smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436883595 816776238 /nfs/dbraw/zinc/77/62/38/816776238.db2.gz GPIPTGUNMAUODF-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c[n-]1 ZINC000789739038 933173220 /nfs/dbraw/zinc/17/32/20/933173220.db2.gz IWZZUARQCHJFNZ-UHFFFAOYSA-N -2 3 358.307 1.435 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000275039724 181223294 /nfs/dbraw/zinc/22/32/94/181223294.db2.gz VJPYAXKDDNLBQO-VIFPVBQESA-N -2 3 374.371 1.161 20 5 FDBDHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275261288 181273728 /nfs/dbraw/zinc/27/37/28/181273728.db2.gz MHBSJTHMDZLESV-ZETCQYMHSA-N -2 3 358.706 1.635 20 5 FDBDHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000547877320 542473505 /nfs/dbraw/zinc/47/35/05/542473505.db2.gz XBHYEOAFTMIELB-UHFFFAOYSA-N -2 3 371.396 1.199 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c1C ZINC000548590833 542712859 /nfs/dbraw/zinc/71/28/59/542712859.db2.gz AUIXTQMUGSFVNU-UHFFFAOYSA-N -2 3 354.340 1.981 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000554665392 543847835 /nfs/dbraw/zinc/84/78/35/543847835.db2.gz FXDLSRRGLLPEBW-OQPBUACISA-N -2 3 358.372 1.381 20 5 FDBDHL COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000029337486 519288075 /nfs/dbraw/zinc/28/80/75/519288075.db2.gz CGWQUERLURILQN-UHFFFAOYSA-N -2 3 366.351 1.817 20 5 FDBDHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000298925785 537374078 /nfs/dbraw/zinc/37/40/78/537374078.db2.gz CYIKPOUMRIPVSE-ZCFIWIBFSA-N -2 3 367.177 1.499 20 5 FDBDHL C[C@H]1CN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@H](C)O1 ZINC000324949963 537623485 /nfs/dbraw/zinc/62/34/85/537623485.db2.gz GQISAZIOODORHJ-IUCAKERBSA-N -2 3 359.360 1.059 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000325282824 537625083 /nfs/dbraw/zinc/62/50/83/537625083.db2.gz KQANTAZQQGWDAT-UHFFFAOYSA-N -2 3 356.312 1.373 20 5 FDBDHL CN(C)C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000566317492 547709818 /nfs/dbraw/zinc/70/98/18/547709818.db2.gz QUKHLBBXGVGOSE-UHFFFAOYSA-N -2 3 357.388 1.056 20 5 FDBDHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566317119 547709900 /nfs/dbraw/zinc/70/99/00/547709900.db2.gz WOZLSSPUZQELMG-ZJUUUORDSA-N -2 3 358.372 1.244 20 5 FDBDHL CCC(O)(CC)CC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566975994 547949781 /nfs/dbraw/zinc/94/97/81/547949781.db2.gz HOQXIPMELRKCEM-UHFFFAOYSA-N -2 3 360.388 1.513 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c1[N+](=O)[O-] ZINC000569851597 549070818 /nfs/dbraw/zinc/07/08/18/549070818.db2.gz KBHZEYKKILOQAI-IEBDPFPHSA-N -2 3 356.356 1.139 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC000570159315 549179327 /nfs/dbraw/zinc/17/93/27/549179327.db2.gz GFEYSJBSNVHCTK-UHFFFAOYSA-N -2 3 358.372 1.205 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c1[N+](=O)[O-] ZINC000582177097 551186478 /nfs/dbraw/zinc/18/64/78/551186478.db2.gz ZGDAWPKCXAIBLT-LLVKDONJSA-N -2 3 368.371 1.049 20 5 FDBDHL CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000582608736 551247767 /nfs/dbraw/zinc/24/77/67/551247767.db2.gz KUABZIMGGGASJW-JTQLQIEISA-N -2 3 358.372 1.529 20 5 FDBDHL CCOC1CC(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000584842017 551558542 /nfs/dbraw/zinc/55/85/42/551558542.db2.gz NQHBDCBJWUSSQI-UHFFFAOYSA-N -2 3 372.399 1.777 20 5 FDBDHL CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)on1 ZINC000593309560 552087076 /nfs/dbraw/zinc/08/70/76/552087076.db2.gz BPNLIHJWVNYFJH-UHFFFAOYSA-N -2 3 369.355 1.883 20 5 FDBDHL O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000738369268 598842685 /nfs/dbraw/zinc/84/26/85/598842685.db2.gz JUUQTPBPAOUARY-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000738369268 598842687 /nfs/dbraw/zinc/84/26/87/598842687.db2.gz JUUQTPBPAOUARY-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000831590864 601267457 /nfs/dbraw/zinc/26/74/57/601267457.db2.gz OHTDCTOGWOQJIQ-LBPRGKRZSA-N -2 3 366.779 1.406 20 5 FDBDHL O=C([O-])c1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc(F)c1F ZINC000833304004 602309800 /nfs/dbraw/zinc/30/98/00/602309800.db2.gz HKOQHWJWIZJBLJ-UHFFFAOYSA-N -2 3 374.281 1.272 20 5 FDBDHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000740614905 603070201 /nfs/dbraw/zinc/07/02/01/603070201.db2.gz VBPXSCLDSFVTHT-VIFPVBQESA-N -2 3 363.779 1.573 20 5 FDBDHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834078400 605425883 /nfs/dbraw/zinc/42/58/83/605425883.db2.gz PPPNZDBXXKWAEH-MRVPVSSYSA-N -2 3 363.779 1.526 20 5 FDBDHL Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826272522 608757732 /nfs/dbraw/zinc/75/77/32/608757732.db2.gz OFGSECALSCPCIQ-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1-c1nnn[n-]1 ZINC000826200955 609501076 /nfs/dbraw/zinc/50/10/76/609501076.db2.gz QPXNNFSEONXCDN-UHFFFAOYSA-N -2 3 370.325 1.419 20 5 FDBDHL COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1-c1nn[n-]n1 ZINC000826200955 609501078 /nfs/dbraw/zinc/50/10/78/609501078.db2.gz QPXNNFSEONXCDN-UHFFFAOYSA-N -2 3 370.325 1.419 20 5 FDBDHL CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000389374988 678777057 /nfs/dbraw/zinc/77/70/57/678777057.db2.gz BDCLZDSCZCSCRC-MRVPVSSYSA-N -2 3 352.752 1.016 20 5 FDBDHL Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000522598468 539570292 /nfs/dbraw/zinc/57/02/92/539570292.db2.gz DWTOHSCDXGBKSU-UHFFFAOYSA-N -2 3 365.323 1.546 20 5 FDBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000534318303 540353352 /nfs/dbraw/zinc/35/33/52/540353352.db2.gz ZYMKUSXFKKTPKN-UHFFFAOYSA-N -3 3 356.287 1.939 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275361071 181299700 /nfs/dbraw/zinc/29/97/00/181299700.db2.gz XJWBEGLPFIVPJI-XYPYZODXSA-N -2 3 372.399 1.773 20 5 FDBDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)F ZINC000558273266 544406873 /nfs/dbraw/zinc/40/68/73/544406873.db2.gz KWQPWVHMHYNANW-ZCFIWIBFSA-N -2 3 372.733 1.883 20 5 FDBDHL O=C(C[N-]S(=O)(=O)c1cccs1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000558334883 544411414 /nfs/dbraw/zinc/41/14/14/544411414.db2.gz XKGADZDYGAHZBF-UHFFFAOYSA-N -2 3 357.369 1.279 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000325514725 537625932 /nfs/dbraw/zinc/62/59/32/537625932.db2.gz PDEVPGCMVBZWMY-WDEREUQCSA-N -2 3 358.372 1.525 20 5 FDBDHL CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000414329279 537781537 /nfs/dbraw/zinc/78/15/37/537781537.db2.gz BCEUNTKRKHJFKA-SNVBAGLBSA-N -2 3 358.372 1.529 20 5 FDBDHL COc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)ccc1[N+](=O)[O-] ZINC000564203425 546842605 /nfs/dbraw/zinc/84/26/05/546842605.db2.gz KKQDZRIYMUSGBK-SSDOTTSWSA-N -2 3 368.314 1.238 20 5 FDBDHL CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1(C)C ZINC000565060418 547181942 /nfs/dbraw/zinc/18/19/42/547181942.db2.gz BCFNVJSAXKKTAS-IAQYHMDHSA-N -2 3 372.399 1.775 20 5 FDBDHL C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570098146 549157696 /nfs/dbraw/zinc/15/76/96/549157696.db2.gz OKOVJRQWSHDNKP-MWLCHTKSSA-N -2 3 358.372 1.529 20 5 FDBDHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CN1C1CC1 ZINC000575873068 550485872 /nfs/dbraw/zinc/48/58/72/550485872.db2.gz GLYCQRFWNFHKJF-VHSXEESVSA-N -2 3 369.399 1.197 20 5 FDBDHL CSC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCC1 ZINC000576948471 550603373 /nfs/dbraw/zinc/60/33/73/550603373.db2.gz ZEJHIQULNDMNMT-UHFFFAOYSA-N -2 3 360.413 1.857 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000583688913 551387874 /nfs/dbraw/zinc/38/78/74/551387874.db2.gz KDWDIHHKWNVZDX-NWDGAFQWSA-N -2 3 372.399 1.370 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000584712726 551534360 /nfs/dbraw/zinc/53/43/60/551534360.db2.gz AZYKMPLEMWUQFT-ZETCQYMHSA-N -2 3 356.278 1.587 20 5 FDBDHL C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862245 551694727 /nfs/dbraw/zinc/69/47/27/551694727.db2.gz OQKWSPJYFGMSCR-VHSXEESVSA-N -2 3 374.353 1.794 20 5 FDBDHL CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593309427 552087040 /nfs/dbraw/zinc/08/70/40/552087040.db2.gz WMUGIPRNTDJXQV-SECBINFHSA-N -2 3 374.371 1.159 20 5 FDBDHL CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000593941377 552230478 /nfs/dbraw/zinc/23/04/78/552230478.db2.gz LGWNWVRYUOEPOP-XYPYZODXSA-N -2 3 372.399 1.917 20 5 FDBDHL C[C@H](CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594670898 552351560 /nfs/dbraw/zinc/35/15/60/552351560.db2.gz BOQHWHXHQHLZHN-SNVBAGLBSA-N -2 3 367.383 1.922 20 5 FDBDHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594673142 552352766 /nfs/dbraw/zinc/35/27/66/552352766.db2.gz HQHWOIIAVWJHTH-CYBMUJFWSA-N -2 3 367.383 1.921 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000614337591 555039691 /nfs/dbraw/zinc/03/96/91/555039691.db2.gz VEEQISGKCKBPGR-CYBMUJFWSA-N -2 3 372.305 1.977 20 5 FDBDHL C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000760101516 600702040 /nfs/dbraw/zinc/70/20/40/600702040.db2.gz FPMKFCPBFFNOPP-YFKPBYRVSA-N -2 3 353.150 1.109 20 5 FDBDHL C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820392636 607232566 /nfs/dbraw/zinc/23/25/66/607232566.db2.gz XOVNXGLPZZBXQD-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000824755271 608015038 /nfs/dbraw/zinc/01/50/38/608015038.db2.gz KTBYWCTVYIDRGC-VIFPVBQESA-N -2 3 370.325 1.887 20 5 FDBDHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000824755271 608015039 /nfs/dbraw/zinc/01/50/39/608015039.db2.gz KTBYWCTVYIDRGC-VIFPVBQESA-N -2 3 370.325 1.887 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000446101253 682477247 /nfs/dbraw/zinc/47/72/47/682477247.db2.gz YHWJZRHOXMAIRX-UHFFFAOYSA-N -2 3 357.373 1.379 20 5 FDBDHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000436757414 816698209 /nfs/dbraw/zinc/69/82/09/816698209.db2.gz UZNYHARSDOPFRE-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000760337081 839819739 /nfs/dbraw/zinc/81/97/39/839819739.db2.gz JTDXQIQMBNDGKW-UHFFFAOYSA-N -2 3 367.343 1.005 20 5 FDBDHL Cn1c2cc([O-])c(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000461616761 843087650 /nfs/dbraw/zinc/08/76/50/843087650.db2.gz DBDKAPICDNGMOZ-UHFFFAOYSA-N -2 3 358.310 1.449 20 5 FDBDHL Cc1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc(C(=O)[O-])c1F ZINC000763290718 880420509 /nfs/dbraw/zinc/42/05/09/880420509.db2.gz LPSLOWOXLVKYMT-UHFFFAOYSA-N -2 3 370.318 1.441 20 5 FDBDHL O=C([N-]C1(c2nn[n-]n2)CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778285900 1005819555 /nfs/dbraw/zinc/81/95/55/1005819555.db2.gz QEZOEFKXBPQENW-UHFFFAOYSA-N -2 3 352.301 1.785 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275174028 181254191 /nfs/dbraw/zinc/25/41/91/181254191.db2.gz CLSKNDMVKZJRAF-QMMMGPOBSA-N -2 3 356.278 1.587 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1C ZINC000275317108 181288531 /nfs/dbraw/zinc/28/85/31/181288531.db2.gz RXZVZIQHBOZZQJ-QMMMGPOBSA-N -2 3 370.305 1.896 20 5 FDBDHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nccs1 ZINC000546254977 542132630 /nfs/dbraw/zinc/13/26/30/542132630.db2.gz OHPDGRGPEVHFDN-UHFFFAOYSA-N -2 3 371.396 1.963 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC000547939121 542494287 /nfs/dbraw/zinc/49/42/87/542494287.db2.gz YFAGAIABXBFKEU-GFCCVEGCSA-N -2 3 372.399 1.451 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000548589271 542712244 /nfs/dbraw/zinc/71/22/44/542712244.db2.gz JPFOYFICHSPQBO-ZDUSSCGKSA-N -2 3 372.305 1.977 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000556778614 544200172 /nfs/dbraw/zinc/20/01/72/544200172.db2.gz PHBFCRPJYFSCFK-OAHLLOKOSA-N -2 3 372.399 1.915 20 5 FDBDHL 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ZINC000826470150 609502347 /nfs/dbraw/zinc/50/23/47/609502347.db2.gz FHJKNZDLCZOUDV-UHFFFAOYSA-N -2 3 352.310 1.683 20 5 FDBDHL Cc1nc(C=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000794711635 973784748 /nfs/dbraw/zinc/78/47/48/973784748.db2.gz FRZILEGLPMXNHO-IHWYPQMZSA-N -2 3 373.321 1.968 20 5 FDBDHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000274921915 181195318 /nfs/dbraw/zinc/19/53/18/181195318.db2.gz AYOHYPXBDDBIFF-VIFPVBQESA-N -2 3 374.371 1.001 20 5 FDBDHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275021514 181219531 /nfs/dbraw/zinc/21/95/31/181219531.db2.gz OUVRUXVWWIVHGR-VIFPVBQESA-N -2 3 374.371 1.144 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000282635452 182035223 /nfs/dbraw/zinc/03/52/23/182035223.db2.gz CLGLMYUGSMQWJW-UHFFFAOYSA-N -2 3 354.262 1.509 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000548549245 542699467 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Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000527051467 694651405 /nfs/dbraw/zinc/65/14/05/694651405.db2.gz NCTNFFVFKPWNMD-QMMMGPOBSA-N -2 3 363.398 1.525 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c[n-]1 ZINC000789739080 933173177 /nfs/dbraw/zinc/17/31/77/933173177.db2.gz JNWFJHHGMOXSKC-UHFFFAOYSA-N -2 3 374.762 1.949 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826304511 981979419 /nfs/dbraw/zinc/97/94/19/981979419.db2.gz NVXZOVLJLXRUQN-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000274872005 181181886 /nfs/dbraw/zinc/18/18/86/181181886.db2.gz ATZIDBHGHMANBM-LLVKDONJSA-N -2 3 374.371 1.303 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-] ZINC000274939136 181200675 /nfs/dbraw/zinc/20/06/75/181200675.db2.gz QOLGZFSYWGOPOQ-ZCFIWIBFSA-N -2 3 367.177 1.356 20 5 FDBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000275050415 181224802 /nfs/dbraw/zinc/22/48/02/181224802.db2.gz IAXMBIJCCBCIQB-UFBFGSQYSA-N -2 3 374.371 1.159 20 5 FDBDHL Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000275175854 181254906 /nfs/dbraw/zinc/25/49/06/181254906.db2.gz CQRCYRUJFXCNGU-MRVPVSSYSA-N -2 3 372.733 1.943 20 5 FDBDHL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000538703774 540882760 /nfs/dbraw/zinc/88/27/60/540882760.db2.gz KKPTWHMIICGUGD-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000538703774 540882763 /nfs/dbraw/zinc/88/27/63/540882763.db2.gz KKPTWHMIICGUGD-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000538872584 540903047 /nfs/dbraw/zinc/90/30/47/540903047.db2.gz ITJFYZYNJQSLIZ-UHFFFAOYSA-N -2 3 355.328 1.396 20 5 FDBDHL 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C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513341 609159347 /nfs/dbraw/zinc/15/93/47/609159347.db2.gz BHTRZXITVXXDLI-SECBINFHSA-N -2 3 354.326 1.972 20 5 FDBDHL CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(=O)[O-] ZINC000389374993 678776966 /nfs/dbraw/zinc/77/69/66/678776966.db2.gz BDCLZDSCZCSCRC-QMMMGPOBSA-N -2 3 352.752 1.016 20 5 FDBDHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000414348011 679341065 /nfs/dbraw/zinc/34/10/65/679341065.db2.gz WKVDRSOQRDUZSH-UHFFFAOYSA-N -2 3 369.355 1.712 20 5 FDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436837965 681735468 /nfs/dbraw/zinc/73/54/68/681735468.db2.gz IXNVDEBKCRBXKV-UHFFFAOYSA-N -3 3 368.323 1.813 20 5 FDBDHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436979630 816828481 /nfs/dbraw/zinc/82/84/81/816828481.db2.gz ZPXILLPKWHDGHE-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL 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Cc1cccnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000545544414 541996082 /nfs/dbraw/zinc/99/60/82/541996082.db2.gz KHHPHJZDSMPMLQ-UHFFFAOYSA-N -2 3 365.367 1.783 20 5 FDBDHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547933700 542492166 /nfs/dbraw/zinc/49/21/66/542492166.db2.gz VTCBXQIGSILCFR-YPMHNXCESA-N -2 3 360.388 1.104 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000548201045 542582887 /nfs/dbraw/zinc/58/28/87/542582887.db2.gz FGLIRURQBBGBKX-CYBMUJFWSA-N -2 3 366.351 1.713 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548532744 542692886 /nfs/dbraw/zinc/69/28/86/542692886.db2.gz KTOMGBMYINNBLA-RKDXNWHRSA-N -2 3 364.401 1.123 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000548538075 542694627 /nfs/dbraw/zinc/69/46/27/542694627.db2.gz JSTPNRBVRCCALP-UHFFFAOYSA-N -2 3 363.398 1.598 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000558685867 544504237 /nfs/dbraw/zinc/50/42/37/544504237.db2.gz KALGLONEPVPVCN-ZYHUDNBSSA-N -2 3 356.400 1.989 20 5 FDBDHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000275203927 537543909 /nfs/dbraw/zinc/54/39/09/537543909.db2.gz GZEQEDZFQKKPMX-QMMMGPOBSA-N -2 3 356.278 1.420 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000325870245 537627718 /nfs/dbraw/zinc/62/77/18/537627718.db2.gz KURQGMMXBTYDQK-GFCCVEGCSA-N -2 3 372.380 1.769 20 5 FDBDHL CC(C)(C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OCC1CC1 ZINC000563231674 546457501 /nfs/dbraw/zinc/45/75/01/546457501.db2.gz LFIHIFSIMHHLAT-UHFFFAOYSA-N -2 3 372.399 1.777 20 5 FDBDHL CCOC1CC(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000574760094 550366072 /nfs/dbraw/zinc/36/60/72/550366072.db2.gz QCPHQQXORMBJII-UHFFFAOYSA-N -2 3 372.399 1.777 20 5 FDBDHL Cc1c([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cnn1C ZINC000576948380 550603409 /nfs/dbraw/zinc/60/34/09/550603409.db2.gz WBUQOVRCMLYSGZ-MRVPVSSYSA-N -2 3 368.371 1.374 20 5 FDBDHL CCOC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000579479907 550878160 /nfs/dbraw/zinc/87/81/60/550878160.db2.gz HQRAQKSZIZKOFU-UHFFFAOYSA-N -2 3 372.399 1.921 20 5 FDBDHL CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000584842466 551558735 /nfs/dbraw/zinc/55/87/35/551558735.db2.gz UDDIJIQGGJMZNL-SECBINFHSA-N -2 3 358.372 1.529 20 5 FDBDHL C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000590368213 551776251 /nfs/dbraw/zinc/77/62/51/551776251.db2.gz TWNIIEGPIRJQEN-NXEZZACHSA-N -2 3 374.353 1.794 20 5 FDBDHL C[C@](CCF)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-] ZINC000594720969 552363379 /nfs/dbraw/zinc/36/33/79/552363379.db2.gz RKNOUPBNAKUKLJ-CQSZACIVSA-N -2 3 371.346 1.624 20 5 FDBDHL O=C([O-])[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600666648 553296514 /nfs/dbraw/zinc/29/65/14/553296514.db2.gz ZXTDAWZYRBDUDZ-QWRGUYRKSA-N -2 3 358.372 1.143 20 5 FDBDHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674207 568275852 /nfs/dbraw/zinc/27/58/52/568275852.db2.gz OQBKFLXDDJRGEW-UHFFFAOYSA-N -2 3 351.340 1.924 20 5 FDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738371009 598596032 /nfs/dbraw/zinc/59/60/32/598596032.db2.gz ZZMOQJKVWNTOQL-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738371009 598596033 /nfs/dbraw/zinc/59/60/33/598596033.db2.gz ZZMOQJKVWNTOQL-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000823215997 599469896 /nfs/dbraw/zinc/46/98/96/599469896.db2.gz UTJINKZISUVYOD-UHFFFAOYSA-N -2 3 370.325 1.289 20 5 FDBDHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000740610674 603068448 /nfs/dbraw/zinc/06/84/48/603068448.db2.gz AGMLJYGGINMURU-JTQLQIEISA-N -2 3 363.779 1.573 20 5 FDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC000826291700 608101231 /nfs/dbraw/zinc/10/12/31/608101231.db2.gz RLDIBLRORWSVMZ-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC000826291700 608101232 /nfs/dbraw/zinc/10/12/32/608101232.db2.gz RLDIBLRORWSVMZ-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826428048 609501671 /nfs/dbraw/zinc/50/16/71/609501671.db2.gz MSNHTFDOOSCIMX-UHFFFAOYSA-N -2 3 366.337 1.900 20 5 FDBDHL O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826428048 609501672 /nfs/dbraw/zinc/50/16/72/609501672.db2.gz MSNHTFDOOSCIMX-UHFFFAOYSA-N -2 3 366.337 1.900 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1[N+](=O)[O-] ZINC000277299266 674909716 /nfs/dbraw/zinc/90/97/16/674909716.db2.gz RUWPOMMOMFNETL-QMMMGPOBSA-N -2 3 352.315 1.598 20 5 FDBDHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)ccc21 ZINC000475836954 685653185 /nfs/dbraw/zinc/65/31/85/685653185.db2.gz UJMGWWPQJZMOQL-UHFFFAOYSA-N -2 3 365.298 1.418 20 5 FDBDHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000509804376 689312777 /nfs/dbraw/zinc/31/27/77/689312777.db2.gz GZRDBBGMOCNGEE-UHFFFAOYSA-N -2 3 351.340 1.924 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1C ZINC000516811982 689993674 /nfs/dbraw/zinc/99/36/74/689993674.db2.gz ZQYSGFZPPOPJHC-VIFPVBQESA-N -2 3 366.342 1.846 20 5 FDBDHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436773783 816710131 /nfs/dbraw/zinc/71/01/31/816710131.db2.gz QOJCBZGTDHDZTP-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL C[C@](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)(C(=O)[O-])c1ccccc1 ZINC001589069321 955771997 /nfs/dbraw/zinc/77/19/97/955771997.db2.gz DAUBJEQWZWXSOU-OAHLLOKOSA-N -2 3 365.367 1.311 20 5 FDBDHL COc1cnc([C@H]2CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[n-]c1=O ZINC001180059290 965095191 /nfs/dbraw/zinc/09/51/91/965095191.db2.gz FQHOJZXIEVSHGR-GFCCVEGCSA-N -2 3 360.326 1.782 20 5 FDBDHL C[C@]1(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc2)NC(=O)[N-]C1=O ZINC000544912103 541853861 /nfs/dbraw/zinc/85/38/61/541853861.db2.gz OIIBHDWOLYOCTL-MRXNPFEDSA-N -2 3 368.309 1.695 20 5 FDBDHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000547907360 542484347 /nfs/dbraw/zinc/48/43/47/542484347.db2.gz MEVFGTZKWHZHCH-QMMMGPOBSA-N -2 3 350.374 1.065 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547917404 542486922 /nfs/dbraw/zinc/48/69/22/542486922.db2.gz IFDOGHUBFMDSRT-ZDUSSCGKSA-N -2 3 354.315 1.838 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])c1 ZINC000548536728 542694898 /nfs/dbraw/zinc/69/48/98/542694898.db2.gz QRFINUBIMZWDPR-UHFFFAOYSA-N -2 3 358.372 1.063 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000322757051 259049246 /nfs/dbraw/zinc/04/92/46/259049246.db2.gz YTGMFVUIZIOZAN-UHFFFAOYSA-N -2 3 364.763 1.160 20 5 FDBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000024100859 518978120 /nfs/dbraw/zinc/97/81/20/518978120.db2.gz DFLRPTOURABKRV-UHFFFAOYSA-N -2 3 352.324 1.872 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000122925145 524645326 /nfs/dbraw/zinc/64/53/26/524645326.db2.gz LIVUVJCBRGNPCO-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000122925145 524645339 /nfs/dbraw/zinc/64/53/39/524645339.db2.gz LIVUVJCBRGNPCO-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000563081004 546393516 /nfs/dbraw/zinc/39/35/16/546393516.db2.gz MFQFYPQUIXFBHR-NHYWBVRUSA-N -2 3 372.399 1.915 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])Cn1cccn1 ZINC000563625362 546621414 /nfs/dbraw/zinc/62/14/14/546621414.db2.gz MBEKXJJCYXHNFT-SNVBAGLBSA-N -2 3 368.371 1.104 20 5 FDBDHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000565060726 547181899 /nfs/dbraw/zinc/18/18/99/547181899.db2.gz GOQAFDXIABNSCI-NXEZZACHSA-N -2 3 358.372 1.386 20 5 FDBDHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000565644327 547428308 /nfs/dbraw/zinc/42/83/08/547428308.db2.gz HVNHKALFUFUAPE-UHFFFAOYSA-N -2 3 356.278 1.757 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000579184786 550844696 /nfs/dbraw/zinc/84/46/96/550844696.db2.gz BKSLVUUVPUPDAD-UHFFFAOYSA-N -2 3 360.388 1.773 20 5 FDBDHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000579360115 550865346 /nfs/dbraw/zinc/86/53/46/550865346.db2.gz BMYUYAABXTWCMQ-DOFRTFSJSA-N -2 3 358.372 1.527 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000583688912 551387803 /nfs/dbraw/zinc/38/78/03/551387803.db2.gz KDWDIHHKWNVZDX-NEPJUHHUSA-N -2 3 372.399 1.370 20 5 FDBDHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])no1 ZINC000592136532 551947897 /nfs/dbraw/zinc/94/78/97/551947897.db2.gz KWGJZMGLMVKRRC-UHFFFAOYSA-N -2 3 370.343 1.198 20 5 FDBDHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594673143 552352804 /nfs/dbraw/zinc/35/28/04/552352804.db2.gz HQHWOIIAVWJHTH-ZDUSSCGKSA-N -2 3 367.383 1.921 20 5 FDBDHL Cc1cc(CS(=O)(=O)[N-][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)on1 ZINC000600666340 553296478 /nfs/dbraw/zinc/29/64/78/553296478.db2.gz QDYPPDBZRRJAFN-CQSZACIVSA-N -2 3 369.355 1.311 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000619470929 555782806 /nfs/dbraw/zinc/78/28/06/555782806.db2.gz SDMGZQCXGYFALW-IUODEOHRSA-N -2 3 372.399 1.915 20 5 FDBDHL Cn1c2cc([O-])c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2n(C)c1=O ZINC000436622627 568059058 /nfs/dbraw/zinc/05/90/58/568059058.db2.gz XJYZHVVWKAQJIY-UHFFFAOYSA-N -2 3 358.310 1.449 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000823644272 599231803 /nfs/dbraw/zinc/23/18/03/599231803.db2.gz JCKOPPQQHHQOOB-UHFFFAOYSA-N -2 3 353.345 1.032 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000823644272 599231805 /nfs/dbraw/zinc/23/18/05/599231805.db2.gz JCKOPPQQHHQOOB-UHFFFAOYSA-N -2 3 353.345 1.032 20 5 FDBDHL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000738806198 602566930 /nfs/dbraw/zinc/56/69/30/602566930.db2.gz DESZZMCUDDFXBG-SECBINFHSA-N -2 3 363.367 1.695 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000822211609 607026218 /nfs/dbraw/zinc/02/62/18/607026218.db2.gz HKZMQNOWFTXXGH-UHFFFAOYSA-N -2 3 367.372 1.341 20 5 FDBDHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826441853 608866322 /nfs/dbraw/zinc/86/63/22/608866322.db2.gz YIAILWPFPNUFCI-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826441853 608866323 /nfs/dbraw/zinc/86/63/23/608866323.db2.gz YIAILWPFPNUFCI-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1C(N)=O ZINC000499282702 687930748 /nfs/dbraw/zinc/93/07/48/687930748.db2.gz LAPXRYYRSJNPMR-UHFFFAOYSA-N -2 3 365.367 1.817 20 5 FDBDHL COc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000512269640 689601787 /nfs/dbraw/zinc/60/17/87/689601787.db2.gz XWRUPNTUQRJAIF-UHFFFAOYSA-N -2 3 373.372 1.079 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(O)cc1 ZINC000844203937 947872296 /nfs/dbraw/zinc/87/22/96/947872296.db2.gz BKPMQANTOQQZOB-ZDUSSCGKSA-N -2 3 370.314 1.544 20 5 FDBDHL CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)n1 ZINC001597899588 989770920 /nfs/dbraw/zinc/77/09/20/989770920.db2.gz MKQSHORQDZOWRC-UHFFFAOYSA-N -2 3 353.360 1.882 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000530367747 539953037 /nfs/dbraw/zinc/95/30/37/539953037.db2.gz QQOBZBRIOXCQGF-NSHDSACASA-N -2 3 358.372 1.525 20 5 FDBDHL C[C@@H](CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-] ZINC000274918552 181194716 /nfs/dbraw/zinc/19/47/16/181194716.db2.gz AIOWFHYXOGOUDL-VIFPVBQESA-N -2 3 374.371 1.145 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000275375381 181303161 /nfs/dbraw/zinc/30/31/61/181303161.db2.gz ZCLIVKGRBQEEHY-ZETCQYMHSA-N -2 3 372.277 1.287 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1C ZINC000275382368 181304824 /nfs/dbraw/zinc/30/48/24/181304824.db2.gz ZSAPUIXTVONPJV-QMMMGPOBSA-N -2 3 352.315 1.598 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547892236 542479200 /nfs/dbraw/zinc/47/92/00/542479200.db2.gz XTPIQJUYIAKSLB-UHFFFAOYSA-N -2 3 360.388 1.773 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])cc1C ZINC000547899923 542481743 /nfs/dbraw/zinc/48/17/43/542481743.db2.gz GUYAAVUXWAVOEV-GFCCVEGCSA-N -2 3 368.367 1.779 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548552994 542701068 /nfs/dbraw/zinc/70/10/68/542701068.db2.gz JMLUQJZCBBRUAU-LLVKDONJSA-N -2 3 370.339 1.171 20 5 FDBDHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032595839 519516478 /nfs/dbraw/zinc/51/64/78/519516478.db2.gz DFOYBWFBPDPFNZ-UHFFFAOYSA-N -2 3 371.396 1.767 20 5 FDBDHL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000122942116 524648563 /nfs/dbraw/zinc/64/85/63/524648563.db2.gz XXIHSERBECFRAS-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000122942116 524648572 /nfs/dbraw/zinc/64/85/72/524648572.db2.gz XXIHSERBECFRAS-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000290957500 537494211 /nfs/dbraw/zinc/49/42/11/537494211.db2.gz MXTPDGMTIYCCHW-MRVPVSSYSA-N -2 3 366.779 1.325 20 5 FDBDHL CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000566013672 547566976 /nfs/dbraw/zinc/56/69/76/547566976.db2.gz XSVLANSWIMRTQK-ONGXEEELSA-N -2 3 360.388 1.632 20 5 FDBDHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000566913594 547930099 /nfs/dbraw/zinc/93/00/99/547930099.db2.gz YTCMNEYYEHSXQU-UHFFFAOYSA-N -2 3 369.355 1.685 20 5 FDBDHL C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568989128 548758158 /nfs/dbraw/zinc/75/81/58/548758158.db2.gz KDWGCAISOHRBHY-BXKDBHETSA-N -2 3 369.399 1.054 20 5 FDBDHL C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570098148 549157704 /nfs/dbraw/zinc/15/77/04/549157704.db2.gz OKOVJRQWSHDNKP-ONGXEEELSA-N -2 3 358.372 1.529 20 5 FDBDHL COCC1(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000572845793 550008485 /nfs/dbraw/zinc/00/84/85/550008485.db2.gz CCNXPKNQUZOYLP-UHFFFAOYSA-N -2 3 358.372 1.388 20 5 FDBDHL CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000573730116 550201747 /nfs/dbraw/zinc/20/17/47/550201747.db2.gz WLAYSICZURZESX-UWVGGRQHSA-N -2 3 358.372 1.529 20 5 FDBDHL O=C([N-]c1n[n-]c(-c2ccc3ccccc3n2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000590556352 551791869 /nfs/dbraw/zinc/79/18/69/551791869.db2.gz DFLNHSQUGWQPAI-UHFFFAOYSA-N -2 3 350.298 1.904 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000593272231 552080249 /nfs/dbraw/zinc/08/02/49/552080249.db2.gz HGJAXGPMANSMLU-GFCCVEGCSA-N -2 3 356.400 1.991 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000593312222 552087566 /nfs/dbraw/zinc/08/75/66/552087566.db2.gz RBNQBSDMYHCNLC-UHFFFAOYSA-N -2 3 372.399 1.778 20 5 FDBDHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000324574562 597132266 /nfs/dbraw/zinc/13/22/66/597132266.db2.gz DOGMXPWWXDBDQC-UHFFFAOYSA-N -2 3 354.315 1.911 20 5 FDBDHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000740521673 602593248 /nfs/dbraw/zinc/59/32/48/602593248.db2.gz UDMMAQJOFYSIPW-VIFPVBQESA-N -2 3 363.779 1.669 20 5 FDBDHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000834149491 605806270 /nfs/dbraw/zinc/80/62/70/605806270.db2.gz GVNDWEYXMPAURS-SECBINFHSA-N -2 3 363.779 1.573 20 5 FDBDHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000824755269 608014827 /nfs/dbraw/zinc/01/48/27/608014827.db2.gz KTBYWCTVYIDRGC-SECBINFHSA-N -2 3 370.325 1.887 20 5 FDBDHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000824755269 608014828 /nfs/dbraw/zinc/01/48/28/608014828.db2.gz KTBYWCTVYIDRGC-SECBINFHSA-N -2 3 370.325 1.887 20 5 FDBDHL COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414317689 679338649 /nfs/dbraw/zinc/33/86/49/679338649.db2.gz KIPSLQLGYPYHRA-JTQLQIEISA-N -2 3 374.371 1.159 20 5 FDBDHL CS(=O)(=O)[N-]C(=O)Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201229091 974974345 /nfs/dbraw/zinc/97/43/45/974974345.db2.gz BRUIPYDNWYWQNF-UHFFFAOYSA-N -2 3 365.367 1.662 20 5 FDBDHL Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1-c1nn[n-]n1 ZINC000826299881 981924504 /nfs/dbraw/zinc/92/45/04/981924504.db2.gz ZNMUQQGRBHHAAD-UHFFFAOYSA-N -2 3 366.384 1.946 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000274916543 181194037 /nfs/dbraw/zinc/19/40/37/181194037.db2.gz LSFSOFCDARCDKR-ZCFIWIBFSA-N -2 3 367.177 1.356 20 5 FDBDHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000275004460 181216199 /nfs/dbraw/zinc/21/61/99/181216199.db2.gz MGFIZIJXGPFAER-NSHDSACASA-N -2 3 358.372 1.312 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000275036045 181222263 /nfs/dbraw/zinc/22/22/63/181222263.db2.gz QOJZIYYUYASCKG-GFCCVEGCSA-N -2 3 360.388 1.771 20 5 FDBDHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547933699 542492281 /nfs/dbraw/zinc/49/22/81/542492281.db2.gz VTCBXQIGSILCFR-WCQYABFASA-N -2 3 360.388 1.104 20 5 FDBDHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000326759339 537630267 /nfs/dbraw/zinc/63/02/67/537630267.db2.gz IFMBTVRHZYOGTD-UHFFFAOYSA-N -2 3 368.342 1.953 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c([N+](=O)[O-])c1 ZINC000392487410 537780118 /nfs/dbraw/zinc/78/01/18/537780118.db2.gz BGGKHCQMSLIQHR-GFCCVEGCSA-N -2 3 372.380 1.769 20 5 FDBDHL COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424395276 538287836 /nfs/dbraw/zinc/28/78/36/538287836.db2.gz VHVZUYNIULPPEZ-UHFFFAOYSA-N -2 3 374.371 1.161 20 5 FDBDHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568989129 548758117 /nfs/dbraw/zinc/75/81/17/548758117.db2.gz KDWGCAISOHRBHY-CABZTGNLSA-N -2 3 369.399 1.054 20 5 FDBDHL CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000572607449 549954956 /nfs/dbraw/zinc/95/49/56/549954956.db2.gz ZFPRNCYNIXIUOR-SNVBAGLBSA-N -2 3 358.372 1.529 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000572611346 549955595 /nfs/dbraw/zinc/95/55/95/549955595.db2.gz FEGSUJNEIRBFLU-JTQLQIEISA-N -2 3 368.289 1.755 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000575926770 550491738 /nfs/dbraw/zinc/49/17/38/550491738.db2.gz ITTXIKLJPSFYOX-UMNHJUIQSA-N -2 3 356.356 1.139 20 5 FDBDHL CO[C@H]([C@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC000580571327 550996479 /nfs/dbraw/zinc/99/64/79/550996479.db2.gz FZCBKBHLTUHRKA-ISVAXAHUSA-N -2 3 358.372 1.385 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)c1[N+](=O)[O-] ZINC000582544248 551239488 /nfs/dbraw/zinc/23/94/88/551239488.db2.gz BSYCLNPBUKOVPA-UHFFFAOYSA-N -2 3 374.440 1.840 20 5 FDBDHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000582848809 551273616 /nfs/dbraw/zinc/27/36/16/551273616.db2.gz OWJIQPODBPKVKD-NXEZZACHSA-N -2 3 358.372 1.386 20 5 FDBDHL CCOC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000583816324 551406343 /nfs/dbraw/zinc/40/63/43/551406343.db2.gz SWHTWZIUFDYOHG-NSHDSACASA-N -2 3 360.388 1.632 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000584712721 551534554 /nfs/dbraw/zinc/53/45/54/551534554.db2.gz AZYKMPLEMWUQFT-SSDOTTSWSA-N -2 3 356.278 1.587 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c[n-]1 ZINC000585730979 551589384 /nfs/dbraw/zinc/58/93/84/551589384.db2.gz UKJJNCUQFLHPOW-UHFFFAOYSA-N -2 3 368.371 1.858 20 5 FDBDHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)[n-]1 ZINC000585730979 551589386 /nfs/dbraw/zinc/58/93/86/551589386.db2.gz UKJJNCUQFLHPOW-UHFFFAOYSA-N -2 3 368.371 1.858 20 5 FDBDHL 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CSC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000566681510 547851067 /nfs/dbraw/zinc/85/10/67/547851067.db2.gz GUMCVQPPMCKYKR-UHFFFAOYSA-N -2 3 360.413 1.857 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000569109030 548799464 /nfs/dbraw/zinc/79/94/64/548799464.db2.gz VMXDVQRCZORAFL-UHFFFAOYSA-N -2 3 350.299 1.617 20 5 FDBDHL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000569494586 548939179 /nfs/dbraw/zinc/93/91/79/548939179.db2.gz IMPIDJZETATZGR-HSZRJFAPSA-N -2 3 370.408 1.980 20 5 FDBDHL Cc1c([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cnn1C ZINC000571808771 549770627 /nfs/dbraw/zinc/77/06/27/549770627.db2.gz LQKVJNDQAAFGCB-MRVPVSSYSA-N -2 3 368.371 1.374 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)c1C ZINC000574688072 550354596 /nfs/dbraw/zinc/35/45/96/550354596.db2.gz GGMJBKXVIZDRJQ-UHFFFAOYSA-N -2 3 372.399 1.514 20 5 FDBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000588306510 551665862 /nfs/dbraw/zinc/66/58/62/551665862.db2.gz VALVSBHFDIWMMJ-JTQLQIEISA-N -2 3 350.299 1.759 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000592449332 551997414 /nfs/dbraw/zinc/99/74/14/551997414.db2.gz UNOHOULWDHRKKB-ZETCQYMHSA-N -2 3 368.458 1.697 20 5 FDBDHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000593316137 552088413 /nfs/dbraw/zinc/08/84/13/552088413.db2.gz KVEGHVYDLCMFJP-BIMULSAOSA-N -2 3 370.383 1.385 20 5 FDBDHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000594572993 552335466 /nfs/dbraw/zinc/33/54/66/552335466.db2.gz GMGTXZCQYMAKAU-AAEUAGOBSA-N -2 3 372.399 1.450 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000594718923 552363053 /nfs/dbraw/zinc/36/30/53/552363053.db2.gz FQONDOHJDLGURS-LBPRGKRZSA-N -2 3 356.400 1.991 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)cc1C ZINC000619750646 555830634 /nfs/dbraw/zinc/83/06/34/555830634.db2.gz MYORDHRAVOSHGS-HZMBPMFUSA-N -2 3 356.400 1.989 20 5 FDBDHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737534235 599042838 /nfs/dbraw/zinc/04/28/38/599042838.db2.gz IXHSBWBPELFCHD-UHFFFAOYSA-N -2 3 365.331 1.181 20 5 FDBDHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000737534235 599042841 /nfs/dbraw/zinc/04/28/41/599042841.db2.gz IXHSBWBPELFCHD-UHFFFAOYSA-N -2 3 365.331 1.181 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000738367257 598638220 /nfs/dbraw/zinc/63/82/20/598638220.db2.gz OQESCMSGPRPJTF-UHFFFAOYSA-N -2 3 365.306 1.110 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000738367257 598638222 /nfs/dbraw/zinc/63/82/22/598638222.db2.gz OQESCMSGPRPJTF-UHFFFAOYSA-N -2 3 365.306 1.110 20 5 FDBDHL CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000825958284 609499404 /nfs/dbraw/zinc/49/94/04/609499404.db2.gz QELAGHSNYILYFL-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000825958284 609499408 /nfs/dbraw/zinc/49/94/08/609499408.db2.gz QELAGHSNYILYFL-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000760100495 826449058 /nfs/dbraw/zinc/44/90/58/826449058.db2.gz YEATWXKPXNZKJC-ZCFIWIBFSA-N -2 3 367.177 1.499 20 5 FDBDHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1 ZINC000766308084 926644095 /nfs/dbraw/zinc/64/40/95/926644095.db2.gz OFYHAGOOWRFTGT-UHFFFAOYSA-N -2 3 353.360 1.321 20 5 FDBDHL Cc1c([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C(=O)[O-])cnn1C ZINC000530383357 539958240 /nfs/dbraw/zinc/95/82/40/539958240.db2.gz SMMTVUCEDZTOBT-CYBMUJFWSA-N -2 3 368.371 1.049 20 5 FDBDHL CCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC)C(=O)[O-] ZINC000274872007 181182288 /nfs/dbraw/zinc/18/22/88/181182288.db2.gz ATZIDBHGHMANBM-NSHDSACASA-N -2 3 374.371 1.303 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000274989582 181213202 /nfs/dbraw/zinc/21/32/02/181213202.db2.gz YXFBOYQWZIAABQ-LURJTMIESA-N -2 3 356.278 1.613 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000275051971 181226112 /nfs/dbraw/zinc/22/61/12/181226112.db2.gz SLBZKLMCZHJSAU-LBPRGKRZSA-N -2 3 360.388 1.771 20 5 FDBDHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)o1 ZINC000534068209 540320686 /nfs/dbraw/zinc/32/06/86/540320686.db2.gz BZPBKEPDWMNANP-UHFFFAOYSA-N -2 3 355.328 1.362 20 5 FDBDHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000548225692 542591935 /nfs/dbraw/zinc/59/19/35/542591935.db2.gz GOGSETVXODFEES-SNVBAGLBSA-N -2 3 374.758 1.815 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000121121968 524157142 /nfs/dbraw/zinc/15/71/42/524157142.db2.gz QOGXCTZUHOMODS-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000121121968 524157152 /nfs/dbraw/zinc/15/71/52/524157152.db2.gz QOGXCTZUHOMODS-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000326793217 537631607 /nfs/dbraw/zinc/63/16/07/537631607.db2.gz QQDJJRBKRGGOJR-ZDUSSCGKSA-N -2 3 368.342 1.708 20 5 FDBDHL CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414343565 537783999 /nfs/dbraw/zinc/78/39/99/537783999.db2.gz QUVKSOFQQOTANR-UHFFFAOYSA-N -2 3 360.388 1.368 20 5 FDBDHL CCOC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC000414346383 537786670 /nfs/dbraw/zinc/78/66/70/537786670.db2.gz UVAKYFAGKDBMHM-UHFFFAOYSA-N -2 3 372.399 1.921 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000563081002 546393487 /nfs/dbraw/zinc/39/34/87/546393487.db2.gz MFQFYPQUIXFBHR-ABAIWWIYSA-N -2 3 372.399 1.915 20 5 FDBDHL Cc1c([C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cnn1C ZINC000571808772 549770713 /nfs/dbraw/zinc/77/07/13/549770713.db2.gz LQKVJNDQAAFGCB-QMMMGPOBSA-N -2 3 368.371 1.374 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c([N+](=O)[O-])c1 ZINC000575215198 550444919 /nfs/dbraw/zinc/44/49/19/550444919.db2.gz CXSTZWAZOJZDHU-ZETCQYMHSA-N -2 3 368.314 1.238 20 5 FDBDHL C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000588863230 551694604 /nfs/dbraw/zinc/69/46/04/551694604.db2.gz VRRHLWLYQFUJPP-NXEZZACHSA-N -2 3 374.353 1.794 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1[N+](=O)[O-] ZINC000822266927 599233701 /nfs/dbraw/zinc/23/37/01/599233701.db2.gz KKWAOPBTEGCDNZ-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000738358069 598638669 /nfs/dbraw/zinc/63/86/69/598638669.db2.gz KOHKXBXPCKOMBM-UHFFFAOYSA-N -2 3 365.306 1.110 20 5 FDBDHL O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000738358069 598638671 /nfs/dbraw/zinc/63/86/71/598638671.db2.gz KOHKXBXPCKOMBM-UHFFFAOYSA-N -2 3 365.306 1.110 20 5 FDBDHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000738806200 602566980 /nfs/dbraw/zinc/56/69/80/602566980.db2.gz DESZZMCUDDFXBG-VIFPVBQESA-N -2 3 363.367 1.695 20 5 FDBDHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000823241937 607211003 /nfs/dbraw/zinc/21/10/03/607211003.db2.gz LBVCPCNCOONJGR-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000823241937 607211004 /nfs/dbraw/zinc/21/10/04/607211004.db2.gz LBVCPCNCOONJGR-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433516601 681198335 /nfs/dbraw/zinc/19/83/35/681198335.db2.gz HCJXMUYYTHVYMX-UHFFFAOYSA-N -3 3 368.323 1.808 20 5 FDBDHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000477397913 685849188 /nfs/dbraw/zinc/84/91/88/685849188.db2.gz LZWREQPUTCUFND-UHFFFAOYSA-N -2 3 366.351 1.817 20 5 FDBDHL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CCOCC1 ZINC000518778761 539444102 /nfs/dbraw/zinc/44/41/02/539444102.db2.gz RBTXRFDQDWYESP-VIFPVBQESA-N -2 3 358.372 1.386 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530473418 539979479 /nfs/dbraw/zinc/97/94/79/539979479.db2.gz ULCLPQLXJZAUOQ-NSHDSACASA-N -2 3 358.372 1.525 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000274918542 181194858 /nfs/dbraw/zinc/19/48/58/181194858.db2.gz AILCDNLLKXVEDD-RKDXNWHRSA-N -2 3 360.775 1.864 20 5 FDBDHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000275004456 181216270 /nfs/dbraw/zinc/21/62/70/181216270.db2.gz MGFIZIJXGPFAER-LLVKDONJSA-N -2 3 358.372 1.312 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275279929 181278319 /nfs/dbraw/zinc/27/83/19/181278319.db2.gz RQOJVRZUOIJUQY-SECBINFHSA-N -2 3 360.388 1.771 20 5 FDBDHL CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cs1 ZINC000546254148 542132716 /nfs/dbraw/zinc/13/27/16/542132716.db2.gz OUJMGIKEQFPTAT-UHFFFAOYSA-N -2 3 371.396 1.790 20 5 FDBDHL COc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000547883103 542476162 /nfs/dbraw/zinc/47/61/62/542476162.db2.gz WUTPIHZIMBAIDI-CQSZACIVSA-N -2 3 366.351 1.708 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000548227515 542592737 /nfs/dbraw/zinc/59/27/37/542592737.db2.gz PHPIFKXHZQTELE-JTQLQIEISA-N -2 3 360.388 1.915 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(O)c1 ZINC000548521866 542689182 /nfs/dbraw/zinc/68/91/82/542689182.db2.gz HNCGFXIYIXYEJB-UHFFFAOYSA-N -2 3 366.351 1.983 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000548521866 542689185 /nfs/dbraw/zinc/68/91/85/542689185.db2.gz HNCGFXIYIXYEJB-UHFFFAOYSA-N -3 3 366.351 1.983 20 5 FDBDHL CC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)CC(=O)[O-] ZINC000555374769 543949448 /nfs/dbraw/zinc/94/94/48/543949448.db2.gz KKXTUGJUXSKHON-MRVPVSSYSA-N -2 3 364.351 1.522 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000122022417 524432787 /nfs/dbraw/zinc/43/27/87/524432787.db2.gz JTMRQYQQVOUJDP-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000122022417 524432790 /nfs/dbraw/zinc/43/27/90/524432790.db2.gz JTMRQYQQVOUJDP-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000122919676 524643376 /nfs/dbraw/zinc/64/33/76/524643376.db2.gz MARMKTVDGJEAFG-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000122919676 524643384 /nfs/dbraw/zinc/64/33/84/524643384.db2.gz MARMKTVDGJEAFG-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c1C ZINC000562998957 546348082 /nfs/dbraw/zinc/34/80/82/546348082.db2.gz DQXIGWDVXONAIQ-GFCCVEGCSA-N -2 3 368.371 1.049 20 5 FDBDHL CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000566013670 547566751 /nfs/dbraw/zinc/56/67/51/547566751.db2.gz XSVLANSWIMRTQK-KOLCDFICSA-N -2 3 360.388 1.632 20 5 FDBDHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000566559806 547806849 /nfs/dbraw/zinc/80/68/49/547806849.db2.gz YRQDNTNNPKOOND-CQSZACIVSA-N -2 3 360.388 1.370 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000566851485 547906853 /nfs/dbraw/zinc/90/68/53/547906853.db2.gz YJLGBQXTEMZNTO-HQJQHLMTSA-N -2 3 350.418 1.988 20 5 FDBDHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])OCC1CC1 ZINC000568008095 548359911 /nfs/dbraw/zinc/35/99/11/548359911.db2.gz KAAVHYCHGRDEND-UHFFFAOYSA-N -2 3 372.399 1.777 20 5 FDBDHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000580323070 550966877 /nfs/dbraw/zinc/96/68/77/550966877.db2.gz CLYRNGFKUNOKPM-PKRMOACSSA-N -2 3 372.355 1.064 20 5 FDBDHL C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588863232 551694559 /nfs/dbraw/zinc/69/45/59/551694559.db2.gz VRRHLWLYQFUJPP-UWVGGRQHSA-N -2 3 374.353 1.794 20 5 FDBDHL Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])cc1[N+](=O)[O-] ZINC000594571382 552335021 /nfs/dbraw/zinc/33/50/21/552335021.db2.gz XYXRNOTVVRIFIS-SECBINFHSA-N -2 3 354.743 1.648 20 5 FDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000594671706 552352042 /nfs/dbraw/zinc/35/20/42/552352042.db2.gz XVNRAAUDNUNWAV-DTWKUNHWSA-N -2 3 353.356 1.531 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c[n-]1 ZINC000618906556 555694134 /nfs/dbraw/zinc/69/41/34/555694134.db2.gz MVRMYRYPWZQRIF-UHFFFAOYSA-N -2 3 354.344 1.604 20 5 FDBDHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC000618906556 555694136 /nfs/dbraw/zinc/69/41/36/555694136.db2.gz MVRMYRYPWZQRIF-UHFFFAOYSA-N -2 3 354.344 1.604 20 5 FDBDHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n[n-]1 ZINC000619467991 555782487 /nfs/dbraw/zinc/78/24/87/555782487.db2.gz QXGSLRUVDUTAGI-UHFFFAOYSA-N -2 3 370.343 1.304 20 5 FDBDHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000834078402 605425943 /nfs/dbraw/zinc/42/59/43/605425943.db2.gz PPPNZDBXXKWAEH-QMMMGPOBSA-N -2 3 363.779 1.526 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000826497318 608095260 /nfs/dbraw/zinc/09/52/60/608095260.db2.gz CGGLODOMZSIHPT-UHFFFAOYSA-N -2 3 362.327 1.281 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000826497318 608095261 /nfs/dbraw/zinc/09/52/61/608095261.db2.gz CGGLODOMZSIHPT-UHFFFAOYSA-N -2 3 362.327 1.281 20 5 FDBDHL COc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826205969 609621678 /nfs/dbraw/zinc/62/16/78/609621678.db2.gz WNHFGLRYGUHHFB-UHFFFAOYSA-N -2 3 371.309 1.846 20 5 FDBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000120230220 671686338 /nfs/dbraw/zinc/68/63/38/671686338.db2.gz BFLBUJISWUYSAT-UHFFFAOYSA-N -2 3 352.357 1.637 20 5 FDBDHL O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccc([N+](=O)[O-])[n-]1 ZINC000536211879 540566573 /nfs/dbraw/zinc/56/65/73/540566573.db2.gz BTWGCBFGFJBQFH-UHFFFAOYSA-N -2 3 366.355 1.421 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000547892272 542479093 /nfs/dbraw/zinc/47/90/93/542479093.db2.gz ZJUMTWAZDFKTLR-VIFPVBQESA-N -2 3 374.371 1.161 20 5 FDBDHL C[C@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)NC(=O)[N-]C1=O ZINC000548122120 542562132 /nfs/dbraw/zinc/56/21/32/542562132.db2.gz BKZMGASTKRFNMH-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC(C)(C)C1 ZINC000552000610 543402180 /nfs/dbraw/zinc/40/21/80/543402180.db2.gz HSAUKDYTLVHUQF-OAHLLOKOSA-N -2 3 372.399 1.915 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000558591152 544476939 /nfs/dbraw/zinc/47/69/39/544476939.db2.gz KZMONLYYWUSJES-UHFFFAOYSA-N -2 3 372.355 1.057 20 5 FDBDHL Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC000390031625 537767683 /nfs/dbraw/zinc/76/76/83/537767683.db2.gz YMCKCYYYOUMKQX-UHFFFAOYSA-N -2 3 357.369 1.536 20 5 FDBDHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000392454105 537778825 /nfs/dbraw/zinc/77/88/25/537778825.db2.gz FMZANAJSWQTEGF-UHFFFAOYSA-N -2 3 360.388 1.773 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOC(F)F)c1 ZINC000414329769 537781755 /nfs/dbraw/zinc/78/17/55/537781755.db2.gz BHKAXWPZTHRSQX-UHFFFAOYSA-N -2 3 354.287 1.201 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000566851486 547906589 /nfs/dbraw/zinc/90/65/89/547906589.db2.gz YJLGBQXTEMZNTO-RDDDGLTNSA-N -2 3 350.418 1.988 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1C ZINC000568741231 548660064 /nfs/dbraw/zinc/66/00/64/548660064.db2.gz POPXPKSRIDNFKG-SMDDNHRTSA-N -2 3 372.399 1.370 20 5 FDBDHL Cc1nc(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])c(C)o1 ZINC000573096004 550063264 /nfs/dbraw/zinc/06/32/64/550063264.db2.gz OTWBNVAOLPMWFK-UHFFFAOYSA-N -2 3 369.355 1.419 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000575865653 550484553 /nfs/dbraw/zinc/48/45/53/550484553.db2.gz MIXIPHVIDZZOFB-CQSZACIVSA-N -2 3 360.388 1.771 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000583799706 551403718 /nfs/dbraw/zinc/40/37/18/551403718.db2.gz IWQGLHMPLLMLFC-ISVAXAHUSA-N -2 3 358.372 1.381 20 5 FDBDHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000592449875 551997679 /nfs/dbraw/zinc/99/76/79/551997679.db2.gz XFVOAMKRWSEGBL-QMMMGPOBSA-N -2 3 366.392 1.466 20 5 FDBDHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000594574034 552335811 /nfs/dbraw/zinc/33/58/11/552335811.db2.gz XJZXXPZEQDHDJK-MRVPVSSYSA-N -2 3 374.268 1.705 20 5 FDBDHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000594575319 552336306 /nfs/dbraw/zinc/33/63/06/552336306.db2.gz AYXILQLQLUQDKV-ZYHUDNBSSA-N -2 3 358.372 1.141 20 5 FDBDHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594671705 552351911 /nfs/dbraw/zinc/35/19/11/552351911.db2.gz XVNRAAUDNUNWAV-BDAKNGLRSA-N -2 3 353.356 1.531 20 5 FDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000594671708 552352078 /nfs/dbraw/zinc/35/20/78/552352078.db2.gz XVNRAAUDNUNWAV-RKDXNWHRSA-N -2 3 353.356 1.531 20 5 FDBDHL C[C@]1(c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000436635215 568202390 /nfs/dbraw/zinc/20/23/90/568202390.db2.gz KTVIKUXLBWLLGU-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL CCOC(=O)c1nnc([N-]C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000829895739 602304062 /nfs/dbraw/zinc/30/40/62/602304062.db2.gz WUVPZCCIQZAHMY-UHFFFAOYSA-N -2 3 366.311 1.574 20 5 FDBDHL O=C([O-])NCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000740619998 602564883 /nfs/dbraw/zinc/56/48/83/602564883.db2.gz KWFQOUFCRPAWST-UHFFFAOYSA-N -2 3 361.351 1.593 20 5 FDBDHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821613330 607192822 /nfs/dbraw/zinc/19/28/22/607192822.db2.gz IICIUYMXMLNUSJ-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821613330 607192823 /nfs/dbraw/zinc/19/28/23/607192823.db2.gz IICIUYMXMLNUSJ-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000826255991 608871567 /nfs/dbraw/zinc/87/15/67/608871567.db2.gz QRIBKRDAKMNDQJ-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000825972009 609144799 /nfs/dbraw/zinc/14/47/99/609144799.db2.gz RDYOSODBFCTEMJ-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826470149 609165517 /nfs/dbraw/zinc/16/55/17/609165517.db2.gz FDOHQUJTOJGDME-UHFFFAOYSA-N -2 3 352.310 1.683 20 5 FDBDHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000275010295 674601179 /nfs/dbraw/zinc/60/11/79/674601179.db2.gz NEXWZVRLOBQITR-SECBINFHSA-N -2 3 350.780 1.883 20 5 FDBDHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436860600 681738962 /nfs/dbraw/zinc/73/89/62/681738962.db2.gz PWTNEYWYJJMJLW-UHFFFAOYSA-N -2 3 351.340 1.924 20 5 FDBDHL O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)N=c1nc2n([n-]1)CCCC2 ZINC000459611753 838855613 /nfs/dbraw/zinc/85/56/13/838855613.db2.gz PMHVAHPLTDTPEA-UHFFFAOYSA-N -2 3 368.357 1.401 20 5 FDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)c1 ZINC000916102905 881363621 /nfs/dbraw/zinc/36/36/21/881363621.db2.gz YFSDKEQDMDDZQC-UHFFFAOYSA-N -2 3 366.252 1.852 20 5 FDBDHL Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1N ZINC001174505124 962886258 /nfs/dbraw/zinc/88/62/58/962886258.db2.gz PZGUQCQQMBTVGC-UHFFFAOYSA-N -2 3 352.328 1.258 20 5 FDBDHL C[C@]([N-]C(=O)C(F)(F)C1(O)CCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592989782 980176024 /nfs/dbraw/zinc/17/60/24/980176024.db2.gz KVAJYYJVYVNNJG-CYBMUJFWSA-N -2 3 358.297 1.561 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826499741 986717066 /nfs/dbraw/zinc/71/70/66/986717066.db2.gz VLBTYUOCBKCVBI-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-] ZINC000275138606 181248084 /nfs/dbraw/zinc/24/80/84/181248084.db2.gz WMHVAJJZYITBKS-VIFPVBQESA-N -2 3 364.401 1.088 20 5 FDBDHL CC[C@H](CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000297218187 184246749 /nfs/dbraw/zinc/24/67/49/184246749.db2.gz NVQVPZYTOHFKEE-SECBINFHSA-N -2 3 374.371 1.145 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000548194032 542579660 /nfs/dbraw/zinc/57/96/60/542579660.db2.gz KLKRCMDIJZKSKR-UHFFFAOYSA-N -2 3 352.324 1.941 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000548194032 542579665 /nfs/dbraw/zinc/57/96/65/542579665.db2.gz KLKRCMDIJZKSKR-UHFFFAOYSA-N -3 3 352.324 1.941 20 5 FDBDHL Cc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000548544894 542697633 /nfs/dbraw/zinc/69/76/33/542697633.db2.gz KMGDKPDQRULRDC-UHFFFAOYSA-N -2 3 351.340 1.475 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000558685858 544504480 /nfs/dbraw/zinc/50/44/80/544504480.db2.gz KALGLONEPVPVCN-CMPLNLGQSA-N -2 3 356.400 1.989 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000560422254 545004252 /nfs/dbraw/zinc/00/42/52/545004252.db2.gz SFGQQBSIOVMNIP-QMMMGPOBSA-N -2 3 370.305 1.835 20 5 FDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000368516430 260195187 /nfs/dbraw/zinc/19/51/87/260195187.db2.gz CFWHGJOJGONUOV-LBPRGKRZSA-N -2 3 364.763 1.079 20 5 FDBDHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C(=O)[O-] ZINC000270499933 537339736 /nfs/dbraw/zinc/33/97/36/537339736.db2.gz NMELWQXWDPOQFK-MRVPVSSYSA-N -2 3 367.177 1.499 20 5 FDBDHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000427250382 538185282 /nfs/dbraw/zinc/18/52/82/538185282.db2.gz OPKVDYXMBPBESV-UHFFFAOYSA-N -2 3 354.340 1.981 20 5 FDBDHL CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000566317424 547709667 /nfs/dbraw/zinc/70/96/67/547709667.db2.gz OBTKPBQJZOONSA-WQAKAFBOSA-N -2 3 370.383 1.385 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000574456410 550316735 /nfs/dbraw/zinc/31/67/35/550316735.db2.gz UGVPVNFIPBKWOL-NEPJUHHUSA-N -2 3 372.399 1.370 20 5 FDBDHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000580323071 550966752 /nfs/dbraw/zinc/96/67/52/550966752.db2.gz CLYRNGFKUNOKPM-XADBCAIWSA-N -2 3 372.355 1.064 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000582832860 551271830 /nfs/dbraw/zinc/27/18/30/551271830.db2.gz PPIWWYZZYVROAY-UHFFFAOYSA-N -2 3 354.262 1.509 20 5 FDBDHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000584718028 551535900 /nfs/dbraw/zinc/53/59/00/551535900.db2.gz ZAXJWFQIHJVUPJ-UHFFFAOYSA-N -2 3 368.371 1.317 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC000590601850 551797412 /nfs/dbraw/zinc/79/74/12/551797412.db2.gz PKVSZBAGIXAIHQ-GFCCVEGCSA-N -2 3 365.367 1.272 20 5 FDBDHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])CCC1 ZINC000593274616 552080577 /nfs/dbraw/zinc/08/05/77/552080577.db2.gz AKFZGKFTVWGIGO-SNVBAGLBSA-N -2 3 358.372 1.286 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C1CCC1 ZINC000596026769 552646238 /nfs/dbraw/zinc/64/62/38/552646238.db2.gz MMHZPRARZWIGJN-LLVKDONJSA-N -2 3 358.372 1.383 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1C ZINC000596028435 552646407 /nfs/dbraw/zinc/64/64/07/552646407.db2.gz ZKZXAURLXHQHLD-GFCCVEGCSA-N -2 3 356.400 1.991 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000517930912 568255718 /nfs/dbraw/zinc/25/57/18/568255718.db2.gz RPJNAQGJHIEYBD-AWEZNQCLSA-N -2 3 360.388 1.771 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000738361178 599040968 /nfs/dbraw/zinc/04/09/68/599040968.db2.gz VZIZHGCQKJBRRG-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000738361178 599040970 /nfs/dbraw/zinc/04/09/70/599040970.db2.gz VZIZHGCQKJBRRG-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1[N+](=O)[O-] ZINC000826243209 608101412 /nfs/dbraw/zinc/10/14/12/608101412.db2.gz YTTSSEOCVJFZPY-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1CO ZINC000326882837 676586366 /nfs/dbraw/zinc/58/63/66/676586366.db2.gz COCFBOGRGZPZEM-UHFFFAOYSA-N -2 3 368.367 1.992 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000486881376 686941007 /nfs/dbraw/zinc/94/10/07/686941007.db2.gz ACZUJZPVDRYIPE-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000486881376 686941010 /nfs/dbraw/zinc/94/10/10/686941010.db2.gz ACZUJZPVDRYIPE-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c[n-]1 ZINC000789739627 933174165 /nfs/dbraw/zinc/17/41/65/933174165.db2.gz LXRUSTOXBRUFAA-UHFFFAOYSA-N -2 3 370.343 1.304 20 5 FDBDHL Cc1nc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000776869126 970836745 /nfs/dbraw/zinc/83/67/45/970836745.db2.gz JBWDBQTVVOOSOJ-UHFFFAOYSA-N -2 3 362.367 1.756 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592723608 979232213 /nfs/dbraw/zinc/23/22/13/979232213.db2.gz ZQLHFCYTTCVMRA-SECBINFHSA-N -2 3 354.340 1.968 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-] ZINC000275125601 181245707 /nfs/dbraw/zinc/24/57/07/181245707.db2.gz UQFXXZSKTHPVJI-VIFPVBQESA-N -2 3 364.401 1.088 20 5 FDBDHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OCCO ZINC000541125158 541154752 /nfs/dbraw/zinc/15/47/52/541154752.db2.gz RJCKKXFVIWPLFF-UHFFFAOYSA-N -2 3 368.367 1.781 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000277285026 181751368 /nfs/dbraw/zinc/75/13/68/181751368.db2.gz QEOOFBOXZVWXHU-SFYZADRCSA-N -2 3 360.319 1.050 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c1C ZINC000548588569 542712112 /nfs/dbraw/zinc/71/21/12/542712112.db2.gz QTBYLPPDYFILHR-LBPRGKRZSA-N -2 3 368.367 1.779 20 5 FDBDHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000556772990 544198634 /nfs/dbraw/zinc/19/86/34/544198634.db2.gz ROCOWMSEJVRDHD-ZETCQYMHSA-N -2 3 356.278 1.526 20 5 FDBDHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000414329901 537781244 /nfs/dbraw/zinc/78/12/44/537781244.db2.gz BVFYYTOCNPWHIX-UHFFFAOYSA-N -2 3 360.388 1.777 20 5 FDBDHL O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000437006377 538414613 /nfs/dbraw/zinc/41/46/13/538414613.db2.gz XMKIIBYSGDYYBT-UHFFFAOYSA-N -2 3 371.396 1.070 20 5 FDBDHL COc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000561972606 545996788 /nfs/dbraw/zinc/99/67/88/545996788.db2.gz GGCWPCHZIISVCS-UHFFFAOYSA-N -2 3 366.351 1.780 20 5 FDBDHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000564926538 547108675 /nfs/dbraw/zinc/10/86/75/547108675.db2.gz KSSWGRPDZKLFCI-AWEZNQCLSA-N -2 3 360.388 1.370 20 5 FDBDHL CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])OC ZINC000565061689 547182489 /nfs/dbraw/zinc/18/24/89/547182489.db2.gz WZWLFJSPFOKZAK-SKDRFNHKSA-N -2 3 360.388 1.632 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)cc1C ZINC000569358107 548889597 /nfs/dbraw/zinc/88/95/97/548889597.db2.gz HENGOSOARNMDGT-UHFFFAOYSA-N -2 3 372.399 1.514 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCOC(C)(C)C)C(=O)[O-] ZINC000572998859 550041995 /nfs/dbraw/zinc/04/19/95/550041995.db2.gz XDDNITYZGUPTMR-LLVKDONJSA-N -2 3 374.415 1.840 20 5 FDBDHL Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000592140762 551948464 /nfs/dbraw/zinc/94/84/64/551948464.db2.gz VHSZPLOBKQCLAK-MRVPVSSYSA-N -2 3 369.355 1.937 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CCC1 ZINC000594673652 552353022 /nfs/dbraw/zinc/35/30/22/552353022.db2.gz RREGFPIBQKCLRW-ZDUSSCGKSA-N -2 3 365.367 1.675 20 5 FDBDHL C[C@@](CCF)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(=O)[O-] ZINC000594720968 552363418 /nfs/dbraw/zinc/36/34/18/552363418.db2.gz RKNOUPBNAKUKLJ-AWEZNQCLSA-N -2 3 371.346 1.624 20 5 FDBDHL COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1[N-]S(C)(=O)=O ZINC000604084854 553840794 /nfs/dbraw/zinc/84/07/94/553840794.db2.gz DZKYAYWDVAUSFW-UHFFFAOYSA-N -2 3 354.344 1.555 20 5 FDBDHL O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436641015 568157880 /nfs/dbraw/zinc/15/78/80/568157880.db2.gz SNFSWZCEQTWZOM-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737400607 599039943 /nfs/dbraw/zinc/03/99/43/599039943.db2.gz WZUWVNOOXYULDJ-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737400607 599039945 /nfs/dbraw/zinc/03/99/45/599039945.db2.gz WZUWVNOOXYULDJ-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000823648403 606211113 /nfs/dbraw/zinc/21/11/13/606211113.db2.gz WEUFKXCNMUNGIV-UHFFFAOYSA-N -2 3 362.327 1.281 20 5 FDBDHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000327984377 676596951 /nfs/dbraw/zinc/59/69/51/676596951.db2.gz QQDJJRBKRGGOJR-CYBMUJFWSA-N -2 3 368.342 1.708 20 5 FDBDHL Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000826299521 981927872 /nfs/dbraw/zinc/92/78/72/981927872.db2.gz JFURHEUYHIHQPN-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000800024515 982711761 /nfs/dbraw/zinc/71/17/61/982711761.db2.gz QAKHNMBKYJIKQT-UHFFFAOYSA-N -2 3 365.161 1.253 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)cc1C ZINC000274931760 181198256 /nfs/dbraw/zinc/19/82/56/181198256.db2.gz DEVISPMDHWMVKY-UHFFFAOYSA-N -2 3 372.399 1.371 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000275036047 181222093 /nfs/dbraw/zinc/22/20/93/181222093.db2.gz QOJZIYYUYASCKG-LBPRGKRZSA-N -2 3 360.388 1.771 20 5 FDBDHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000534067488 540320845 /nfs/dbraw/zinc/32/08/45/540320845.db2.gz BQHINFZUZDYPNL-MRVPVSSYSA-N -2 3 371.396 1.667 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000276766565 181652797 /nfs/dbraw/zinc/65/27/97/181652797.db2.gz BBHPVCRDUVLSCN-MRVPVSSYSA-N -2 3 364.351 1.522 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000287103367 183212581 /nfs/dbraw/zinc/21/25/81/183212581.db2.gz AKJWITLGJNCXMT-SNVBAGLBSA-N -2 3 362.335 1.274 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000547931893 542491771 /nfs/dbraw/zinc/49/17/71/542491771.db2.gz NFJGQSROLCEHIO-LLVKDONJSA-N -2 3 374.371 1.017 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000548537951 542694672 /nfs/dbraw/zinc/69/46/72/542694672.db2.gz BCLODTDBCATZQI-RDDDGLTNSA-N -2 3 364.763 1.016 20 5 FDBDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1[N+](=O)[O-] ZINC000551908836 543373863 /nfs/dbraw/zinc/37/38/63/543373863.db2.gz PRKGVQDMAVZIIA-UHFFFAOYSA-N -3 3 356.287 1.939 20 5 FDBDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2F)ccc1[N+](=O)[O-] ZINC000551908836 543373864 /nfs/dbraw/zinc/37/38/64/543373864.db2.gz PRKGVQDMAVZIIA-UHFFFAOYSA-N -2 3 356.287 1.939 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000554665394 543848072 /nfs/dbraw/zinc/84/80/72/543848072.db2.gz FXDLSRRGLLPEBW-SDBXPKJASA-N -2 3 358.372 1.381 20 5 FDBDHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000291838274 537683434 /nfs/dbraw/zinc/68/34/34/537683434.db2.gz 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360.388 1.771 20 5 FDBDHL CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000583325363 551335542 /nfs/dbraw/zinc/33/55/42/551335542.db2.gz JKEKIPXDADXUIY-SNVBAGLBSA-N -2 3 358.372 1.529 20 5 FDBDHL Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592140584 551948492 /nfs/dbraw/zinc/94/84/92/551948492.db2.gz DHULDLGYUCQMLX-QMMMGPOBSA-N -2 3 369.355 1.937 20 5 FDBDHL COC1(C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])CCC1 ZINC000593274613 552080848 /nfs/dbraw/zinc/08/08/48/552080848.db2.gz AKFZGKFTVWGIGO-JTQLQIEISA-N -2 3 358.372 1.286 20 5 FDBDHL CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])O1 ZINC000593311071 552087121 /nfs/dbraw/zinc/08/71/21/552087121.db2.gz XHSBACCKGWRPOX-SECBINFHSA-N -2 3 358.372 1.529 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C2CC2)c1C ZINC000594719914 552363265 /nfs/dbraw/zinc/36/32/65/552363265.db2.gz LCIMAAVVNIXIAD-GFCCVEGCSA-N -2 3 356.400 1.991 20 5 FDBDHL 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COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000547892271 542479126 /nfs/dbraw/zinc/47/91/26/542479126.db2.gz ZJUMTWAZDFKTLR-SECBINFHSA-N -2 3 374.371 1.161 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548541766 542696557 /nfs/dbraw/zinc/69/65/57/542696557.db2.gz JGKTWPXAEDVAQY-LBPRGKRZSA-N -2 3 372.399 1.915 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1C ZINC000548551652 542700336 /nfs/dbraw/zinc/70/03/36/542700336.db2.gz KDFUDAXHPNLQHD-UHFFFAOYSA-N -2 3 371.396 1.845 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000558685860 544504575 /nfs/dbraw/zinc/50/45/75/544504575.db2.gz KALGLONEPVPVCN-JQWIXIFHSA-N -2 3 356.400 1.989 20 5 FDBDHL O=C(c1ccccc1[O-])N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000091923235 524810898 /nfs/dbraw/zinc/81/08/98/524810898.db2.gz FDSXJBWVESOXPZ-UHFFFAOYSA-N -2 3 357.366 1.964 20 5 FDBDHL 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C[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])Cn1cccn1 ZINC000573615317 550177304 /nfs/dbraw/zinc/17/73/04/550177304.db2.gz WHXYDYFDUHKONA-JTQLQIEISA-N -2 3 368.371 1.104 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CCOC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000577846473 550701459 /nfs/dbraw/zinc/70/14/59/550701459.db2.gz FQEUZUGTVALDIS-LLVKDONJSA-N -2 3 374.415 1.840 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c[n-]1 ZINC000585730945 551589429 /nfs/dbraw/zinc/58/94/29/551589429.db2.gz RMWLHUDCGGSAKC-UHFFFAOYSA-N -2 3 368.371 1.912 20 5 FDBDHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[n-]1 ZINC000585730945 551589430 /nfs/dbraw/zinc/58/94/30/551589430.db2.gz RMWLHUDCGGSAKC-UHFFFAOYSA-N -2 3 368.371 1.912 20 5 FDBDHL Cc1c([C@@H](C)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])cnn1C ZINC000593312702 552087408 /nfs/dbraw/zinc/08/74/08/552087408.db2.gz FXWXKCGFDHQRDE-MRVPVSSYSA-N -2 3 368.371 1.374 20 5 FDBDHL 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ILQYXXSNZONOIR-UHFFFAOYSA-N -2 3 374.371 1.145 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000275270753 181275942 /nfs/dbraw/zinc/27/59/42/181275942.db2.gz NEIQJMWXVYUMDI-ZETCQYMHSA-N -2 3 372.277 1.287 20 5 FDBDHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000543786689 541661274 /nfs/dbraw/zinc/66/12/74/541661274.db2.gz IRZZPPNHDUZTRN-UHFFFAOYSA-N -2 3 351.340 1.209 20 5 FDBDHL O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000103059340 172358962 /nfs/dbraw/zinc/35/89/62/172358962.db2.gz QXGLZIVJPAOQHB-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000103059340 172358964 /nfs/dbraw/zinc/35/89/64/172358964.db2.gz QXGLZIVJPAOQHB-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2o1 ZINC000029834786 519324868 /nfs/dbraw/zinc/32/48/68/519324868.db2.gz IJSQZCXBUBSVFC-UHFFFAOYSA-N -2 3 351.296 1.536 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000325554354 537626758 /nfs/dbraw/zinc/62/67/58/537626758.db2.gz ISYFGVATBCWOHJ-GXTWGEPZSA-N -2 3 358.372 1.525 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1C ZINC000562998958 546348290 /nfs/dbraw/zinc/34/82/90/546348290.db2.gz DQXIGWDVXONAIQ-LBPRGKRZSA-N -2 3 368.371 1.049 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]CCCOC(F)F)c1[N+](=O)[O-] ZINC000563230081 546455887 /nfs/dbraw/zinc/45/58/87/546455887.db2.gz KXVQURSDLDHMTA-UHFFFAOYSA-N -2 3 354.287 1.201 20 5 FDBDHL COCC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCCC1 ZINC000565060333 547181846 /nfs/dbraw/zinc/18/18/46/547181846.db2.gz AISPABSNMFPGGD-UHFFFAOYSA-N -2 3 372.399 1.778 20 5 FDBDHL CO[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000570726459 549390445 /nfs/dbraw/zinc/39/04/45/549390445.db2.gz AZKFDLSFXPLWED-AWEZNQCLSA-N -2 3 358.372 1.386 20 5 FDBDHL CCC[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000580611066 550999951 /nfs/dbraw/zinc/99/99/51/550999951.db2.gz DNELYPBGIOEDQU-SECBINFHSA-N -2 3 374.371 1.145 20 5 FDBDHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000581345475 551078153 /nfs/dbraw/zinc/07/81/53/551078153.db2.gz DZZYNSULTQSWIV-CYBMUJFWSA-N -2 3 364.379 1.817 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c[n-]1 ZINC000585730402 551588838 /nfs/dbraw/zinc/58/88/38/551588838.db2.gz PZWJPGMSZJFFDU-UHFFFAOYSA-N -2 3 358.307 1.435 20 5 FDBDHL C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000588861213 551694735 /nfs/dbraw/zinc/69/47/35/551694735.db2.gz JZNUJPHJYZWPCW-NXEZZACHSA-N -2 3 374.353 1.794 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCN(CC3CC3)C2)c1[N+](=O)[O-] ZINC000593307505 552086918 /nfs/dbraw/zinc/08/69/18/552086918.db2.gz NTHKBPDSYDMOQG-LLVKDONJSA-N -2 3 369.399 1.056 20 5 FDBDHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594671556 552352099 /nfs/dbraw/zinc/35/20/99/552352099.db2.gz VXXVRQVAPXIQLC-ZJUUUORDSA-N -2 3 365.367 1.675 20 5 FDBDHL O=c1[n-]ccc(Sc2n[n-]c(=NC[C@@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC000596068678 552652282 /nfs/dbraw/zinc/65/22/82/552652282.db2.gz XZNBBMDZLPNSSJ-ZETCQYMHSA-N -2 3 355.401 2.289 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])cc1C ZINC000596090724 552654304 /nfs/dbraw/zinc/65/43/04/552654304.db2.gz UHSUZQWWBPYBFU-DRABBMOASA-N -2 3 368.411 1.989 20 5 FDBDHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000739899627 600181181 /nfs/dbraw/zinc/18/11/81/600181181.db2.gz USFTWGRBBSDIFR-UHFFFAOYSA-N -2 3 374.338 1.716 20 5 FDBDHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000740521672 602593323 /nfs/dbraw/zinc/59/33/23/602593323.db2.gz UDMMAQJOFYSIPW-SECBINFHSA-N -2 3 363.779 1.669 20 5 FDBDHL COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1-c1nnn[n-]1 ZINC000826201352 607635664 /nfs/dbraw/zinc/63/56/64/607635664.db2.gz LYDCUINZPLLMMF-UHFFFAOYSA-N -2 3 370.325 1.419 20 5 FDBDHL COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1-c1nn[n-]n1 ZINC000826201352 607635665 /nfs/dbraw/zinc/63/56/65/607635665.db2.gz LYDCUINZPLLMMF-UHFFFAOYSA-N -2 3 370.325 1.419 20 5 FDBDHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826271237 608757956 /nfs/dbraw/zinc/75/79/56/608757956.db2.gz JEMLKOXDDLFWSR-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824521885 609268132 /nfs/dbraw/zinc/26/81/32/609268132.db2.gz OEAQBRFOPCWTKC-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824521885 609268133 /nfs/dbraw/zinc/26/81/33/609268133.db2.gz OEAQBRFOPCWTKC-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000826451623 609296245 /nfs/dbraw/zinc/29/62/45/609296245.db2.gz OUDIQYSLJSLXCL-UHFFFAOYSA-N -2 3 361.705 1.781 20 5 FDBDHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[n-]n2)cn1 ZINC000826451623 609296248 /nfs/dbraw/zinc/29/62/48/609296248.db2.gz OUDIQYSLJSLXCL-UHFFFAOYSA-N -2 3 361.705 1.781 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000324574963 676570583 /nfs/dbraw/zinc/57/05/83/676570583.db2.gz DQYDEKBQCJCZHX-CYBMUJFWSA-N -2 3 354.315 1.838 20 5 FDBDHL O=C([O-])Cn1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC001595160157 952190404 /nfs/dbraw/zinc/19/04/04/952190404.db2.gz DUYAXIOCUWIBGF-UHFFFAOYSA-N -2 3 359.220 1.542 20 5 FDBDHL C[C@@](CCF)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001592507199 978324088 /nfs/dbraw/zinc/32/40/88/978324088.db2.gz IMKPZZWNCBEQFX-NSHDSACASA-N -2 3 354.743 1.729 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592723609 979232437 /nfs/dbraw/zinc/23/24/37/979232437.db2.gz ZQLHFCYTTCVMRA-VIFPVBQESA-N -2 3 354.340 1.968 20 5 FDBDHL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000370728118 989953407 /nfs/dbraw/zinc/95/34/07/989953407.db2.gz JNTFEIQZSMABEI-UHFFFAOYSA-N -2 3 354.282 1.725 20 5 FDBDHL O=C([O-])c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc([N+](=O)[O-])c1 ZINC000370728118 989953409 /nfs/dbraw/zinc/95/34/09/989953409.db2.gz JNTFEIQZSMABEI-UHFFFAOYSA-N -2 3 354.282 1.725 20 5 FDBDHL C[C@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001594424577 999588076 /nfs/dbraw/zinc/58/80/76/999588076.db2.gz WYYTYGCTMNELAC-JQWIXIFHSA-N -2 3 352.343 1.601 20 5 FDBDHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000274903530 181191327 /nfs/dbraw/zinc/19/13/27/181191327.db2.gz IPPRLCZREPNGMQ-VIFPVBQESA-N -2 3 367.177 1.499 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000274945451 181201930 /nfs/dbraw/zinc/20/19/30/181201930.db2.gz FRNPFRYPULDFHL-GFCCVEGCSA-N -2 3 360.388 1.771 20 5 FDBDHL CC[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-] ZINC000547913803 542485718 /nfs/dbraw/zinc/48/57/18/542485718.db2.gz BUYBPRHAIQBCRV-SECBINFHSA-N -2 3 374.371 1.145 20 5 FDBDHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000548224224 542591587 /nfs/dbraw/zinc/59/15/87/542591587.db2.gz UXBFDEZFXNEGIG-SECBINFHSA-N -2 3 374.371 1.288 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548552995 542700898 /nfs/dbraw/zinc/70/08/98/542700898.db2.gz JMLUQJZCBBRUAU-NSHDSACASA-N -2 3 370.339 1.171 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326798741 537631125 /nfs/dbraw/zinc/63/11/25/537631125.db2.gz BRNOKTFERGYQFU-DZGCQCFKSA-N -2 3 372.399 1.915 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000285297821 537677468 /nfs/dbraw/zinc/67/74/68/537677468.db2.gz XXGNUQNFSBNNRY-JTQLQIEISA-N -2 3 360.388 1.450 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000392033852 537774160 /nfs/dbraw/zinc/77/41/60/537774160.db2.gz IPKMQGBSCLMWHG-UHFFFAOYSA-N -2 3 354.315 1.911 20 5 FDBDHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(F)F ZINC000414328717 537781783 /nfs/dbraw/zinc/78/17/83/537781783.db2.gz PWFQYOIHBSBKOC-QMMMGPOBSA-N -2 3 352.315 1.923 20 5 FDBDHL C[C@]1(c2cccc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])c2)NC(=O)[N-]C1=O ZINC000561310716 545797651 /nfs/dbraw/zinc/79/76/51/545797651.db2.gz MICBTDJBMSAXBN-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000564926541 547108922 /nfs/dbraw/zinc/10/89/22/547108922.db2.gz KSSWGRPDZKLFCI-CQSZACIVSA-N -2 3 360.388 1.370 20 5 FDBDHL C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566317118 547710077 /nfs/dbraw/zinc/71/00/77/547710077.db2.gz WOZLSSPUZQELMG-VHSXEESVSA-N -2 3 358.372 1.244 20 5 FDBDHL C[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567593406 548174423 /nfs/dbraw/zinc/17/44/23/548174423.db2.gz ZODJZKMUCSWFQA-ZJUUUORDSA-N -2 3 358.372 1.529 20 5 FDBDHL COCC1(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCC1 ZINC000568097016 548397066 /nfs/dbraw/zinc/39/70/66/548397066.db2.gz RGOHSDHCRKRXRZ-UHFFFAOYSA-N -2 3 372.399 1.778 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@H]23)c1[N+](=O)[O-] ZINC000569851581 549071349 /nfs/dbraw/zinc/07/13/49/549071349.db2.gz KBHZEYKKILOQAI-FBIMIBRVSA-N -2 3 356.356 1.139 20 5 FDBDHL CO[C@](C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000570726460 549390159 /nfs/dbraw/zinc/39/01/59/549390159.db2.gz AZKFDLSFXPLWED-CQSZACIVSA-N -2 3 358.372 1.386 20 5 FDBDHL CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000573730115 550201704 /nfs/dbraw/zinc/20/17/04/550201704.db2.gz WLAYSICZURZESX-NXEZZACHSA-N -2 3 358.372 1.529 20 5 FDBDHL CC[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000583385222 551343683 /nfs/dbraw/zinc/34/36/83/551343683.db2.gz XIYBCEKZHHEGOO-MNOVXSKESA-N -2 3 358.372 1.529 20 5 FDBDHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000588862041 551694491 /nfs/dbraw/zinc/69/44/91/551694491.db2.gz JUURCTZRIMOYCM-ZJUUUORDSA-N -2 3 374.353 1.794 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1[N+](=O)[O-] ZINC000589063175 551707443 /nfs/dbraw/zinc/70/74/43/551707443.db2.gz MVIOWVMDSJDMBX-SECBINFHSA-N -2 3 366.342 1.846 20 5 FDBDHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594671718 552352129 /nfs/dbraw/zinc/35/21/29/552352129.db2.gz YBPMQTDVSGMFBP-UHFFFAOYSA-N -2 3 353.356 1.675 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c[n-]1 ZINC000618906560 555694094 /nfs/dbraw/zinc/69/40/94/555694094.db2.gz NBWKWEKNKWZJEA-UHFFFAOYSA-N -2 3 354.344 1.437 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000619470651 555782259 /nfs/dbraw/zinc/78/22/59/555782259.db2.gz ZNFZEZAZOCJGCH-NSHDSACASA-N -2 3 360.388 1.771 20 5 FDBDHL Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822130175 607255957 /nfs/dbraw/zinc/25/59/57/607255957.db2.gz QDFPITPOWCDIHR-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000270419322 597346797 /nfs/dbraw/zinc/34/67/97/597346797.db2.gz DVHWAANJVAJLJR-MRVPVSSYSA-N -2 3 356.278 1.755 20 5 FDBDHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n[nH]1 ZINC000739899822 600181977 /nfs/dbraw/zinc/18/19/77/600181977.db2.gz UWCPUGUALDVECN-UHFFFAOYSA-N -2 3 374.338 1.716 20 5 FDBDHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739926551 605628616 /nfs/dbraw/zinc/62/86/16/605628616.db2.gz KGGNLNJOGAMNID-QMMMGPOBSA-N -2 3 363.779 1.669 20 5 FDBDHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000823249829 607234727 /nfs/dbraw/zinc/23/47/27/607234727.db2.gz LMHKTFVZKCXLNU-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000324189515 676568098 /nfs/dbraw/zinc/56/80/98/676568098.db2.gz JNRZVLRDKJSOMW-UHFFFAOYSA-N -2 3 352.324 1.941 20 5 FDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000508254647 688719989 /nfs/dbraw/zinc/71/99/89/688719989.db2.gz MKVGVLZQMJAZHO-UHFFFAOYSA-N -2 3 363.351 1.653 20 5 FDBDHL O=C([O-])C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001611501644 971084587 /nfs/dbraw/zinc/08/45/87/971084587.db2.gz HTAWOYWFEJCPML-LLVKDONJSA-N -2 3 351.340 1.736 20 5 FDBDHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC001573731836 948596873 /nfs/dbraw/zinc/59/68/73/948596873.db2.gz IMFNSNGFHAMEOX-JTQLQIEISA-N -2 3 354.326 1.989 20 5 FDBDHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001573731836 948596880 /nfs/dbraw/zinc/59/68/80/948596880.db2.gz IMFNSNGFHAMEOX-JTQLQIEISA-N -2 3 354.326 1.989 20 5 FDBDHL CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776445651 977998771 /nfs/dbraw/zinc/99/87/71/977998771.db2.gz ZGMVPYPYKPIXJN-QMMMGPOBSA-N -2 3 367.177 1.499 20 5 FDBDHL CCCCOCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000521255048 539515454 /nfs/dbraw/zinc/51/54/54/539515454.db2.gz VSMAMYWUXKOEGA-UHFFFAOYSA-N -2 3 360.388 1.778 20 5 FDBDHL COCC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC000275054946 181226546 /nfs/dbraw/zinc/22/65/46/181226546.db2.gz IUODVWUXCMUEIE-QMMMGPOBSA-N -2 3 366.779 1.325 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1C ZINC000275185473 181257091 /nfs/dbraw/zinc/25/70/91/181257091.db2.gz DZKCHJOFYWXXMT-QMMMGPOBSA-N -2 3 352.315 1.598 20 5 FDBDHL COc1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275269265 181275138 /nfs/dbraw/zinc/27/51/38/181275138.db2.gz NBJMDSCYZDDYAT-ZETCQYMHSA-N -2 3 372.277 1.287 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000547869484 542469180 /nfs/dbraw/zinc/46/91/80/542469180.db2.gz BMAZQOSANLUTPQ-ZDUSSCGKSA-N -2 3 372.305 1.977 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000548546163 542698437 /nfs/dbraw/zinc/69/84/37/542698437.db2.gz YFAAFMTYPCELBQ-SECBINFHSA-N -2 3 374.371 1.303 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000275202902 537541975 /nfs/dbraw/zinc/54/19/75/537541975.db2.gz OBLUJBLIQCHWGT-VIFPVBQESA-N -2 3 360.388 1.771 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)s1 ZINC000486758186 538559995 /nfs/dbraw/zinc/55/99/95/538559995.db2.gz KFLFWFJIGSRHBJ-UHFFFAOYSA-N -2 3 352.357 1.637 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC000486758186 538560001 /nfs/dbraw/zinc/56/00/01/538560001.db2.gz KFLFWFJIGSRHBJ-UHFFFAOYSA-N -2 3 352.357 1.637 20 5 FDBDHL CCCc1nc(=NCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s[n-]1 ZINC000461975610 538578766 /nfs/dbraw/zinc/57/87/66/538578766.db2.gz ZBANJAYRWQXWDQ-UHFFFAOYSA-N -2 3 371.444 1.211 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c1[N+](=O)[O-] ZINC000564780954 547034388 /nfs/dbraw/zinc/03/43/88/547034388.db2.gz JJCXTJBSMJGQDW-GFCCVEGCSA-N -2 3 368.367 1.779 20 5 FDBDHL C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566317117 547709550 /nfs/dbraw/zinc/70/95/50/547709550.db2.gz WOZLSSPUZQELMG-UWVGGRQHSA-N -2 3 358.372 1.244 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000568007156 548359384 /nfs/dbraw/zinc/35/93/84/548359384.db2.gz ACVWYAREJKMQNU-SECBINFHSA-N -2 3 360.413 1.715 20 5 FDBDHL COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574523808 550328632 /nfs/dbraw/zinc/32/86/32/550328632.db2.gz WZNSSPUCQFMYEC-JTQLQIEISA-N -2 3 374.371 1.159 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000580268440 550960588 /nfs/dbraw/zinc/96/05/88/550960588.db2.gz OJFPFLSESQOYGL-SECBINFHSA-N -2 3 360.388 1.771 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000581203395 551063560 /nfs/dbraw/zinc/06/35/60/551063560.db2.gz UWYHUXUYMQVELD-ISVAXAHUSA-N -2 3 358.372 1.381 20 5 FDBDHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000596039770 552648219 /nfs/dbraw/zinc/64/82/19/552648219.db2.gz QJGBKOQFJFYKEZ-MRVPVSSYSA-N -2 3 370.305 1.916 20 5 FDBDHL C[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)NC(=O)[N-]C1=O ZINC000603610406 553806126 /nfs/dbraw/zinc/80/61/26/553806126.db2.gz IRRWUDGYZSJTKW-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000614337592 555039719 /nfs/dbraw/zinc/03/97/19/555039719.db2.gz VEEQISGKCKBPGR-ZDUSSCGKSA-N -2 3 372.305 1.977 20 5 FDBDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000738277380 599905902 /nfs/dbraw/zinc/90/59/02/599905902.db2.gz VDTRNNSKLLDLAI-UHFFFAOYSA-N -2 3 351.340 1.984 20 5 FDBDHL O=C([O-])CCc1nnc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC000739781178 600205554 /nfs/dbraw/zinc/20/55/54/600205554.db2.gz JWOZCNYPKVLMIH-UHFFFAOYSA-N -2 3 362.327 1.592 20 5 FDBDHL O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826418765 608166855 /nfs/dbraw/zinc/16/68/55/608166855.db2.gz VNDBPKZOALAUFE-UHFFFAOYSA-N -2 3 356.298 1.498 20 5 FDBDHL O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826418765 608166856 /nfs/dbraw/zinc/16/68/56/608166856.db2.gz VNDBPKZOALAUFE-UHFFFAOYSA-N -2 3 356.298 1.498 20 5 FDBDHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000275163638 674612783 /nfs/dbraw/zinc/61/27/83/674612783.db2.gz AWTIKDMIUVHGPG-MGCOHNPYSA-N -2 3 360.363 1.903 20 5 FDBDHL COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])cnc3[O-])s[n-]2)c1 ZINC000478669806 844124718 /nfs/dbraw/zinc/12/47/18/844124718.db2.gz QLOIFDKQEKWPET-UHFFFAOYSA-N -2 3 373.350 1.897 20 5 FDBDHL COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)s[n-]2)c1 ZINC000478669806 844124732 /nfs/dbraw/zinc/12/47/32/844124732.db2.gz QLOIFDKQEKWPET-UHFFFAOYSA-N -2 3 373.350 1.897 20 5 FDBDHL COc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000737930076 925062672 /nfs/dbraw/zinc/06/26/72/925062672.db2.gz AAPICXGGMVYREA-UHFFFAOYSA-N -2 3 352.328 1.724 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)s1 ZINC000826499436 986633551 /nfs/dbraw/zinc/63/35/51/986633551.db2.gz IQTJOUIYNGAMSJ-UHFFFAOYSA-N -2 3 352.357 1.637 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)s1 ZINC000826499436 986633561 /nfs/dbraw/zinc/63/35/61/986633561.db2.gz IQTJOUIYNGAMSJ-UHFFFAOYSA-N -2 3 352.357 1.637 20 5 FDBDHL CS(=O)(=O)c1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[n-]1 ZINC000512635800 538978109 /nfs/dbraw/zinc/97/81/09/538978109.db2.gz TXTUQOKCNYONRT-UHFFFAOYSA-N -2 3 351.300 1.115 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-] ZINC000274875193 181183313 /nfs/dbraw/zinc/18/33/13/181183313.db2.gz BPQCZPNWGCOZFJ-LLVKDONJSA-N -2 3 374.371 1.159 20 5 FDBDHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000274903568 181190859 /nfs/dbraw/zinc/19/08/59/181190859.db2.gz ISEHPVJEIFOTMH-GFCCVEGCSA-N -2 3 374.371 1.144 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000274917618 181194201 /nfs/dbraw/zinc/19/42/01/181194201.db2.gz MDPXFQZRUALQNS-ZCFIWIBFSA-N -2 3 367.177 1.356 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000274942631 181201561 /nfs/dbraw/zinc/20/15/61/181201561.db2.gz FGOBKORAMRFRBB-SECBINFHSA-N -2 3 374.371 1.161 20 5 FDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000275196609 181258788 /nfs/dbraw/zinc/25/87/88/181258788.db2.gz GBVVBMQRUXTOTP-ZETCQYMHSA-N -2 3 372.733 1.943 20 5 FDBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000297232063 184248345 /nfs/dbraw/zinc/24/83/45/184248345.db2.gz PAOAPFDLUDJQSV-VIFPVBQESA-N -2 3 374.371 1.288 20 5 FDBDHL Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1C(=O)[O-] ZINC000547894685 542479835 /nfs/dbraw/zinc/47/98/35/542479835.db2.gz GCPMZZKBNPZURT-UHFFFAOYSA-N -2 3 369.330 1.614 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c1C ZINC000548866394 542794036 /nfs/dbraw/zinc/79/40/36/542794036.db2.gz BOVIWQZOEPBBQZ-GWCFXTLKSA-N -2 3 356.400 1.989 20 5 FDBDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000560420657 545003659 /nfs/dbraw/zinc/00/36/59/545003659.db2.gz IRPIMMJMCSETBQ-SSDOTTSWSA-N -2 3 356.278 1.526 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)c([N+](=O)[O-])c1 ZINC000564326077 546880894 /nfs/dbraw/zinc/88/08/94/546880894.db2.gz FBJBEHAGIJFUOU-UHFFFAOYSA-N -2 3 358.372 1.205 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000565750529 547465239 /nfs/dbraw/zinc/46/52/39/547465239.db2.gz PUGXRSSALZRCRZ-QMMMGPOBSA-N -2 3 364.351 1.522 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)c1[N+](=O)[O-] ZINC000572335636 549892015 /nfs/dbraw/zinc/89/20/15/549892015.db2.gz SDTZMUOSALCWRC-LLVKDONJSA-N -2 3 368.371 1.049 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000573493896 550151130 /nfs/dbraw/zinc/15/11/30/550151130.db2.gz DPWAEEVONIPAJQ-UHFFFAOYSA-N -2 3 350.299 1.617 20 5 FDBDHL CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582789769 551267755 /nfs/dbraw/zinc/26/77/55/551267755.db2.gz LBQMGCNXVOGHBL-UHFFFAOYSA-N -2 3 369.355 1.630 20 5 FDBDHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000584056809 551440849 /nfs/dbraw/zinc/44/08/49/551440849.db2.gz FIPBWUKTJKXDFZ-LBPRGKRZSA-N -2 3 360.388 1.632 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)F ZINC000592441084 551995932 /nfs/dbraw/zinc/99/59/32/551995932.db2.gz CGVUIRDBVNHCTL-ZETCQYMHSA-N -2 3 352.315 1.863 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)F ZINC000592441083 551996023 /nfs/dbraw/zinc/99/60/23/551996023.db2.gz CGVUIRDBVNHCTL-SSDOTTSWSA-N -2 3 352.315 1.863 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000619470173 555782367 /nfs/dbraw/zinc/78/23/67/555782367.db2.gz QEOAQMPVCMZBLU-ZDUSSCGKSA-N -2 3 366.351 1.708 20 5 FDBDHL O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436677420 568284045 /nfs/dbraw/zinc/28/40/45/568284045.db2.gz CONSUTJOGBTJQC-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000738358223 599040174 /nfs/dbraw/zinc/04/01/74/599040174.db2.gz BUMJCSWNPZMAAC-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000738358223 599040176 /nfs/dbraw/zinc/04/01/76/599040176.db2.gz BUMJCSWNPZMAAC-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000823648052 607328272 /nfs/dbraw/zinc/32/82/72/607328272.db2.gz SIYGTLSXXJYQCQ-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=C([O-])COc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000517648949 600634197 /nfs/dbraw/zinc/63/41/97/600634197.db2.gz WELKQTHPPVUZJO-UHFFFAOYSA-N -2 3 366.351 1.537 20 5 FDBDHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000833317728 602309690 /nfs/dbraw/zinc/30/96/90/602309690.db2.gz CZGNHGGLAOBYRT-UHFFFAOYSA-N -2 3 372.746 1.647 20 5 FDBDHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc([N+](=O)[O-])c1[O-] ZINC000436816771 816730939 /nfs/dbraw/zinc/73/09/39/816730939.db2.gz PLOSWVHZFIGCMO-ARJAWSKDSA-N -3 3 361.310 1.911 20 5 FDBDHL CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000516930931 539331354 /nfs/dbraw/zinc/33/13/54/539331354.db2.gz FWVLNLXGYAIKRC-ZYHUDNBSSA-N -2 3 372.399 1.775 20 5 FDBDHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)O1 ZINC000522003052 539529648 /nfs/dbraw/zinc/52/96/48/539529648.db2.gz DPHSXUKZAVDTSE-KXUCPTDWSA-N -2 3 358.372 1.385 20 5 FDBDHL Cc1c([C@H]([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C(=O)[O-])cnn1C ZINC000530383360 539958210 /nfs/dbraw/zinc/95/82/10/539958210.db2.gz SMMTVUCEDZTOBT-ZDUSSCGKSA-N -2 3 368.371 1.049 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000274916541 181194085 /nfs/dbraw/zinc/19/40/85/181194085.db2.gz LSFSOFCDARCDKR-LURJTMIESA-N -2 3 367.177 1.356 20 5 FDBDHL Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1C(=O)[O-] ZINC000547887261 542477200 /nfs/dbraw/zinc/47/72/00/542477200.db2.gz PYTJJJADPMTQTN-UHFFFAOYSA-N -2 3 357.369 1.536 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548532951 542692684 /nfs/dbraw/zinc/69/26/84/542692684.db2.gz VFOLOXGDXWWUGB-MNOVXSKESA-N -2 3 358.372 1.061 20 5 FDBDHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548552767 542700765 /nfs/dbraw/zinc/70/07/65/542700765.db2.gz BYBBIAYKBVLDAW-NSHDSACASA-N -2 3 374.758 1.815 20 5 FDBDHL CCC(CC)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000559737009 544778356 /nfs/dbraw/zinc/77/83/56/544778356.db2.gz GEGMFZGQFOJRQO-UHFFFAOYSA-N -2 3 374.371 1.288 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000122923282 524645068 /nfs/dbraw/zinc/64/50/68/524645068.db2.gz LAKYRBVYFOVIHH-UHFFFAOYSA-N -2 3 360.355 1.500 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000122923282 524645076 /nfs/dbraw/zinc/64/50/76/524645076.db2.gz LAKYRBVYFOVIHH-UHFFFAOYSA-N -2 3 360.355 1.500 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000399552004 537795036 /nfs/dbraw/zinc/79/50/36/537795036.db2.gz CHWJINWMDIFQQU-NOZJJQNGSA-N -2 3 360.388 1.627 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000566851487 547906517 /nfs/dbraw/zinc/90/65/17/547906517.db2.gz YJLGBQXTEMZNTO-WRWORJQWSA-N -2 3 350.418 1.988 20 5 FDBDHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000570305733 549233524 /nfs/dbraw/zinc/23/35/24/549233524.db2.gz BHTBFVCERQKOTO-UHFFFAOYSA-N -2 3 371.396 1.200 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000572998860 550041984 /nfs/dbraw/zinc/04/19/84/550041984.db2.gz XDDNITYZGUPTMR-NSHDSACASA-N -2 3 374.415 1.840 20 5 FDBDHL C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862038 551694791 /nfs/dbraw/zinc/69/47/91/551694791.db2.gz JUURCTZRIMOYCM-NXEZZACHSA-N -2 3 374.353 1.794 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000593315138 552088232 /nfs/dbraw/zinc/08/82/32/552088232.db2.gz HPOPWLFRERFURR-HOSYDEDBSA-N -2 3 356.356 1.139 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000596028199 552646370 /nfs/dbraw/zinc/64/63/70/552646370.db2.gz XJBIYDSDXDVGNT-LLVKDONJSA-N -2 3 358.372 1.383 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000600666097 553296222 /nfs/dbraw/zinc/29/62/22/553296222.db2.gz JWSKKKMUSVDYKZ-RYUDHWBXSA-N -2 3 372.399 1.451 20 5 FDBDHL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000740002620 600301477 /nfs/dbraw/zinc/30/14/77/600301477.db2.gz XYODOKAFGQFZFU-UHFFFAOYSA-N -3 3 367.339 1.869 20 5 FDBDHL Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1C(=O)[O-] ZINC000759167181 602308841 /nfs/dbraw/zinc/30/88/41/602308841.db2.gz DXKPIWNDZZQOJC-UHFFFAOYSA-N -2 3 352.328 1.302 20 5 FDBDHL O=C([O-])NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000834242692 605644291 /nfs/dbraw/zinc/64/42/91/605644291.db2.gz DDRWFGLCJNOERL-UHFFFAOYSA-N -2 3 357.266 1.160 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826272704 608107768 /nfs/dbraw/zinc/10/77/68/608107768.db2.gz XOHAPWXEZHDFKX-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL COC(=O)CCc1nnc([N-]C(=O)c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000512774415 689638662 /nfs/dbraw/zinc/63/86/62/689638662.db2.gz DVQDOZINMOKBAY-UHFFFAOYSA-N -2 3 352.328 1.510 20 5 FDBDHL C[C@@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001594536686 986155341 /nfs/dbraw/zinc/15/53/41/986155341.db2.gz FKUYODWOHBYRRW-ZYHUDNBSSA-N -2 3 352.343 1.601 20 5 FDBDHL C[C@@]1(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)NC(=O)[N-]C1=O ZINC000538873305 540903067 /nfs/dbraw/zinc/90/30/67/540903067.db2.gz NIUSNDCDLYUCNB-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000547899179 542481628 /nfs/dbraw/zinc/48/16/28/542481628.db2.gz ZXDOBNKZEVCNPS-VIFPVBQESA-N -2 3 374.371 1.145 20 5 FDBDHL C[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])cc2)NC(=O)[N-]C1=O ZINC000548122119 542562027 /nfs/dbraw/zinc/56/20/27/542562027.db2.gz BKZMGASTKRFNMH-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548267890 542605969 /nfs/dbraw/zinc/60/59/69/542605969.db2.gz CUYPGMDVHDVLFT-SECBINFHSA-N -2 3 364.763 1.349 20 5 FDBDHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000548548130 542698785 /nfs/dbraw/zinc/69/87/85/542698785.db2.gz AFUUXHRGNVTXBZ-NSHDSACASA-N -2 3 369.355 1.174 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548552908 542700974 /nfs/dbraw/zinc/70/09/74/542700974.db2.gz GPLVZYBNQPWNFX-SECBINFHSA-N -2 3 360.369 1.532 20 5 FDBDHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000032096997 519482925 /nfs/dbraw/zinc/48/29/25/519482925.db2.gz NEVJGTAXBWETJA-UHFFFAOYSA-N -2 3 351.340 1.129 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000178219022 525396582 /nfs/dbraw/zinc/39/65/82/525396582.db2.gz AMEBBYNJSXCQIB-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000178219022 525396588 /nfs/dbraw/zinc/39/65/88/525396588.db2.gz AMEBBYNJSXCQIB-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000571885933 549791889 /nfs/dbraw/zinc/79/18/89/549791889.db2.gz BJAFDJJHQSNBID-NQBHXWOUSA-N -2 3 370.383 1.529 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c([N+](=O)[O-])c1 ZINC000578212634 550740012 /nfs/dbraw/zinc/74/00/12/550740012.db2.gz YRJQCCBRIXPNCI-QMMMGPOBSA-N -2 3 370.305 1.835 20 5 FDBDHL C[C@H]1CC([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000579360116 550865218 /nfs/dbraw/zinc/86/52/18/550865218.db2.gz BMYUYAABXTWCMQ-IUCAKERBSA-N -2 3 358.372 1.527 20 5 FDBDHL CCCCOCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000582670383 551254280 /nfs/dbraw/zinc/25/42/80/551254280.db2.gz WJLYRHHICCRXIG-UHFFFAOYSA-N -2 3 360.388 1.778 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])N(C)C1CC1 ZINC000584116705 551449742 /nfs/dbraw/zinc/44/97/42/551449742.db2.gz HOLSOJRDQSXQIS-VIFPVBQESA-N -2 3 357.388 1.054 20 5 FDBDHL COCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000584473902 551502648 /nfs/dbraw/zinc/50/26/48/551502648.db2.gz ULOUEWJXFNJSGF-UHFFFAOYSA-N -2 3 372.399 1.778 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC000590601852 551797371 /nfs/dbraw/zinc/79/73/71/551797371.db2.gz PKVSZBAGIXAIHQ-LBPRGKRZSA-N -2 3 365.367 1.272 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000593274044 552080771 /nfs/dbraw/zinc/08/07/71/552080771.db2.gz QDUYFMYUFUDDAC-SSDOTTSWSA-N -2 3 362.335 1.274 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c1C ZINC000593277839 552081514 /nfs/dbraw/zinc/08/15/14/552081514.db2.gz LIGUNYRDEJOFHX-LBPRGKRZSA-N -2 3 356.400 1.991 20 5 FDBDHL CC(C)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(=O)[O-] ZINC000594673637 552352978 /nfs/dbraw/zinc/35/29/78/552352978.db2.gz RKOYIKMSIJPWSN-UHFFFAOYSA-N -2 3 367.383 1.922 20 5 FDBDHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594673600 552353070 /nfs/dbraw/zinc/35/30/70/552353070.db2.gz QAOQJLIOALWNNP-NSHDSACASA-N -2 3 367.383 1.778 20 5 FDBDHL O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000740520247 602866756 /nfs/dbraw/zinc/86/67/56/602866756.db2.gz QJVAREIOKZZAPF-SECBINFHSA-N -2 3 361.351 1.545 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000823644216 606337905 /nfs/dbraw/zinc/33/79/05/606337905.db2.gz GWRDHHFFCHPEDT-UHFFFAOYSA-N -2 3 362.327 1.281 20 5 FDBDHL COC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCCC1 ZINC000414313846 679338294 /nfs/dbraw/zinc/33/82/94/679338294.db2.gz CCBDIMZJMMSMCX-UHFFFAOYSA-N -2 3 372.355 1.057 20 5 FDBDHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000437001180 681754070 /nfs/dbraw/zinc/75/40/70/681754070.db2.gz VSOGYVWUXGZRAY-UHFFFAOYSA-N -3 3 354.296 1.505 20 5 FDBDHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436971279 810127675 /nfs/dbraw/zinc/12/76/75/810127675.db2.gz IHISGQURQAHZNG-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)s1 ZINC000823643874 946460492 /nfs/dbraw/zinc/46/04/92/946460492.db2.gz DPIVWCBFVACYAX-UHFFFAOYSA-N -2 3 359.374 1.094 20 5 FDBDHL C[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001594536677 986155727 /nfs/dbraw/zinc/15/57/27/986155727.db2.gz FKUYODWOHBYRRW-CMPLNLGQSA-N -2 3 352.343 1.601 20 5 FDBDHL Cc1c([C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C(=O)[O-])cnn1C ZINC000530541283 539997292 /nfs/dbraw/zinc/99/72/92/539997292.db2.gz QWYCJTZUYSEQIS-LBPRGKRZSA-N -2 3 368.371 1.049 20 5 FDBDHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)o1 ZINC000543445363 541593052 /nfs/dbraw/zinc/59/30/52/541593052.db2.gz JJTQOMJCGYBDAF-UHFFFAOYSA-N -2 3 355.328 1.362 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000547900768 542482313 /nfs/dbraw/zinc/48/23/13/542482313.db2.gz XODSFTIEXNJZHQ-SNVBAGLBSA-N -2 3 360.388 1.915 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000548194062 542579995 /nfs/dbraw/zinc/57/99/95/542579995.db2.gz SHTKKCSTNQJICX-CYBMUJFWSA-N -2 3 354.315 1.838 20 5 FDBDHL O=C([O-])c1cc([N-]S(=O)(=O)CCC2CCOCC2)cc([N+](=O)[O-])c1 ZINC000555712250 544011079 /nfs/dbraw/zinc/01/10/79/544011079.db2.gz HPWHQYQXYNSOAE-UHFFFAOYSA-N -2 3 358.372 1.851 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000325475802 537626126 /nfs/dbraw/zinc/62/61/26/537626126.db2.gz GWJMJHBTFSDDTG-GFCCVEGCSA-N -2 3 372.380 1.769 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000399697557 537796928 /nfs/dbraw/zinc/79/69/28/537796928.db2.gz ZWEAOYFVRCCDSX-NOZJJQNGSA-N -2 3 360.388 1.627 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000563232416 546457566 /nfs/dbraw/zinc/45/75/66/546457566.db2.gz XNKCKQVICAHYMQ-JQWIXIFHSA-N -2 3 370.383 1.529 20 5 FDBDHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000564781804 547034780 /nfs/dbraw/zinc/03/47/80/547034780.db2.gz ZFGFMXURPOWPGQ-QWRGUYRKSA-N -2 3 360.388 1.104 20 5 FDBDHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000565060729 547181269 /nfs/dbraw/zinc/18/12/69/547181269.db2.gz GOQAFDXIABNSCI-VHSXEESVSA-N -2 3 358.372 1.386 20 5 FDBDHL 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822270992 599231049 /nfs/dbraw/zinc/23/10/49/599231049.db2.gz HFLVHMOBSGIWNM-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832982971 602122262 /nfs/dbraw/zinc/12/22/62/602122262.db2.gz ZXSIBVCQDHVLSC-UHFFFAOYSA-N -2 3 367.339 1.101 20 5 FDBDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000759169015 602309477 /nfs/dbraw/zinc/30/94/77/602309477.db2.gz WDOPMJDVUZXIFP-UHFFFAOYSA-N -2 3 368.327 1.002 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776449789 604409537 /nfs/dbraw/zinc/40/95/37/604409537.db2.gz AOZUBZUVKYDNDA-LURJTMIESA-N -2 3 367.177 1.356 20 5 FDBDHL O=C([O-])N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000834070071 605642194 /nfs/dbraw/zinc/64/21/94/605642194.db2.gz MBGGYWZEIAVKFT-UHFFFAOYSA-N -2 3 369.277 1.254 20 5 FDBDHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000515801133 689894537 /nfs/dbraw/zinc/89/45/37/689894537.db2.gz PKSFQDZBLJLMGW-ZETCQYMHSA-N -2 3 356.278 1.755 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c([N+](=O)[O-])s1 ZINC001594329016 958202052 /nfs/dbraw/zinc/20/20/52/958202052.db2.gz JAFXXCXVVDHRTP-NSHDSACASA-N -2 3 370.408 1.939 20 5 FDBDHL Cc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cc([N+](=O)[O-])c1 ZINC000518893705 539456173 /nfs/dbraw/zinc/45/61/73/539456173.db2.gz SXHCWRKKAUOHPD-UHFFFAOYSA-N -2 3 357.373 1.379 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275279930 181278775 /nfs/dbraw/zinc/27/87/75/181278775.db2.gz RQOJVRZUOIJUQY-VIFPVBQESA-N -2 3 360.388 1.771 20 5 FDBDHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cccc1[N+](=O)[O-] ZINC000537654409 540757229 /nfs/dbraw/zinc/75/72/29/540757229.db2.gz MRFMWRBFXWOSJM-UHFFFAOYSA-N -2 3 361.335 1.588 20 5 FDBDHL C[C@]1(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])cc2)NC(=O)[N-]C1=O ZINC000538873306 540903305 /nfs/dbraw/zinc/90/33/05/540903305.db2.gz NIUSNDCDLYUCNB-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000547899941 542481823 /nfs/dbraw/zinc/48/18/23/542481823.db2.gz JOCCKVOISOVYTB-ZDUSSCGKSA-N -2 3 372.305 1.977 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547917403 542487123 /nfs/dbraw/zinc/48/71/23/542487123.db2.gz IFDOGHUBFMDSRT-CYBMUJFWSA-N -2 3 354.315 1.838 20 5 FDBDHL O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1cccs1 ZINC000548545058 542697893 /nfs/dbraw/zinc/69/78/93/542697893.db2.gz ZBCZQOIQJWXILS-LLVKDONJSA-N -2 3 356.381 1.631 20 5 FDBDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000551995835 543400998 /nfs/dbraw/zinc/40/09/98/543400998.db2.gz QWOSWYITGWOPDN-SECBINFHSA-N -2 3 370.305 1.667 20 5 FDBDHL C[C@@]1(c2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)NC(=O)[N-]C1=O ZINC000552016700 543405771 /nfs/dbraw/zinc/40/57/71/543405771.db2.gz URNYLDSJKJFGAF-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)cc1C ZINC000325408361 259049437 /nfs/dbraw/zinc/04/94/37/259049437.db2.gz SFCOUCBAWISWJD-UHFFFAOYSA-N -2 3 358.372 1.124 20 5 FDBDHL Cc1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000047293401 522493225 /nfs/dbraw/zinc/49/32/25/522493225.db2.gz UAMDZSSYVKLEBH-UHFFFAOYSA-N -2 3 357.373 1.379 20 5 FDBDHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000164371263 525501514 /nfs/dbraw/zinc/50/15/14/525501514.db2.gz KMAVEHHIMKKVAM-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000164371263 525501523 /nfs/dbraw/zinc/50/15/23/525501523.db2.gz KMAVEHHIMKKVAM-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000298925781 537373688 /nfs/dbraw/zinc/37/36/88/537373688.db2.gz CYIKPOUMRIPVSE-LURJTMIESA-N -2 3 367.177 1.499 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000325507927 537625825 /nfs/dbraw/zinc/62/58/25/537625825.db2.gz BFXADUBJXXBKFK-OCCSQVGLSA-N -2 3 358.372 1.525 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000325554355 537626941 /nfs/dbraw/zinc/62/69/41/537626941.db2.gz ISYFGVATBCWOHJ-JSGCOSHPSA-N -2 3 358.372 1.525 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1O ZINC000391749208 537772132 /nfs/dbraw/zinc/77/21/32/537772132.db2.gz FLPSZSKDEMOHGA-UHFFFAOYSA-N -3 3 354.296 1.505 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000399697567 537797082 /nfs/dbraw/zinc/79/70/82/537797082.db2.gz ZWEAOYFVRCCDSX-ZANVPECISA-N -2 3 360.388 1.627 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC000562997274 546348142 /nfs/dbraw/zinc/34/81/42/546348142.db2.gz WWZOKMHOPVRMJX-GFCCVEGCSA-N -2 3 372.399 1.309 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCSCC2)c([N+](=O)[O-])c1 ZINC000567810641 548269374 /nfs/dbraw/zinc/26/93/74/548269374.db2.gz AIEJESCIUDSTDP-UHFFFAOYSA-N -2 3 360.413 1.532 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000576935927 550601716 /nfs/dbraw/zinc/60/17/16/550601716.db2.gz IEFYHHXCGLUALX-ZYHUDNBSSA-N -2 3 358.372 1.061 20 5 FDBDHL CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000593941307 552230536 /nfs/dbraw/zinc/23/05/36/552230536.db2.gz KAJPWJHWZFZPAY-MGCOHNPYSA-N -2 3 372.399 1.917 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)cc1C ZINC000594718886 552363109 /nfs/dbraw/zinc/36/31/09/552363109.db2.gz DJSOFIMTWLINSP-LBPRGKRZSA-N -2 3 356.400 1.991 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-] ZINC000594720583 552363290 /nfs/dbraw/zinc/36/32/90/552363290.db2.gz QJUNRAZZQOJXTF-GFCCVEGCSA-N -2 3 350.324 1.085 20 5 FDBDHL O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436620284 568059595 /nfs/dbraw/zinc/05/95/95/568059595.db2.gz VAOOXIAUTDMGAF-LBPRGKRZSA-N -2 3 370.321 1.303 20 5 FDBDHL COc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000737848937 600631562 /nfs/dbraw/zinc/63/15/62/600631562.db2.gz IRXKGGCOFADCRL-UHFFFAOYSA-N -2 3 352.328 1.724 20 5 FDBDHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000739929161 603239185 /nfs/dbraw/zinc/23/91/85/603239185.db2.gz WWGNUDOEQGGMEH-SECBINFHSA-N -2 3 363.779 1.669 20 5 FDBDHL Cc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822362456 607154487 /nfs/dbraw/zinc/15/44/87/607154487.db2.gz UGSBLCJCRUFKKR-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000776508978 978750572 /nfs/dbraw/zinc/75/05/72/978750572.db2.gz YTYVRVPZQYAPEM-LURJTMIESA-N -2 3 372.733 1.943 20 5 FDBDHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H](C)O1 ZINC000522003051 539529592 /nfs/dbraw/zinc/52/95/92/539529592.db2.gz DPHSXUKZAVDTSE-BBBLOLIVSA-N -2 3 358.372 1.385 20 5 FDBDHL Cc1c([C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C(=O)[O-])cnn1C ZINC000530541282 539997058 /nfs/dbraw/zinc/99/70/58/539997058.db2.gz QWYCJTZUYSEQIS-GFCCVEGCSA-N -2 3 368.371 1.049 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000275039722 181223075 /nfs/dbraw/zinc/22/30/75/181223075.db2.gz VJPYAXKDDNLBQO-SECBINFHSA-N -2 3 374.371 1.161 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275118018 181243627 /nfs/dbraw/zinc/24/36/27/181243627.db2.gz SUBDGYJMSRRHTA-SECBINFHSA-N -2 3 364.401 1.088 20 5 FDBDHL O=C(c1cccc([O-])c1)N1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000538386874 540851549 /nfs/dbraw/zinc/85/15/49/540851549.db2.gz HGWXKJRDJUOPPM-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])n1 ZINC000541927668 541300393 /nfs/dbraw/zinc/30/03/93/541300393.db2.gz LZZNPUSOWLEDTR-UHFFFAOYSA-N -2 3 365.367 1.517 20 5 FDBDHL O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccccc1F ZINC000547899983 542481607 /nfs/dbraw/zinc/48/16/07/542481607.db2.gz KSEGINWNZKHDPR-CYBMUJFWSA-N -2 3 368.342 1.708 20 5 FDBDHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547934973 542492831 /nfs/dbraw/zinc/49/28/31/542492831.db2.gz MGELDQGQOHZEON-ONGXEEELSA-N -2 3 366.779 1.141 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000548194065 542579978 /nfs/dbraw/zinc/57/99/78/542579978.db2.gz SHTKKCSTNQJICX-ZDUSSCGKSA-N -2 3 354.315 1.838 20 5 FDBDHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000548200594 542582684 /nfs/dbraw/zinc/58/26/84/542582684.db2.gz RGMYNRQBQYNSNP-NSHDSACASA-N -2 3 374.400 1.111 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c1C ZINC000548200191 542582701 /nfs/dbraw/zinc/58/27/01/542582701.db2.gz GKJDUVUFQHEOOX-VXGBXAGGSA-N -2 3 372.399 1.370 20 5 FDBDHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000548205003 542585242 /nfs/dbraw/zinc/58/52/42/542585242.db2.gz ZAGMJLFKUDWEDY-GFCCVEGCSA-N -2 3 372.380 1.769 20 5 FDBDHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548267894 542606212 /nfs/dbraw/zinc/60/62/12/542606212.db2.gz CUYPGMDVHDVLFT-VIFPVBQESA-N -2 3 364.763 1.349 20 5 FDBDHL CCc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000548540264 542695388 /nfs/dbraw/zinc/69/53/88/542695388.db2.gz GPIOKOCGBDARPX-UHFFFAOYSA-N -2 3 365.367 1.729 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000548555998 542701909 /nfs/dbraw/zinc/70/19/09/542701909.db2.gz JUAAWXSMPDGIQC-JTQLQIEISA-N -2 3 360.388 1.915 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000128939464 173123325 /nfs/dbraw/zinc/12/33/25/173123325.db2.gz DJZJGCXXHXPZNJ-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000128939464 173123327 /nfs/dbraw/zinc/12/33/27/173123327.db2.gz DJZJGCXXHXPZNJ-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL C[C@@H]1CN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@@H](C)O1 ZINC000324949966 537623720 /nfs/dbraw/zinc/62/37/20/537623720.db2.gz GQISAZIOODORHJ-RKDXNWHRSA-N -2 3 359.360 1.059 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326798746 537631306 /nfs/dbraw/zinc/63/13/06/537631306.db2.gz BRNOKTFERGYQFU-UKRRQHHQSA-N -2 3 372.399 1.915 20 5 FDBDHL C[N-]S(=O)(=O)c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000561002113 545647996 /nfs/dbraw/zinc/64/79/96/545647996.db2.gz XFMRVBAWYWFHIL-UHFFFAOYSA-N -2 3 369.330 1.600 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000563232418 546457397 /nfs/dbraw/zinc/45/73/97/546457397.db2.gz XNKCKQVICAHYMQ-ZYHUDNBSSA-N -2 3 370.383 1.529 20 5 FDBDHL Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563232189 546457508 /nfs/dbraw/zinc/45/75/08/546457508.db2.gz WJXWBRAYYDGTQT-UHFFFAOYSA-N -2 3 369.355 1.419 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c1[N+](=O)[O-] ZINC000563232417 546457694 /nfs/dbraw/zinc/45/76/94/546457694.db2.gz XNKCKQVICAHYMQ-PWSUYJOCSA-N -2 3 370.383 1.529 20 5 FDBDHL COc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)ccc1[N+](=O)[O-] ZINC000564203426 546842466 /nfs/dbraw/zinc/84/24/66/546842466.db2.gz KKQDZRIYMUSGBK-ZETCQYMHSA-N -2 3 368.314 1.238 20 5 FDBDHL CCC[C@](C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000566174749 547640999 /nfs/dbraw/zinc/64/09/99/547640999.db2.gz WZLFXPFODIUFKO-AWEZNQCLSA-N -2 3 374.371 1.288 20 5 FDBDHL CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000568096632 548396926 /nfs/dbraw/zinc/39/69/26/548396926.db2.gz JTUFTHRCRKJZJN-WCQYABFASA-N -2 3 372.399 1.775 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1C ZINC000568741200 548660161 /nfs/dbraw/zinc/66/01/61/548660161.db2.gz POPXPKSRIDNFKG-BXUZGUMPSA-N -2 3 372.399 1.370 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCOC(C)(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000577846474 550701344 /nfs/dbraw/zinc/70/13/44/550701344.db2.gz FQEUZUGTVALDIS-NSHDSACASA-N -2 3 374.415 1.840 20 5 FDBDHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000580323068 550966901 /nfs/dbraw/zinc/96/69/01/550966901.db2.gz CLYRNGFKUNOKPM-GKQMSVHHSA-N -2 3 372.355 1.064 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1C ZINC000583559752 551369177 /nfs/dbraw/zinc/36/91/77/551369177.db2.gz IZLFUNGODWKRMG-DGCLKSJQSA-N -2 3 372.399 1.370 20 5 FDBDHL 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QTRIUZUQWHOKHU-NQBHXWOUSA-N -2 3 370.383 1.529 20 5 FDBDHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566317116 547709926 /nfs/dbraw/zinc/70/99/26/547709926.db2.gz WOZLSSPUZQELMG-NXEZZACHSA-N -2 3 358.372 1.244 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)c1C ZINC000566615851 547827775 /nfs/dbraw/zinc/82/77/75/547827775.db2.gz TUNLJNBZJSLLRK-CQSZACIVSA-N -2 3 358.372 1.124 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000566702916 547857678 /nfs/dbraw/zinc/85/76/78/547857678.db2.gz DFNVVMILQQJAOO-SSDOTTSWSA-N -2 3 368.314 1.238 20 5 FDBDHL CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000568096633 548396637 /nfs/dbraw/zinc/39/66/37/548396637.db2.gz JTUFTHRCRKJZJN-YPMHNXCESA-N -2 3 372.399 1.775 20 5 FDBDHL CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000572529672 549936015 /nfs/dbraw/zinc/93/60/15/549936015.db2.gz QEMZKZWRRXJWJG-IUODEOHRSA-N -2 3 372.399 1.775 20 5 FDBDHL COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574523811 550328541 /nfs/dbraw/zinc/32/85/41/550328541.db2.gz WZNSSPUCQFMYEC-SNVBAGLBSA-N -2 3 374.371 1.159 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000579522819 550882394 /nfs/dbraw/zinc/88/23/94/550882394.db2.gz BMMUBSXEJNILEW-MRVPVSSYSA-N -2 3 352.315 1.538 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1[N+](=O)[O-] ZINC000582177098 551186481 /nfs/dbraw/zinc/18/64/81/551186481.db2.gz ZGDAWPKCXAIBLT-NSHDSACASA-N -2 3 368.371 1.049 20 5 FDBDHL C[C@@H]1CC([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000582184593 551188031 /nfs/dbraw/zinc/18/80/31/551188031.db2.gz FNXLXKQKYVRWGI-RKDXNWHRSA-N -2 3 358.372 1.527 20 5 FDBDHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592146201 551949109 /nfs/dbraw/zinc/94/91/09/551949109.db2.gz AIJZGGPWZVDUOF-UHFFFAOYSA-N -2 3 360.388 1.915 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000593272232 552080391 /nfs/dbraw/zinc/08/03/91/552080391.db2.gz HGJAXGPMANSMLU-LBPRGKRZSA-N -2 3 356.400 1.991 20 5 FDBDHL CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593309428 552087202 /nfs/dbraw/zinc/08/72/02/552087202.db2.gz WMUGIPRNTDJXQV-VIFPVBQESA-N -2 3 374.371 1.159 20 5 FDBDHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000593315342 552088437 /nfs/dbraw/zinc/08/84/37/552088437.db2.gz DILWZEWGUAZVSB-OASPWFOLSA-N -2 3 370.383 1.385 20 5 FDBDHL Cn1[n-]c([C@H]2CCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1=N ZINC000593680501 552172385 /nfs/dbraw/zinc/17/23/85/552172385.db2.gz XPJGLSXQNAYUFR-SECBINFHSA-N -2 3 366.765 1.472 20 5 FDBDHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594680755 552354456 /nfs/dbraw/zinc/35/44/56/552354456.db2.gz NGQNMZCBLOMDLL-VIFPVBQESA-N -2 3 365.367 1.675 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-] ZINC000594721682 552363789 /nfs/dbraw/zinc/36/37/89/552363789.db2.gz YCPYSNZOAQJXOY-GFCCVEGCSA-N -2 3 350.324 1.085 20 5 FDBDHL Cc1noc(C)c1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600666288 553296602 /nfs/dbraw/zinc/29/66/02/553296602.db2.gz PAWNDMYZQOEBHK-CQSZACIVSA-N -2 3 369.355 1.478 20 5 FDBDHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000261706734 597347059 /nfs/dbraw/zinc/34/70/59/597347059.db2.gz PABBFLHCBBOLOT-UHFFFAOYSA-N -2 3 356.278 1.757 20 5 FDBDHL CCN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000739434172 602552539 /nfs/dbraw/zinc/55/25/39/602552539.db2.gz MRKZUMWUDAUJQH-UHFFFAOYSA-N -2 3 351.768 1.526 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822129228 607025996 /nfs/dbraw/zinc/02/59/96/607025996.db2.gz JKGLRBMNEYYCQY-UHFFFAOYSA-N -2 3 367.372 1.341 20 5 FDBDHL COc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000327581363 676593858 /nfs/dbraw/zinc/59/38/58/676593858.db2.gz DBTKRSMUHLXVPB-UHFFFAOYSA-N -3 3 368.323 1.808 20 5 FDBDHL O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000371530878 677719378 /nfs/dbraw/zinc/71/93/78/677719378.db2.gz NBZKORMJXRQVME-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=C(Nc1nc(Br)ccc1[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770646778 930186895 /nfs/dbraw/zinc/18/68/95/930186895.db2.gz HDVMTJKESFLAHK-UHFFFAOYSA-N -2 3 355.104 1.811 20 5 FDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823647274 946460027 /nfs/dbraw/zinc/46/00/27/946460027.db2.gz JSBLSKUAOYVFAL-UHFFFAOYSA-N -2 3 353.345 1.032 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1N ZINC001174505434 962886781 /nfs/dbraw/zinc/88/67/81/962886781.db2.gz XUPUZRXKRAZDGY-UHFFFAOYSA-N -2 3 351.340 1.984 20 5 FDBDHL Cn1nccc1[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001605561944 973799055 /nfs/dbraw/zinc/79/90/55/973799055.db2.gz YZDZHZGULNTILW-NSHDSACASA-N -2 3 354.269 1.362 20 5 FDBDHL Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826299599 981930444 /nfs/dbraw/zinc/93/04/44/981930444.db2.gz MDCRSNPWYFQZTI-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL C[C@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC001594424576 999588431 /nfs/dbraw/zinc/58/84/31/999588431.db2.gz WYYTYGCTMNELAC-CMPLNLGQSA-N -2 3 352.343 1.601 20 5 FDBDHL CSCC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000274918363 181194288 /nfs/dbraw/zinc/19/42/88/181194288.db2.gz MFRHLYHYQLVSSN-JTQLQIEISA-N -2 3 362.429 1.696 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000275375377 181302898 /nfs/dbraw/zinc/30/28/98/181302898.db2.gz ZCLIVKGRBQEEHY-SSDOTTSWSA-N -2 3 372.277 1.287 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c([N+](=O)[O-])c1 ZINC000543789145 541661965 /nfs/dbraw/zinc/66/19/65/541661965.db2.gz YBAHRHZGIBNYOT-UHFFFAOYSA-N -2 3 365.367 1.517 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000547877619 542473517 /nfs/dbraw/zinc/47/35/17/542473517.db2.gz RJPGVLJGVXCYAO-CYBMUJFWSA-N -2 3 352.324 1.405 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000547896677 542480633 /nfs/dbraw/zinc/48/06/33/542480633.db2.gz NZUGPQMGLNDBAE-LLVKDONJSA-N -2 3 370.339 1.171 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548532743 542692690 /nfs/dbraw/zinc/69/26/90/542692690.db2.gz KTOMGBMYINNBLA-IUCAKERBSA-N -2 3 364.401 1.123 20 5 FDBDHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000270507024 674219738 /nfs/dbraw/zinc/21/97/38/674219738.db2.gz OOLZDKCNARYYMK-LURJTMIESA-N -2 3 367.177 1.499 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000122919100 524642485 /nfs/dbraw/zinc/64/24/85/524642485.db2.gz PCZSETJIYNOSKV-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000122919100 524642493 /nfs/dbraw/zinc/64/24/93/524642493.db2.gz PCZSETJIYNOSKV-UHFFFAOYSA-N -2 3 374.382 1.808 20 5 FDBDHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414390531 537798900 /nfs/dbraw/zinc/79/89/00/537798900.db2.gz IZUCGVYXCKVTBM-WCABBAIRSA-N -2 3 358.372 1.385 20 5 FDBDHL Cn1c(=O)[nH]c2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000442239640 538356491 /nfs/dbraw/zinc/35/64/91/538356491.db2.gz UNHSSZQKROWCGF-UHFFFAOYSA-N -2 3 364.339 1.694 20 5 FDBDHL CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])OC ZINC000565061687 547182527 /nfs/dbraw/zinc/18/25/27/547182527.db2.gz WZWLFJSPFOKZAK-CABZTGNLSA-N -2 3 360.388 1.632 20 5 FDBDHL CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000566013669 547566759 /nfs/dbraw/zinc/56/67/59/547566759.db2.gz XSVLANSWIMRTQK-GXSJLCMTSA-N -2 3 360.388 1.632 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000566056065 547581879 /nfs/dbraw/zinc/58/18/79/547581879.db2.gz LHWPFMFEJKADBP-ZCFIWIBFSA-N -2 3 356.278 1.613 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1[N+](=O)[O-] ZINC000568935914 548735626 /nfs/dbraw/zinc/73/56/26/548735626.db2.gz MBKSHKXTWAPTBY-UHFFFAOYSA-N -2 3 371.396 1.845 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1[N+](=O)[O-] ZINC000572932284 550026309 /nfs/dbraw/zinc/02/63/09/550026309.db2.gz BPPFKJDDBNBYQA-AWEZNQCLSA-N -3 3 374.371 1.056 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c([N+](=O)[O-])c1 ZINC000575215197 550445121 /nfs/dbraw/zinc/44/51/21/550445121.db2.gz CXSTZWAZOJZDHU-SSDOTTSWSA-N -2 3 368.314 1.238 20 5 FDBDHL CO[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000576404096 550545741 /nfs/dbraw/zinc/54/57/41/550545741.db2.gz ZPFJFFGKDVVPFK-ISVAXAHUSA-N -2 3 358.372 1.385 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000579003728 550825257 /nfs/dbraw/zinc/82/52/57/550825257.db2.gz OHTPBOXTNRZDQF-IAQYHMDHSA-N -2 3 372.399 1.915 20 5 FDBDHL C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588863234 551694509 /nfs/dbraw/zinc/69/45/09/551694509.db2.gz VRRHLWLYQFUJPP-VHSXEESVSA-N -2 3 374.353 1.794 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C1CCC1 ZINC000596026771 552646152 /nfs/dbraw/zinc/64/61/52/552646152.db2.gz MMHZPRARZWIGJN-NSHDSACASA-N -2 3 358.372 1.383 20 5 FDBDHL C[C@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)NC(=O)[N-]C1=O ZINC000603610407 553806281 /nfs/dbraw/zinc/80/62/81/553806281.db2.gz IRRWUDGYZSJTKW-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)cc1C ZINC000619750649 555830830 /nfs/dbraw/zinc/83/08/30/555830830.db2.gz MYORDHRAVOSHGS-YGRLFVJLSA-N -2 3 356.400 1.989 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])o1 ZINC000740176707 599768354 /nfs/dbraw/zinc/76/83/54/599768354.db2.gz RPZPOTQRYKMUKP-UHFFFAOYSA-N -2 3 355.328 1.276 20 5 FDBDHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000834156217 605409594 /nfs/dbraw/zinc/40/95/94/605409594.db2.gz WLDNVTDKIYYLRK-UHFFFAOYSA-N -2 3 363.779 1.717 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000823634454 606980910 /nfs/dbraw/zinc/98/09/10/606980910.db2.gz FXSYIBKQICWSIP-UHFFFAOYSA-N -2 3 365.306 1.110 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000823634454 606980911 /nfs/dbraw/zinc/98/09/11/606980911.db2.gz FXSYIBKQICWSIP-UHFFFAOYSA-N -2 3 365.306 1.110 20 5 FDBDHL C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000824513313 609501134 /nfs/dbraw/zinc/50/11/34/609501134.db2.gz AWRIWSZOSSFENA-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000824513313 609501136 /nfs/dbraw/zinc/50/11/36/609501136.db2.gz AWRIWSZOSSFENA-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL Cc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000320363974 676560030 /nfs/dbraw/zinc/56/00/30/676560030.db2.gz CGGYATNQBGFGDB-UHFFFAOYSA-N -2 3 357.369 1.536 20 5 FDBDHL O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436855102 816754133 /nfs/dbraw/zinc/75/41/33/816754133.db2.gz PDNXCNYPEQZCKU-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL COC(=O)c1cnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000788505654 932717619 /nfs/dbraw/zinc/71/76/19/932717619.db2.gz OCPWXPHFBWYXGL-UHFFFAOYSA-N -2 3 364.339 1.153 20 5 FDBDHL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222723 974988255 /nfs/dbraw/zinc/98/82/55/974988255.db2.gz PZBBRDBLZKDATD-UHFFFAOYSA-N -2 3 351.340 1.869 20 5 FDBDHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000275154952 181250211 /nfs/dbraw/zinc/25/02/11/181250211.db2.gz ZGXSLLXIBCLZIV-SNVBAGLBSA-N -2 3 362.429 1.696 20 5 FDBDHL O=C([O-])CC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000536270566 540573522 /nfs/dbraw/zinc/57/35/22/540573522.db2.gz YFLRITYVIKIMSS-UHFFFAOYSA-N -2 3 353.150 1.110 20 5 FDBDHL C[C@]1(c2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)NC(=O)[N-]C1=O ZINC000542802984 541474169 /nfs/dbraw/zinc/47/41/69/541474169.db2.gz FRSWKILMLMPLGG-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000547873548 542471821 /nfs/dbraw/zinc/47/18/21/542471821.db2.gz NCJGXYBZSVBKKP-GFCCVEGCSA-N -2 3 372.380 1.775 20 5 FDBDHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000547899178 542481485 /nfs/dbraw/zinc/48/14/85/542481485.db2.gz ZXDOBNKZEVCNPS-SECBINFHSA-N -2 3 374.371 1.145 20 5 FDBDHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000548552766 542700571 /nfs/dbraw/zinc/70/05/71/542700571.db2.gz BYBBIAYKBVLDAW-LLVKDONJSA-N -2 3 374.758 1.815 20 5 FDBDHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000548581870 542709885 /nfs/dbraw/zinc/70/98/85/542709885.db2.gz SKAKCJNVOHNNGR-MRVPVSSYSA-N -2 3 368.458 1.839 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000571886546 549791631 /nfs/dbraw/zinc/79/16/31/549791631.db2.gz YTLYRFPJMUNJQP-SNVBAGLBSA-N -2 3 358.372 1.388 20 5 FDBDHL COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000574993167 550405903 /nfs/dbraw/zinc/40/59/03/550405903.db2.gz JQXIWWLORVHFHI-UHFFFAOYSA-N -2 3 358.372 1.388 20 5 FDBDHL Cc1c([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])cnn1C ZINC000576948381 550603457 /nfs/dbraw/zinc/60/34/57/550603457.db2.gz WBUQOVRCMLYSGZ-QMMMGPOBSA-N -2 3 368.371 1.374 20 5 FDBDHL CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CC1 ZINC000580571328 550996532 /nfs/dbraw/zinc/99/65/32/550996532.db2.gz FZCBKBHLTUHRKA-OQPBUACISA-N -2 3 358.372 1.385 20 5 FDBDHL CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000582608740 551247864 /nfs/dbraw/zinc/24/78/64/551247864.db2.gz KUABZIMGGGASJW-SNVBAGLBSA-N -2 3 358.372 1.529 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCCOC2)c1C ZINC000583559753 551369155 /nfs/dbraw/zinc/36/91/55/551369155.db2.gz IZLFUNGODWKRMG-WCQYABFASA-N -2 3 372.399 1.370 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000593307630 552086767 /nfs/dbraw/zinc/08/67/67/552086767.db2.gz SJRHCDZPYQXLIW-LBPRGKRZSA-N -2 3 369.399 1.056 20 5 FDBDHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)ccc1[N+](=O)[O-] ZINC000593310913 552087181 /nfs/dbraw/zinc/08/71/81/552087181.db2.gz KIOGEKWGFDTECD-JTQLQIEISA-N -2 3 350.299 1.759 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000594720584 552363299 /nfs/dbraw/zinc/36/32/99/552363299.db2.gz QJUNRAZZQOJXTF-LBPRGKRZSA-N -2 3 350.324 1.085 20 5 FDBDHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000596039771 552648314 /nfs/dbraw/zinc/64/83/14/552648314.db2.gz QJGBKOQFJFYKEZ-QMMMGPOBSA-N -2 3 370.305 1.916 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000619470931 555782652 /nfs/dbraw/zinc/78/26/52/555782652.db2.gz SDMGZQCXGYFALW-WFASDCNBSA-N -2 3 372.399 1.915 20 5 FDBDHL O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000327537276 568214649 /nfs/dbraw/zinc/21/46/49/568214649.db2.gz UTCLQEGKUPGLKM-UHFFFAOYSA-N -2 3 368.342 1.840 20 5 FDBDHL C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000736040092 598883111 /nfs/dbraw/zinc/88/31/11/598883111.db2.gz LZVKETFHEYKLMI-VIFPVBQESA-N -2 3 358.314 1.727 20 5 FDBDHL C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000736040092 598883112 /nfs/dbraw/zinc/88/31/12/598883112.db2.gz LZVKETFHEYKLMI-VIFPVBQESA-N -2 3 358.314 1.727 20 5 FDBDHL C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396491 599554929 /nfs/dbraw/zinc/55/49/29/599554929.db2.gz FWJVVNXWALSAQL-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396491 599554932 /nfs/dbraw/zinc/55/49/32/599554932.db2.gz FWJVVNXWALSAQL-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473820 607962103 /nfs/dbraw/zinc/96/21/03/607962103.db2.gz PRXHSXXTOSAATJ-UHFFFAOYSA-N -2 3 352.310 1.683 20 5 FDBDHL O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473820 607962104 /nfs/dbraw/zinc/96/21/04/607962104.db2.gz PRXHSXXTOSAATJ-UHFFFAOYSA-N -2 3 352.310 1.683 20 5 FDBDHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000516610474 689971294 /nfs/dbraw/zinc/97/12/94/689971294.db2.gz SEWMDZQRJYHZKI-QMMMGPOBSA-N -2 3 352.752 1.016 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001592722692 979226537 /nfs/dbraw/zinc/22/65/37/979226537.db2.gz NTLVDXQXHQTSFV-MRVPVSSYSA-N -2 3 371.396 1.832 20 5 FDBDHL O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507293153 538914462 /nfs/dbraw/zinc/91/44/62/538914462.db2.gz XQDIFKJLOINQQB-UHFFFAOYSA-N -2 3 371.396 1.070 20 5 FDBDHL C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CCOCC1 ZINC000518778760 539444253 /nfs/dbraw/zinc/44/42/53/539444253.db2.gz RBTXRFDQDWYESP-SECBINFHSA-N -2 3 358.372 1.386 20 5 FDBDHL C[C@@]1(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)NC(=O)[N-]C1=O ZINC000532277016 540150882 /nfs/dbraw/zinc/15/08/82/540150882.db2.gz QKPAHUGDRRRFIZ-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000274930520 181198385 /nfs/dbraw/zinc/19/83/85/181198385.db2.gz CHTREZXRFMNKQL-JTQLQIEISA-N -2 3 364.763 1.349 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-] ZINC000275125595 181246170 /nfs/dbraw/zinc/24/61/70/181246170.db2.gz UQFXXZSKTHPVJI-SECBINFHSA-N -2 3 364.401 1.088 20 5 FDBDHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000275661608 181380435 /nfs/dbraw/zinc/38/04/35/181380435.db2.gz OXECJPKFERHKAM-WFASDCNBSA-N -2 3 372.399 1.532 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000283909661 182312408 /nfs/dbraw/zinc/31/24/08/182312408.db2.gz KOLRQJUZXKTFHX-PWSUYJOCSA-N -2 3 374.415 1.838 20 5 FDBDHL Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000546262043 542133806 /nfs/dbraw/zinc/13/38/06/542133806.db2.gz GBDCXPQTAJAOJK-UHFFFAOYSA-N -2 3 355.328 1.376 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-] ZINC000297019517 184226648 /nfs/dbraw/zinc/22/66/48/184226648.db2.gz SGURRKCQGBLFNI-MWLCHTKSSA-N -2 3 358.372 1.383 20 5 FDBDHL COc1cccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000547874326 542472028 /nfs/dbraw/zinc/47/20/28/542472028.db2.gz YAKWUWFOCLMDNV-GFCCVEGCSA-N -2 3 372.380 1.769 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000128940403 173123559 /nfs/dbraw/zinc/12/35/59/173123559.db2.gz PBIBFEZBONMJHV-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000128940403 173123562 /nfs/dbraw/zinc/12/35/62/173123562.db2.gz PBIBFEZBONMJHV-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000270507026 674219800 /nfs/dbraw/zinc/21/98/00/674219800.db2.gz OOLZDKCNARYYMK-ZCFIWIBFSA-N -2 3 367.177 1.499 20 5 FDBDHL NC(=O)c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000032087307 519482092 /nfs/dbraw/zinc/48/20/92/519482092.db2.gz VJVXPFFEZBUPFT-UHFFFAOYSA-N -2 3 355.303 1.339 20 5 FDBDHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000318110175 537611553 /nfs/dbraw/zinc/61/15/53/537611553.db2.gz XBGDFBDUNLIGAK-MRVPVSSYSA-N -2 3 352.752 1.016 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000292396992 537732552 /nfs/dbraw/zinc/73/25/52/537732552.db2.gz IQPUMHXOHAVMRH-NEPJUHHUSA-N -2 3 372.399 1.915 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000387915608 537764676 /nfs/dbraw/zinc/76/46/76/537764676.db2.gz MQFDTLGJXCLMID-ZYHUDNBSSA-N -2 3 372.399 1.915 20 5 FDBDHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414390529 537797692 /nfs/dbraw/zinc/79/76/92/537797692.db2.gz IZUCGVYXCKVTBM-FXPVBKGRSA-N -2 3 358.372 1.385 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])c1 ZINC000563231879 546457389 /nfs/dbraw/zinc/45/73/89/546457389.db2.gz QTRIUZUQWHOKHU-LOWVWBTDSA-N -2 3 370.383 1.529 20 5 FDBDHL CO[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(C)(C)C ZINC000570284376 549225522 /nfs/dbraw/zinc/22/55/22/549225522.db2.gz IBLALTRETPKSEX-LLVKDONJSA-N -2 3 360.388 1.632 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000571885932 549791986 /nfs/dbraw/zinc/79/19/86/549791986.db2.gz BJAFDJJHQSNBID-LOWVWBTDSA-N -2 3 370.383 1.529 20 5 FDBDHL CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000572529671 549936031 /nfs/dbraw/zinc/93/60/31/549936031.db2.gz QEMZKZWRRXJWJG-DOMZBBRYSA-N -2 3 372.399 1.775 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000583799708 551403817 /nfs/dbraw/zinc/40/38/17/551403817.db2.gz IWQGLHMPLLMLFC-SDBXPKJASA-N -2 3 358.372 1.381 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000589063260 551707426 /nfs/dbraw/zinc/70/74/26/551707426.db2.gz ZREYARVAHJQBPB-ZETCQYMHSA-N -2 3 368.314 1.238 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c[n-]1 ZINC000591260774 551854661 /nfs/dbraw/zinc/85/46/61/551854661.db2.gz DGHXHTQTRQUQOT-UHFFFAOYSA-N -2 3 368.371 1.912 20 5 FDBDHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[n-]1 ZINC000591260774 551854662 /nfs/dbraw/zinc/85/46/62/551854662.db2.gz DGHXHTQTRQUQOT-UHFFFAOYSA-N -2 3 368.371 1.912 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000592154605 551951111 /nfs/dbraw/zinc/95/11/11/551951111.db2.gz DMLIGRZFPKHAPJ-AWEZNQCLSA-N -2 3 360.388 1.771 20 5 FDBDHL Cc1c([C@H](C)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])cnn1C ZINC000593312703 552087616 /nfs/dbraw/zinc/08/76/16/552087616.db2.gz FXWXKCGFDHQRDE-QMMMGPOBSA-N -2 3 368.371 1.374 20 5 FDBDHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000594572994 552335451 /nfs/dbraw/zinc/33/54/51/552335451.db2.gz GMGTXZCQYMAKAU-DGCLKSJQSA-N -2 3 372.399 1.450 20 5 FDBDHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594670918 552351684 /nfs/dbraw/zinc/35/16/84/552351684.db2.gz 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C[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567593405 548174456 /nfs/dbraw/zinc/17/44/56/548174456.db2.gz ZODJZKMUCSWFQA-VHSXEESVSA-N -2 3 358.372 1.529 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]CCC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000571886545 549791729 /nfs/dbraw/zinc/79/17/29/549791729.db2.gz YTLYRFPJMUNJQP-JTQLQIEISA-N -2 3 358.372 1.388 20 5 FDBDHL CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000576404097 550545601 /nfs/dbraw/zinc/54/56/01/550545601.db2.gz ZPFJFFGKDVVPFK-OQPBUACISA-N -2 3 358.372 1.385 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000576935925 550601698 /nfs/dbraw/zinc/60/16/98/550601698.db2.gz IEFYHHXCGLUALX-JQWIXIFHSA-N -2 3 358.372 1.061 20 5 FDBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000588306511 551665547 /nfs/dbraw/zinc/66/55/47/551665547.db2.gz VALVSBHFDIWMMJ-SNVBAGLBSA-N -2 3 350.299 1.759 20 5 FDBDHL C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862040 551694782 /nfs/dbraw/zinc/69/47/82/551694782.db2.gz JUURCTZRIMOYCM-VHSXEESVSA-N -2 3 374.353 1.794 20 5 FDBDHL C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000590368214 551776202 /nfs/dbraw/zinc/77/62/02/551776202.db2.gz TWNIIEGPIRJQEN-UWVGGRQHSA-N -2 3 374.353 1.794 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1C ZINC000593277838 552081305 /nfs/dbraw/zinc/08/13/05/552081305.db2.gz LIGUNYRDEJOFHX-GFCCVEGCSA-N -2 3 356.400 1.991 20 5 FDBDHL C[C@H](CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(=O)[O-] ZINC000594671413 552352001 /nfs/dbraw/zinc/35/20/01/552352001.db2.gz PEZUBBRRWIXUOR-SNVBAGLBSA-N -2 3 367.383 1.922 20 5 FDBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594673605 552353038 /nfs/dbraw/zinc/35/30/38/552353038.db2.gz QCLUKBPADQNMHU-ZANVPECISA-N -2 3 367.383 1.921 20 5 FDBDHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600666649 553296480 /nfs/dbraw/zinc/29/64/80/553296480.db2.gz ZXTDAWZYRBDUDZ-WDEREUQCSA-N -2 3 358.372 1.143 20 5 FDBDHL Cc1nc(C2([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)CCCC2)no1 ZINC000604031598 553837217 /nfs/dbraw/zinc/83/72/17/553837217.db2.gz LBORHIQTHHQFFS-UHFFFAOYSA-N -2 3 368.371 1.740 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000619470819 555782671 /nfs/dbraw/zinc/78/26/71/555782671.db2.gz VQNIFDFVYBARIV-SMDDNHRTSA-N -2 3 358.372 1.525 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000619471651 555782798 /nfs/dbraw/zinc/78/27/98/555782798.db2.gz WWYVEYNUMJELQE-VIFPVBQESA-N -2 3 360.388 1.771 20 5 FDBDHL C[C@]1(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)NC(=O)[N-]C1=O ZINC000436673806 568288341 /nfs/dbraw/zinc/28/83/41/568288341.db2.gz MSEUCISQZZRXQI-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000740497619 602456289 /nfs/dbraw/zinc/45/62/89/602456289.db2.gz NTIYQNFHHBWDTB-VIFPVBQESA-N -2 3 361.351 1.402 20 5 FDBDHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000834155875 605410026 /nfs/dbraw/zinc/41/00/26/605410026.db2.gz OXGRINGXYZMIEL-UHFFFAOYSA-N -2 3 363.779 1.717 20 5 FDBDHL C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820397827 607210884 /nfs/dbraw/zinc/21/08/84/607210884.db2.gz UYTGQLDULLCSJZ-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820397827 607210885 /nfs/dbraw/zinc/21/08/85/607210885.db2.gz UYTGQLDULLCSJZ-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414317693 679338620 /nfs/dbraw/zinc/33/86/20/679338620.db2.gz KIPSLQLGYPYHRA-SNVBAGLBSA-N -2 3 374.371 1.159 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])s1 ZINC001594329242 958203379 /nfs/dbraw/zinc/20/33/79/958203379.db2.gz XDKBITYIPPZJGF-VIFPVBQESA-N -2 3 350.418 1.990 20 5 FDBDHL CC[C@@H](CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000297218193 184246359 /nfs/dbraw/zinc/24/63/59/184246359.db2.gz NVQVPZYTOHFKEE-VIFPVBQESA-N -2 3 374.371 1.145 20 5 FDBDHL COc1cccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(=O)[O-])c1 ZINC000547874327 542472021 /nfs/dbraw/zinc/47/20/21/542472021.db2.gz YAKWUWFOCLMDNV-LBPRGKRZSA-N -2 3 372.380 1.769 20 5 FDBDHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548246684 542599491 /nfs/dbraw/zinc/59/94/91/542599491.db2.gz FMCKNGVVPJEOII-SNVBAGLBSA-N -2 3 362.429 1.778 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)c([N+](=O)[O-])c1 ZINC000548541957 542696941 /nfs/dbraw/zinc/69/69/41/542696941.db2.gz FPUNQDFNJSLBAI-UHFFFAOYSA-N -2 3 365.367 1.783 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000560422253 545003680 /nfs/dbraw/zinc/00/36/80/545003680.db2.gz SFGQQBSIOVMNIP-MRVPVSSYSA-N -2 3 370.305 1.835 20 5 FDBDHL CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000032631915 519518089 /nfs/dbraw/zinc/51/80/89/519518089.db2.gz NDBFDRJRQWFXBN-UHFFFAOYSA-N -2 3 365.367 1.769 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cn1cccn1 ZINC000414327987 537782114 /nfs/dbraw/zinc/78/21/14/537782114.db2.gz ZIWGSZAAJIHUAX-JTQLQIEISA-N -2 3 368.371 1.104 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000563072056 546386225 /nfs/dbraw/zinc/38/62/25/546386225.db2.gz JBHAYIBIDGXLRW-UHFFFAOYSA-N -2 3 356.278 1.914 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000563351690 546498384 /nfs/dbraw/zinc/49/83/84/546498384.db2.gz KSDYTBOTKQTTOU-UHFFFAOYSA-N -2 3 368.289 1.899 20 5 FDBDHL CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000568007340 548359467 /nfs/dbraw/zinc/35/94/67/548359467.db2.gz IAVKTSVOCJAPKI-UHFFFAOYSA-N -2 3 369.355 1.630 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCOC2)cc1C ZINC000568741201 548660078 /nfs/dbraw/zinc/66/00/78/548660078.db2.gz POPXPKSRIDNFKG-FZMZJTMJSA-N -2 3 372.399 1.370 20 5 FDBDHL C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568989130 548758496 /nfs/dbraw/zinc/75/84/96/548758496.db2.gz KDWGCAISOHRBHY-JOYOIKCWSA-N -2 3 369.399 1.054 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])Cn1cccn1 ZINC000573615320 550177611 /nfs/dbraw/zinc/17/76/11/550177611.db2.gz WHXYDYFDUHKONA-SNVBAGLBSA-N -2 3 368.371 1.104 20 5 FDBDHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CN1C1CC1 ZINC000575873066 550485801 /nfs/dbraw/zinc/48/58/01/550485801.db2.gz GLYCQRFWNFHKJF-UWVGGRQHSA-N -2 3 369.399 1.197 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c1[N+](=O)[O-] ZINC000577692065 550683693 /nfs/dbraw/zinc/68/36/93/550683693.db2.gz AFCCURYTCYEDEQ-UHFFFAOYSA-N -2 3 354.340 1.981 20 5 FDBDHL O=C(NCC[N-]S(=O)(=O)c1cccs1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000582257038 551198209 /nfs/dbraw/zinc/19/82/09/551198209.db2.gz FGNJKNCPDZIDAV-UHFFFAOYSA-N -2 3 371.396 1.070 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000582778588 551265905 /nfs/dbraw/zinc/26/59/05/551265905.db2.gz ZKGVJGLAOVJYOR-NSHDSACASA-N -2 3 364.351 1.520 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000583799705 551403615 /nfs/dbraw/zinc/40/36/15/551403615.db2.gz IWQGLHMPLLMLFC-AMIZOPFISA-N -2 3 358.372 1.381 20 5 FDBDHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000593316141 552088494 /nfs/dbraw/zinc/08/84/94/552088494.db2.gz KVEGHVYDLCMFJP-ZWKOPEQDSA-N -2 3 370.383 1.385 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000600666098 553296207 /nfs/dbraw/zinc/29/62/07/553296207.db2.gz JWSKKKMUSVDYKZ-VXGBXAGGSA-N -2 3 372.399 1.451 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c[n-]1 ZINC000618907153 555694714 /nfs/dbraw/zinc/69/47/14/555694714.db2.gz VRUFDFPUYIPZTE-UHFFFAOYSA-N -2 3 368.371 1.479 20 5 FDBDHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000436662993 568252878 /nfs/dbraw/zinc/25/28/78/568252878.db2.gz HRPDTIUVQPCHBM-UHFFFAOYSA-N -2 3 352.324 1.888 20 5 FDBDHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000739926550 603240580 /nfs/dbraw/zinc/24/05/80/603240580.db2.gz KGGNLNJOGAMNID-MRVPVSSYSA-N -2 3 363.779 1.669 20 5 FDBDHL COC(=O)[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826118257 609161359 /nfs/dbraw/zinc/16/13/59/609161359.db2.gz YYYFFDJVYWJWMY-LBPRGKRZSA-N -2 3 372.297 1.174 20 5 FDBDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000013028007 670620355 /nfs/dbraw/zinc/62/03/55/670620355.db2.gz IMSXSEBKBYPSKA-UHFFFAOYSA-N -2 3 351.340 1.984 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1N ZINC001176678860 963510177 /nfs/dbraw/zinc/51/01/77/963510177.db2.gz BWRVDJPPLAIWEO-UHFFFAOYSA-N -2 3 351.340 1.984 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCCC1 ZINC000270532918 180494898 /nfs/dbraw/zinc/49/48/98/180494898.db2.gz VISJQELRTKUTCO-UHFFFAOYSA-N -2 3 372.355 1.042 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530421016 539967451 /nfs/dbraw/zinc/96/74/51/539967451.db2.gz ZGFJGRUNRBSRLC-NSHDSACASA-N -2 3 358.372 1.525 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000274942633 181201453 /nfs/dbraw/zinc/20/14/53/181201453.db2.gz FGOBKORAMRFRBB-VIFPVBQESA-N -2 3 374.371 1.161 20 5 FDBDHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC000275661602 181380246 /nfs/dbraw/zinc/38/02/46/181380246.db2.gz OXECJPKFERHKAM-IUODEOHRSA-N -2 3 372.399 1.532 20 5 FDBDHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000282907465 182075298 /nfs/dbraw/zinc/07/52/98/182075298.db2.gz RRBVIIAYFROFHZ-UHFFFAOYSA-N -2 3 365.161 1.253 20 5 FDBDHL CC[C@H](C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)[O-] ZINC000547913804 542485595 /nfs/dbraw/zinc/48/55/95/542485595.db2.gz BUYBPRHAIQBCRV-VIFPVBQESA-N -2 3 374.371 1.145 20 5 FDBDHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547933698 542492419 /nfs/dbraw/zinc/49/24/19/542492419.db2.gz VTCBXQIGSILCFR-DGCLKSJQSA-N -2 3 360.388 1.104 20 5 FDBDHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547934972 542492911 /nfs/dbraw/zinc/49/29/11/542492911.db2.gz MGELDQGQOHZEON-MWLCHTKSSA-N -2 3 366.779 1.141 20 5 FDBDHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000548200593 542582977 /nfs/dbraw/zinc/58/29/77/542582977.db2.gz RGMYNRQBQYNSNP-LLVKDONJSA-N -2 3 374.400 1.111 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000548218043 542589823 /nfs/dbraw/zinc/58/98/23/542589823.db2.gz ZHJLNVXDLHZUEJ-UHFFFAOYSA-N -2 3 360.388 1.773 20 5 FDBDHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])s1 ZINC000548220541 542590464 /nfs/dbraw/zinc/59/04/64/542590464.db2.gz GINAYYCOCBASKR-JTQLQIEISA-N -2 3 371.396 1.334 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000325273530 537625140 /nfs/dbraw/zinc/62/51/40/537625140.db2.gz HDQVIVORWTZIDI-UHFFFAOYSA-N -2 3 356.312 1.373 20 5 FDBDHL C[N-]S(=O)(=O)c1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1F ZINC000561003406 545648911 /nfs/dbraw/zinc/64/89/11/545648911.db2.gz OHUXGOHJHSUFSL-UHFFFAOYSA-N -2 3 369.330 1.600 20 5 FDBDHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000563147904 546424292 /nfs/dbraw/zinc/42/42/92/546424292.db2.gz JKFFWHVFOMXXNU-LBPRGKRZSA-N -2 3 360.388 1.771 20 5 FDBDHL C[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567593404 548174741 /nfs/dbraw/zinc/17/47/41/548174741.db2.gz ZODJZKMUCSWFQA-UWVGGRQHSA-N -2 3 358.372 1.529 20 5 FDBDHL CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000568096631 548396849 /nfs/dbraw/zinc/39/68/49/548396849.db2.gz JTUFTHRCRKJZJN-DGCLKSJQSA-N -2 3 372.399 1.775 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000571450590 549649658 /nfs/dbraw/zinc/64/96/58/549649658.db2.gz FWDYOYIJYYCILL-WCQYABFASA-N -2 3 370.383 1.529 20 5 FDBDHL COC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000581014973 551043295 /nfs/dbraw/zinc/04/32/95/551043295.db2.gz RXAFQNHRSFIPMG-UHFFFAOYSA-N -2 3 358.372 1.531 20 5 FDBDHL CCOC[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])C(C)C ZINC000583816323 551406350 /nfs/dbraw/zinc/40/63/50/551406350.db2.gz SWHTWZIUFDYOHG-LLVKDONJSA-N -2 3 360.388 1.632 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1[N+](=O)[O-] ZINC000589063176 551707392 /nfs/dbraw/zinc/70/73/92/551707392.db2.gz MVIOWVMDSJDMBX-VIFPVBQESA-N -2 3 366.342 1.846 20 5 FDBDHL C[C@@H](CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(=O)[O-] ZINC000594671412 552352035 /nfs/dbraw/zinc/35/20/35/552352035.db2.gz PEZUBBRRWIXUOR-JTQLQIEISA-N -2 3 367.383 1.922 20 5 FDBDHL C[C@@]1(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)NC(=O)[N-]C1=O ZINC000436673805 568285340 /nfs/dbraw/zinc/28/53/40/568285340.db2.gz MSEUCISQZZRXQI-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)[O-] ZINC000738793013 602788702 /nfs/dbraw/zinc/78/87/02/602788702.db2.gz IPWQDJMHFBCHFU-JTQLQIEISA-N -2 3 365.795 1.819 20 5 FDBDHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000834078930 605428993 /nfs/dbraw/zinc/42/89/93/605428993.db2.gz XDTXDMYLKQRBIL-MRVPVSSYSA-N -2 3 363.779 1.526 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1[N+](=O)[O-] ZINC000277299262 674909718 /nfs/dbraw/zinc/90/97/18/674909718.db2.gz RUWPOMMOMFNETL-MRVPVSSYSA-N -2 3 352.315 1.598 20 5 FDBDHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432591959 681160285 /nfs/dbraw/zinc/16/02/85/681160285.db2.gz JVSAIMMUJDZICS-UHFFFAOYSA-N -2 3 351.340 1.924 20 5 FDBDHL Cc1cccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1[N+](=O)[O-] ZINC000492109859 687157547 /nfs/dbraw/zinc/15/75/47/687157547.db2.gz PFSJVGCKTIRBNN-UHFFFAOYSA-N -2 3 357.373 1.379 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c1C ZINC000275027556 181220715 /nfs/dbraw/zinc/22/07/15/181220715.db2.gz SWYLAOSTZRIYGF-UHFFFAOYSA-N -2 3 372.399 1.371 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])c1C ZINC000548200188 542582546 /nfs/dbraw/zinc/58/25/46/542582546.db2.gz GKJDUVUFQHEOOX-NEPJUHHUSA-N -2 3 372.399 1.370 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000556773536 544198701 /nfs/dbraw/zinc/19/87/01/544198701.db2.gz CPFZXHZOJCMUCY-MRVPVSSYSA-N -2 3 370.305 1.835 20 5 FDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC000368516429 260194872 /nfs/dbraw/zinc/19/48/72/260194872.db2.gz CFWHGJOJGONUOV-GFCCVEGCSA-N -2 3 364.763 1.079 20 5 FDBDHL C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2)NC(=O)[N-]C1=O ZINC000060684540 522411882 /nfs/dbraw/zinc/41/18/82/522411882.db2.gz OKBZSMWEVCZOKS-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(S(=O)(=O)CC)ccc2[O-])n1 ZINC000138515214 524259072 /nfs/dbraw/zinc/25/90/72/524259072.db2.gz LHJLAUKFFOMOCJ-UHFFFAOYSA-N -2 3 368.371 1.563 20 5 FDBDHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000315947656 537610134 /nfs/dbraw/zinc/61/01/34/537610134.db2.gz IBLBDCYSMJVCKH-VIFPVBQESA-N -2 3 350.780 1.883 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c1 ZINC000414342103 537784857 /nfs/dbraw/zinc/78/48/57/537784857.db2.gz PMWOFMTWSPIQQS-UHFFFAOYSA-N -2 3 367.339 1.637 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000571450589 549649629 /nfs/dbraw/zinc/64/96/29/549649629.db2.gz FWDYOYIJYYCILL-DGCLKSJQSA-N -2 3 370.383 1.529 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000571450591 549649636 /nfs/dbraw/zinc/64/96/36/549649636.db2.gz FWDYOYIJYYCILL-YPMHNXCESA-N -2 3 370.383 1.529 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000579522820 550882310 /nfs/dbraw/zinc/88/23/10/550882310.db2.gz BMMUBSXEJNILEW-QMMMGPOBSA-N -2 3 352.315 1.538 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c1C ZINC000590898579 551825800 /nfs/dbraw/zinc/82/58/00/551825800.db2.gz LXTZLJVZRWCDJQ-VXGBXAGGSA-N -2 3 356.400 1.991 20 5 FDBDHL Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000592140583 551948520 /nfs/dbraw/zinc/94/85/20/551948520.db2.gz DHULDLGYUCQMLX-MRVPVSSYSA-N -2 3 369.355 1.937 20 5 FDBDHL CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593311376 552087669 /nfs/dbraw/zinc/08/76/69/552087669.db2.gz ZMEUHERYMPWOFV-UHFFFAOYSA-N -2 3 360.388 1.634 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C1CC1 ZINC000594721765 552363763 /nfs/dbraw/zinc/36/37/63/552363763.db2.gz YXOIRRFLBHWHKG-SNVBAGLBSA-N -2 3 358.372 1.383 20 5 FDBDHL Cc1cc(CS(=O)(=O)[N-][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)on1 ZINC000600666339 553296585 /nfs/dbraw/zinc/29/65/85/553296585.db2.gz QDYPPDBZRRJAFN-AWEZNQCLSA-N -2 3 369.355 1.311 20 5 FDBDHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)[O-] ZINC000738793014 602788780 /nfs/dbraw/zinc/78/87/80/602788780.db2.gz IPWQDJMHFBCHFU-SNVBAGLBSA-N -2 3 365.795 1.819 20 5 FDBDHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000825971324 609268744 /nfs/dbraw/zinc/26/87/44/609268744.db2.gz BHHIGMPIJRMAQU-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000825971324 609268746 /nfs/dbraw/zinc/26/87/46/609268746.db2.gz BHHIGMPIJRMAQU-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000823644171 946460711 /nfs/dbraw/zinc/46/07/11/946460711.db2.gz GLHZOTRJXWLFAZ-UHFFFAOYSA-N -2 3 353.345 1.032 20 5 FDBDHL COc1cnc([C@@H]2CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)[n-]c1=O ZINC001180059294 965095316 /nfs/dbraw/zinc/09/53/16/965095316.db2.gz FQHOJZXIEVSHGR-LBPRGKRZSA-N -2 3 360.326 1.782 20 5 FDBDHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000275011289 181217531 /nfs/dbraw/zinc/21/75/31/181217531.db2.gz BXYTVALFICRAPK-SECBINFHSA-N -2 3 352.365 1.219 20 5 FDBDHL COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000275149895 181248745 /nfs/dbraw/zinc/24/87/45/181248745.db2.gz YKZIPJBATWORMK-VIFPVBQESA-N -2 3 352.752 1.016 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000275310109 181286887 /nfs/dbraw/zinc/28/68/87/181286887.db2.gz RFJQDJKLFUSTRD-SSDOTTSWSA-N -2 3 356.278 1.587 20 5 FDBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000297233848 184248414 /nfs/dbraw/zinc/24/84/14/184248414.db2.gz PCVRBNDSOKRFOZ-QMMMGPOBSA-N -2 3 364.351 1.664 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000548549246 542699555 /nfs/dbraw/zinc/69/95/55/542699555.db2.gz MDTUCEUOBLJDMC-SNVBAGLBSA-N -2 3 368.289 1.755 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000326626965 537629642 /nfs/dbraw/zinc/62/96/42/537629642.db2.gz QQXCSJNJUPCTIV-CQSZACIVSA-N -2 3 366.351 1.708 20 5 FDBDHL CCC[C@@](C)([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000566174754 547640708 /nfs/dbraw/zinc/64/07/08/547640708.db2.gz WZLFXPFODIUFKO-CQSZACIVSA-N -2 3 374.371 1.288 20 5 FDBDHL CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000566317423 547709808 /nfs/dbraw/zinc/70/98/08/547709808.db2.gz OBTKPBQJZOONSA-OASPWFOLSA-N -2 3 370.383 1.385 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000571885934 549791931 /nfs/dbraw/zinc/79/19/31/549791931.db2.gz BJAFDJJHQSNBID-WZRBSPASSA-N -2 3 370.383 1.529 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c1[N+](=O)[O-] ZINC000575320760 550452199 /nfs/dbraw/zinc/45/21/99/550452199.db2.gz GWCDVHXCMSACED-VIFPVBQESA-N -2 3 360.413 1.715 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c1[N+](=O)[O-] ZINC000575320759 550452280 /nfs/dbraw/zinc/45/22/80/550452280.db2.gz GWCDVHXCMSACED-SECBINFHSA-N -2 3 360.413 1.715 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000579003730 550825140 /nfs/dbraw/zinc/82/51/40/550825140.db2.gz OHTPBOXTNRZDQF-XHDPSFHLSA-N -2 3 372.399 1.915 20 5 FDBDHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000581345476 551078144 /nfs/dbraw/zinc/07/81/44/551078144.db2.gz DZZYNSULTQSWIV-ZDUSSCGKSA-N -2 3 364.379 1.817 20 5 FDBDHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1[N+](=O)[O-] ZINC000583104241 551304324 /nfs/dbraw/zinc/30/43/24/551304324.db2.gz RIBKSLMOCYUGOC-UHFFFAOYSA-N -3 3 368.323 1.808 20 5 FDBDHL CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000583385223 551343708 /nfs/dbraw/zinc/34/37/08/551343708.db2.gz XIYBCEKZHHEGOO-QWRGUYRKSA-N -2 3 358.372 1.529 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c([N+](=O)[O-])c1 ZINC000583658462 551383394 /nfs/dbraw/zinc/38/33/94/551383394.db2.gz BSQFQWZQMNZIGT-MRVPVSSYSA-N -2 3 352.315 1.538 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])CC(F)F ZINC000593312485 552087507 /nfs/dbraw/zinc/08/75/07/552087507.db2.gz ONTKHVDRBWYWEW-SSDOTTSWSA-N -2 3 352.315 1.863 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C1CCC1 ZINC000596026200 552645848 /nfs/dbraw/zinc/64/58/48/552645848.db2.gz DNVGIAKINHKPOU-NSHDSACASA-N -2 3 358.372 1.383 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000614337586 555039703 /nfs/dbraw/zinc/03/97/03/555039703.db2.gz UJIUZQKVDOXABS-ZDUSSCGKSA-N -2 3 372.305 1.977 20 5 FDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737361533 599039135 /nfs/dbraw/zinc/03/91/35/599039135.db2.gz IPRDJBHLFIKMOS-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000737361533 599039137 /nfs/dbraw/zinc/03/91/37/599039137.db2.gz IPRDJBHLFIKMOS-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cn(C)c1=O ZINC000832900048 604627281 /nfs/dbraw/zinc/62/72/81/604627281.db2.gz ZJZPEWJJTRVFRZ-UHFFFAOYSA-N -2 3 367.339 1.101 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822331994 607026464 /nfs/dbraw/zinc/02/64/64/607026464.db2.gz KHRVQWNZINZUIP-UHFFFAOYSA-N -2 3 367.372 1.341 20 5 FDBDHL CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821609516 607192688 /nfs/dbraw/zinc/19/26/88/607192688.db2.gz ADFQOZSFBYWWBB-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000821609516 607192689 /nfs/dbraw/zinc/19/26/89/607192689.db2.gz ADFQOZSFBYWWBB-UHFFFAOYSA-N -2 3 354.326 1.753 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826243053 608107114 /nfs/dbraw/zinc/10/71/14/608107114.db2.gz RUMHITHLJFQBKB-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499160033 687915077 /nfs/dbraw/zinc/91/50/77/687915077.db2.gz WZSMCBIOPIXPCB-UHFFFAOYSA-N -2 3 365.367 1.817 20 5 FDBDHL Cc1c([N-]S(=O)(=O)C[C@H]2CCCOC2)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000863409459 972882894 /nfs/dbraw/zinc/88/28/94/972882894.db2.gz DOKJYBNNTHRDHC-JTQLQIEISA-N -2 3 358.372 1.770 20 5 FDBDHL C[C@](Cn1cccn1)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001592918799 979909432 /nfs/dbraw/zinc/90/94/32/979909432.db2.gz QWFKJULWPZHUPA-CQSZACIVSA-N -2 3 368.296 1.543 20 5 FDBDHL COc1cccnc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001599719442 991511957 /nfs/dbraw/zinc/51/19/57/991511957.db2.gz DYPWMTFHSVSFGO-UHFFFAOYSA-N -2 3 367.339 1.175 20 5 FDBDHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539973994 541014739 /nfs/dbraw/zinc/01/47/39/541014739.db2.gz HJDARQTUXQRAOP-UHFFFAOYSA-N -2 3 371.396 1.669 20 5 FDBDHL C[C@@]1(c2cccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c2)NC(=O)[N-]C1=O ZINC000545651615 542006505 /nfs/dbraw/zinc/00/65/05/542006505.db2.gz VMSWXDGREHHHDB-INIZCTEOSA-N -2 3 368.309 1.695 20 5 FDBDHL COc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000547883102 542476035 /nfs/dbraw/zinc/47/60/35/542476035.db2.gz WUTPIHZIMBAIDI-AWEZNQCLSA-N -2 3 366.351 1.708 20 5 FDBDHL COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000547931894 542491538 /nfs/dbraw/zinc/49/15/38/542491538.db2.gz NFJGQSROLCEHIO-NSHDSACASA-N -2 3 374.371 1.017 20 5 FDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000548537949 542695048 /nfs/dbraw/zinc/69/50/48/542695048.db2.gz BCLODTDBCATZQI-CPCISQLKSA-N -2 3 364.763 1.016 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCOCC1 ZINC000548594668 542714263 /nfs/dbraw/zinc/71/42/63/542714263.db2.gz YWKXMJPRGNSPMR-LBPRGKRZSA-N -2 3 372.399 1.451 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000563230913 546456923 /nfs/dbraw/zinc/45/69/23/546456923.db2.gz RNIDURNZWILIKK-AAEUAGOBSA-N -2 3 370.383 1.529 20 5 FDBDHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000565060730 547181822 /nfs/dbraw/zinc/18/18/22/547181822.db2.gz GOQAFDXIABNSCI-ZJUUUORDSA-N -2 3 358.372 1.386 20 5 FDBDHL O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000565687385 547443317 /nfs/dbraw/zinc/44/33/17/547443317.db2.gz GRHPBNCIWGPEMA-UHFFFAOYSA-N -2 3 369.330 1.357 20 5 FDBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000566056064 547581739 /nfs/dbraw/zinc/58/17/39/547581739.db2.gz LHWPFMFEJKADBP-LURJTMIESA-N -2 3 356.278 1.613 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]CCOCC2CCCC2)c1[N+](=O)[O-] ZINC000566857981 547909446 /nfs/dbraw/zinc/90/94/46/547909446.db2.gz BPKAEJBGLQFJFW-UHFFFAOYSA-N -2 3 372.399 1.778 20 5 FDBDHL C[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567593403 548174922 /nfs/dbraw/zinc/17/49/22/548174922.db2.gz ZODJZKMUCSWFQA-NXEZZACHSA-N -2 3 358.372 1.529 20 5 FDBDHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000568512075 548569199 /nfs/dbraw/zinc/56/91/99/548569199.db2.gz HIACVDVYMSNCLK-LBPRGKRZSA-N -2 3 360.388 1.771 20 5 FDBDHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC000571568244 549693139 /nfs/dbraw/zinc/69/31/39/549693139.db2.gz MSODBDLBISZJMS-UHFFFAOYSA-N -2 3 369.355 1.419 20 5 FDBDHL O=C([O-])c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000572636753 549961953 /nfs/dbraw/zinc/96/19/53/549961953.db2.gz ASGWCGNHADWOMA-UHFFFAOYSA-N -2 3 356.278 1.914 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)c1C ZINC000579234050 550850559 /nfs/dbraw/zinc/85/05/59/550850559.db2.gz HRRPTVVCCAAYPM-ZDUSSCGKSA-N -2 3 360.413 1.450 20 5 FDBDHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000580431664 550981652 /nfs/dbraw/zinc/98/16/52/550981652.db2.gz WNWCNOUPWHDKKM-LBPRGKRZSA-N -2 3 360.388 1.771 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000593312537 552087560 /nfs/dbraw/zinc/08/75/60/552087560.db2.gz RNJLGNLRCPUHRF-UHFFFAOYSA-N -2 3 358.372 1.267 20 5 FDBDHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594574043 552335851 /nfs/dbraw/zinc/33/58/51/552335851.db2.gz XPEYQCHXBNDHMU-ZETCQYMHSA-N -2 3 374.268 1.705 20 5 FDBDHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594670897 552351652 /nfs/dbraw/zinc/35/16/52/552351652.db2.gz BOQHWHXHQHLZHN-JTQLQIEISA-N -2 3 367.383 1.922 20 5 FDBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594672840 552352759 /nfs/dbraw/zinc/35/27/59/552352759.db2.gz GWMPNWFAFDSQQA-GFCCVEGCSA-N -2 3 353.356 1.531 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c[n-]1 ZINC000618907146 555694525 /nfs/dbraw/zinc/69/45/25/555694525.db2.gz VGBKJJUEAJMSRG-UHFFFAOYSA-N -2 3 354.344 1.604 20 5 FDBDHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000618907146 555694526 /nfs/dbraw/zinc/69/45/26/555694526.db2.gz VGBKJJUEAJMSRG-UHFFFAOYSA-N -2 3 354.344 1.604 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000619470452 555782394 /nfs/dbraw/zinc/78/23/94/555782394.db2.gz SADQMBVXDZEKIE-LURJTMIESA-N -2 3 372.277 1.287 20 5 FDBDHL O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436620283 568058851 /nfs/dbraw/zinc/05/88/51/568058851.db2.gz VAOOXIAUTDMGAF-GFCCVEGCSA-N -2 3 370.321 1.303 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)o1 ZINC000740176832 599768472 /nfs/dbraw/zinc/76/84/72/599768472.db2.gz SMJLFFOLNAQFKS-UHFFFAOYSA-N -2 3 355.328 1.276 20 5 FDBDHL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832898788 602305349 /nfs/dbraw/zinc/30/53/49/602305349.db2.gz CDWQFVCCSIAOET-UHFFFAOYSA-N -2 3 353.312 1.503 20 5 FDBDHL CC(C)N(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000738847366 602388963 /nfs/dbraw/zinc/38/89/63/602388963.db2.gz FMIRPWQFXRIIDF-UHFFFAOYSA-N -2 3 363.367 1.791 20 5 FDBDHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826440463 609160713 /nfs/dbraw/zinc/16/07/13/609160713.db2.gz NLFBKJWFFAQYEF-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL CCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)o1 ZINC000414347183 679341048 /nfs/dbraw/zinc/34/10/48/679341048.db2.gz VQFJROMNIQDBNV-UHFFFAOYSA-N -2 3 369.355 1.630 20 5 FDBDHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436973419 816822062 /nfs/dbraw/zinc/82/20/62/816822062.db2.gz SWUXDACARZLCLM-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc21 ZINC000730088445 916103162 /nfs/dbraw/zinc/10/31/62/916103162.db2.gz GKTMVNCXDMKOBJ-UHFFFAOYSA-N -2 3 365.298 1.418 20 5 FDBDHL C[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC001594424579 999589101 /nfs/dbraw/zinc/58/91/01/999589101.db2.gz WYYTYGCTMNELAC-PWSUYJOCSA-N -2 3 352.343 1.601 20 5 FDBDHL COc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000275269259 181275598 /nfs/dbraw/zinc/27/55/98/181275598.db2.gz NBJMDSCYZDDYAT-SSDOTTSWSA-N -2 3 372.277 1.287 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c([N+](=O)[O-])c1 ZINC000548210367 542587504 /nfs/dbraw/zinc/58/75/04/542587504.db2.gz NISYIGVUIMUEQG-UHFFFAOYSA-N -2 3 357.369 1.536 20 5 FDBDHL O=C(c1cccc([O-])c1)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000092937570 524935675 /nfs/dbraw/zinc/93/56/75/524935675.db2.gz UQMNCXGYQLDHFL-UHFFFAOYSA-N -2 3 357.366 1.964 20 5 FDBDHL C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])C1 ZINC000324997932 537624423 /nfs/dbraw/zinc/62/44/23/537624423.db2.gz XYUKAPHGBIMXDN-UWVGGRQHSA-N -2 3 357.388 1.928 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000285266179 537673761 /nfs/dbraw/zinc/67/37/61/537673761.db2.gz VNLUDIUZDUQTOF-NSHDSACASA-N -2 3 374.415 1.758 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000292351253 537729268 /nfs/dbraw/zinc/72/92/68/537729268.db2.gz FBNBHZCPINALJH-NEPJUHHUSA-N -2 3 372.399 1.915 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000563230916 546456635 /nfs/dbraw/zinc/45/66/35/546456635.db2.gz RNIDURNZWILIKK-YPMHNXCESA-N -2 3 370.383 1.529 20 5 FDBDHL CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000563540817 546580427 /nfs/dbraw/zinc/58/04/27/546580427.db2.gz GXBGXFWIMGSEQP-JTQLQIEISA-N -2 3 372.399 1.777 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)cc1C ZINC000565829155 547498378 /nfs/dbraw/zinc/49/83/78/547498378.db2.gz XDPKYFQIXJPHAW-CQSZACIVSA-N -2 3 358.372 1.124 20 5 FDBDHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000568512073 548569161 /nfs/dbraw/zinc/56/91/61/548569161.db2.gz HIACVDVYMSNCLK-GFCCVEGCSA-N -2 3 360.388 1.771 20 5 FDBDHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000574045366 550251437 /nfs/dbraw/zinc/25/14/37/550251437.db2.gz QDGHAYLKGNQNAV-GXSJLCMTSA-N -2 3 369.399 1.197 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@]1(C)CCCC[C@@H]1C(=O)[O-] ZINC000592151821 551950580 /nfs/dbraw/zinc/95/05/80/551950580.db2.gz ZQSIEKUYTWTXRR-MEBBXXQBSA-N -2 3 372.399 1.915 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000592154606 551951069 /nfs/dbraw/zinc/95/10/69/551951069.db2.gz DMLIGRZFPKHAPJ-CQSZACIVSA-N -2 3 360.388 1.771 20 5 FDBDHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000592154709 551951080 /nfs/dbraw/zinc/95/10/80/551951080.db2.gz ISJWBVYHIYDZJN-KNVOCYPGSA-N -2 3 368.289 1.755 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000593315137 552088208 /nfs/dbraw/zinc/08/82/08/552088208.db2.gz HPOPWLFRERFURR-FOGDFJRCSA-N -2 3 356.356 1.139 20 5 FDBDHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594672841 552352748 /nfs/dbraw/zinc/35/27/48/552352748.db2.gz GWMPNWFAFDSQQA-LBPRGKRZSA-N -2 3 353.356 1.531 20 5 FDBDHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594673559 552353117 /nfs/dbraw/zinc/35/31/17/552353117.db2.gz PCEUZDHYKCHNFR-GFCCVEGCSA-N -2 3 367.383 1.921 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1[N+](=O)[O-] ZINC000596024640 552645646 /nfs/dbraw/zinc/64/56/46/552645646.db2.gz QIXQEILDCUIJRW-GFCCVEGCSA-N -2 3 356.400 1.991 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000600665629 553296140 /nfs/dbraw/zinc/29/61/40/553296140.db2.gz JWSKKKMUSVDYKZ-NEPJUHHUSA-N -2 3 372.399 1.451 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c[n-]1 ZINC000618906543 555693814 /nfs/dbraw/zinc/69/38/14/555693814.db2.gz MOPHKJHSBIQCPX-UHFFFAOYSA-N -2 3 370.343 1.304 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000619471650 555782817 /nfs/dbraw/zinc/78/28/17/555782817.db2.gz WWYVEYNUMJELQE-SECBINFHSA-N -2 3 360.388 1.771 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000619470933 555782832 /nfs/dbraw/zinc/78/28/32/555782832.db2.gz UCHLZNPGHRXQCK-UHFFFAOYSA-N -2 3 373.368 1.237 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000738359049 599040125 /nfs/dbraw/zinc/04/01/25/599040125.db2.gz IWAIVIUBTMJQAJ-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000738359049 599040127 /nfs/dbraw/zinc/04/01/27/599040127.db2.gz IWAIVIUBTMJQAJ-UHFFFAOYSA-N -2 3 364.318 1.715 20 5 FDBDHL CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000760118321 597146106 /nfs/dbraw/zinc/14/61/06/597146106.db2.gz ZGMVPYPYKPIXJN-MRVPVSSYSA-N -2 3 367.177 1.499 20 5 FDBDHL Nc1c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc(F)cc1[N+](=O)[O-] ZINC000739202873 600555052 /nfs/dbraw/zinc/55/50/52/600555052.db2.gz ANTHMWCPGMHIJA-UHFFFAOYSA-N -2 3 369.334 1.827 20 5 FDBDHL Cc1cccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1C(=O)[O-] ZINC000832972783 602310105 /nfs/dbraw/zinc/31/01/05/602310105.db2.gz MUCJNJWZJOLTQA-UHFFFAOYSA-N -2 3 352.328 1.302 20 5 FDBDHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000832492473 603130880 /nfs/dbraw/zinc/13/08/80/603130880.db2.gz VWVLISVHQYAJIJ-GZMMTYOYSA-N -2 3 361.351 1.449 20 5 FDBDHL C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776449790 604409811 /nfs/dbraw/zinc/40/98/11/604409811.db2.gz AOZUBZUVKYDNDA-ZCFIWIBFSA-N -2 3 367.177 1.356 20 5 FDBDHL CC(C)(C)n1cnc(=NC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)[n-]1 ZINC000459503489 838760676 /nfs/dbraw/zinc/76/06/76/838760676.db2.gz QHVKBLPZHZFNAY-UHFFFAOYSA-N -2 3 370.373 1.819 20 5 FDBDHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000788449845 932701244 /nfs/dbraw/zinc/70/12/44/932701244.db2.gz YGRUZIQNGMELKP-UPHRSURJSA-N -2 3 354.262 1.533 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])s1 ZINC001594329241 958203795 /nfs/dbraw/zinc/20/37/95/958203795.db2.gz XDKBITYIPPZJGF-SECBINFHSA-N -2 3 350.418 1.990 20 5 FDBDHL CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000863418868 972896748 /nfs/dbraw/zinc/89/67/48/972896748.db2.gz ILUXZHZZFTURIX-JTQLQIEISA-N -2 3 366.779 1.405 20 5 FDBDHL C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001592212521 977268316 /nfs/dbraw/zinc/26/83/16/977268316.db2.gz SADZBWXNWOGBGP-BIPIGHIPSA-N -2 3 368.289 1.921 20 5 FDBDHL CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000516930928 539331177 /nfs/dbraw/zinc/33/11/77/539331177.db2.gz FWVLNLXGYAIKRC-CMPLNLGQSA-N -2 3 372.399 1.775 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOCC2CCC2)c1 ZINC000521876158 539519678 /nfs/dbraw/zinc/51/96/78/539519678.db2.gz NNNBMITUCXQLMR-UHFFFAOYSA-N -2 3 358.372 1.388 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000274918532 181194720 /nfs/dbraw/zinc/19/47/20/181194720.db2.gz AILCDNLLKXVEDD-BDAKNGLRSA-N -2 3 360.775 1.864 20 5 FDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000274933538 181198823 /nfs/dbraw/zinc/19/88/23/181198823.db2.gz CVIHJOLDSFWGSP-DTWKUNHWSA-N -2 3 360.775 1.864 20 5 FDBDHL C[C@@H](CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000275059796 181227893 /nfs/dbraw/zinc/22/78/93/181227893.db2.gz YPADQPHJEBPTOL-VIFPVBQESA-N -2 3 374.371 1.145 20 5 FDBDHL C[C@H](CCC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000275059794 181228281 /nfs/dbraw/zinc/22/82/81/181228281.db2.gz YPADQPHJEBPTOL-SECBINFHSA-N -2 3 374.371 1.145 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000275190545 181257638 /nfs/dbraw/zinc/25/76/38/181257638.db2.gz FMTXPDOFPBZBJU-SSDOTTSWSA-N -2 3 374.268 1.726 20 5 FDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000275379798 181304125 /nfs/dbraw/zinc/30/41/25/181304125.db2.gz ZLYORPMABCFGPN-UHFFFAOYSA-N -2 3 350.780 1.946 20 5 FDBDHL C[C@@]1(c2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)NC(=O)[N-]C1=O ZINC000542802978 541474075 /nfs/dbraw/zinc/47/40/75/541474075.db2.gz FRSWKILMLMPLGG-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-] ZINC000548205004 542584983 /nfs/dbraw/zinc/58/49/83/542584983.db2.gz ZAGMJLFKUDWEDY-LBPRGKRZSA-N -2 3 372.380 1.769 20 5 FDBDHL O=C([O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000548540787 542696245 /nfs/dbraw/zinc/69/62/45/542696245.db2.gz DLFLBHNKZHBITP-CYBMUJFWSA-N -2 3 369.330 1.103 20 5 FDBDHL O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000548548898 542699593 /nfs/dbraw/zinc/69/95/93/542699593.db2.gz FEDOJAZXUPGUOG-JTQLQIEISA-N -2 3 356.381 1.631 20 5 FDBDHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000103059403 172358664 /nfs/dbraw/zinc/35/86/64/172358664.db2.gz HYIRCJFTTDFWED-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000103059403 172358667 /nfs/dbraw/zinc/35/86/67/172358667.db2.gz HYIRCJFTTDFWED-UHFFFAOYSA-N -2 3 360.355 1.884 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275202900 537541350 /nfs/dbraw/zinc/54/13/50/537541350.db2.gz OBLUJBLIQCHWGT-SECBINFHSA-N -2 3 360.388 1.771 20 5 FDBDHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000318745709 537611004 /nfs/dbraw/zinc/61/10/04/537611004.db2.gz IWVOIIRIQKOFMQ-MRVPVSSYSA-N -2 3 368.820 1.733 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000399625664 537794145 /nfs/dbraw/zinc/79/41/45/537794145.db2.gz DOYQWMIBCZHKKZ-RNCFNFMXSA-N -2 3 360.388 1.627 20 5 FDBDHL COCCC1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000563231348 546456573 /nfs/dbraw/zinc/45/65/73/546456573.db2.gz HKWGPARPITUUQG-UHFFFAOYSA-N -2 3 358.372 1.388 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c1[N+](=O)[O-] ZINC000572335637 549891908 /nfs/dbraw/zinc/89/19/08/549891908.db2.gz SDTZMUOSALCWRC-NSHDSACASA-N -2 3 368.371 1.049 20 5 FDBDHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000574045371 550251574 /nfs/dbraw/zinc/25/15/74/550251574.db2.gz QDGHAYLKGNQNAV-MWLCHTKSSA-N -2 3 369.399 1.197 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000574456415 550316750 /nfs/dbraw/zinc/31/67/50/550316750.db2.gz UGVPVNFIPBKWOL-RYUDHWBXSA-N -2 3 372.399 1.370 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000575865652 550484680 /nfs/dbraw/zinc/48/46/80/550484680.db2.gz MIXIPHVIDZZOFB-AWEZNQCLSA-N -2 3 360.388 1.771 20 5 FDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3OCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000575926769 550491725 /nfs/dbraw/zinc/49/17/25/550491725.db2.gz ITTXIKLJPSFYOX-HOSYDEDBSA-N -2 3 356.356 1.139 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000581203397 551063612 /nfs/dbraw/zinc/06/36/12/551063612.db2.gz UWYHUXUYMQVELD-SDBXPKJASA-N -2 3 358.372 1.381 20 5 FDBDHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000588861223 551694350 /nfs/dbraw/zinc/69/43/50/551694350.db2.gz JZNUJPHJYZWPCW-ZJUUUORDSA-N -2 3 374.353 1.794 20 5 FDBDHL CC(C)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594673223 552353162 /nfs/dbraw/zinc/35/31/62/552353162.db2.gz LURGMZCBWKBRHZ-UHFFFAOYSA-N -2 3 353.356 1.532 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)cc1C ZINC000596027631 552646428 /nfs/dbraw/zinc/64/64/28/552646428.db2.gz SZINGUKITMCDGY-GFCCVEGCSA-N -2 3 356.400 1.991 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000619470636 555782329 /nfs/dbraw/zinc/78/23/29/555782329.db2.gz YERJYDNCFXFFHJ-LLVKDONJSA-N -2 3 372.380 1.769 20 5 FDBDHL Cn1c2cc([O-])c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000436619862 568061215 /nfs/dbraw/zinc/06/12/15/568061215.db2.gz QUWCPISJUYGWHQ-UHFFFAOYSA-N -2 3 358.310 1.449 20 5 FDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000823644279 607328375 /nfs/dbraw/zinc/32/83/75/607328375.db2.gz JHHFWBAITZPDIB-UHFFFAOYSA-N -2 3 370.347 1.776 20 5 FDBDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)NN=c1[n-]cccc1[N+](=O)[O-] ZINC000763291763 602309218 /nfs/dbraw/zinc/30/92/18/602309218.db2.gz XVZYCGVRWLTUBI-UHFFFAOYSA-N -2 3 352.328 1.302 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c[nH]c2=O)c([N+](=O)[O-])c1 ZINC000833734794 604803878 /nfs/dbraw/zinc/80/38/78/604803878.db2.gz XDBYIQYCIUHHJA-UHFFFAOYSA-N -2 3 369.311 1.203 20 5 FDBDHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000834149493 605805899 /nfs/dbraw/zinc/80/58/99/605805899.db2.gz GVNDWEYXMPAURS-VIFPVBQESA-N -2 3 363.779 1.573 20 5 FDBDHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826440385 609501378 /nfs/dbraw/zinc/50/13/78/609501378.db2.gz KZFROVBXIVYQJY-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826440385 609501379 /nfs/dbraw/zinc/50/13/79/609501379.db2.gz KZFROVBXIVYQJY-UHFFFAOYSA-N -2 3 358.289 1.550 20 5 FDBDHL CC[C@](COC)([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(=O)[O-] ZINC001595200200 979947345 /nfs/dbraw/zinc/94/73/45/979947345.db2.gz VHTRGMCGWCAAGG-LLVKDONJSA-N -2 3 352.390 1.123 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000530367746 539953028 /nfs/dbraw/zinc/95/30/28/539953028.db2.gz QQOBZBRIOXCQGF-LLVKDONJSA-N -2 3 358.372 1.525 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275118022 181243375 /nfs/dbraw/zinc/24/33/75/181243375.db2.gz SUBDGYJMSRRHTA-VIFPVBQESA-N -2 3 364.401 1.088 20 5 FDBDHL CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[n-]c(SCCO)n2)c1 ZINC000283293561 182150169 /nfs/dbraw/zinc/15/01/69/182150169.db2.gz OLYIFEXWZROCDU-UHFFFAOYSA-N -2 3 353.360 1.448 20 5 FDBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000297232060 184248452 /nfs/dbraw/zinc/24/84/52/184248452.db2.gz PAOAPFDLUDJQSV-SECBINFHSA-N -2 3 374.371 1.288 20 5 FDBDHL O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000548545538 542698390 /nfs/dbraw/zinc/69/83/90/542698390.db2.gz YUEVAECFLYFELU-LBPRGKRZSA-N -2 3 369.330 1.103 20 5 FDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000548589270 542711874 /nfs/dbraw/zinc/71/18/74/542711874.db2.gz JPFOYFICHSPQBO-CYBMUJFWSA-N -2 3 372.305 1.977 20 5 FDBDHL COc1c(F)cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000551912302 543374490 /nfs/dbraw/zinc/37/44/90/543374490.db2.gz VONMBZVTMLPLJC-UHFFFAOYSA-N -2 3 362.335 1.276 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)cc1C ZINC000558273157 544407022 /nfs/dbraw/zinc/40/70/22/544407022.db2.gz JKERKECWPFESLS-VIFPVBQESA-N -2 3 366.342 1.846 20 5 FDBDHL CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000028259440 519229655 /nfs/dbraw/zinc/22/96/55/519229655.db2.gz RCCXPBVHIIPCJV-UHFFFAOYSA-N -2 3 365.367 1.390 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000325554356 537626771 /nfs/dbraw/zinc/62/67/71/537626771.db2.gz ISYFGVATBCWOHJ-OCCSQVGLSA-N -2 3 358.372 1.525 20 5 FDBDHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000414331583 537783139 /nfs/dbraw/zinc/78/31/39/537783139.db2.gz DENUPZSPFNVOMA-LBPRGKRZSA-N -2 3 360.388 1.632 20 5 FDBDHL CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1(C)C ZINC000565060420 547181336 /nfs/dbraw/zinc/18/13/36/547181336.db2.gz BCFNVJSAXKKTAS-XHDPSFHLSA-N -2 3 372.399 1.775 20 5 FDBDHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CN1C1CC1 ZINC000574045372 550251562 /nfs/dbraw/zinc/25/15/62/550251562.db2.gz QDGHAYLKGNQNAV-ONGXEEELSA-N -2 3 369.399 1.197 20 5 FDBDHL C[C@H]1CC([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C)O1 ZINC000582184592 551187970 /nfs/dbraw/zinc/18/79/70/551187970.db2.gz FNXLXKQKYVRWGI-IUCAKERBSA-N -2 3 358.372 1.527 20 5 FDBDHL COCC1(CC[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000583503572 551362248 /nfs/dbraw/zinc/36/22/48/551362248.db2.gz HORUEQOEHIYLBS-UHFFFAOYSA-N -2 3 358.372 1.388 20 5 FDBDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c[n-]1 ZINC000585730963 551589320 /nfs/dbraw/zinc/58/93/20/551589320.db2.gz SFBNECYJFCNEOA-UHFFFAOYSA-N -2 3 370.343 1.304 20 5 FDBDHL C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000588862242 551694811 /nfs/dbraw/zinc/69/48/11/551694811.db2.gz OQKWSPJYFGMSCR-NXEZZACHSA-N -2 3 374.353 1.794 20 5 FDBDHL CC1(C)[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000593316139 552088429 /nfs/dbraw/zinc/08/84/29/552088429.db2.gz KVEGHVYDLCMFJP-OASPWFOLSA-N -2 3 370.383 1.385 20 5 FDBDHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000594680754 552354537 /nfs/dbraw/zinc/35/45/37/552354537.db2.gz NGQNMZCBLOMDLL-SECBINFHSA-N -2 3 365.367 1.675 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000594721683 552363835 /nfs/dbraw/zinc/36/38/35/552363835.db2.gz YCPYSNZOAQJXOY-LBPRGKRZSA-N -2 3 350.324 1.085 20 5 FDBDHL O=c1[n-]ccc(Sc2n[n-]c(=NC[C@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC000596068677 552652218 /nfs/dbraw/zinc/65/22/18/552652218.db2.gz XZNBBMDZLPNSSJ-SSDOTTSWSA-N -2 3 355.401 2.289 20 5 FDBDHL C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000736040091 598883324 /nfs/dbraw/zinc/88/33/24/598883324.db2.gz LZVKETFHEYKLMI-SECBINFHSA-N -2 3 358.314 1.727 20 5 FDBDHL C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000736040091 598883326 /nfs/dbraw/zinc/88/33/26/598883326.db2.gz LZVKETFHEYKLMI-SECBINFHSA-N -2 3 358.314 1.727 20 5 FDBDHL CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 ZINC000738175793 600187818 /nfs/dbraw/zinc/18/78/18/600187818.db2.gz NYYNHBZCMCKXCK-UHFFFAOYSA-N -2 3 354.296 1.542 20 5 FDBDHL C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820397105 606646054 /nfs/dbraw/zinc/64/60/54/606646054.db2.gz LWRUJVLIMNEGBQ-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820397105 606646055 /nfs/dbraw/zinc/64/60/55/606646055.db2.gz LWRUJVLIMNEGBQ-VIFPVBQESA-N -2 3 354.326 1.972 20 5 FDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(O)c2)c1-c1nnn[n-]1 ZINC000826500365 608095351 /nfs/dbraw/zinc/09/53/51/608095351.db2.gz VUQIPUYOSYSEAT-UHFFFAOYSA-N -2 3 362.327 1.281 20 5 FDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000508220947 688716772 /nfs/dbraw/zinc/71/67/72/688716772.db2.gz PMYYQJJOMOQPAC-UHFFFAOYSA-N -2 3 366.355 1.900 20 5 FDBDHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000788449562 932702092 /nfs/dbraw/zinc/70/20/92/932702092.db2.gz WPLSPMYYLUPJGY-UPHRSURJSA-N -2 3 365.161 1.276 20 5 FDBDHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c([N+](=O)[O-])s1 ZINC001605219871 972968259 /nfs/dbraw/zinc/96/82/59/972968259.db2.gz QLGCLZMWKRWQJH-UHFFFAOYSA-N -2 3 364.401 1.124 20 5 FDBDHL CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000274885446 181186256 /nfs/dbraw/zinc/18/62/56/181186256.db2.gz DVHWAANJVAJLJR-QMMMGPOBSA-N -2 3 356.278 1.755 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000274918539 181194882 /nfs/dbraw/zinc/19/48/82/181194882.db2.gz AILCDNLLKXVEDD-IUCAKERBSA-N -2 3 360.775 1.864 20 5 FDBDHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275021512 181219968 /nfs/dbraw/zinc/21/99/68/181219968.db2.gz OUVRUXVWWIVHGR-SECBINFHSA-N -2 3 374.371 1.144 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000275051970 181226042 /nfs/dbraw/zinc/22/60/42/181226042.db2.gz SLBZKLMCZHJSAU-GFCCVEGCSA-N -2 3 360.388 1.771 20 5 FDBDHL O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000535517469 540479157 /nfs/dbraw/zinc/47/91/57/540479157.db2.gz YVVLYBFQRLNCPU-UHFFFAOYSA-N -2 3 357.369 1.279 20 5 FDBDHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1[N+](=O)[O-] ZINC000537650457 540756024 /nfs/dbraw/zinc/75/60/24/540756024.db2.gz DVVDJBKFUSLXMB-UHFFFAOYSA-N -2 3 361.335 1.588 20 5 FDBDHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000539970652 541014545 /nfs/dbraw/zinc/01/45/45/541014545.db2.gz HZJDOFMQZNBADP-UHFFFAOYSA-N -2 3 351.340 1.924 20 5 FDBDHL C[C@]1(c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)NC(=O)[N-]C1=O ZINC000542610561 541433443 /nfs/dbraw/zinc/43/34/43/541433443.db2.gz FDDUONWBNYDHQM-QGZVFWFLSA-N -2 3 370.321 1.607 20 5 FDBDHL CCOC(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[n-]1 ZINC000545184489 541895690 /nfs/dbraw/zinc/89/56/90/541895690.db2.gz FJAZTWGHMJSOBW-UHFFFAOYSA-N -2 3 368.371 1.479 20 5 FDBDHL C[C@]1(c2cccc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c2)NC(=O)[N-]C1=O ZINC000545651626 542006434 /nfs/dbraw/zinc/00/64/34/542006434.db2.gz VMSWXDGREHHHDB-MRXNPFEDSA-N -2 3 368.309 1.695 20 5 FDBDHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000547907359 542484145 /nfs/dbraw/zinc/48/41/45/542484145.db2.gz MEVFGTZKWHZHCH-MRVPVSSYSA-N -2 3 350.374 1.065 20 5 FDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC000547939122 542494499 /nfs/dbraw/zinc/49/44/99/542494499.db2.gz YFAGAIABXBFKEU-LBPRGKRZSA-N -2 3 372.399 1.451 20 5 FDBDHL Cc1sc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)cc1[N+](=O)[O-] ZINC000548215255 542588845 /nfs/dbraw/zinc/58/88/45/542588845.db2.gz AKXULJVHJWGPCL-UHFFFAOYSA-N -2 3 371.396 1.845 20 5 FDBDHL CSCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000548533476 542693488 /nfs/dbraw/zinc/69/34/88/542693488.db2.gz JKXYOJAZGUYEIA-SSDOTTSWSA-N -2 3 354.431 1.449 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c1C ZINC000548588568 542712293 /nfs/dbraw/zinc/71/22/93/542712293.db2.gz QTBYLPPDYFILHR-GFCCVEGCSA-N -2 3 368.367 1.779 20 5 FDBDHL Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000509742047 490459462 /nfs/dbraw/zinc/45/94/62/490459462.db2.gz HGHBCJCPLJOCKX-UHFFFAOYSA-N -2 3 357.373 1.379 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000326639709 537629543 /nfs/dbraw/zinc/62/95/43/537629543.db2.gz VVHLCAMOHDZLMP-CQSZACIVSA-N -2 3 366.351 1.708 20 5 FDBDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1 ZINC000392137947 537775338 /nfs/dbraw/zinc/77/53/38/537775338.db2.gz DTEGYJPIOAAXJK-UHFFFAOYSA-N -3 3 356.287 1.939 20 5 FDBDHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000562736944 546248532 /nfs/dbraw/zinc/24/85/32/546248532.db2.gz JWYWTUWTMXMMDE-ZCFIWIBFSA-N -2 3 356.278 1.755 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000574456413 550316969 /nfs/dbraw/zinc/31/69/69/550316969.db2.gz UGVPVNFIPBKWOL-NWDGAFQWSA-N -2 3 372.399 1.370 20 5 FDBDHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000582848811 551273713 /nfs/dbraw/zinc/27/37/13/551273713.db2.gz OWJIQPODBPKVKD-VHSXEESVSA-N -2 3 358.372 1.386 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCCOC2)c1C ZINC000583559754 551369258 /nfs/dbraw/zinc/36/92/58/551369258.db2.gz IZLFUNGODWKRMG-YPMHNXCESA-N -2 3 372.399 1.370 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC000591350107 551864554 /nfs/dbraw/zinc/86/45/54/551864554.db2.gz PSPNDKVPYCLXTB-UHFFFAOYSA-N -2 3 358.372 1.669 20 5 FDBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(=O)[O-] ZINC000594671582 552352141 /nfs/dbraw/zinc/35/21/41/552352141.db2.gz WZMXRMVDCPJKOT-SNVBAGLBSA-N -2 3 367.383 1.922 20 5 FDBDHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594673681 552353482 /nfs/dbraw/zinc/35/34/82/552353482.db2.gz SNVKZMVMJVAXJF-LBPRGKRZSA-N -2 3 367.383 1.921 20 5 FDBDHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594673659 552353556 /nfs/dbraw/zinc/35/35/56/552353556.db2.gz SICKELVKLCXYCS-VIFPVBQESA-N -2 3 353.356 1.675 20 5 FDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000594720960 552363358 /nfs/dbraw/zinc/36/33/58/552363358.db2.gz RGNISLHOMDTFKC-LBPRGKRZSA-N -2 3 350.324 1.085 20 5 FDBDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)n2)ccc1[O-] ZINC000436674788 568286318 /nfs/dbraw/zinc/28/63/18/568286318.db2.gz SPBIRUYEZIIDMG-UHFFFAOYSA-N -2 3 367.339 1.591 20 5 FDBDHL O=C([N-]c1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cnsn1 ZINC000826450900 607523601 /nfs/dbraw/zinc/52/36/01/607523601.db2.gz IGTWOFRDHWQTMP-UHFFFAOYSA-N -2 3 352.723 1.532 20 5 FDBDHL C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000760101514 602173565 /nfs/dbraw/zinc/17/35/65/602173565.db2.gz FPMKFCPBFFNOPP-RXMQYKEDSA-N -2 3 353.150 1.109 20 5 FDBDHL CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000826561317 603478341 /nfs/dbraw/zinc/47/83/41/603478341.db2.gz UHNXOSIGSOTZHR-UHFFFAOYSA-N -2 3 363.367 1.839 20 5 FDBDHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000823216033 607209895 /nfs/dbraw/zinc/20/98/95/607209895.db2.gz WKMGLEDDHDFROV-UHFFFAOYSA-N -2 3 370.325 1.289 20 5 FDBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1[O-] ZINC000436156608 681670856 /nfs/dbraw/zinc/67/08/56/681670856.db2.gz SIDXXQNEEOCUGK-UHFFFAOYSA-N -2 3 366.351 1.879 20 5 FDBDHL CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000497945876 687731123 /nfs/dbraw/zinc/73/11/23/687731123.db2.gz FGSAAEOHERXRFE-UHFFFAOYSA-N -2 3 365.367 1.737 20 5 FDBDHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436775780 816710179 /nfs/dbraw/zinc/71/01/79/816710179.db2.gz RLPZWNNMFBKIFY-UHFFFAOYSA-N -2 3 371.349 1.604 20 5 FDBDHL CC[C@@](COC)([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(=O)[O-] ZINC001595200205 979947526 /nfs/dbraw/zinc/94/75/26/979947526.db2.gz VHTRGMCGWCAAGG-NSHDSACASA-N -2 3 352.390 1.123 20 5 FDBDHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000517025451 539343134 /nfs/dbraw/zinc/34/31/34/539343134.db2.gz SPPRLOVRJSWYHC-FKQCQYRASA-N -2 3 368.289 1.755 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000275231462 181265821 /nfs/dbraw/zinc/26/58/21/181265821.db2.gz JJAJUBGNDMFMNB-SSDOTTSWSA-N -2 3 372.277 1.287 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/nfs/dbraw/zinc/48/16/51/542481651.db2.gz FWIRYEFTFMRUJQ-LLVKDONJSA-N -2 3 371.396 1.334 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c1C ZINC000548533526 542693611 /nfs/dbraw/zinc/69/36/11/542693611.db2.gz JMMAWIHFCUXWAM-LBPRGKRZSA-N -2 3 368.371 1.049 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC1CCCC1)C(=O)[O-] ZINC000548548337 542698969 /nfs/dbraw/zinc/69/89/69/542698969.db2.gz IIYQWTHJAWSQKH-LBPRGKRZSA-N -2 3 372.399 1.915 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000325870246 537627507 /nfs/dbraw/zinc/62/75/07/537627507.db2.gz KURQGMMXBTYDQK-LBPRGKRZSA-N -2 3 372.380 1.769 20 5 FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000387911632 537764597 /nfs/dbraw/zinc/76/45/97/537764597.db2.gz IUUNJUMFDYZOOM-ZYHUDNBSSA-N -2 3 372.399 1.915 20 5 FDBDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000391842574 537773795 /nfs/dbraw/zinc/77/37/95/537773795.db2.gz WSHYFEAHPCMYFS-UHFFFAOYSA-N -3 3 356.287 1.939 20 5 FDBDHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC(F)(F)F)ccc1[N+](=O)[O-] ZINC000563625481 546621747 /nfs/dbraw/zinc/62/17/47/546621747.db2.gz NAAOVCROTDPROB-UHFFFAOYSA-N -2 3 358.250 1.108 20 5 FDBDHL CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])C1(C)C ZINC000565060419 547181965 /nfs/dbraw/zinc/18/19/65/547181965.db2.gz BCFNVJSAXKKTAS-NHYWBVRUSA-N -2 3 372.399 1.775 20 5 FDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c1[N+](=O)[O-] ZINC000565366203 547321566 /nfs/dbraw/zinc/32/15/66/547321566.db2.gz BDSFWIZTLOYORF-UHFFFAOYSA-N -2 3 350.299 1.617 20 5 FDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1C ZINC000568741230 548660082 /nfs/dbraw/zinc/66/00/82/548660082.db2.gz POPXPKSRIDNFKG-RISCZKNCSA-N -2 3 372.399 1.370 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000571885931 549791892 /nfs/dbraw/zinc/79/18/92/549791892.db2.gz BJAFDJJHQSNBID-DMDPSCGWSA-N -2 3 370.383 1.529 20 5 FDBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000572702256 549974638 /nfs/dbraw/zinc/97/46/38/549974638.db2.gz TWNRTTNDEQMDEP-UHFFFAOYSA-N -2 3 368.289 1.757 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000576935926 550601818 /nfs/dbraw/zinc/60/18/18/550601818.db2.gz IEFYHHXCGLUALX-PWSUYJOCSA-N -2 3 358.372 1.061 20 5 FDBDHL CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000583385221 551343809 /nfs/dbraw/zinc/34/38/09/551343809.db2.gz XIYBCEKZHHEGOO-GHMZBOCLSA-N -2 3 358.372 1.529 20 5 FDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(=O)[O-])CCSCC1 ZINC000583497915 551361000 /nfs/dbraw/zinc/36/10/00/551361000.db2.gz OMFYCCJNRMFUBZ-UHFFFAOYSA-N -2 3 360.413 1.532 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000619470172 555782472 /nfs/dbraw/zinc/78/24/72/555782472.db2.gz QEOAQMPVCMZBLU-CYBMUJFWSA-N -2 3 366.351 1.708 20 5 FDBDHL 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FDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000325554357 537626457 /nfs/dbraw/zinc/62/64/57/537626457.db2.gz ISYFGVATBCWOHJ-TZMCWYRMSA-N -2 3 358.372 1.525 20 5 FDBDHL COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000326798749 537631434 /nfs/dbraw/zinc/63/14/34/537631434.db2.gz BRNOKTFERGYQFU-ZFWWWQNUSA-N -2 3 372.399 1.915 20 5 FDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCOCC2CC2)c1 ZINC000414320063 537778498 /nfs/dbraw/zinc/77/84/98/537778498.db2.gz PDBDNXSRGGZJRZ-UHFFFAOYSA-N -2 3 358.372 1.388 20 5 FDBDHL COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569368097 548894475 /nfs/dbraw/zinc/89/44/75/548894475.db2.gz ZMWDEUVTKDCTJW-SNVBAGLBSA-N -2 3 374.371 1.159 20 5 FDBDHL CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CCO1 ZINC000573730182 550202083 /nfs/dbraw/zinc/20/20/83/550202083.db2.gz WLAYSICZURZESX-ZJUUUORDSA-N -2 3 358.372 1.529 20 5 FDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c1[N+](=O)[O-] ZINC000574456417 550316853 /nfs/dbraw/zinc/31/68/53/550316853.db2.gz UGVPVNFIPBKWOL-VXGBXAGGSA-N -2 3 372.399 1.370 20 5 FDBDHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000581523820 551099373 /nfs/dbraw/zinc/09/93/73/551099373.db2.gz AQWBYMRPOPRFGE-NSHDSACASA-N -2 3 365.367 1.212 20 5 FDBDHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000582848812 551273649 /nfs/dbraw/zinc/27/36/49/551273649.db2.gz OWJIQPODBPKVKD-ZJUUUORDSA-N -2 3 358.372 1.386 20 5 FDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCOC2)c1C ZINC000583559751 551369244 /nfs/dbraw/zinc/36/92/44/551369244.db2.gz IZLFUNGODWKRMG-AAEUAGOBSA-N -2 3 372.399 1.370 20 5 FDBDHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000594671726 552352009 /nfs/dbraw/zinc/35/20/09/552352009.db2.gz YFFHBYIJYJXYCE-HNNXBMFYSA-N -2 3 367.383 1.922 20 5 FDBDHL CCn1cnc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600666636 553296519 /nfs/dbraw/zinc/29/65/19/553296519.db2.gz ZOSZXMAQHARXSI-AWEZNQCLSA-N -2 3 368.371 1.090 20 5 FDBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000619470058 555782478 /nfs/dbraw/zinc/78/24/78/555782478.db2.gz DGAHSZFCUHAJOR-LLVKDONJSA-N -2 3 372.380 1.769 20 5 FDBDHL C[C@@]1(c2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)NC(=O)[N-]C1=O ZINC000436635211 568182187 /nfs/dbraw/zinc/18/21/87/568182187.db2.gz KTVIKUXLBWLLGU-KRWDZBQOSA-N -2 3 370.321 1.607 20 5 FDBDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822130514 599231197 /nfs/dbraw/zinc/23/11/97/599231197.db2.gz UMXFDFVMVMBKKA-UHFFFAOYSA-N -2 3 361.343 1.279 20 5 FDBDHL O=C([O-])CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000760103762 597131643 /nfs/dbraw/zinc/13/16/43/597131643.db2.gz IJRDIFDKYYZTAL-UHFFFAOYSA-N -2 3 353.150 1.110 20 5 FDBDHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)[O-] ZINC000738794722 602787382 /nfs/dbraw/zinc/78/73/82/602787382.db2.gz RHDDCXJHJZPPHY-SECBINFHSA-N -2 3 365.795 1.819 20 5 FDBDHL O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)[nH]1 ZINC000832729549 605439937 /nfs/dbraw/zinc/43/99/37/605439937.db2.gz FRBVYUHQWHXOGV-UHFFFAOYSA-N -2 3 371.313 1.728 20 5 FDBDHL O=C([O-])NCc1n[nH]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000832729549 605439941 /nfs/dbraw/zinc/43/99/41/605439941.db2.gz FRBVYUHQWHXOGV-UHFFFAOYSA-N -2 3 371.313 1.728 20 5 FDBDHL Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(N)=O)cc1 ZINC000499176023 687916055 /nfs/dbraw/zinc/91/60/55/687916055.db2.gz NUSOYRGAJLOKFN-UHFFFAOYSA-N -2 3 365.367 1.437 20 5 FDBDHL