAOYSA-N -1 0 294.307 2.142 20 5 CEBDRM C[C@@H](N=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000362736266 296031338 /nfs/dbraw/zinc/03/13/38/296031338.db2.gz MIWGMYXSCDEPII-MRVPVSSYSA-N -1 0 274.280 2.277 20 5 CEBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccn1 ZINC000025405632 361624999 /nfs/dbraw/zinc/62/49/99/361624999.db2.gz KWZWCCTXSRXQMX-SECBINFHSA-N -1 0 287.275 2.186 20 5 CEBDRM CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000087487268 363857274 /nfs/dbraw/zinc/85/72/74/363857274.db2.gz GZRAYOCZJXGXLV-SNVBAGLBSA-N -1 0 294.307 2.134 20 5 CEBDRM CCC[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000088147330 363878748 /nfs/dbraw/zinc/87/87/48/363878748.db2.gz ZIAIVCRLSIZYPJ-SNVBAGLBSA-N -1 0 294.307 2.134 20 5 CEBDRM COCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000092546640 364080821 /nfs/dbraw/zinc/08/08/21/364080821.db2.gz CNBWZVJMCMWGRQ-UHFFFAOYSA-N -1 0 294.307 2.446 20 5 CEBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccnc1 ZINC000356552811 370752106 /nfs/dbraw/zinc/75/21/06/370752106.db2.gz SQUSIXPAMMUMQD-VIFPVBQESA-N -1 0 287.275 2.186 20 5 CEBDRM CCCC[C@H](COC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118958720 365191918 /nfs/dbraw/zinc/19/19/18/365191918.db2.gz RSIGRYJGKZWULQ-LLVKDONJSA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000582787810 366957748 /nfs/dbraw/zinc/95/77/48/366957748.db2.gz RVZFLGKBJHYMNJ-VHSXEESVSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1[N+](=O)[O-] ZINC000341189633 367213391 /nfs/dbraw/zinc/21/33/91/367213391.db2.gz IOFKUOKPNLOVNJ-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM CC(C)CCOCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164404464 367285001 /nfs/dbraw/zinc/28/50/01/367285001.db2.gz SLDCCWNENFYJGP-UHFFFAOYSA-N -1 0 296.323 2.093 20 5 CEBDRM CC[C@H]1C[C@@H](C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000166103533 367318265 /nfs/dbraw/zinc/31/82/65/367318265.db2.gz LHSDGAVMYZRPOU-ONGXEEELSA-N -1 0 294.307 2.444 20 5 CEBDRM CCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000182083606 368521836 /nfs/dbraw/zinc/52/18/36/368521836.db2.gz KVRYELZYBNWZQE-UHFFFAOYSA-N -1 0 264.281 2.220 20 5 CEBDRM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nncs1 ZINC000348021609 368861764 /nfs/dbraw/zinc/86/17/64/368861764.db2.gz VWWFQYCUUYWMGG-UHFFFAOYSA-N -1 0 294.292 2.097 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186178496 368931666 /nfs/dbraw/zinc/93/16/66/368931666.db2.gz VXDIPCDDYVEYPO-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM CCC1(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCC1 ZINC000187659230 369197326 /nfs/dbraw/zinc/19/73/26/369197326.db2.gz PKTNUXSPSVTHAX-UHFFFAOYSA-N -1 0 264.281 2.363 20 5 CEBDRM C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000188066703 369288379 /nfs/dbraw/zinc/28/83/79/369288379.db2.gz WSFDUXNJBNSPQP-DTORHVGOSA-N -1 0 264.281 2.313 20 5 CEBDRM C[C@@H](CC1CC1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192964831 369875735 /nfs/dbraw/zinc/87/57/35/369875735.db2.gz LFCCOSIARSSGSG-QMMMGPOBSA-N -1 0 292.291 2.211 20 5 CEBDRM CC(C)(C)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000232501151 189817597 /nfs/dbraw/zinc/81/75/97/189817597.db2.gz BJXXAMHDNPHDEW-UHFFFAOYSA-N -1 0 252.270 2.076 20 5 CEBDRM C[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1(F)F ZINC000331945582 204321683 /nfs/dbraw/zinc/32/16/83/204321683.db2.gz JACLAOMVBZGVBI-SSDLBLMSSA-N -1 0 272.207 2.140 20 5 CEBDRM CCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274678450 374008447 /nfs/dbraw/zinc/00/84/47/374008447.db2.gz HSYVPUNPNYSDNG-UHFFFAOYSA-N -1 0 252.270 2.173 20 5 CEBDRM C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564729880 377441540 /nfs/dbraw/zinc/44/15/40/377441540.db2.gz VHQJLHKTZVZDJQ-WPRPVWTQSA-N -1 0 282.271 2.281 20 5 CEBDRM Cc1cc(N[C@@H](CO)CC(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038173 377540247 /nfs/dbraw/zinc/54/02/47/377540247.db2.gz NCNFSXSTSFVVER-LLVKDONJSA-N -1 0 296.323 2.420 20 5 CEBDRM CO[C@H]1CCCC[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000293455993 377575143 /nfs/dbraw/zinc/57/51/43/377575143.db2.gz KWURMCZCVUUZQY-MFKMUULPSA-N -1 0 294.307 2.444 20 5 CEBDRM CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436862769 377831950 /nfs/dbraw/zinc/83/19/50/377831950.db2.gz PKMXCHOLPVKPEZ-UHFFFAOYSA-N -1 0 266.297 2.466 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000443379114 378050034 /nfs/dbraw/zinc/05/00/34/378050034.db2.gz XGPCRTARNLCLEX-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM CC(C)(CCC(=O)Nc1cc(F)ccc1O)[N+](=O)[O-] ZINC000295427182 378152642 /nfs/dbraw/zinc/15/26/42/378152642.db2.gz WHNINHRDBSFZQY-UHFFFAOYSA-N -1 0 270.260 2.305 20 5 CEBDRM CCO[C@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000521252718 379523083 /nfs/dbraw/zinc/52/30/83/379523083.db2.gz MSNQEKXZXHSMDH-PHIMTYICSA-N -1 0 294.307 2.201 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@@H]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000574880426 299535604 /nfs/dbraw/zinc/53/56/04/299535604.db2.gz LCGJUVVXROXCCZ-LLVKDONJSA-N -1 0 294.307 2.203 20 5 CEBDRM Cc1cccc(C(=O)NCCC(C)(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000261637739 131158308 /nfs/dbraw/zinc/15/83/08/131158308.db2.gz IHTRUUNOGOOSLN-UHFFFAOYSA-N -1 0 294.307 2.134 20 5 CEBDRM C[C@H]1CCSCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000190063251 300025497 /nfs/dbraw/zinc/02/54/97/300025497.db2.gz BLEKHMDHOMQAOW-VIFPVBQESA-N -1 0 296.348 2.268 20 5 CEBDRM CC[C@H](C)CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000421918322 394638854 /nfs/dbraw/zinc/63/88/54/394638854.db2.gz PFPWJMFLKCMYOV-QMMMGPOBSA-N -1 0 252.270 2.076 20 5 CEBDRM COc1cc(N2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])cc1F ZINC000111762256 394741648 /nfs/dbraw/zinc/74/16/48/394741648.db2.gz LBVDKLQRNMFUCG-UHFFFAOYSA-N -1 0 298.270 2.044 20 5 CEBDRM C[C@H]1[C@@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000416316683 395054369 /nfs/dbraw/zinc/05/43/69/395054369.db2.gz HOFBOJHYFYHQBY-OPRDCNLKSA-N -1 0 278.308 2.417 20 5 CEBDRM CCSCCCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436494043 395122027 /nfs/dbraw/zinc/12/20/27/395122027.db2.gz HFUOPINYKGUVMY-UHFFFAOYSA-N -1 0 284.337 2.173 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436832536 395158829 /nfs/dbraw/zinc/15/88/29/395158829.db2.gz SAMMFRWNRWJRMM-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000436909829 395162841 /nfs/dbraw/zinc/16/28/41/395162841.db2.gz BAXUJZJCIZAUMY-NXEZZACHSA-N -1 0 278.308 2.466 20 5 CEBDRM O=C(NCCCC(F)(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436971731 395168664 /nfs/dbraw/zinc/16/86/64/395168664.db2.gz KSKVAKDAMXNRIX-UHFFFAOYSA-N -1 0 292.213 2.373 20 5 CEBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000436973721 395170201 /nfs/dbraw/zinc/17/02/01/395170201.db2.gz UUDGVFUEBVQQEE-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM CC1(C)CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180068704 395199631 /nfs/dbraw/zinc/19/96/31/395199631.db2.gz ZQLVUTULTOEGBS-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000444483096 395434154 /nfs/dbraw/zinc/43/41/54/395434154.db2.gz NIUNYRXPHLGVQF-PSASIEDQSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000567866012 395537242 /nfs/dbraw/zinc/53/72/42/395537242.db2.gz LYZGPUGDVCXVTF-NXEZZACHSA-N -1 0 264.281 2.142 20 5 CEBDRM C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119191048 296643157 /nfs/dbraw/zinc/64/31/57/296643157.db2.gz RIRWKGZJNNOWRU-RKDXNWHRSA-N -1 0 264.281 2.313 20 5 CEBDRM CC[C@H](C)[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000019400720 170784654 /nfs/dbraw/zinc/78/46/54/170784654.db2.gz LSHQEGQNDFTFKX-UFBFGSQYSA-N -1 0 294.307 2.132 20 5 CEBDRM CCC[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000044747691 175243016 /nfs/dbraw/zinc/24/30/16/175243016.db2.gz PBESRSREASRQLL-CQSZACIVSA-N -1 0 294.307 2.276 20 5 CEBDRM C[C@@H]1C[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000225816862 270309641 /nfs/dbraw/zinc/30/96/41/270309641.db2.gz SQYRNHZULREXTI-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(NCc1ccsc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184657362 280119461 /nfs/dbraw/zinc/11/94/61/280119461.db2.gz XFNKPMBZSWNJMJ-UHFFFAOYSA-N -1 0 278.289 2.292 20 5 CEBDRM CC(C)[C@H]1CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000331928422 280389347 /nfs/dbraw/zinc/38/93/47/280389347.db2.gz DMOROLFRZAITLE-LLVKDONJSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397990682 280689140 /nfs/dbraw/zinc/68/91/40/280689140.db2.gz WUBUGKJNRJHDLZ-OIBJUYFYSA-N -1 0 282.321 2.456 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280686480 297225773 /nfs/dbraw/zinc/22/57/73/297225773.db2.gz DDFBSRLQLCMWNV-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCC2(F)F)C1 ZINC000359544058 304528721 /nfs/dbraw/zinc/52/87/21/304528721.db2.gz HBPWJVLIHZTVPZ-UHFFFAOYSA-N -1 0 298.245 2.172 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](C2CC2)C1 ZINC000374303396 304530952 /nfs/dbraw/zinc/53/09/52/304530952.db2.gz UIPDQYUISHVKGY-NSHDSACASA-N -1 0 276.292 2.173 20 5 CEBDRM Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000194740454 302004205 /nfs/dbraw/zinc/00/42/05/302004205.db2.gz ZDUSLCPATIIQOP-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=C([O-])c1ccnc(N[C@@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC000563215175 313724027 /nfs/dbraw/zinc/72/40/27/313724027.db2.gz YRBNFDJEFKMNQG-RKDXNWHRSA-N -1 0 283.259 2.381 20 5 CEBDRM C[C@@H]1CC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000566290379 313863718 /nfs/dbraw/zinc/86/37/18/313863718.db2.gz GYQHKHGHBZHRMU-HTQZYQBOSA-N -1 0 295.295 2.056 20 5 CEBDRM C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000567866015 313912768 /nfs/dbraw/zinc/91/27/68/313912768.db2.gz LYZGPUGDVCXVTF-ZJUUUORDSA-N -1 0 264.281 2.142 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000567865820 313913141 /nfs/dbraw/zinc/91/31/41/313913141.db2.gz GICHVGXAPGBUSY-LDYMZIIASA-N -1 0 293.323 2.154 20 5 CEBDRM Cc1cc(N(C)CCCCCO)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569608240 314004335 /nfs/dbraw/zinc/00/43/35/314004335.db2.gz GKNGBRZKAVPWIS-UHFFFAOYSA-N -1 0 296.323 2.200 20 5 CEBDRM Cc1ccc(CCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000570873107 314062696 /nfs/dbraw/zinc/06/26/96/314062696.db2.gz SOHYUNYTHMIOEB-UHFFFAOYSA-N -1 0 290.275 2.174 20 5 CEBDRM C/C=C\C[C@@H](NC(=O)c1cc(C)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000578830491 314520323 /nfs/dbraw/zinc/52/03/23/314520323.db2.gz CSBCLXWAGJNATJ-VSQXVHSFSA-N -1 0 292.291 2.052 20 5 CEBDRM C[C@@H]1[C@H](C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000399554604 326807419 /nfs/dbraw/zinc/80/74/19/326807419.db2.gz BZTQNASDGCILTD-HLTSFMKQSA-N -1 0 279.296 2.169 20 5 CEBDRM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000211463113 326863399 /nfs/dbraw/zinc/86/33/99/326863399.db2.gz JMZYDYLAHDPGRS-SECBINFHSA-N -1 0 294.307 2.297 20 5 CEBDRM C[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000211848460 326865777 /nfs/dbraw/zinc/86/57/77/326865777.db2.gz YYEMOVULMQVACZ-QMMMGPOBSA-N -1 0 250.254 2.139 20 5 CEBDRM CCCSCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183912145 520560876 /nfs/dbraw/zinc/56/08/76/520560876.db2.gz OWTTYDGVYAODTB-UHFFFAOYSA-N -1 0 270.310 2.382 20 5 CEBDRM CC[C@@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000182911501 523562527 /nfs/dbraw/zinc/56/25/27/523562527.db2.gz XPOLUOSGKYGKQE-MWLCHTKSSA-N -1 0 294.307 2.444 20 5 CEBDRM CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC(=O)[O-] ZINC000262970909 524057481 /nfs/dbraw/zinc/05/74/81/524057481.db2.gz AIYMFOBREMBCOF-UHFFFAOYSA-N -1 0 295.295 2.144 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)O[C@H](C(=O)[O-])C(C)C ZINC000738483063 574462793 /nfs/dbraw/zinc/46/27/93/574462793.db2.gz VTGKGMDVSNNAMG-NSHDSACASA-N -1 0 281.264 2.169 20 5 CEBDRM O=C([O-])CCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000738585828 574482796 /nfs/dbraw/zinc/48/27/96/574482796.db2.gz FUTMMRGYZFSYKM-UHFFFAOYSA-N -1 0 275.264 2.323 20 5 CEBDRM CC(C)[C@H](CNc1ccsc1[N+](=O)[O-])NC(=O)[O-] ZINC000738786707 574707010 /nfs/dbraw/zinc/70/70/10/574707010.db2.gz CBBFUYVUYDKOTB-QMMMGPOBSA-N -1 0 273.314 2.360 20 5 CEBDRM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C(=O)[O-])CC1 ZINC000739056768 574891581 /nfs/dbraw/zinc/89/15/81/574891581.db2.gz FYKYEQJIMJQUMF-LLVKDONJSA-N -1 0 293.323 2.342 20 5 CEBDRM C[C@@H]1CN(c2cccc(F)c2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739194885 574899128 /nfs/dbraw/zinc/89/91/28/574899128.db2.gz QTTCZPOFBIZONP-RKDXNWHRSA-N -1 0 297.286 2.311 20 5 CEBDRM O=C(OCC1(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000739338510 574911876 /nfs/dbraw/zinc/91/18/76/574911876.db2.gz GVTDCBLPENRYFO-UHFFFAOYSA-N -1 0 278.186 2.422 20 5 CEBDRM CN(CC1CCN(c2ccsc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739664946 574930087 /nfs/dbraw/zinc/93/00/87/574930087.db2.gz UITCWRLORUOUHX-UHFFFAOYSA-N -1 0 299.352 2.483 20 5 CEBDRM CN(CCCNC(=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000739678721 574930933 /nfs/dbraw/zinc/93/09/33/574930933.db2.gz JVLBMBJFHHVWMA-UHFFFAOYSA-N -1 0 287.703 2.342 20 5 CEBDRM Cc1c(NC(=O)CC(C)(C)NC(=O)[O-])cccc1[N+](=O)[O-] ZINC000740046051 574939865 /nfs/dbraw/zinc/93/98/65/574939865.db2.gz NQTUVINVFJIAFS-UHFFFAOYSA-N -1 0 295.295 2.278 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)NC(=O)[O-] ZINC000740152218 574945277 /nfs/dbraw/zinc/94/52/77/574945277.db2.gz IAVBKMMFOSIYTB-UHFFFAOYSA-N -1 0 295.295 2.278 20 5 CEBDRM O=C([O-])N1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000740515224 574957265 /nfs/dbraw/zinc/95/72/65/574957265.db2.gz NJLUEUHXSQHPEG-JTQLQIEISA-N -1 0 279.296 2.397 20 5 CEBDRM CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)[O-] ZINC000820326133 597627578 /nfs/dbraw/zinc/62/75/78/597627578.db2.gz WZOWZQKFHSZNHX-UHFFFAOYSA-N -1 0 299.304 2.338 20 5 CEBDRM C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000820154809 598161500 /nfs/dbraw/zinc/16/15/00/598161500.db2.gz YRZGARGRGIRPJH-RXMQYKEDSA-N -1 0 267.266 2.090 20 5 CEBDRM O=C([O-])[C@@H]1C[C@@H]1C(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000739558530 600209521 /nfs/dbraw/zinc/20/95/21/600209521.db2.gz MDOFFNIPALPMNL-BDAKNGLRSA-N -1 0 299.666 2.012 20 5 CEBDRM O=C([O-])[C@@H]1CC12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000405457935 600283523 /nfs/dbraw/zinc/28/35/23/600283523.db2.gz ZGFRSHHSXUMXQQ-LBPRGKRZSA-N -1 0 276.292 2.286 20 5 CEBDRM Cc1ccnc(NC2CCC(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000070495549 600623727 /nfs/dbraw/zinc/62/37/27/600623727.db2.gz RFNQDKLELHJYRD-UHFFFAOYSA-N -1 0 279.296 2.354 20 5 CEBDRM C/C(=C\COc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000088629770 601098113 /nfs/dbraw/zinc/09/81/13/601098113.db2.gz RJYDHXJRTDEJCZ-WEVVVXLNSA-N -1 0 251.238 2.313 20 5 CEBDRM CC[C@](C)(CO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000828685767 601140604 /nfs/dbraw/zinc/14/06/04/601140604.db2.gz QXHOUBSHBXOQPV-HZRUHFOJSA-N -1 0 294.307 2.266 20 5 CEBDRM Cc1ccc(N[C@@H]2CCCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000832949432 601199330 /nfs/dbraw/zinc/19/93/30/601199330.db2.gz WVBKNWMTNZMYOF-SNVBAGLBSA-N -1 0 279.296 2.458 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)[O-])CC2)c1 ZINC000832957839 601560326 /nfs/dbraw/zinc/56/03/26/601560326.db2.gz NUZUZRICTHKIIE-UHFFFAOYSA-N -1 0 279.296 2.458 20 5 CEBDRM Cc1ccc(N2C[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000223794864 601562682 /nfs/dbraw/zinc/56/26/82/601562682.db2.gz MUJNDOSCWYHDJD-UWVGGRQHSA-N -1 0 264.281 2.060 20 5 CEBDRM CC(=O)c1ccc(NCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000825951496 601681343 /nfs/dbraw/zinc/68/13/43/601681343.db2.gz LTLXIFNOFNWMKZ-UHFFFAOYSA-N -1 0 280.280 2.320 20 5 CEBDRM COc1cc(NC[C@H]2CCCN2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000829196703 603187757 /nfs/dbraw/zinc/18/77/57/603187757.db2.gz AZRMZJZKJJWLMZ-SNVBAGLBSA-N -1 0 295.295 2.158 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(CNC(=O)[O-])CC2)c1 ZINC000830428308 603549518 /nfs/dbraw/zinc/54/95/18/603549518.db2.gz TVILQJPLPBJWSC-UHFFFAOYSA-N -1 0 293.323 2.387 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000825280788 604055604 /nfs/dbraw/zinc/05/56/04/604055604.db2.gz LJWLDLJKBWXHOS-MNOVXSKESA-N -1 0 293.323 2.467 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000825280787 604055685 /nfs/dbraw/zinc/05/56/85/604055685.db2.gz LJWLDLJKBWXHOS-GHMZBOCLSA-N -1 0 293.323 2.467 20 5 CEBDRM CCOc1cc(N[C@@H]2CCN(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000827417977 604218185 /nfs/dbraw/zinc/21/81/85/604218185.db2.gz HNGCHRJQHOZSOG-SNVBAGLBSA-N -1 0 295.295 2.158 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC2(C(=O)[O-])CCCC2)n1 ZINC000165376369 604269933 /nfs/dbraw/zinc/26/99/33/604269933.db2.gz SBMWENVCQGXUJB-UHFFFAOYSA-N -1 0 279.296 2.355 20 5 CEBDRM O=C([O-])c1cc(OC[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000708514973 604401904 /nfs/dbraw/zinc/40/19/04/604401904.db2.gz WVMJMQSELSJLRP-SECBINFHSA-N -1 0 281.264 2.098 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000830427646 604891614 /nfs/dbraw/zinc/89/16/14/604891614.db2.gz LQMTYCMJZMWOAX-SNVBAGLBSA-N -1 0 294.311 2.100 20 5 CEBDRM C/C(=C\COC(=O)Cc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000833386153 604936430 /nfs/dbraw/zinc/93/64/30/604936430.db2.gz VSZIIEAMBFPWPQ-RMKNXTFCSA-N -1 0 293.275 2.020 20 5 CEBDRM CC(C)(CC(=O)[O-])CC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000833455595 605096238 /nfs/dbraw/zinc/09/62/38/605096238.db2.gz VPDVNGYDXWRLLM-UHFFFAOYSA-N -1 0 281.264 2.391 20 5 CEBDRM C[C@H](NC(=O)[O-])[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000833820671 605499858 /nfs/dbraw/zinc/49/98/58/605499858.db2.gz ZJOLGLJWVYNUDM-IUCAKERBSA-N -1 0 297.286 2.216 20 5 CEBDRM CSCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000890874177 623026214 /nfs/dbraw/zinc/02/62/14/623026214.db2.gz NJKJMMWRSYNQEG-UHFFFAOYSA-N -1 0 284.337 2.172 20 5 CEBDRM CS[C@@H]1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000235112081 624619132 /nfs/dbraw/zinc/61/91/32/624619132.db2.gz WIGNODSONVKPAS-HTQZYQBOSA-N -1 0 297.336 2.384 20 5 CEBDRM CS[C@H](C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000797208911 630174737 /nfs/dbraw/zinc/17/47/37/630174737.db2.gz KRGXSZGSTHNRCX-RNFRBKRXSA-N -1 0 258.299 2.220 20 5 CEBDRM O=C(O[C@@H]1CCCC12CCOCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000800426849 631122212 /nfs/dbraw/zinc/12/22/12/631122212.db2.gz ZWWKLMIFOPXNTQ-LLVKDONJSA-N -1 0 294.307 2.429 20 5 CEBDRM CN(CCCF)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000899812187 633018253 /nfs/dbraw/zinc/01/82/53/633018253.db2.gz WBXJKBMYSGJZAA-UHFFFAOYSA-N -1 0 290.678 2.385 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CC(=O)[O-] ZINC000817865358 633747439 /nfs/dbraw/zinc/74/74/39/633747439.db2.gz LPCIJMFBQHNTHK-UHFFFAOYSA-N -1 0 294.307 2.195 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000900988479 633917369 /nfs/dbraw/zinc/91/73/69/633917369.db2.gz XRTFGUAXVJFILV-ZDUSSCGKSA-N -1 0 297.286 2.210 20 5 CEBDRM O=C([O-])Cc1ccc(N[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000910354779 638025097 /nfs/dbraw/zinc/02/50/97/638025097.db2.gz BVJFWDRJSZROFW-LLVKDONJSA-N -1 0 262.265 2.186 20 5 CEBDRM CCCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)C(=O)OC ZINC000836028428 638500749 /nfs/dbraw/zinc/50/07/49/638500749.db2.gz BTQGQPQDXYXKCT-SNVBAGLBSA-N -1 0 298.295 2.202 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C(=O)[O-])C1 ZINC000841488081 639775184 /nfs/dbraw/zinc/77/51/84/639775184.db2.gz HQXJPXPGDCQRAY-MRVPVSSYSA-N -1 0 284.699 2.468 20 5 CEBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC(C(=O)[O-])C1 ZINC000841510011 639780364 /nfs/dbraw/zinc/78/03/64/639780364.db2.gz YSYKHWDRMQJVSV-UHFFFAOYSA-N -1 0 270.672 2.077 20 5 CEBDRM O=C(OCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])[n-]1 ZINC000918491948 640964421 /nfs/dbraw/zinc/96/44/21/640964421.db2.gz KDDITZKMEUVLQK-UHFFFAOYSA-N -1 0 290.231 2.009 20 5 CEBDRM Nc1ccc([N+](=O)[O-])c(NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC000849348963 642340485 /nfs/dbraw/zinc/34/04/85/642340485.db2.gz WXOWMRKCIWEFKM-VIFPVBQESA-N -1 0 279.296 2.090 20 5 CEBDRM O=C(OCC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000851380619 643002900 /nfs/dbraw/zinc/00/29/00/643002900.db2.gz ZDCRLVIGGNULQJ-LURJTMIESA-N -1 0 260.196 2.125 20 5 CEBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc[nH]1 ZINC000760959613 645217621 /nfs/dbraw/zinc/21/76/21/645217621.db2.gz UPVOWUCZLVBSDT-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000871033633 648985113 /nfs/dbraw/zinc/98/51/13/648985113.db2.gz DSADOAZLLJSGBO-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM O=C(Nc1ccc(O)cc1F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000124631982 649719378 /nfs/dbraw/zinc/71/93/78/649719378.db2.gz OGUJWZMOMFATNR-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C(NOCc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130375583 652246957 /nfs/dbraw/zinc/24/69/57/652246957.db2.gz PVIFSHAYWHXYTD-UHFFFAOYSA-N -1 0 288.259 2.162 20 5 CEBDRM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1 ZINC000300131540 806478763 /nfs/dbraw/zinc/47/87/63/806478763.db2.gz WVGBAFAQJMJRRX-XDTLVQLUSA-N -1 0 276.292 2.284 20 5 CEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000712948374 802342318 /nfs/dbraw/zinc/34/23/18/802342318.db2.gz CWDUWPSUOVULNG-DVYJOKAKSA-N -1 0 262.265 2.260 20 5 CEBDRM NC(=O)Cc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210397718 802679210 /nfs/dbraw/zinc/67/92/10/802679210.db2.gz FPHLUBUBJIDVEW-UHFFFAOYSA-N -1 0 287.275 2.072 20 5 CEBDRM O=C(NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001118730640 815038152 /nfs/dbraw/zinc/03/81/52/815038152.db2.gz IEDBDQYFTLEWJY-UHFFFAOYSA-N -1 0 298.245 2.218 20 5 CEBDRM CCC[C@@H](CC(=O)OC)Oc1cc([O-])ccc1[N+](=O)[O-] ZINC001225490808 804885406 /nfs/dbraw/zinc/88/54/06/804885406.db2.gz LFVGYBHIQDYROB-JTQLQIEISA-N -1 0 283.280 2.411 20 5 CEBDRM O=C([O-])[C@]12CN(c3ccncc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001120427584 815222274 /nfs/dbraw/zinc/22/22/74/815222274.db2.gz NIWRJJNYCCGFNL-QMTHXVAHSA-N -1 0 291.307 2.071 20 5 CEBDRM Cc1ccc(NC2CC(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000703422605 809651878 /nfs/dbraw/zinc/65/18/78/809651878.db2.gz GYHKKEKIVOMOQV-UHFFFAOYSA-N -1 0 250.254 2.178 20 5 CEBDRM COc1cc(NCc2cc(=O)[n-]o2)cc([N+](=O)[O-])c1C ZINC001169485202 811530797 /nfs/dbraw/zinc/53/07/97/811530797.db2.gz JEUPWVVQWLFUNK-UHFFFAOYSA-N -1 0 279.252 2.218 20 5 CEBDRM O=[N+]([O-])c1ncc(-c2nnc(C3CCC3)o2)cc1[O-] ZINC001255233213 813026677 /nfs/dbraw/zinc/02/66/77/813026677.db2.gz PPJZCLRFWUUJIO-UHFFFAOYSA-N -1 0 262.225 2.013 20 5 CEBDRM Cc1ccc(NC(=O)c2ccc(O)cn2)cc1[N+](=O)[O-] ZINC001136102848 813611844 /nfs/dbraw/zinc/61/18/44/813611844.db2.gz IVANNFUKWXMLBV-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cnc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174502485 816029182 /nfs/dbraw/zinc/02/91/82/816029182.db2.gz QLFSIQOQOGKDET-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM CCOc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)no1 ZINC001174503386 816030614 /nfs/dbraw/zinc/03/06/14/816030614.db2.gz MXGIBEYNHUHHKJ-UHFFFAOYSA-N -1 0 293.235 2.423 20 5 CEBDRM CCN(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567615889 299067030 /nfs/dbraw/zinc/06/70/30/299067030.db2.gz LIHGDGSATDMJCA-UHFFFAOYSA-N -1 0 272.688 2.436 20 5 CEBDRM CCC[C@](C)(NC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000036337540 361841305 /nfs/dbraw/zinc/84/13/05/361841305.db2.gz JWTVEOCDAUCWDL-AWEZNQCLSA-N -1 0 294.307 2.276 20 5 CEBDRM O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000601776687 346895298 /nfs/dbraw/zinc/89/52/98/346895298.db2.gz RBFCUZOARYOAOK-HZMBPMFUSA-N -1 0 276.292 2.363 20 5 CEBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1F)CCSC2 ZINC000601943461 346936007 /nfs/dbraw/zinc/93/60/07/346936007.db2.gz QFIJKOBCALOINX-QMMMGPOBSA-N -1 0 295.295 2.190 20 5 CEBDRM O=C([O-])c1cc(NC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000044417646 343471709 /nfs/dbraw/zinc/47/17/09/343471709.db2.gz SDUXQXZOWMXKOX-JTQLQIEISA-N -1 0 280.280 2.274 20 5 CEBDRM O=C(N[C@@H]1CCC[C@H](F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000567948363 299100325 /nfs/dbraw/zinc/10/03/25/299100325.db2.gz BWORYLNISFLYBM-DTWKUNHWSA-N -1 0 282.271 2.311 20 5 CEBDRM Cc1cnc(N2CCC[C@H](CCC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000090691693 344142781 /nfs/dbraw/zinc/14/27/81/344142781.db2.gz YHHJMVBPUZPHRF-LLVKDONJSA-N -1 0 293.323 2.379 20 5 CEBDRM Cc1nc(NC2(CC(=O)[O-])CCC2)ccc1[N+](=O)[O-] ZINC000123526542 344310601 /nfs/dbraw/zinc/31/06/01/344310601.db2.gz LPVMJAGJLQZJAN-UHFFFAOYSA-N -1 0 265.269 2.108 20 5 CEBDRM COC(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000132403508 344363114 /nfs/dbraw/zinc/36/31/14/344363114.db2.gz LUUBUXWDTYJEJJ-UHFFFAOYSA-N -1 0 268.269 2.130 20 5 CEBDRM COc1ccc([N+](=O)[O-])c(NC[C@@H](C)CC(=O)[O-])c1 ZINC000147442681 344412298 /nfs/dbraw/zinc/41/22/98/344412298.db2.gz JVEFJSWQZVCLMP-QMMMGPOBSA-N -1 0 268.269 2.126 20 5 CEBDRM C[C@@H]1C[C@H]1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000159369236 344454625 /nfs/dbraw/zinc/45/46/25/344454625.db2.gz VGKQHQAAZSRJDC-APPZFPTMSA-N -1 0 250.254 2.361 20 5 CEBDRM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000164564375 344472373 /nfs/dbraw/zinc/47/23/73/344472373.db2.gz MLWQZZXUDXZFDC-PRHODGIISA-N -1 0 298.320 2.030 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NCC2CCCC2)n1 ZINC000166672679 344476356 /nfs/dbraw/zinc/47/63/56/344476356.db2.gz OHKLZMCZJQOHEY-UHFFFAOYSA-N -1 0 265.269 2.290 20 5 CEBDRM C[C@@H]1C[C@H](C)CN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000166653004 344476585 /nfs/dbraw/zinc/47/65/85/344476585.db2.gz BJGAYRBUBORIGL-DTORHVGOSA-N -1 0 279.296 2.170 20 5 CEBDRM O=C(NC1(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000229720892 344568831 /nfs/dbraw/zinc/56/88/31/344568831.db2.gz TYEHNFTYIRTDFO-UHFFFAOYSA-N -1 0 290.197 2.125 20 5 CEBDRM CC(C)CCN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000300269012 344698795 /nfs/dbraw/zinc/69/87/95/344698795.db2.gz VGTLGCADHMLPED-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C1CC1 ZINC000323834425 344753684 /nfs/dbraw/zinc/75/36/84/344753684.db2.gz IUESOWWZNLYCHB-JTQLQIEISA-N -1 0 264.281 2.219 20 5 CEBDRM CCN(CCSC)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000592917928 345414733 /nfs/dbraw/zinc/41/47/33/345414733.db2.gz MTSATUMOTBJLSY-UHFFFAOYSA-N -1 0 284.337 2.126 20 5 CEBDRM C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000592980440 345418356 /nfs/dbraw/zinc/41/83/56/345418356.db2.gz GNBZXNPQWLFRRY-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM O=C([O-])[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000592981092 345418547 /nfs/dbraw/zinc/41/85/47/345418547.db2.gz TXUIBYSGFKZFCQ-NKWVEPMBSA-N -1 0 256.283 2.322 20 5 CEBDRM CC[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061406 345430826 /nfs/dbraw/zinc/43/08/26/345430826.db2.gz KGPYSDDAGQKOJY-ZWNOBZJWSA-N -1 0 280.324 2.300 20 5 CEBDRM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)CC(F)F ZINC000592825628 345400319 /nfs/dbraw/zinc/40/03/19/345400319.db2.gz CAXJKMGTGMMQBF-SSDOTTSWSA-N -1 0 288.250 2.322 20 5 CEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccncc1 ZINC000105565113 232193981 /nfs/dbraw/zinc/19/39/81/232193981.db2.gz FWXRWBYQTHWYBM-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM CC1=CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593737503 345530243 /nfs/dbraw/zinc/53/02/43/345530243.db2.gz MMNMMROYUMTXHV-UHFFFAOYSA-N -1 0 276.292 2.445 20 5 CEBDRM COCC1(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000593946318 345555087 /nfs/dbraw/zinc/55/50/87/345555087.db2.gz DAZSGUDLNIWHFO-UHFFFAOYSA-N -1 0 294.307 2.440 20 5 CEBDRM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000059151978 362646993 /nfs/dbraw/zinc/64/69/93/362646993.db2.gz SCKNJDFHRITCGN-LURJTMIESA-N -1 0 262.187 2.334 20 5 CEBDRM Cc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)cc1[N+](=O)[O-] ZINC000059881620 362653078 /nfs/dbraw/zinc/65/30/78/362653078.db2.gz YVIFGVAIAMRLBO-UHFFFAOYSA-N -1 0 294.307 2.086 20 5 CEBDRM CCc1ccc(C(=O)N(CC)[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000595282937 345753764 /nfs/dbraw/zinc/75/37/64/345753764.db2.gz SYXSOEMUPUVSAQ-SECBINFHSA-N -1 0 294.307 2.092 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]1C(F)(F)F ZINC000595489505 345794509 /nfs/dbraw/zinc/79/45/09/345794509.db2.gz TVDGWYXMPPXFKL-SNVBAGLBSA-N -1 0 276.214 2.437 20 5 CEBDRM CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C(=O)[O-])C1CCC1 ZINC000595977217 345920068 /nfs/dbraw/zinc/92/00/68/345920068.db2.gz GSHHPMJNDZTJJG-SNVBAGLBSA-N -1 0 296.327 2.032 20 5 CEBDRM CC[C@@H](C)CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000597977159 346262271 /nfs/dbraw/zinc/26/22/71/346262271.db2.gz HDMGSPPIZCKIPF-SECBINFHSA-N -1 0 266.297 2.466 20 5 CEBDRM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000599750325 346576861 /nfs/dbraw/zinc/57/68/61/346576861.db2.gz JLOOOONOLACNMN-LOKDSWTASA-N -1 0 294.307 2.298 20 5 CEBDRM CCC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1[O-])OCC ZINC000600174675 346615202 /nfs/dbraw/zinc/61/52/02/346615202.db2.gz MDDFIEHOUNPMBJ-JTQLQIEISA-N -1 0 296.323 2.235 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N(C1CC1)C1CC1 ZINC000600360431 346635390 /nfs/dbraw/zinc/63/53/90/346635390.db2.gz PBVZWSNNIYCPRZ-UHFFFAOYSA-N -1 0 262.265 2.067 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611558439 347794908 /nfs/dbraw/zinc/79/49/08/347794908.db2.gz LKFWKKUDMNVJKP-MRVPVSSYSA-N -1 0 286.234 2.218 20 5 CEBDRM O=C(N[C@@H]1CCC(F)(F)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535298 347792485 /nfs/dbraw/zinc/79/24/85/347792485.db2.gz CRWZXNNVOSMEQV-SSDOTTSWSA-N -1 0 286.234 2.218 20 5 CEBDRM O=C(N[C@H]1CCC(F)(F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612555262 347901071 /nfs/dbraw/zinc/90/10/71/347901071.db2.gz ODMADSGCMJOSCC-QMMMGPOBSA-N -1 0 286.234 2.218 20 5 CEBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC12CCC2 ZINC000614271679 348171546 /nfs/dbraw/zinc/17/15/46/348171546.db2.gz OPVYYAZOSKMZKE-SECBINFHSA-N -1 0 262.265 2.429 20 5 CEBDRM C[C@@H](S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000618020531 348854564 /nfs/dbraw/zinc/85/45/64/348854564.db2.gz DBONCKJAVVWFEU-JGVFFNPUSA-N -1 0 298.320 2.128 20 5 CEBDRM CO[C@@](C)(C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC1 ZINC000291960718 198117997 /nfs/dbraw/zinc/11/79/97/198117997.db2.gz RKXWLIKKXKXDDM-CYBMUJFWSA-N -1 0 280.280 2.054 20 5 CEBDRM Cc1ccc([C@H](C)NC(=O)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000569343520 299196890 /nfs/dbraw/zinc/19/68/90/299196890.db2.gz FPCOXFWWRKXLSI-VIFPVBQESA-N -1 0 294.307 2.191 20 5 CEBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C(C)C ZINC000132421044 366143290 /nfs/dbraw/zinc/14/32/90/366143290.db2.gz LITJCYXZUOVKCX-UHFFFAOYSA-N -1 0 252.270 2.171 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(F)F ZINC000452265684 283235768 /nfs/dbraw/zinc/23/57/68/283235768.db2.gz QBBLEAKNNGNYIH-MRVPVSSYSA-N -1 0 274.223 2.074 20 5 CEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)(F)F ZINC000452459890 283293850 /nfs/dbraw/zinc/29/38/50/283293850.db2.gz PYJHKJSOVSPBTR-LURJTMIESA-N -1 0 274.223 2.074 20 5 CEBDRM O=C([O-])C1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000578515136 366504751 /nfs/dbraw/zinc/50/47/51/366504751.db2.gz LKGRDIVOQBSJTF-UHFFFAOYSA-N -1 0 290.319 2.424 20 5 CEBDRM Cc1cnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000579261065 366620598 /nfs/dbraw/zinc/62/05/98/366620598.db2.gz XWTVCSWOYFKNNL-UHFFFAOYSA-N -1 0 299.333 2.161 20 5 CEBDRM COC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000339084122 366646952 /nfs/dbraw/zinc/64/69/52/366646952.db2.gz QRHZPQILHSQDIU-LBPRGKRZSA-N -1 0 292.291 2.371 20 5 CEBDRM CC[C@H](C)[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237030845 370680518 /nfs/dbraw/zinc/68/05/18/370680518.db2.gz UNUMJUISQNYWBZ-DTWKUNHWSA-N -1 0 294.307 2.457 20 5 CEBDRM O=C([O-])CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000019430058 361534989 /nfs/dbraw/zinc/53/49/89/361534989.db2.gz PXSMMPLBZCZWBR-UHFFFAOYSA-N -1 0 289.085 2.244 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)ccc1O ZINC000092546778 364080479 /nfs/dbraw/zinc/08/04/79/364080479.db2.gz ZLQPWLAQHPNUKM-UHFFFAOYSA-N -1 0 292.222 2.397 20 5 CEBDRM O=C([O-])[C@@H]1CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000019386913 304115458 /nfs/dbraw/zinc/11/54/58/304115458.db2.gz UNZROBJBHGVYMC-VIFPVBQESA-N -1 0 270.672 2.302 20 5 CEBDRM Cc1cc(N[C@H]2CO[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583146438 367007774 /nfs/dbraw/zinc/00/77/74/367007774.db2.gz ZHBVCTPVGCEHEP-RKDXNWHRSA-N -1 0 280.280 2.191 20 5 CEBDRM CC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCC1 ZINC000166069567 367317335 /nfs/dbraw/zinc/31/73/35/367317335.db2.gz IHPMSINZGCYSAW-UHFFFAOYSA-N -1 0 250.254 2.429 20 5 CEBDRM O=C(Nc1cnn(C(F)F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343532534 367866665 /nfs/dbraw/zinc/86/66/65/367866665.db2.gz HZFFYJOTHHBOPP-UHFFFAOYSA-N -1 0 298.205 2.144 20 5 CEBDRM CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000182094303 368523507 /nfs/dbraw/zinc/52/35/07/368523507.db2.gz FXNQTWWFLMZCAM-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM CC(C)[C@H](C)CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000182811182 368593189 /nfs/dbraw/zinc/59/31/89/368593189.db2.gz XBFYFUZYFCIQSK-SECBINFHSA-N -1 0 266.297 2.322 20 5 CEBDRM Cc1cncc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000183064279 368608217 /nfs/dbraw/zinc/60/82/17/368608217.db2.gz MAWMWCWPCSBYDL-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM O=[N+]([O-])c1ccc(-c2noc(=N[C@H]3C[C@H]3C(F)F)[n-]2)cc1 ZINC000343809286 216926337 /nfs/dbraw/zinc/92/63/37/216926337.db2.gz NPKNEKGENBVABY-BDAKNGLRSA-N -1 0 296.233 2.132 20 5 CEBDRM Cc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000352019393 369660454 /nfs/dbraw/zinc/66/04/54/369660454.db2.gz BBHZINMANFBKNN-WAYWQWQTSA-N -1 0 273.248 2.275 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000191935410 369755437 /nfs/dbraw/zinc/75/54/37/369755437.db2.gz HLZATGFTIDJLBF-SECBINFHSA-N -1 0 296.348 2.268 20 5 CEBDRM COc1cc(N[C@@H](C)CC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000227855188 370386126 /nfs/dbraw/zinc/38/61/26/370386126.db2.gz PGKXMNQSGBOIAW-LURJTMIESA-N -1 0 272.232 2.018 20 5 CEBDRM CCc1nc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)o1 ZINC000354616161 370435591 /nfs/dbraw/zinc/43/55/91/370435591.db2.gz QNGDDEDYJAADOI-UHFFFAOYSA-N -1 0 291.263 2.412 20 5 CEBDRM CC1=CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000230812775 370467493 /nfs/dbraw/zinc/46/74/93/370467493.db2.gz AKAUWJLISCRAEO-UHFFFAOYSA-N -1 0 262.265 2.093 20 5 CEBDRM O=C(NCCc1ccsc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000236561183 370592337 /nfs/dbraw/zinc/59/23/37/370592337.db2.gz LBIBPLFQAQSECF-UHFFFAOYSA-N -1 0 292.316 2.334 20 5 CEBDRM C[C@H](CC1CC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235426466 370564491 /nfs/dbraw/zinc/56/44/91/370564491.db2.gz KPIIFDNKJUULAN-MRVPVSSYSA-N -1 0 264.281 2.219 20 5 CEBDRM C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(F)(F)F ZINC000358953014 371278966 /nfs/dbraw/zinc/27/89/66/371278966.db2.gz NHYVHVFRCNMMRV-ZCFIWIBFSA-N -1 0 292.213 2.229 20 5 CEBDRM CC[C@@H](C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])OC ZINC000362977112 372602782 /nfs/dbraw/zinc/60/27/82/372602782.db2.gz OSNIMSYPBUROJY-NOZJJQNGSA-N -1 0 296.323 2.091 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC2(C1)CCCC2 ZINC000366692412 373106382 /nfs/dbraw/zinc/10/63/82/373106382.db2.gz SASQAGDDYAMBIR-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC[C@@H]1C[C@H]1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000387977284 375283137 /nfs/dbraw/zinc/28/31/37/375283137.db2.gz HMZAFHQCRVFJIY-SFYZADRCSA-N -1 0 265.269 2.146 20 5 CEBDRM CC(C)[C@H](C)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000389217069 375302102 /nfs/dbraw/zinc/30/21/02/375302102.db2.gz VLZHLVHGQMKTJX-MRVPVSSYSA-N -1 0 267.285 2.392 20 5 CEBDRM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC000282451328 375488113 /nfs/dbraw/zinc/48/81/13/375488113.db2.gz KCZWHRKLHCDMPX-RWYTXXIDSA-N -1 0 280.280 2.052 20 5 CEBDRM CCC(=O)c1ccc(N[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000416428270 376067622 /nfs/dbraw/zinc/06/76/22/376067622.db2.gz TWDMJXZSUIWDBK-MRVPVSSYSA-N -1 0 280.280 2.463 20 5 CEBDRM Cc1cc(NCC2=CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563209309 377126582 /nfs/dbraw/zinc/12/65/82/377126582.db2.gz DKPXGVGLKRVCAX-UHFFFAOYSA-N -1 0 292.291 2.360 20 5 CEBDRM C[C@@H](C1CC1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000332131440 377523556 /nfs/dbraw/zinc/52/35/56/377523556.db2.gz JXPDCPLZUHLTQV-QMMMGPOBSA-N -1 0 264.281 2.171 20 5 CEBDRM CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184623173 249332882 /nfs/dbraw/zinc/33/28/82/249332882.db2.gz ZLICOZWESRDXQR-QMMMGPOBSA-N -1 0 252.270 2.075 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000293777747 377753063 /nfs/dbraw/zinc/75/30/63/377753063.db2.gz ZADHIKWQVNLJBR-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM CC[C@H](C)CONC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000293809201 377766673 /nfs/dbraw/zinc/76/66/73/377766673.db2.gz UFKBCCZXNVBVOD-QMMMGPOBSA-N -1 0 268.269 2.008 20 5 CEBDRM O=C(NCC1CC(F)(F)C1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000293962567 377850276 /nfs/dbraw/zinc/85/02/76/377850276.db2.gz JOKJBAICKRVOCD-UHFFFAOYSA-N -1 0 286.234 2.076 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(CF)CC1 ZINC000295930979 378359029 /nfs/dbraw/zinc/35/90/29/378359029.db2.gz JWFZYAVCOSUSAX-UHFFFAOYSA-N -1 0 282.271 2.122 20 5 CEBDRM Cc1ccncc1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000548138555 380489305 /nfs/dbraw/zinc/48/93/05/380489305.db2.gz VWSJBJBQMZSPNB-UHFFFAOYSA-N -1 0 287.275 2.280 20 5 CEBDRM Cc1ccc(C(=O)N=c2cc3ccccn3[nH]2)cc1[N+](=O)[O-] ZINC000553322856 380734637 /nfs/dbraw/zinc/73/46/37/380734637.db2.gz BXMLHCUYPXSINS-UHFFFAOYSA-N -1 0 296.286 2.225 20 5 CEBDRM Cc1cc(N[C@H]2CCOC[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574991716 299546335 /nfs/dbraw/zinc/54/63/35/299546335.db2.gz GCHHFWJUYFSUGC-KOLCDFICSA-N -1 0 294.307 2.438 20 5 CEBDRM Cc1cc([N-]S(=O)(=O)c2cccnc2)ccc1[N+](=O)[O-] ZINC000093930703 184745369 /nfs/dbraw/zinc/74/53/69/184745369.db2.gz GRZSZJULTJJMSM-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM C[C@@H]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000300241272 394454124 /nfs/dbraw/zinc/45/41/24/394454124.db2.gz FPCZCHYFNQDXOS-RKDXNWHRSA-N -1 0 264.281 2.219 20 5 CEBDRM CC[C@H](C)[C@H](OC)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000356702591 394590880 /nfs/dbraw/zinc/59/08/80/394590880.db2.gz RBILJSVTXFGZBH-UFBFGSQYSA-N -1 0 282.296 2.300 20 5 CEBDRM C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1C ZINC000119131152 394765010 /nfs/dbraw/zinc/76/50/10/394765010.db2.gz LRIHZGMSFLLNRM-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM Cc1ccnc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000130326945 394885759 /nfs/dbraw/zinc/88/57/59/394885759.db2.gz GDGXCSSCHUFTTF-UHFFFAOYSA-N -1 0 273.248 2.256 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](C(=O)[O-])C1 ZINC000158614360 395050577 /nfs/dbraw/zinc/05/05/77/395050577.db2.gz JUTCYBJIZXWDSB-JTQLQIEISA-N -1 0 264.281 2.204 20 5 CEBDRM O=C(Nc1nc(C2CC2)c[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436710697 395147256 /nfs/dbraw/zinc/14/72/56/395147256.db2.gz XQPJEBRKQVSCSW-UHFFFAOYSA-N -1 0 288.263 2.153 20 5 CEBDRM CC(C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436955413 395167181 /nfs/dbraw/zinc/16/71/81/395167181.db2.gz FMRMOILFMZHKNZ-VIFPVBQESA-N -1 0 266.297 2.465 20 5 CEBDRM O=C(NC[C@H]1Cc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179438742 395193962 /nfs/dbraw/zinc/19/39/62/395193962.db2.gz RSASJRMZFHGEQK-LLVKDONJSA-N -1 0 298.298 2.370 20 5 CEBDRM CC[C@H](C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000394337427 395205929 /nfs/dbraw/zinc/20/59/29/395205929.db2.gz ZBOJHHZKVFHQTA-GZMMTYOYSA-N -1 0 297.311 2.161 20 5 CEBDRM C[C@@H](C[C@H]1CCCO1)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568396400 395557877 /nfs/dbraw/zinc/55/78/77/395557877.db2.gz HDMDDAGFFCRQNK-DTWKUNHWSA-N -1 0 295.295 2.058 20 5 CEBDRM C[C@H]1COCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574457076 395630396 /nfs/dbraw/zinc/63/03/96/395630396.db2.gz RQFBQTBFOOJBEW-VHSXEESVSA-N -1 0 294.307 2.378 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000158098553 299753882 /nfs/dbraw/zinc/75/38/82/299753882.db2.gz LPHNMROVVNZBTJ-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(NC[C@@H]1CCCCS1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000217316000 153295433 /nfs/dbraw/zinc/29/54/33/153295433.db2.gz HXBZUCRELKACOA-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-] ZINC000263195438 154030647 /nfs/dbraw/zinc/03/06/47/154030647.db2.gz LSGBOQVFBHYOLT-ZJUUUORDSA-N -1 0 294.307 2.051 20 5 CEBDRM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000263398321 154076126 /nfs/dbraw/zinc/07/61/26/154076126.db2.gz IEFMOLZUFZKWAW-SNVBAGLBSA-N -1 0 292.291 2.098 20 5 CEBDRM CCCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000183317405 165390719 /nfs/dbraw/zinc/39/07/19/165390719.db2.gz MQQOYJXNIRNFTI-UHFFFAOYSA-N -1 0 290.279 2.159 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000020362129 171161202 /nfs/dbraw/zinc/16/12/02/171161202.db2.gz HCXKSCULFKGPIS-SNVBAGLBSA-N -1 0 294.307 2.132 20 5 CEBDRM CN(CCCC(=O)[O-])c1ccc([N+](=O)[O-])c2cnccc21 ZINC000035332387 172130977 /nfs/dbraw/zinc/13/09/77/172130977.db2.gz JDEOKZGTHSCKFT-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000194738838 299828835 /nfs/dbraw/zinc/82/88/35/299828835.db2.gz NNVYKLKVRMIBQV-VIFPVBQESA-N -1 0 264.281 2.173 20 5 CEBDRM C[C@H]1CCCCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235573688 270315021 /nfs/dbraw/zinc/31/50/21/270315021.db2.gz KVWXCJPFGUHYMY-VIFPVBQESA-N -1 0 264.281 2.315 20 5 CEBDRM O=C(N[C@@H]1C[C@H]1C1CCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000424969807 264407782 /nfs/dbraw/zinc/40/77/82/264407782.db2.gz JXAJPXBKJMHVGY-WDEREUQCSA-N -1 0 276.292 2.219 20 5 CEBDRM C[C@@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000519160811 265347974 /nfs/dbraw/zinc/34/79/74/265347974.db2.gz UFOPTENOQXSHTF-KOLCDFICSA-N -1 0 294.307 2.201 20 5 CEBDRM O=C([O-])c1cc(NCCc2cccnc2)ccc1[N+](=O)[O-] ZINC000037502087 270225361 /nfs/dbraw/zinc/22/53/61/270225361.db2.gz TXKJJRUDNKDFTQ-UHFFFAOYSA-N -1 0 287.275 2.343 20 5 CEBDRM CC(C)(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000424369880 271051488 /nfs/dbraw/zinc/05/14/88/271051488.db2.gz CQIFLRMFONVMFC-UHFFFAOYSA-N -1 0 271.248 2.042 20 5 CEBDRM CCCCCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130265365 279932749 /nfs/dbraw/zinc/93/27/49/279932749.db2.gz RIJPVJJYBYNBSP-UHFFFAOYSA-N -1 0 252.270 2.220 20 5 CEBDRM CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077448348 280987610 /nfs/dbraw/zinc/98/76/10/280987610.db2.gz DFZVBJODFYTPCU-UHFFFAOYSA-N -1 0 264.281 2.315 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153464461 289114146 /nfs/dbraw/zinc/11/41/46/289114146.db2.gz PKKCPCQVJHHYNC-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(CCc1cccnc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000154023828 289132058 /nfs/dbraw/zinc/13/20/58/289132058.db2.gz YBYRZTBOEGUPMH-UHFFFAOYSA-N -1 0 287.275 2.267 20 5 CEBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000159421130 304554093 /nfs/dbraw/zinc/55/40/93/304554093.db2.gz VCJCWAFECUELDH-AOOOYVTPSA-N -1 0 276.292 2.173 20 5 CEBDRM CC[C@](C)(O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565659799 298916151 /nfs/dbraw/zinc/91/61/51/298916151.db2.gz HDAMNWCEQVQNSR-ZDUSSCGKSA-N -1 0 282.296 2.174 20 5 CEBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](CC3CC3)C2)n1 ZINC000566621551 299009398 /nfs/dbraw/zinc/00/93/98/299009398.db2.gz GNNZYAHHMHRMJK-JTQLQIEISA-N -1 0 291.307 2.314 20 5 CEBDRM CCC(O)(CC)CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000567238638 299044984 /nfs/dbraw/zinc/04/49/84/299044984.db2.gz SZJGDCZCSPJFPM-UHFFFAOYSA-N -1 0 297.311 2.041 20 5 CEBDRM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[C@@H]1C ZINC000153749050 300198354 /nfs/dbraw/zinc/19/83/54/300198354.db2.gz HZUCWNGLOPGEKQ-UWVGGRQHSA-N -1 0 278.308 2.419 20 5 CEBDRM Cc1nc(N[C@H](CC(C)C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000123392856 302611103 /nfs/dbraw/zinc/61/11/03/302611103.db2.gz IAWHTZDEQDSFPX-SECBINFHSA-N -1 0 267.285 2.209 20 5 CEBDRM Cc1cc(NC[C@@H](O)C(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563208743 313722717 /nfs/dbraw/zinc/72/27/17/313722717.db2.gz XOGITAUBBIHLNN-GFCCVEGCSA-N -1 0 282.296 2.030 20 5 CEBDRM O=C([O-])Cc1ccc(S[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000568637168 313963780 /nfs/dbraw/zinc/96/37/80/313963780.db2.gz JFWZKFBWYNGCIR-SECBINFHSA-N -1 0 283.305 2.103 20 5 CEBDRM Cc1cc(N[C@H]2CC[C@@H](CO)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576640256 314296783 /nfs/dbraw/zinc/29/67/83/314296783.db2.gz SNFFVUQXCOZMDY-ZJUUUORDSA-N -1 0 294.307 2.174 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@@H](O)C2(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577066781 314338086 /nfs/dbraw/zinc/33/80/86/314338086.db2.gz NMTDOBHKETVEFH-GHMZBOCLSA-N -1 0 294.307 2.173 20 5 CEBDRM Cc1cc(N2CCSCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000578510969 314488047 /nfs/dbraw/zinc/48/80/47/314488047.db2.gz FOWKBSBYUICTGA-UHFFFAOYSA-N -1 0 282.321 2.155 20 5 CEBDRM CC[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000387978945 321881802 /nfs/dbraw/zinc/88/18/02/321881802.db2.gz DRESCCJQRIDLNP-SCZZXKLOSA-N -1 0 264.281 2.076 20 5 CEBDRM C[C@@H](O)C[C@H](C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000397811083 329397542 /nfs/dbraw/zinc/39/75/42/329397542.db2.gz IZUDTOGCETZYGR-DTWKUNHWSA-N -1 0 282.296 2.112 20 5 CEBDRM C[C@H](CCCCO)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000398466898 329443594 /nfs/dbraw/zinc/44/35/94/329443594.db2.gz CANXTIOAWIWFLU-SECBINFHSA-N -1 0 282.296 2.256 20 5 CEBDRM C[C@@H](CN(C)c1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000042703956 533751930 /nfs/dbraw/zinc/75/19/30/533751930.db2.gz RIZZKANHMTXZDR-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM O=C([O-])C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000054297448 527635636 /nfs/dbraw/zinc/63/56/36/527635636.db2.gz OEGWNXJMSUZPIF-SNVBAGLBSA-N -1 0 264.281 2.286 20 5 CEBDRM CC[C@]1(C(=O)[O-])CCCN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000090691737 535883659 /nfs/dbraw/zinc/88/36/59/535883659.db2.gz QTWUGERJRATLPY-AWEZNQCLSA-N -1 0 293.323 2.379 20 5 CEBDRM COCCCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737759762 574507531 /nfs/dbraw/zinc/50/75/31/574507531.db2.gz LDNKSFVRHXUVLH-UHFFFAOYSA-N -1 0 296.279 2.048 20 5 CEBDRM COCCCCCOc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000737759781 574507570 /nfs/dbraw/zinc/50/75/70/574507570.db2.gz MLBNEYDSIWDTSP-UHFFFAOYSA-N -1 0 283.280 2.489 20 5 CEBDRM CN(c1nccc(C(=O)[O-])c1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000738007521 574849608 /nfs/dbraw/zinc/84/96/08/574849608.db2.gz BMTHQRZVDYVDLP-UHFFFAOYSA-N -1 0 291.307 2.313 20 5 CEBDRM Cc1c(OC(=O)[C@@H](NC(=O)[O-])C(C)C)cccc1[N+](=O)[O-] ZINC000738305790 574857268 /nfs/dbraw/zinc/85/72/68/574857268.db2.gz QNFJBWHNTKEGEX-NSHDSACASA-N -1 0 296.279 2.101 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(C)C(=O)[O-] ZINC000738665197 574873088 /nfs/dbraw/zinc/87/30/88/574873088.db2.gz VZRABHQVNAZEKJ-UHFFFAOYSA-N -1 0 295.295 2.232 20 5 CEBDRM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739057869 574891645 /nfs/dbraw/zinc/89/16/45/574891645.db2.gz JPPQSDRPGBJBGJ-GHMZBOCLSA-N -1 0 293.323 2.340 20 5 CEBDRM C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739035669 574890640 /nfs/dbraw/zinc/89/06/40/574890640.db2.gz IDKNWIWGIHFFBM-VHSXEESVSA-N -1 0 294.311 2.180 20 5 CEBDRM CCN(CCNc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000739438317 574918868 /nfs/dbraw/zinc/91/88/68/574918868.db2.gz DPNUPXQOYIGWOF-UHFFFAOYSA-N -1 0 288.691 2.055 20 5 CEBDRM CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000739439181 574918882 /nfs/dbraw/zinc/91/88/82/574918882.db2.gz JSIFXUWJLOEOHI-UHFFFAOYSA-N -1 0 271.248 2.146 20 5 CEBDRM Cc1c(CN2CCN(C(=O)[O-])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000740050679 574940020 /nfs/dbraw/zinc/94/00/20/574940020.db2.gz VRKXHTNGWVSNRU-SNVBAGLBSA-N -1 0 293.323 2.087 20 5 CEBDRM O=C(OC[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])[n-]1 ZINC000753574956 575330816 /nfs/dbraw/zinc/33/08/16/575330816.db2.gz KYLJULFUJWMMBR-SNVBAGLBSA-N -1 0 288.259 2.083 20 5 CEBDRM O=C([O-])c1ccc2c(c1)CN(c1ccncc1[N+](=O)[O-])C2 ZINC000156626015 600006268 /nfs/dbraw/zinc/00/62/68/600006268.db2.gz XEHGGIGQJHOLEL-UHFFFAOYSA-N -1 0 285.259 2.208 20 5 CEBDRM C/C(=C\COC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC000825780722 601474170 /nfs/dbraw/zinc/47/41/70/601474170.db2.gz HTMRFKBSWNBRDF-FNORWQNLSA-N -1 0 299.666 2.436 20 5 CEBDRM O=C([O-])c1cc([N+](=O)[O-])cn(CCCC2CCCC2)c1=O ZINC000833308239 601603187 /nfs/dbraw/zinc/60/31/87/601603187.db2.gz UCKNNCZTEPTDFY-UHFFFAOYSA-N -1 0 294.307 2.425 20 5 CEBDRM CN(CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-] ZINC000828332694 603186639 /nfs/dbraw/zinc/18/66/39/603186639.db2.gz RXHNAOSJFYWSBT-UHFFFAOYSA-N -1 0 290.279 2.165 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000830138218 603445644 /nfs/dbraw/zinc/44/56/44/603445644.db2.gz ODWBJXLUPOXPMW-ZYHUDNBSSA-N -1 0 293.323 2.386 20 5 CEBDRM CCC(CC)(CNc1ncccc1[N+](=O)[O-])NC(=O)[O-] ZINC000826566132 603523717 /nfs/dbraw/zinc/52/37/17/603523717.db2.gz AASSLDYAPPXGSO-UHFFFAOYSA-N -1 0 282.300 2.228 20 5 CEBDRM Cc1cc(N[C@H]2CCC[C@@H]2CNC(=O)[O-])ncc1[N+](=O)[O-] ZINC000830117486 603892828 /nfs/dbraw/zinc/89/28/28/603892828.db2.gz ZDARFEURXSURAT-ZJUUUORDSA-N -1 0 294.311 2.146 20 5 CEBDRM Cc1ccc(N2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830341149 604224206 /nfs/dbraw/zinc/22/42/06/604224206.db2.gz PEIHMZYMMIZKRR-SNVBAGLBSA-N -1 0 279.296 2.092 20 5 CEBDRM Cc1nc(N[C@@H](CNC(=O)[O-])CC(C)C)ccc1[N+](=O)[O-] ZINC000830775080 604442741 /nfs/dbraw/zinc/44/27/41/604442741.db2.gz LZZBZDKWHKCPGR-SNVBAGLBSA-N -1 0 296.327 2.392 20 5 CEBDRM CC(C)(C)C(=O)OCOc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000833421785 604624951 /nfs/dbraw/zinc/62/49/51/604624951.db2.gz DFJKQUPWKJEQHE-UHFFFAOYSA-N -1 0 297.263 2.219 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@H](COc2ccc([N+](=O)[O-])cc2)O1 ZINC000833578880 604884853 /nfs/dbraw/zinc/88/48/53/604884853.db2.gz LZMZSNWPNJESIM-LLVKDONJSA-N -1 0 279.248 2.121 20 5 CEBDRM CC[C@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)[O-] ZINC000833644845 605013548 /nfs/dbraw/zinc/01/35/48/605013548.db2.gz FDKMCXPSBGAPEF-NSHDSACASA-N -1 0 292.247 2.096 20 5 CEBDRM C[C@@H]1CCC[C@@H](Cn2cc([N+](=O)[O-])cc(C(=O)[O-])c2=O)C1 ZINC000833607726 605074130 /nfs/dbraw/zinc/07/41/30/605074130.db2.gz INIIHOHUPHOZOQ-NXEZZACHSA-N -1 0 294.307 2.281 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc([N+](=O)[O-])cc2C)O1 ZINC000833580156 605238334 /nfs/dbraw/zinc/23/83/34/605238334.db2.gz PTZLZTJETMOYCH-NSHDSACASA-N -1 0 293.275 2.430 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](CSc2ccc([N+](=O)[O-])cn2)O1 ZINC000833582460 605238438 /nfs/dbraw/zinc/23/84/38/605238438.db2.gz VTIQUHLROVGSTP-VIFPVBQESA-N -1 0 296.304 2.229 20 5 CEBDRM CCN(CCCNc1ncc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000833858027 605719923 /nfs/dbraw/zinc/71/99/23/605719923.db2.gz RMCZNKRTIYFAEM-UHFFFAOYSA-N -1 0 282.300 2.100 20 5 CEBDRM O=C([O-])N[C@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000834150484 605921722 /nfs/dbraw/zinc/92/17/22/605921722.db2.gz NMXBHRSZXKXUJF-SNVBAGLBSA-N -1 0 265.269 2.053 20 5 CEBDRM O=C([O-])N[C@H](CNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000834150881 605922558 /nfs/dbraw/zinc/92/25/58/605922558.db2.gz PZKLWAAPMHFVFZ-SSDOTTSWSA-N -1 0 271.298 2.114 20 5 CEBDRM Cc1ccc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263247334 624353368 /nfs/dbraw/zinc/35/33/68/624353368.db2.gz SJGPONQQUQATNT-QWRGUYRKSA-N -1 0 278.308 2.450 20 5 CEBDRM C[C@@H]1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000311676029 627686070 /nfs/dbraw/zinc/68/60/70/627686070.db2.gz ZIJNEBVUDPWHGL-HTQZYQBOSA-N -1 0 265.269 2.289 20 5 CEBDRM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)on1 ZINC000066961043 628793548 /nfs/dbraw/zinc/79/35/48/628793548.db2.gz AZQJNVIDFZTCSI-UHFFFAOYSA-N -1 0 283.190 2.422 20 5 CEBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ncccc1F ZINC000796993006 630099582 /nfs/dbraw/zinc/09/95/82/630099582.db2.gz LCSMQZYIZJQFJU-SSDOTTSWSA-N -1 0 279.227 2.375 20 5 CEBDRM O=[N+]([O-])c1cnc([N-]c2cnn(C3CCC3)c2)nc1 ZINC000897102371 630939766 /nfs/dbraw/zinc/93/97/66/630939766.db2.gz IOFHBWSBTMKBSM-UHFFFAOYSA-N -1 0 260.257 2.050 20 5 CEBDRM Cc1ccc(C[N-]C(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000864492232 631695170 /nfs/dbraw/zinc/69/51/70/631695170.db2.gz LTUGHSLHTIXAKS-UHFFFAOYSA-N -1 0 262.187 2.082 20 5 CEBDRM CON(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCOCC1 ZINC000815111619 632961346 /nfs/dbraw/zinc/96/13/46/632961346.db2.gz DFYPLXPLYPICDL-UHFFFAOYSA-N -1 0 296.323 2.090 20 5 CEBDRM Cc1cc(COC(=O)c2ccc([N+](=O)[O-])[n-]2)co1 ZINC000816244656 633159077 /nfs/dbraw/zinc/15/90/77/633159077.db2.gz PXIVQFUJWYFTJM-UHFFFAOYSA-N -1 0 250.210 2.181 20 5 CEBDRM O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000900978518 633904956 /nfs/dbraw/zinc/90/49/56/633904956.db2.gz JYARCSSMIYADLM-RQJHMYQMSA-N -1 0 256.283 2.322 20 5 CEBDRM O=C([O-])c1ccc(-c2ncn3c2CCCC3)c([N+](=O)[O-])c1 ZINC000901001567 633919028 /nfs/dbraw/zinc/91/90/28/633919028.db2.gz ZZNZRGPENUNFJP-UHFFFAOYSA-N -1 0 287.275 2.493 20 5 CEBDRM Cc1cc(N2CCO[C@H](C)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000906156123 636613898 /nfs/dbraw/zinc/61/38/98/636613898.db2.gz VDIMBEWOHSWEGL-SNVBAGLBSA-N -1 0 294.307 2.217 20 5 CEBDRM Cc1cc(N2CC[C@H](CF)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000906148882 636624917 /nfs/dbraw/zinc/62/49/17/636624917.db2.gz MRLUOFPMFCCKAN-SECBINFHSA-N -1 0 282.271 2.397 20 5 CEBDRM C/C(=C/CNc1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000906149187 636625348 /nfs/dbraw/zinc/62/53/48/636625348.db2.gz POVHFTJDADCWTE-TWGQIWQCSA-N -1 0 250.254 2.346 20 5 CEBDRM CC[C@H](C)N(OC)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000830475479 637080190 /nfs/dbraw/zinc/08/01/90/637080190.db2.gz UXGFBSAXZCTCDL-QMMMGPOBSA-N -1 0 268.269 2.103 20 5 CEBDRM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])s1 ZINC000910454248 638057788 /nfs/dbraw/zinc/05/77/88/638057788.db2.gz MWZQVVXEBZKTFR-XLDPMVHQSA-N -1 0 282.321 2.346 20 5 CEBDRM O=C([O-])C12CC(C1)CN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC000910462111 638060125 /nfs/dbraw/zinc/06/01/25/638060125.db2.gz CJIIRUPAHVINRL-UHFFFAOYSA-N -1 0 299.286 2.196 20 5 CEBDRM CC(C)=CC(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837331092 639188380 /nfs/dbraw/zinc/18/83/80/639188380.db2.gz JIAUMQAPCNSEDQ-UHFFFAOYSA-N -1 0 251.238 2.310 20 5 CEBDRM CC[C@@H](C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837366893 639204657 /nfs/dbraw/zinc/20/46/57/639204657.db2.gz CVEOQIKVQKLPTQ-MRVPVSSYSA-N -1 0 253.254 2.390 20 5 CEBDRM CC1(C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCOCC1 ZINC000837495774 639253299 /nfs/dbraw/zinc/25/32/99/639253299.db2.gz OQLDFLJRXSQUKX-UHFFFAOYSA-N -1 0 295.291 2.160 20 5 CEBDRM O=C(CC1(O)CCCC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837529539 639268215 /nfs/dbraw/zinc/26/82/15/639268215.db2.gz ARTDBUMMFLWSEM-UHFFFAOYSA-N -1 0 295.291 2.039 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])C1CCC(=O)CC1 ZINC000837565330 639284905 /nfs/dbraw/zinc/28/49/05/639284905.db2.gz DPZIBWHGLYKWLH-UHFFFAOYSA-N -1 0 293.275 2.103 20 5 CEBDRM O=C(OCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000837578891 639292207 /nfs/dbraw/zinc/29/22/07/639292207.db2.gz SFSHKTZVFQVLEY-MRVPVSSYSA-N -1 0 283.305 2.097 20 5 CEBDRM O=C(C[C@@H]1CCCOC1)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837695144 639346647 /nfs/dbraw/zinc/34/66/47/639346647.db2.gz DYKRCZGCPCIMHR-JTQLQIEISA-N -1 0 295.291 2.160 20 5 CEBDRM CC[C@H](C)[C@H](OC)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837696763 639347600 /nfs/dbraw/zinc/34/76/00/639347600.db2.gz QNZAEVUICAOKQY-ZANVPECISA-N -1 0 297.307 2.405 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NCCCCCO)c([N+](=O)[O-])c1 ZINC000844207010 640631796 /nfs/dbraw/zinc/63/17/96/640631796.db2.gz ZSTPAIKRBCGTRZ-ALCCZGGFSA-N -1 0 294.307 2.267 20 5 CEBDRM CC[C@@H](Sc1nc2ccccn2c1[N+](=O)[O-])C(=O)[O-] ZINC000844206765 640631924 /nfs/dbraw/zinc/63/19/24/640631924.db2.gz MCCYDFVXZZAYAD-SSDOTTSWSA-N -1 0 281.293 2.198 20 5 CEBDRM Nc1ccc(N2CCC(CCC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000844213951 640633587 /nfs/dbraw/zinc/63/35/87/640633587.db2.gz PWPKMIOMHGBJLY-UHFFFAOYSA-N -1 0 293.323 2.258 20 5 CEBDRM CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000844218973 640634722 /nfs/dbraw/zinc/63/47/22/640634722.db2.gz PHJJNQCDJWQIEA-ZJUUUORDSA-N -1 0 292.291 2.463 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000844220068 640634952 /nfs/dbraw/zinc/63/49/52/640634952.db2.gz ZYEUWSBVGIEDFB-BXKDBHETSA-N -1 0 294.307 2.041 20 5 CEBDRM O=Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000770859399 646446354 /nfs/dbraw/zinc/44/63/54/646446354.db2.gz ZVJVGENXKXFUNS-UHFFFAOYSA-N -1 0 292.272 2.427 20 5 CEBDRM O=C([O-])C1=CC[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000863478376 646738060 /nfs/dbraw/zinc/73/80/60/646738060.db2.gz JKWFZNABYSSNPJ-ZETCQYMHSA-N -1 0 254.267 2.242 20 5 CEBDRM CC[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])[n-]2)CCO1 ZINC000779302958 647309089 /nfs/dbraw/zinc/30/90/89/647309089.db2.gz MWHQYCRSKVYLMM-RKDXNWHRSA-N -1 0 268.269 2.037 20 5 CEBDRM CS[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000780590854 647449331 /nfs/dbraw/zinc/44/93/31/647449331.db2.gz VMABAODXSPSCJO-JOYOIKCWSA-N -1 0 296.348 2.314 20 5 CEBDRM Cc1cc(N[C@H]2C[C@H](C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000693025145 802550956 /nfs/dbraw/zinc/55/09/56/802550956.db2.gz ACCJUPXYXSESJC-CZMCAQCFSA-N -1 0 250.254 2.178 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC=C(C(=O)[O-])C1 ZINC000694982922 803601370 /nfs/dbraw/zinc/60/13/70/803601370.db2.gz AWTKVOFYWLKZSK-JTQLQIEISA-N -1 0 262.265 2.489 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000694982931 803601768 /nfs/dbraw/zinc/60/17/68/803601768.db2.gz AWTKVOFYWLKZSK-SNVBAGLBSA-N -1 0 262.265 2.489 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1N(C)CCCC(=O)[O-] ZINC000036950002 814951878 /nfs/dbraw/zinc/95/18/78/814951878.db2.gz UJIYHQLRWWCJHQ-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM C[C@@]1(COC(=O)c2ccc([N+](=O)[O-])[n-]2)C[C@]1(F)Cl ZINC000821865225 813713154 /nfs/dbraw/zinc/71/31/54/813713154.db2.gz IYRRPZYTSPZIRX-VHSXEESVSA-N -1 0 276.651 2.394 20 5 CEBDRM Cc1ncncc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503011 816029736 /nfs/dbraw/zinc/02/97/36/816029736.db2.gz SHQKYQXHPXHNMD-UHFFFAOYSA-N -1 0 274.236 2.135 20 5 CEBDRM O=C([O-])c1cc(Nc2cnsc2)cc([N+](=O)[O-])c1 ZINC001176671903 816452579 /nfs/dbraw/zinc/45/25/79/816452579.db2.gz DLCAGIXKVZOUKQ-UHFFFAOYSA-N -1 0 265.250 2.493 20 5 CEBDRM O=C([O-])c1cc(Nc2ncccc2O)cc([N+](=O)[O-])c1 ZINC001176671722 816453081 /nfs/dbraw/zinc/45/30/81/816453081.db2.gz CIKIOTXDVXKVRJ-UHFFFAOYSA-N -1 0 275.220 2.137 20 5 CEBDRM Nc1cccc2cn(-c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc21 ZINC001176676465 816454210 /nfs/dbraw/zinc/45/42/10/816454210.db2.gz FJNPDFGZSLSVEE-UHFFFAOYSA-N -1 0 298.258 2.214 20 5 CEBDRM C[C@@H]1C[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001141672284 816578508 /nfs/dbraw/zinc/57/85/08/816578508.db2.gz CHEZTGOYMGISIM-RQJHMYQMSA-N -1 0 284.699 2.340 20 5 CEBDRM CC1(F)CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000601870556 346919477 /nfs/dbraw/zinc/91/94/77/346919477.db2.gz VBMHEXULHNRHPH-UHFFFAOYSA-N -1 0 282.271 2.265 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCCC(=O)[O-] ZINC000041031347 362015177 /nfs/dbraw/zinc/01/51/77/362015177.db2.gz SPZXKAUFONSFIV-UHFFFAOYSA-N -1 0 294.307 2.278 20 5 CEBDRM CCc1c(=O)n(-c2ccc([N+](=O)[O-])cn2)[n-]c1C(C)C ZINC000601930723 346929468 /nfs/dbraw/zinc/92/94/68/346929468.db2.gz AURZAFITXDZIHY-SNVBAGLBSA-N -1 0 276.296 2.375 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000043584998 343465047 /nfs/dbraw/zinc/46/50/47/343465047.db2.gz DUALJOOBHFMUAJ-JTQLQIEISA-N -1 0 279.296 2.071 20 5 CEBDRM O=C([O-])CC[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000043584829 343465184 /nfs/dbraw/zinc/46/51/84/343465184.db2.gz XJNGTGDHMBCDKZ-JTQLQIEISA-N -1 0 279.296 2.071 20 5 CEBDRM O=C([O-])c1cc(NC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000044417650 343471276 /nfs/dbraw/zinc/47/12/76/343471276.db2.gz SDUXQXZOWMXKOX-SNVBAGLBSA-N -1 0 280.280 2.274 20 5 CEBDRM CC(C)n1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000092546073 344194570 /nfs/dbraw/zinc/19/45/70/344194570.db2.gz MRSWOBJQJBADEG-UHFFFAOYSA-N -1 0 290.279 2.330 20 5 CEBDRM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000134986483 344379364 /nfs/dbraw/zinc/37/93/64/344379364.db2.gz ROGFUFDDILVMAS-JTQLQIEISA-N -1 0 293.323 2.317 20 5 CEBDRM CC1(C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000158806313 344452752 /nfs/dbraw/zinc/45/27/52/344452752.db2.gz BNZOWXOELZZWHT-UHFFFAOYSA-N -1 0 297.336 2.020 20 5 CEBDRM O=C([O-])c1cnc(NCCOC2CCCC2)c([N+](=O)[O-])c1 ZINC000162429847 344467654 /nfs/dbraw/zinc/46/76/54/344467654.db2.gz PIIRUIYWQWXGBI-UHFFFAOYSA-N -1 0 295.295 2.059 20 5 CEBDRM Cc1ccc(NCC2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])c1 ZINC000165973758 344475445 /nfs/dbraw/zinc/47/54/45/344475445.db2.gz YHXHEDDHPFMCFG-UHFFFAOYSA-N -1 0 294.307 2.197 20 5 CEBDRM CSC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000229369873 344566598 /nfs/dbraw/zinc/56/65/98/344566598.db2.gz CQNOOAFFYPZEDG-ZETCQYMHSA-N -1 0 270.310 2.456 20 5 CEBDRM O=C([O-])CCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000236418782 344595527 /nfs/dbraw/zinc/59/55/27/344595527.db2.gz WPRLQDKEQTVNLL-UHFFFAOYSA-N -1 0 273.676 2.310 20 5 CEBDRM CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000232748393 344578480 /nfs/dbraw/zinc/57/84/80/344578480.db2.gz HIIQBJAOLSHJOY-MRVPVSSYSA-N -1 0 287.703 2.412 20 5 CEBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000050195763 362410070 /nfs/dbraw/zinc/41/00/70/362410070.db2.gz QZRLKDVQVNFAJX-UHFFFAOYSA-N -1 0 286.309 2.030 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC(F)(F)C1 ZINC000404746404 344882137 /nfs/dbraw/zinc/88/21/37/344882137.db2.gz SUSGKFJKQIDENU-UHFFFAOYSA-N -1 0 286.234 2.172 20 5 CEBDRM O=C(N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])cc1[O-] ZINC000588789290 345055854 /nfs/dbraw/zinc/05/58/54/345055854.db2.gz VOBCBLFMWMCOLO-JTQLQIEISA-N -1 0 286.234 2.218 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@@H](C)C2)n1 ZINC000592964001 345416506 /nfs/dbraw/zinc/41/65/06/345416506.db2.gz KYWDQSKKGVSZAZ-MRVPVSSYSA-N -1 0 279.296 2.233 20 5 CEBDRM O=C(NC1CC2(CCC2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000593882248 345547547 /nfs/dbraw/zinc/54/75/47/345547547.db2.gz NXADSOJJDNCDFH-UHFFFAOYSA-N -1 0 276.292 2.363 20 5 CEBDRM CCC(CC)(C(=O)[O-])C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000593926124 345552789 /nfs/dbraw/zinc/55/27/89/345552789.db2.gz XFGTZBQVFNSTOI-UHFFFAOYSA-N -1 0 294.307 2.102 20 5 CEBDRM Cc1ccnc(NC[C@@H](CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000594737235 345682664 /nfs/dbraw/zinc/68/26/64/345682664.db2.gz ZXVJOZKVAWPOML-SNVBAGLBSA-N -1 0 279.296 2.211 20 5 CEBDRM Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092921929 301341314 /nfs/dbraw/zinc/34/13/14/301341314.db2.gz RVLXMMXYHSKGBB-ONGXEEELSA-N -1 0 264.281 2.203 20 5 CEBDRM O=C(/C=C/c1ccc[nH]1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000493224500 290761577 /nfs/dbraw/zinc/76/15/77/290761577.db2.gz PKZUGARSVGBQPR-GQCTYLIASA-N -1 0 273.248 2.280 20 5 CEBDRM O=C(Nc1ccc2n[nH]cc2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164109202 232262490 /nfs/dbraw/zinc/26/24/90/232262490.db2.gz YQPLAYFNHXICCF-UHFFFAOYSA-N -1 0 298.258 2.429 20 5 CEBDRM CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C(=O)[O-])C1CCC1 ZINC000595978275 345920100 /nfs/dbraw/zinc/92/01/00/345920100.db2.gz SQFIGKWBEDUOEZ-JTQLQIEISA-N -1 0 296.327 2.032 20 5 CEBDRM CC[C@@H](C)CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000597978011 346262226 /nfs/dbraw/zinc/26/22/26/346262226.db2.gz NKVNJAWWWCOSBG-SECBINFHSA-N -1 0 266.297 2.466 20 5 CEBDRM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598206831 346305056 /nfs/dbraw/zinc/30/50/56/346305056.db2.gz HMBVMQVPHNQUIF-USWWRNFRSA-N -1 0 290.319 2.466 20 5 CEBDRM C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1(F)F ZINC000598217661 346308583 /nfs/dbraw/zinc/30/85/83/346308583.db2.gz VPKGQQXUMJYHRZ-LLVKDONJSA-N -1 0 286.234 2.076 20 5 CEBDRM CC1(C)C[C@]1(C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000598385479 346343462 /nfs/dbraw/zinc/34/34/62/346343462.db2.gz JNFIKJMFAXLBNX-ZDUSSCGKSA-N -1 0 264.281 2.219 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781252 346418876 /nfs/dbraw/zinc/41/88/76/346418876.db2.gz JYXQADGWGYLQBF-UHFFFAOYSA-N -1 0 276.292 2.173 20 5 CEBDRM COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600802188 346692897 /nfs/dbraw/zinc/69/28/97/346692897.db2.gz STZAQDNESWMFTF-NXEZZACHSA-N -1 0 294.307 2.150 20 5 CEBDRM Cc1ccc(CN=c2[n-]nc([C@@H]3C[C@@H]3C)o2)cc1[N+](=O)[O-] ZINC000601064913 346742221 /nfs/dbraw/zinc/74/22/21/346742221.db2.gz UIFNGJRRIUHAOB-GXSJLCMTSA-N -1 0 288.307 2.444 20 5 CEBDRM CCCc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cn2)c1=O ZINC000603921245 347398074 /nfs/dbraw/zinc/39/80/74/347398074.db2.gz NBPXNXRPONEGCD-SNVBAGLBSA-N -1 0 262.269 2.129 20 5 CEBDRM C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H]1F ZINC000611506801 347787668 /nfs/dbraw/zinc/78/76/68/347787668.db2.gz ROKCDUGFFUBVTH-PSASIEDQSA-N -1 0 282.271 2.121 20 5 CEBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000611535793 347792516 /nfs/dbraw/zinc/79/25/16/347792516.db2.gz CBEDFYANVBSXIA-QMMMGPOBSA-N -1 0 264.281 2.219 20 5 CEBDRM Cc1cc(NC[C@H](C(=O)[O-])C(C)C)ncc1[N+](=O)[O-] ZINC000092026521 180308430 /nfs/dbraw/zinc/30/84/30/180308430.db2.gz INTQTUASUNHAMB-VIFPVBQESA-N -1 0 267.285 2.067 20 5 CEBDRM Cc1cc(NC[C@@H](C(=O)[O-])C(C)C)ncc1[N+](=O)[O-] ZINC000092026522 180308752 /nfs/dbraw/zinc/30/87/52/180308752.db2.gz INTQTUASUNHAMB-SECBINFHSA-N -1 0 267.285 2.067 20 5 CEBDRM COc1cc(N[C@H](C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000110624808 186306390 /nfs/dbraw/zinc/30/63/90/186306390.db2.gz ZFKHYWJDXKHWFO-ZCFIWIBFSA-N -1 0 272.232 2.018 20 5 CEBDRM CCN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000162710120 188585620 /nfs/dbraw/zinc/58/56/20/188585620.db2.gz KRRYDYUPYQPFQD-UHFFFAOYSA-N -1 0 266.297 2.419 20 5 CEBDRM O=C([O-])C1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000071173478 304042603 /nfs/dbraw/zinc/04/26/03/304042603.db2.gz BKTMLCQYWHIRKW-UHFFFAOYSA-N -1 0 290.197 2.134 20 5 CEBDRM Cc1cc(NC[C@@H](O)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576587359 314291085 /nfs/dbraw/zinc/29/10/85/314291085.db2.gz DEAIRRKYLBSBHG-LLVKDONJSA-N -1 0 282.296 2.030 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000575751711 366357472 /nfs/dbraw/zinc/35/74/72/366357472.db2.gz JFKFJTRJRKMAJM-ZJUUUORDSA-N -1 0 282.271 2.311 20 5 CEBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(F)F ZINC000452667691 283349890 /nfs/dbraw/zinc/34/98/90/283349890.db2.gz HIPUFFMOWQWYLW-MRVPVSSYSA-N -1 0 274.223 2.074 20 5 CEBDRM CCCN(CC(=O)[O-])c1c2ccccc2ncc1[N+](=O)[O-] ZINC000135919103 366482513 /nfs/dbraw/zinc/48/25/13/366482513.db2.gz NDSHHIVBMQKQIZ-UHFFFAOYSA-N -1 0 289.291 2.444 20 5 CEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000341208047 215874065 /nfs/dbraw/zinc/87/40/65/215874065.db2.gz PCLHBMJNABOLOB-UHFFFAOYSA-N -1 0 298.302 2.245 20 5 CEBDRM Cc1cc(C(=O)N(CCC(=O)[O-])C(C)C)cc([N+](=O)[O-])c1 ZINC000137090738 366535041 /nfs/dbraw/zinc/53/50/41/366535041.db2.gz LNUVAAXNFJBILM-UHFFFAOYSA-N -1 0 294.307 2.229 20 5 CEBDRM CCC[C@@H](OC)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000297379811 200169358 /nfs/dbraw/zinc/16/93/58/200169358.db2.gz DGYRMCKULDRQFD-LLVKDONJSA-N -1 0 268.269 2.054 20 5 CEBDRM Cc1c([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cnn1C ZINC000339086517 366646290 /nfs/dbraw/zinc/64/62/90/366646290.db2.gz NEZQNXOWIOWLSA-SECBINFHSA-N -1 0 290.323 2.193 20 5 CEBDRM COCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000081716786 363738480 /nfs/dbraw/zinc/73/84/80/363738480.db2.gz SMTMIWDUYNZOCL-QMMMGPOBSA-N -1 0 268.269 2.130 20 5 CEBDRM CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CC(=O)[O-] ZINC000088272528 363887378 /nfs/dbraw/zinc/88/73/78/363887378.db2.gz XRNISKAKPWNVBS-VIFPVBQESA-N -1 0 298.295 2.055 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC1(Cl)Cl ZINC000089541069 363977960 /nfs/dbraw/zinc/97/79/60/363977960.db2.gz LRVWTLUWQOXXKZ-LURJTMIESA-N -1 0 291.090 2.433 20 5 CEBDRM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCOCC1 ZINC000092545951 364080868 /nfs/dbraw/zinc/08/08/68/364080868.db2.gz UJCQTCOFYKERRH-VIFPVBQESA-N -1 0 294.307 2.302 20 5 CEBDRM Cc1occc1CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356422913 370704293 /nfs/dbraw/zinc/70/42/93/370704293.db2.gz QZTKPGZWAIAWDZ-UHFFFAOYSA-N -1 0 290.275 2.474 20 5 CEBDRM O=C([O-])c1cc(C(=O)N[C@@H]2C=CCCC2)cc([N+](=O)[O-])c1 ZINC000237984977 370764590 /nfs/dbraw/zinc/76/45/90/370764590.db2.gz OMRPZFGTXOJSIT-LLVKDONJSA-N -1 0 290.275 2.132 20 5 CEBDRM CCCC[C@@H](COC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000118958605 365191585 /nfs/dbraw/zinc/19/15/85/365191585.db2.gz RSIGRYJGKZWULQ-NSHDSACASA-N -1 0 296.323 2.235 20 5 CEBDRM CC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000163983741 367273670 /nfs/dbraw/zinc/27/36/70/367273670.db2.gz DASSMPMKWXXWLT-UHFFFAOYSA-N -1 0 264.281 2.173 20 5 CEBDRM CCC(CC)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163981165 367273902 /nfs/dbraw/zinc/27/39/02/367273902.db2.gz GBAQPRZEQNSQQD-UHFFFAOYSA-N -1 0 252.270 2.219 20 5 CEBDRM Cc1csc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])n1 ZINC000343077185 367661525 /nfs/dbraw/zinc/66/15/25/367661525.db2.gz HIDDVVRIDYABAR-UHFFFAOYSA-N -1 0 279.277 2.318 20 5 CEBDRM Cc1cc(S(=O)(=O)[N-]c2ccncc2)ccc1[N+](=O)[O-] ZINC000172192825 367695679 /nfs/dbraw/zinc/69/56/79/367695679.db2.gz FERSYGFHDSTQMP-UHFFFAOYSA-N -1 0 293.304 2.099 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H]1C(F)F ZINC000343377019 367779984 /nfs/dbraw/zinc/77/99/84/367779984.db2.gz RZUOTVKDWQKKFC-VIFPVBQESA-N -1 0 286.234 2.170 20 5 CEBDRM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000343880975 368056024 /nfs/dbraw/zinc/05/60/24/368056024.db2.gz RXEXYRUCLIXCEB-MFKMUULPSA-N -1 0 294.307 2.444 20 5 CEBDRM COC(=O)c1coc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000183823190 368651803 /nfs/dbraw/zinc/65/18/03/368651803.db2.gz XILBOKQQKYFJGA-UHFFFAOYSA-N -1 0 290.231 2.227 20 5 CEBDRM O=C(Cc1ccoc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000185620186 368831619 /nfs/dbraw/zinc/83/16/19/368831619.db2.gz WJRIVONPBUROMK-UHFFFAOYSA-N -1 0 262.221 2.075 20 5 CEBDRM Cc1c(CNC(=O)CCCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC000231883040 370497706 /nfs/dbraw/zinc/49/77/06/370497706.db2.gz NGVUUKMNSZIOJL-UHFFFAOYSA-N -1 0 294.307 2.164 20 5 CEBDRM CCC1(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCC1 ZINC000236639896 370599947 /nfs/dbraw/zinc/59/99/47/370599947.db2.gz OXRMHCDCQHKXON-UHFFFAOYSA-N -1 0 292.291 2.356 20 5 CEBDRM Cc1cnc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000358894834 371258328 /nfs/dbraw/zinc/25/83/28/371258328.db2.gz AJBGAQSRICTOLD-UHFFFAOYSA-N -1 0 299.286 2.207 20 5 CEBDRM CCCN(CC(F)F)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269186999 372369146 /nfs/dbraw/zinc/36/91/46/372369146.db2.gz NENCNVJCGPNIEB-UHFFFAOYSA-N -1 0 288.250 2.418 20 5 CEBDRM CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccn1C ZINC000362962196 372591706 /nfs/dbraw/zinc/59/17/06/372591706.db2.gz AQYBGMSVQFDJHP-UHFFFAOYSA-N -1 0 289.291 2.454 20 5 CEBDRM CC[C@@H](C)[C@H](O)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000573688993 299452657 /nfs/dbraw/zinc/45/26/57/299452657.db2.gz ZDTKDTDIHOLJMM-PRHODGIISA-N -1 0 282.296 2.112 20 5 CEBDRM C[C@H]1CSCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000277659336 374598685 /nfs/dbraw/zinc/59/86/85/374598685.db2.gz ZBGGTRACYUDJID-SECBINFHSA-N -1 0 296.348 2.126 20 5 CEBDRM O=C([O-])[C@H]1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000057463365 304188496 /nfs/dbraw/zinc/18/84/96/304188496.db2.gz BCPJZOMZFUJCOZ-GFCCVEGCSA-N -1 0 287.275 2.196 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1C[C@H]1c1cccnc1 ZINC000378422890 375097614 /nfs/dbraw/zinc/09/76/14/375097614.db2.gz KNPQXUOEHPHYGK-RYUDHWBXSA-N -1 0 299.286 2.438 20 5 CEBDRM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000380715151 375165850 /nfs/dbraw/zinc/16/58/50/375165850.db2.gz XXFVFRBQCCADES-DTWKUNHWSA-N -1 0 264.281 2.171 20 5 CEBDRM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000399734692 375365761 /nfs/dbraw/zinc/36/57/61/375365761.db2.gz LNLGMNUDBVWOLE-VGMNWLOBSA-N -1 0 279.296 2.169 20 5 CEBDRM C[C@@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000399740860 375368340 /nfs/dbraw/zinc/36/83/40/375368340.db2.gz NLTFZQMCRVISSC-VGMNWLOBSA-N -1 0 279.296 2.169 20 5 CEBDRM C[C@H]1[C@@H](C)N(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H]1C ZINC000399740859 375368381 /nfs/dbraw/zinc/36/83/81/375368381.db2.gz NLTFZQMCRVISSC-IWSPIJDZSA-N -1 0 279.296 2.169 20 5 CEBDRM C[C@@H]1C[C@@H](C)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000408160628 375420384 /nfs/dbraw/zinc/42/03/84/375420384.db2.gz WMEDYGUDVGOTDJ-RKDXNWHRSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC12CCC2 ZINC000408413364 375475557 /nfs/dbraw/zinc/47/55/57/375475557.db2.gz GEWSHQCCNGOLJQ-UHFFFAOYSA-N -1 0 262.265 2.069 20 5 CEBDRM CC(C)(C)CC[C@H](Nc1ncc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000416436924 376070404 /nfs/dbraw/zinc/07/04/04/376070404.db2.gz FMHVXAJDCRUCRZ-VIFPVBQESA-N -1 0 282.300 2.076 20 5 CEBDRM Cc1cc(NCC[C@@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000574279989 299481292 /nfs/dbraw/zinc/48/12/92/299481292.db2.gz DIZBNICZCZDPRB-SNVBAGLBSA-N -1 0 294.307 2.440 20 5 CEBDRM Cc1cc(N(C)C[C@H]2CCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563207189 377126379 /nfs/dbraw/zinc/12/63/79/377126379.db2.gz VQMFECAOHCBVAP-SNVBAGLBSA-N -1 0 294.307 2.074 20 5 CEBDRM Cc1cc(N[C@@H]2C[C@H](O)C2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563209564 377128650 /nfs/dbraw/zinc/12/86/50/377128650.db2.gz KRRUQLZHQKUNEJ-NEPJUHHUSA-N -1 0 294.307 2.173 20 5 CEBDRM CC(C)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000330454921 377142084 /nfs/dbraw/zinc/14/20/84/377142084.db2.gz NQASUAYZSCKUGV-AWEZNQCLSA-N -1 0 280.324 2.157 20 5 CEBDRM Cc1cc(N(C)[C@H]2CCCOC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564088477 377344506 /nfs/dbraw/zinc/34/45/06/377344506.db2.gz OHIVUSUXKVEYNA-JTQLQIEISA-N -1 0 294.307 2.217 20 5 CEBDRM C[C@H](C1CC1)N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000332131437 377523641 /nfs/dbraw/zinc/52/36/41/377523641.db2.gz JXPDCPLZUHLTQV-MRVPVSSYSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(N[C@H]1CCC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000565017944 377531998 /nfs/dbraw/zinc/53/19/98/377531998.db2.gz BQOGNDARAOAYKR-BDAKNGLRSA-N -1 0 282.271 2.311 20 5 CEBDRM COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000574457290 299497584 /nfs/dbraw/zinc/49/75/84/299497584.db2.gz YGHNTULHGCDHPU-KOLCDFICSA-N -1 0 294.307 2.406 20 5 CEBDRM CC(F)(F)CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000295617637 378238003 /nfs/dbraw/zinc/23/80/03/378238003.db2.gz QQYBENMXOVBDRD-UHFFFAOYSA-N -1 0 274.223 2.076 20 5 CEBDRM Cc1cc(=NC(=O)/C=C\c2ccccc2[N+](=O)[O-])[n-]nc1C ZINC000491866081 380364219 /nfs/dbraw/zinc/36/42/19/380364219.db2.gz HQGZIIAKBALGMF-FPLPWBNLSA-N -1 0 298.302 2.075 20 5 CEBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](OC(F)F)C1 ZINC000549451463 380602568 /nfs/dbraw/zinc/60/25/68/380602568.db2.gz BDEZLXIRPPEQED-JTQLQIEISA-N -1 0 288.250 2.114 20 5 CEBDRM O=C(C[C@H]1CCCC[C@@H]1O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000281403525 195228428 /nfs/dbraw/zinc/22/84/28/195228428.db2.gz YTSPSTZYYKSVSG-SKDRFNHKSA-N -1 0 294.307 2.180 20 5 CEBDRM CC[C@@](C)(NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000094224275 184765483 /nfs/dbraw/zinc/76/54/83/184765483.db2.gz ZYAXGVKSNHATHH-CYBMUJFWSA-N -1 0 295.295 2.278 20 5 CEBDRM CCN(CCC(=O)[O-])c1cc(C)ccc1[N+](=O)[O-] ZINC000094659021 184837169 /nfs/dbraw/zinc/83/71/69/184837169.db2.gz QXBMLJSVGFJQKI-UHFFFAOYSA-N -1 0 252.270 2.204 20 5 CEBDRM Cc1cc([N+](=O)[O-])cnc1NC[C@H](CC(C)C)C(=O)[O-] ZINC000094703499 184844233 /nfs/dbraw/zinc/84/42/33/184844233.db2.gz QFFITSIWTAKQAC-JTQLQIEISA-N -1 0 281.312 2.457 20 5 CEBDRM O=C([O-])c1cc(C(=O)N2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000237977171 131070284 /nfs/dbraw/zinc/07/02/84/131070284.db2.gz PUJDGDFRGQOPEQ-UHFFFAOYSA-N -1 0 292.291 2.309 20 5 CEBDRM CC1(C)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236907664 394488348 /nfs/dbraw/zinc/48/83/48/394488348.db2.gz LZYVVAMPXCQVMG-UHFFFAOYSA-N -1 0 292.291 2.308 20 5 CEBDRM O=C(N[C@@H]1C=CCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356799607 394617650 /nfs/dbraw/zinc/61/76/50/394617650.db2.gz HBDPDLGLAQNSIC-SNVBAGLBSA-N -1 0 262.265 2.139 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000416317755 395054309 /nfs/dbraw/zinc/05/43/09/395054309.db2.gz DPYIUFNIHDWOEX-UTLUCORTSA-N -1 0 278.308 2.417 20 5 CEBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H]1C(F)F ZINC000436700243 395144896 /nfs/dbraw/zinc/14/48/96/395144896.db2.gz ZGCPRXVAKNIGLQ-SECBINFHSA-N -1 0 286.234 2.170 20 5 CEBDRM O=C(Nc1cc2c(cn1)CCC2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436726042 395149479 /nfs/dbraw/zinc/14/94/79/395149479.db2.gz SDKSRSDXERGHIN-UHFFFAOYSA-N -1 0 299.286 2.436 20 5 CEBDRM CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(F)(F)F ZINC000436833604 395158233 /nfs/dbraw/zinc/15/82/33/395158233.db2.gz KIQSCRCMXWFEBI-VIFPVBQESA-N -1 0 292.213 2.371 20 5 CEBDRM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1C ZINC000182078876 395232602 /nfs/dbraw/zinc/23/26/02/395232602.db2.gz WPQMHHXPPNYSMN-IUCAKERBSA-N -1 0 264.281 2.171 20 5 CEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ncc(F)cc1F ZINC000192192344 395375246 /nfs/dbraw/zinc/37/52/46/395375246.db2.gz NRTITCBMKJIIKP-UHFFFAOYSA-N -1 0 295.201 2.226 20 5 CEBDRM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000194739443 395447590 /nfs/dbraw/zinc/44/75/90/395447590.db2.gz VOLHBLRSUVVYPR-NXEZZACHSA-N -1 0 278.308 2.419 20 5 CEBDRM CCCC[C@@H](COC)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574043790 395625103 /nfs/dbraw/zinc/62/51/03/395625103.db2.gz TXCUDUGKLJZGID-VIFPVBQESA-N -1 0 297.311 2.305 20 5 CEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)o1 ZINC000360031760 155194217 /nfs/dbraw/zinc/19/42/17/155194217.db2.gz PCWNBFYVEAIKHG-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM C[C@H](CC(=O)[O-])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235418114 153434218 /nfs/dbraw/zinc/43/42/18/153434218.db2.gz MSOOETUDCJWPLF-RXMQYKEDSA-N -1 0 293.201 2.284 20 5 CEBDRM CCC(CC)(CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165001993 162341851 /nfs/dbraw/zinc/34/18/51/162341851.db2.gz ZLVRVVOXBVFJNS-UHFFFAOYSA-N -1 0 294.307 2.216 20 5 CEBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccsc1 ZINC000174254050 165101420 /nfs/dbraw/zinc/10/14/20/165101420.db2.gz JYODHPGYZXJLCD-UHFFFAOYSA-N -1 0 284.318 2.457 20 5 CEBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccon2)cc1C ZINC000181065027 165329808 /nfs/dbraw/zinc/32/98/08/165329808.db2.gz PEUUUZDYKFUUBA-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000005729502 170133944 /nfs/dbraw/zinc/13/39/44/170133944.db2.gz YJKMYAICWKNGPE-UHFFFAOYSA-N -1 0 294.288 2.101 20 5 CEBDRM O=C([O-])c1cc(N[C@@H]2C[C@H]3OCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000565367347 298898964 /nfs/dbraw/zinc/89/89/64/298898964.db2.gz LJKIQQDXJBZBAL-UFGOTCBOSA-N -1 0 292.291 2.272 20 5 CEBDRM C[C@@H](F)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000566281366 298962751 /nfs/dbraw/zinc/96/27/51/298962751.db2.gz SDVSDJQKSMRNIA-ZCFIWIBFSA-N -1 0 290.678 2.432 20 5 CEBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC(C)(C)C)n1 ZINC000517240020 260127672 /nfs/dbraw/zinc/12/76/72/260127672.db2.gz XTLRHDVJSOKEOA-UHFFFAOYSA-N -1 0 281.312 2.479 20 5 CEBDRM O=C(NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184589140 262288422 /nfs/dbraw/zinc/28/84/22/262288422.db2.gz PKWYJKSNVJVKSG-UHFFFAOYSA-N -1 0 290.250 2.370 20 5 CEBDRM C[C@H]1C[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000519160810 265347668 /nfs/dbraw/zinc/34/76/68/265347668.db2.gz UFOPTENOQXSHTF-GXSJLCMTSA-N -1 0 294.307 2.201 20 5 CEBDRM C[C@H]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000230688187 270313983 /nfs/dbraw/zinc/31/39/83/270313983.db2.gz ZFOHULKGXJOVSX-UWVGGRQHSA-N -1 0 278.308 2.466 20 5 CEBDRM CN(C[C@H]1CCCOC1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000211503618 280206970 /nfs/dbraw/zinc/20/69/70/280206970.db2.gz MIEKCDNHJNQAGW-SNVBAGLBSA-N -1 0 294.307 2.156 20 5 CEBDRM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccco1 ZINC000437660068 281422520 /nfs/dbraw/zinc/42/25/20/281422520.db2.gz RUWQUWZFJQAVPR-UHFFFAOYSA-N -1 0 282.277 2.297 20 5 CEBDRM CCC(=O)c1ccc(N2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000263425014 281972858 /nfs/dbraw/zinc/97/28/58/281972858.db2.gz QUQKZBLRKLSCOG-LLVKDONJSA-N -1 0 292.291 2.241 20 5 CEBDRM Cc1conc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000153445854 289113283 /nfs/dbraw/zinc/11/32/83/289113283.db2.gz RKVDZVKUMSICTN-UHFFFAOYSA-N -1 0 297.292 2.000 20 5 CEBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](C2CC2)C1 ZINC000372238836 304534278 /nfs/dbraw/zinc/53/42/78/304534278.db2.gz ZCBOOEURAQJFCL-JTQLQIEISA-N -1 0 276.292 2.173 20 5 CEBDRM C[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)S1 ZINC000164796113 312661472 /nfs/dbraw/zinc/66/14/72/312661472.db2.gz GZFSZWGUMJOHGB-DTORHVGOSA-N -1 0 296.348 2.266 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000521875303 313134081 /nfs/dbraw/zinc/13/40/81/313134081.db2.gz YCGROZIOLZXWPL-ONGXEEELSA-N -1 0 278.308 2.450 20 5 CEBDRM Cc1cc(NC[C@@](C)(O)C(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565034295 313791409 /nfs/dbraw/zinc/79/14/09/313791409.db2.gz CWKDWYHNOPONPW-CQSZACIVSA-N -1 0 296.323 2.420 20 5 CEBDRM O=C([O-])Cc1ccc(S[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000568637169 313963879 /nfs/dbraw/zinc/96/38/79/313963879.db2.gz JFWZKFBWYNGCIR-VIFPVBQESA-N -1 0 283.305 2.103 20 5 CEBDRM CC[C@H](Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H](C)O ZINC000569852011 314018165 /nfs/dbraw/zinc/01/81/65/314018165.db2.gz OOEHQTNKVGFNRA-KCJUWKMLSA-N -1 0 282.296 2.173 20 5 CEBDRM Cc1cc(S[C@H]2CCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570399510 314037855 /nfs/dbraw/zinc/03/78/55/314037855.db2.gz FAMXIXZXAUHZKJ-QMMMGPOBSA-N -1 0 283.305 2.482 20 5 CEBDRM C[C@H]1C[C@@H]1c1noc(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000571735159 314103438 /nfs/dbraw/zinc/10/34/38/314103438.db2.gz NMSRFBJCZJCHCO-WKEGUHRASA-N -1 0 261.237 2.474 20 5 CEBDRM C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)CC(=O)[O-] ZINC000574162790 314192290 /nfs/dbraw/zinc/19/22/90/314192290.db2.gz RGIGZAQOOFLTNA-SECBINFHSA-N -1 0 289.291 2.088 20 5 CEBDRM Cc1cc(NC[C@@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578872055 314525086 /nfs/dbraw/zinc/52/50/86/314525086.db2.gz RGYASOXFHUNVIG-JTQLQIEISA-N -1 0 280.280 2.192 20 5 CEBDRM CC1=C(C)CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000382934954 321844733 /nfs/dbraw/zinc/84/47/33/321844733.db2.gz OGIKQMVLXPYMOA-UHFFFAOYSA-N -1 0 277.280 2.235 20 5 CEBDRM CC[C@@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000387716772 321880687 /nfs/dbraw/zinc/88/06/87/321880687.db2.gz GEBFBMXFGJLTNV-VXNVDRBHSA-N -1 0 250.254 2.285 20 5 CEBDRM C[C@@H](CN(C)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-] ZINC000042704009 533750340 /nfs/dbraw/zinc/75/03/40/533750340.db2.gz PKNHUTHRSMZPHH-VIFPVBQESA-N -1 0 289.291 2.300 20 5 CEBDRM CC[C@H]1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000182911521 523392475 /nfs/dbraw/zinc/39/24/75/523392475.db2.gz XPOLUOSGKYGKQE-KOLCDFICSA-N -1 0 294.307 2.444 20 5 CEBDRM Cc1cccc([N+](=O)[O-])c1N(C)C[C@@H](C)C(=O)[O-] ZINC000158619573 524906417 /nfs/dbraw/zinc/90/64/17/524906417.db2.gz HRXIOROXROPPGO-SECBINFHSA-N -1 0 252.270 2.060 20 5 CEBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC2(CC2)C1 ZINC000274686599 526625067 /nfs/dbraw/zinc/62/50/67/526625067.db2.gz YOOFXPUKLHEGGU-UHFFFAOYSA-N -1 0 276.292 2.317 20 5 CEBDRM CC[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000178517154 529340811 /nfs/dbraw/zinc/34/08/11/529340811.db2.gz HXANPRQEZULZFP-MRVPVSSYSA-N -1 0 252.270 2.171 20 5 CEBDRM O=C([O-])CCCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738581603 574481745 /nfs/dbraw/zinc/48/17/45/574481745.db2.gz WQVKOIMMQWTPHP-UHFFFAOYSA-N -1 0 287.655 2.270 20 5 CEBDRM CN(C[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739645675 574499006 /nfs/dbraw/zinc/49/90/06/574499006.db2.gz QQZAXZLFYKVXGE-VIFPVBQESA-N -1 0 299.352 2.483 20 5 CEBDRM C[C@@H](C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC000736583155 574792764 /nfs/dbraw/zinc/79/27/64/574792764.db2.gz KZLHCZFSUXJTHA-VIFPVBQESA-N -1 0 296.298 2.419 20 5 CEBDRM CC[C@H](CCO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736905528 574799466 /nfs/dbraw/zinc/79/94/66/574799466.db2.gz UBXVXROIQFOIMH-DUMNWFOQSA-N -1 0 294.307 2.266 20 5 CEBDRM CN(CCCC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000737430751 574833902 /nfs/dbraw/zinc/83/39/02/574833902.db2.gz HDDMTJBXNIHSDU-UHFFFAOYSA-N -1 0 299.258 2.062 20 5 CEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)CCC(=O)[O-] ZINC000738233947 574855624 /nfs/dbraw/zinc/85/56/24/574855624.db2.gz QZCIIGLPAWWCKZ-UHFFFAOYSA-N -1 0 286.671 2.360 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCNC(=O)[O-] ZINC000738358790 574859411 /nfs/dbraw/zinc/85/94/11/574859411.db2.gz ZEHRNWWMUDDPIP-UHFFFAOYSA-N -1 0 295.295 2.198 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)N1C(=O)[O-] ZINC000739193786 574899131 /nfs/dbraw/zinc/89/91/31/574899131.db2.gz MMZMWRCJROTCSB-NXEZZACHSA-N -1 0 279.296 2.172 20 5 CEBDRM C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739194563 574899212 /nfs/dbraw/zinc/89/92/12/574899212.db2.gz PPJSGJWGPOWTAX-ZJUUUORDSA-N -1 0 279.296 2.077 20 5 CEBDRM C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)[O-] ZINC000739193056 574899308 /nfs/dbraw/zinc/89/93/08/574899308.db2.gz KQMMGYGGBZTVHL-CABZTGNLSA-N -1 0 279.296 2.077 20 5 CEBDRM O=C([O-])/C=C\c1ccc(NCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000739625656 574928950 /nfs/dbraw/zinc/92/89/50/574928950.db2.gz QQXKFHXUWCLSBU-HYXAFXHYSA-N -1 0 292.291 2.020 20 5 CEBDRM O=C([O-])CCSCCNc1ccc([N+](=O)[O-])cc1F ZINC000739751930 574932624 /nfs/dbraw/zinc/93/26/24/574932624.db2.gz KNPUUFCDZWWDKM-UHFFFAOYSA-N -1 0 288.300 2.354 20 5 CEBDRM O=C([O-])c1coc(COC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000740269527 574950776 /nfs/dbraw/zinc/95/07/76/574950776.db2.gz HFTWBLUQUMKQBE-UHFFFAOYSA-N -1 0 291.215 2.243 20 5 CEBDRM O=Cc1ccc(OCc2cc(C(=O)[O-])co2)c([N+](=O)[O-])c1 ZINC000740318969 574952181 /nfs/dbraw/zinc/95/21/81/574952181.db2.gz OULVMBLJYSXRPG-UHFFFAOYSA-N -1 0 291.215 2.278 20 5 CEBDRM CC[C@@H](NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000818289656 597210776 /nfs/dbraw/zinc/21/07/76/597210776.db2.gz AFAPLCZCUALVKB-SECBINFHSA-N -1 0 295.295 2.196 20 5 CEBDRM CC(C)N(CC(=O)[O-])C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000820009661 598058469 /nfs/dbraw/zinc/05/84/69/598058469.db2.gz WTEOLTXTSCEZKZ-UHFFFAOYSA-N -1 0 297.336 2.087 20 5 CEBDRM O=C([O-])c1cc(OCc2cscn2)ccc1[N+](=O)[O-] ZINC000236480125 600461998 /nfs/dbraw/zinc/46/19/98/600461998.db2.gz BCHSWTWJOBZNGD-UHFFFAOYSA-N -1 0 280.261 2.329 20 5 CEBDRM Cc1nccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC000217320057 600810414 /nfs/dbraw/zinc/81/04/14/600810414.db2.gz RYYKBIXCZPETNX-UHFFFAOYSA-N -1 0 275.220 2.184 20 5 CEBDRM COc1ccc(OC/C=C(/C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000088629628 601098009 /nfs/dbraw/zinc/09/80/09/601098009.db2.gz PHALXWGAZDSHKV-YVMONPNESA-N -1 0 267.237 2.013 20 5 CEBDRM C/C(=C/COc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000214719392 601099316 /nfs/dbraw/zinc/09/93/16/601099316.db2.gz MCRIOMFZZQYJES-DAXSKMNVSA-N -1 0 255.201 2.144 20 5 CEBDRM C[C@H](SCCOc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827909308 601346062 /nfs/dbraw/zinc/34/60/62/601346062.db2.gz WWOGRDNLPOGZTL-QMMMGPOBSA-N -1 0 271.294 2.180 20 5 CEBDRM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000827942079 601438436 /nfs/dbraw/zinc/43/84/36/601438436.db2.gz OTOUYLCRFIJEID-RNCFNFMXSA-N -1 0 282.271 2.154 20 5 CEBDRM C[C@@H](CCCO)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827412645 601565134 /nfs/dbraw/zinc/56/51/34/601565134.db2.gz NEARNOHPMGCASA-STUBTGCMSA-N -1 0 294.307 2.266 20 5 CEBDRM Cc1nn(Cc2ccsc2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000104336346 601804276 /nfs/dbraw/zinc/80/42/76/601804276.db2.gz ASQYFPSSMZLNMM-UHFFFAOYSA-N -1 0 281.293 2.216 20 5 CEBDRM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000828799713 602026318 /nfs/dbraw/zinc/02/63/18/602026318.db2.gz HYSZGPVICKNHQW-UHFFFAOYSA-N -1 0 296.323 2.424 20 5 CEBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)CC(=O)[O-] ZINC000832874923 602067788 /nfs/dbraw/zinc/06/77/88/602067788.db2.gz QBJWRUZDZIYGFU-SECBINFHSA-N -1 0 280.280 2.261 20 5 CEBDRM CCN(CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000739400008 602865950 /nfs/dbraw/zinc/86/59/50/602865950.db2.gz PSGRICUQSNSQGQ-VIFPVBQESA-N -1 0 296.279 2.199 20 5 CEBDRM Cc1cnc(NC[C@H](NC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000830633821 603208751 /nfs/dbraw/zinc/20/87/51/603208751.db2.gz AQCQJQCAAHUCTR-VIFPVBQESA-N -1 0 282.300 2.002 20 5 CEBDRM Cc1cc(NCC2CCN(C(=O)[O-])CC2)ncc1[N+](=O)[O-] ZINC000830122731 603890174 /nfs/dbraw/zinc/89/01/74/603890174.db2.gz PAZIEJLLVPAGRS-UHFFFAOYSA-N -1 0 294.311 2.100 20 5 CEBDRM C[C@H](O)CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827796194 604266492 /nfs/dbraw/zinc/26/64/92/604266492.db2.gz NDFTWFLOFSASQN-LURJTMIESA-N -1 0 288.687 2.129 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000830427676 604830898 /nfs/dbraw/zinc/83/08/98/604830898.db2.gz MJIMNHRKHQTOCY-SNVBAGLBSA-N -1 0 279.296 2.140 20 5 CEBDRM CC1=C(C(=O)[O-])C[C@@H](COc2ccc(C)cc2[N+](=O)[O-])O1 ZINC000833580088 604887218 /nfs/dbraw/zinc/88/72/18/604887218.db2.gz PFZVJFQZPDRACN-JTQLQIEISA-N -1 0 293.275 2.430 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000830428785 604899710 /nfs/dbraw/zinc/89/97/10/604899710.db2.gz ZNBPGIUAJPIQLA-SECBINFHSA-N -1 0 282.300 2.002 20 5 CEBDRM C[C@@H](Nc1cncc(C(=O)[O-])n1)c1ccccc1[N+](=O)[O-] ZINC000833525453 605196286 /nfs/dbraw/zinc/19/62/86/605196286.db2.gz PMUCXAJSVFAGJY-MRVPVSSYSA-N -1 0 288.263 2.256 20 5 CEBDRM C[C@@H](NC(=O)[O-])[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000833818601 605498710 /nfs/dbraw/zinc/49/87/10/605498710.db2.gz QELNCCOKFSSKGL-SFYZADRCSA-N -1 0 285.325 2.139 20 5 CEBDRM C[C@@H](CCNc1c(F)cc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000833805912 605762361 /nfs/dbraw/zinc/76/23/61/605762361.db2.gz UHDGQEHQEJLEEC-LURJTMIESA-N -1 0 289.238 2.331 20 5 CEBDRM O=C([O-])N[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000832392488 605917252 /nfs/dbraw/zinc/91/72/52/605917252.db2.gz WXBZLLNIEWTBBT-VIFPVBQESA-N -1 0 299.714 2.090 20 5 CEBDRM O=C([O-])N[C@@H](CNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000834150882 605922679 /nfs/dbraw/zinc/92/26/79/605922679.db2.gz PZKLWAAPMHFVFZ-ZETCQYMHSA-N -1 0 271.298 2.114 20 5 CEBDRM O=C([O-])N1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000834097654 605991608 /nfs/dbraw/zinc/99/16/08/605991608.db2.gz DBQRNOUDUAVRJL-MRVPVSSYSA-N -1 0 285.325 2.458 20 5 CEBDRM Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000162572156 628352650 /nfs/dbraw/zinc/35/26/50/628352650.db2.gz FZSGEIMZGVWEOJ-SECBINFHSA-N -1 0 267.285 2.067 20 5 CEBDRM CC(C)CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000797427789 630232923 /nfs/dbraw/zinc/23/29/23/630232923.db2.gz DZMJNJRIWLDTLJ-UHFFFAOYSA-N -1 0 295.295 2.413 20 5 CEBDRM COc1c(O)ccc(CN2CC[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000895726611 630316930 /nfs/dbraw/zinc/31/69/30/630316930.db2.gz BGTJVSNHGFOYTJ-QMMMGPOBSA-N -1 0 288.250 2.148 20 5 CEBDRM CO[C@H](C)c1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC000899349653 632799507 /nfs/dbraw/zinc/79/95/07/632799507.db2.gz JASBQGHTCIRWJG-SECBINFHSA-N -1 0 277.280 2.031 20 5 CEBDRM CSC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000831243900 637263560 /nfs/dbraw/zinc/26/35/60/637263560.db2.gz PYFXDUTYIIGCJX-UHFFFAOYSA-N -1 0 270.310 2.381 20 5 CEBDRM O=C([O-])[C@]12C[C@H]1C[C@H](Nc1ccc([N+](=O)[O-])s1)C2 ZINC000910482663 638071539 /nfs/dbraw/zinc/07/15/39/638071539.db2.gz XJXYMSROXNVLSL-BUYFANAVSA-N -1 0 268.294 2.322 20 5 CEBDRM C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1CC(=O)[O-] ZINC000910489843 638074186 /nfs/dbraw/zinc/07/41/86/638074186.db2.gz CPHLJIDDVYENOI-HTQZYQBOSA-N -1 0 270.310 2.203 20 5 CEBDRM C[C@H]1C[C@@H](C(=O)OCc2cc([O-])ccc2[N+](=O)[O-])CCO1 ZINC000837617053 639310471 /nfs/dbraw/zinc/31/04/71/639310471.db2.gz UXYBNBUOENFOKN-UWVGGRQHSA-N -1 0 295.291 2.159 20 5 CEBDRM COCCC(C)(C)C(=O)OCc1cc([O-])ccc1[N+](=O)[O-] ZINC000837638032 639320398 /nfs/dbraw/zinc/32/03/98/639320398.db2.gz ZECVHMUYNYFFIL-UHFFFAOYSA-N -1 0 297.307 2.406 20 5 CEBDRM CO[C@H](C(=O)OCc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000837645981 639324700 /nfs/dbraw/zinc/32/47/00/639324700.db2.gz KEUVQYSRXIXDDG-LBPRGKRZSA-N -1 0 283.280 2.015 20 5 CEBDRM COc1cc(N[C@H](C(=O)[O-])C(C)C)ccc1[N+](=O)[O-] ZINC000104246486 639730234 /nfs/dbraw/zinc/73/02/34/639730234.db2.gz JWXRTIHSYRVJNO-NSHDSACASA-N -1 0 268.269 2.125 20 5 CEBDRM CC1(C(=O)[O-])CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000062843621 639787757 /nfs/dbraw/zinc/78/77/57/639787757.db2.gz FFWKAWVMNYHJSV-UHFFFAOYSA-N -1 0 282.271 2.425 20 5 CEBDRM O=C([O-])Cc1ccc(NCCCCCCO)c([N+](=O)[O-])c1 ZINC000844206858 640632018 /nfs/dbraw/zinc/63/20/18/640632018.db2.gz WODDVFXHYNYQLX-UHFFFAOYSA-N -1 0 296.323 2.187 20 5 CEBDRM CSCCCN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000844209908 640632925 /nfs/dbraw/zinc/63/29/25/640632925.db2.gz ZJPQKSKRIKJXPR-UHFFFAOYSA-N -1 0 298.364 2.411 20 5 CEBDRM Cc1ccc(N2CCSC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000844220040 640635124 /nfs/dbraw/zinc/63/51/24/640635124.db2.gz ZMCLWRSUZZWVHT-JTQLQIEISA-N -1 0 296.348 2.157 20 5 CEBDRM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000755637572 644538359 /nfs/dbraw/zinc/53/83/59/644538359.db2.gz GEHQWMYKSXBBEB-QMMMGPOBSA-N -1 0 275.264 2.120 20 5 CEBDRM O=C(OCC1(C2CC2)CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000764849851 645699280 /nfs/dbraw/zinc/69/92/80/645699280.db2.gz BRJSLJQIFFLIDH-UHFFFAOYSA-N -1 0 294.307 2.287 20 5 CEBDRM O=C(NOC1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000779316840 647310487 /nfs/dbraw/zinc/31/04/87/647310487.db2.gz MEBJJTIRNCUYCK-UHFFFAOYSA-N -1 0 280.280 2.295 20 5 CEBDRM O=C(NCC[C@@H]1CCCS1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000871033684 648985005 /nfs/dbraw/zinc/98/50/05/648985005.db2.gz FHTCLWVUJYZYOM-JTQLQIEISA-N -1 0 296.348 2.316 20 5 CEBDRM C[C@H](CN(C)c1c2ccccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC000130324802 652242337 /nfs/dbraw/zinc/24/23/37/652242337.db2.gz XFLDSIQHWIVUFC-SECBINFHSA-N -1 0 289.291 2.300 20 5 CEBDRM