smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302230028 971213508 /nfs/dbraw/zinc/21/35/08/971213508.db2.gz YBLOXILOGVLQID-UHFFFAOYSA-N 0 2 408.443 3.707 20 5 HHBDLN O=[N+]([O-])c1cc(Br)ccc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000302253858 971218658 /nfs/dbraw/zinc/21/86/58/971218658.db2.gz NXHYWFNEZORFFV-UHFFFAOYSA-N 0 2 404.224 3.667 20 5 HHBDLN Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)c(Br)cc1[N+](=O)[O-] ZINC000302630561 971266577 /nfs/dbraw/zinc/26/65/77/971266577.db2.gz BTSRGZJAYKGSKV-UHFFFAOYSA-N 0 2 418.251 3.975 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1C ZINC000524297353 1013107924 /nfs/dbraw/zinc/10/79/24/1013107924.db2.gz SMWWTYIYGAIOOO-UHFFFAOYSA-N 0 2 409.489 3.624 20 5 HHBDLN CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537769032 1013332100 /nfs/dbraw/zinc/33/21/00/1013332100.db2.gz BHZOVCDKXUKGTP-JOCHJYFZSA-N 0 2 421.453 3.776 20 5 HHBDLN O=C1c2ccccc2N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 ZINC000024034851 963928053 /nfs/dbraw/zinc/92/80/53/963928053.db2.gz RHKUKKNGPNDBEO-HXUWFJFHSA-N 0 2 405.366 3.800 20 5 HHBDLN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000055584945 965939695 /nfs/dbraw/zinc/93/96/95/965939695.db2.gz BIOSWAKXNFQGAG-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1C ZINC000060442349 966145333 /nfs/dbraw/zinc/14/53/33/966145333.db2.gz PSOWLANYKSIFGP-UHFFFAOYSA-N 0 2 406.464 3.542 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1 ZINC000542728892 1013641101 /nfs/dbraw/zinc/64/11/01/1013641101.db2.gz OHWZRONAISLLBL-OAHLLOKOSA-N 0 2 424.450 3.709 20 5 HHBDLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000409645046 973095887 /nfs/dbraw/zinc/09/58/87/973095887.db2.gz MUBBXCMHVDWSBD-UHFFFAOYSA-N 0 2 422.413 3.535 20 5 HHBDLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2C1 ZINC000409670038 973130774 /nfs/dbraw/zinc/13/07/74/973130774.db2.gz WQCGWHJNBRUXMP-NSHDSACASA-N 0 2 411.505 3.766 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)s2)c(C)c1 ZINC000431328305 978213427 /nfs/dbraw/zinc/21/34/27/978213427.db2.gz MHAOVQDADWFLFB-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000431329634 978215197 /nfs/dbraw/zinc/21/51/97/978215197.db2.gz SEZOVGAYYVJWIY-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000431334106 978218668 /nfs/dbraw/zinc/21/86/68/978218668.db2.gz VHMRSSUTODNGLF-UHFFFAOYSA-N 0 2 424.438 3.743 20 5 HHBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000436711192 981525016 /nfs/dbraw/zinc/52/50/16/981525016.db2.gz FCTYGJNOYBYJIO-UHFFFAOYSA-N 0 2 421.335 3.520 20 5 HHBDLN O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000436963572 981651051 /nfs/dbraw/zinc/65/10/51/981651051.db2.gz ZTWJFISWGZFMLT-IBGZPJMESA-N 0 2 418.409 3.596 20 5 HHBDLN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436998241 981676073 /nfs/dbraw/zinc/67/60/73/981676073.db2.gz IMIUOXKBHFZSDB-UHFFFAOYSA-N 0 2 417.487 3.519 20 5 HHBDLN CN(Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)c1cccs1 ZINC000437002045 981678457 /nfs/dbraw/zinc/67/84/57/981678457.db2.gz SEDSCSMCEHFTQY-UHFFFAOYSA-N 0 2 411.439 3.886 20 5 HHBDLN Cc1cc(Cl)cnc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000461210998 982924777 /nfs/dbraw/zinc/92/47/77/982924777.db2.gz JEAATRZQEMCMTB-UHFFFAOYSA-N 0 2 420.672 3.823 20 5 HHBDLN CC[C@@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000462345270 985334788 /nfs/dbraw/zinc/33/47/88/985334788.db2.gz GIQMSWAHKQRIRS-CYBMUJFWSA-N 0 2 410.304 3.962 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443526538 985697915 /nfs/dbraw/zinc/69/79/15/985697915.db2.gz CTDRONSMNJHRJJ-UHFFFAOYSA-N 0 2 408.329 3.866 20 5 HHBDLN CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000443949053 986156679 /nfs/dbraw/zinc/15/66/79/986156679.db2.gz WJHYZMPDCVYQAZ-RDDDGLTNSA-N 0 2 408.320 3.869 20 5 HHBDLN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463524771 986501144 /nfs/dbraw/zinc/50/11/44/986501144.db2.gz RRVSAWJZTMSBSE-UHFFFAOYSA-N 0 2 414.443 3.601 20 5 HHBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1OC(C)C ZINC000463787732 986779003 /nfs/dbraw/zinc/77/90/03/986779003.db2.gz OQVCBEMEHGNYIS-UHFFFAOYSA-N 0 2 417.443 3.740 20 5 HHBDLN CCOCCOCc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000467081792 992387497 /nfs/dbraw/zinc/38/74/97/992387497.db2.gz NPUUYHOPWAEUIK-UHFFFAOYSA-N 0 2 408.476 3.566 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)NCc3ccc([N+](=O)[O-])cc3Cl)s[nH]2)c1 ZINC000467461431 992754615 /nfs/dbraw/zinc/75/46/15/992754615.db2.gz YBQMSWLMGJGRLE-UHFFFAOYSA-N 0 2 419.850 3.519 20 5 HHBDLN CC(C)(C)c1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000474594674 995553043 /nfs/dbraw/zinc/55/30/43/995553043.db2.gz ORLZBNAOKPMZJK-UHFFFAOYSA-N 0 2 409.446 3.519 20 5 HHBDLN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483431523 996174984 /nfs/dbraw/zinc/17/49/84/996174984.db2.gz BLWGYGPSQCWLON-HNNXBMFYSA-N 0 2 405.838 3.737 20 5 HHBDLN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cnn1-c1ccc(Cl)cc1 ZINC000476296537 996737549 /nfs/dbraw/zinc/73/75/49/996737549.db2.gz VITPDDXXMRZRDN-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN CN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000484858647 997222469 /nfs/dbraw/zinc/22/24/69/997222469.db2.gz URWCZNCSZUUSJH-GTNSWQLSSA-N 0 2 424.240 3.765 20 5 HHBDLN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000485090214 997463775 /nfs/dbraw/zinc/46/37/75/997463775.db2.gz HGSVXFHEROUJHH-UHFFFAOYSA-N 0 2 415.369 3.564 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000485605865 998053067 /nfs/dbraw/zinc/05/30/67/998053067.db2.gz AQAKZMSMXBLSLM-UHFFFAOYSA-N 0 2 423.376 3.876 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486007329 998450958 /nfs/dbraw/zinc/45/09/58/998450958.db2.gz TVPABLSFSQLQNM-UHFFFAOYSA-N 0 2 419.242 3.797 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)c3cccc(SC)c3[N+](=O)[O-])s[nH]2)c1 ZINC000486193658 998634793 /nfs/dbraw/zinc/63/47/93/998634793.db2.gz NIVPSJGKIFCNBQ-UHFFFAOYSA-N 0 2 402.457 3.518 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000488256647 999412487 /nfs/dbraw/zinc/41/24/87/999412487.db2.gz ADJRLQHVRZZLEU-UHFFFAOYSA-N 0 2 410.423 3.865 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Br ZINC000488350008 999452522 /nfs/dbraw/zinc/45/25/22/999452522.db2.gz PHIQEHJUVUHIJT-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)ccc1[N+](=O)[O-] ZINC000479551482 999473736 /nfs/dbraw/zinc/47/37/36/999473736.db2.gz DIFSKOJZVGNCJZ-UHFFFAOYSA-N 0 2 409.370 3.854 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] ZINC000479998164 999680475 /nfs/dbraw/zinc/68/04/75/999680475.db2.gz XMJBCZKSBIRFSC-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1[N+](=O)[O-] ZINC000480236855 999753128 /nfs/dbraw/zinc/75/31/28/999753128.db2.gz WMTUBTLMHCUNRA-KRWDZBQOSA-N 0 2 406.460 3.570 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1csc(Cc2ccc(F)cc2)n1 ZINC000490368330 999945952 /nfs/dbraw/zinc/94/59/52/999945952.db2.gz PDEDABKBXYOPRX-UHFFFAOYSA-N 0 2 424.417 3.819 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000505314019 1000695174 /nfs/dbraw/zinc/69/51/74/1000695174.db2.gz WWNIXNJMIFAERV-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000496032118 1001115550 /nfs/dbraw/zinc/11/55/50/1001115550.db2.gz HDXKCHKCMPRCHM-UHFFFAOYSA-N 0 2 421.804 3.743 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000497499080 1001403612 /nfs/dbraw/zinc/40/36/12/1001403612.db2.gz LMYXMQMDUSQLSU-MRXNPFEDSA-N 0 2 415.204 3.960 20 5 HHBDLN CCCc1noc2nc(CC)cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c12 ZINC000507041129 1001777509 /nfs/dbraw/zinc/77/75/09/1001777509.db2.gz WEGOUKSGXWBWOH-UHFFFAOYSA-N 0 2 421.417 3.683 20 5 HHBDLN CC1(C)CC(=O)c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2O1 ZINC000507563955 1002169553 /nfs/dbraw/zinc/16/95/53/1002169553.db2.gz HBPJIDAVPHMKDG-UHFFFAOYSA-N 0 2 410.835 3.793 20 5 HHBDLN COc1cc(C(=O)Nc2cc(Cl)cc(Br)c2O)ccc1[N+](=O)[O-] ZINC000531371752 1006156747 /nfs/dbraw/zinc/15/67/47/1006156747.db2.gz FTOCHKOSINDGHQ-UHFFFAOYSA-N 0 2 401.600 3.977 20 5 HHBDLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000534943708 1006985126 /nfs/dbraw/zinc/98/51/26/1006985126.db2.gz IZAXBFAXDSQUKQ-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1 ZINC000532610855 1007038731 /nfs/dbraw/zinc/03/87/31/1007038731.db2.gz HWKAQYULBYDWRL-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000516374860 1007049123 /nfs/dbraw/zinc/04/91/23/1007049123.db2.gz AYCLNAGIYOHRNN-UHFFFAOYSA-N 0 2 423.450 3.599 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000538871070 1007149839 /nfs/dbraw/zinc/14/98/39/1007149839.db2.gz MDNILECHXVHARK-QGZVFWFLSA-N 0 2 405.819 3.521 20 5 HHBDLN CCOc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1OCC ZINC000539553409 1007866483 /nfs/dbraw/zinc/86/64/83/1007866483.db2.gz MEHFUSDIZPVHMF-UHFFFAOYSA-N 0 2 417.443 3.741 20 5 HHBDLN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539971390 1008214055 /nfs/dbraw/zinc/21/40/55/1008214055.db2.gz SZYMGXASJVQWSB-UHFFFAOYSA-N 0 2 400.416 3.845 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000518788213 1008420720 /nfs/dbraw/zinc/42/07/20/1008420720.db2.gz VCEXEMVJELJGPW-UHFFFAOYSA-N 0 2 415.481 3.973 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1cc(C)ccn1 ZINC000545472320 1008579366 /nfs/dbraw/zinc/57/93/66/1008579366.db2.gz SVDOGBKIVBVUPI-UHFFFAOYSA-N 0 2 415.475 3.546 20 5 HHBDLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000550404945 1009913940 /nfs/dbraw/zinc/91/39/40/1009913940.db2.gz TYMZPHVAUUKDIG-UHFFFAOYSA-N 0 2 406.489 3.627 20 5 HHBDLN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2c1C ZINC000548190365 1010557191 /nfs/dbraw/zinc/55/71/91/1010557191.db2.gz HFGSHOUEEVTNPQ-UHFFFAOYSA-N 0 2 404.473 3.961 20 5 HHBDLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521846793 1010656224 /nfs/dbraw/zinc/65/62/24/1010656224.db2.gz JUEQBVHLLGBQLP-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000536210730 1011357686 /nfs/dbraw/zinc/35/76/86/1011357686.db2.gz SEPIPLWHLFNZEG-UHFFFAOYSA-N 0 2 417.472 3.686 20 5 HHBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1-c1cccc(Cl)c1 ZINC000537518973 1013032856 /nfs/dbraw/zinc/03/28/56/1013032856.db2.gz XOMIMUWUTMBILQ-UHFFFAOYSA-N 0 2 423.820 3.780 20 5 HHBDLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000760343063 1072265160 /nfs/dbraw/zinc/26/51/60/1072265160.db2.gz AJQJDPREUICGDL-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)ccc21 ZINC000590598038 1073932990 /nfs/dbraw/zinc/93/29/90/1073932990.db2.gz CFSQNFGVOVAMPJ-UHFFFAOYSA-N 0 2 421.450 3.532 20 5 HHBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000602093013 1075698515 /nfs/dbraw/zinc/69/85/15/1075698515.db2.gz DLCYOTQQZPYHSY-UHFFFAOYSA-N 0 2 411.411 3.721 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C)[C@@H]1C ZINC000301489886 970954211 /nfs/dbraw/zinc/95/42/11/970954211.db2.gz LSVVASBVKPAZGL-KBPBESRZSA-N 0 2 405.476 3.639 20 5 HHBDLN COc1ccc(Cn2ccc(Nc3ncc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC000302435392 971237769 /nfs/dbraw/zinc/23/77/69/971237769.db2.gz PMHUBWQGDFVDJS-UHFFFAOYSA-N 0 2 404.224 3.749 20 5 HHBDLN O=[N+]([O-])c1ccccc1SC=C(O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000542192835 1013135010 /nfs/dbraw/zinc/13/50/10/1013135010.db2.gz KJWXIBSYPAXCQI-UHFFFAOYSA-N 0 2 406.876 3.919 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000057123271 965295912 /nfs/dbraw/zinc/29/59/12/965295912.db2.gz CTDRVCZOAXERCP-AWEZNQCLSA-N 0 2 412.851 3.607 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1[N+](=O)[O-] ZINC000057733975 965533819 /nfs/dbraw/zinc/53/38/19/965533819.db2.gz XTSHCCYZCBTVIE-UHFFFAOYSA-N 0 2 403.363 3.731 20 5 HHBDLN COC(=O)c1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000055610064 965960330 /nfs/dbraw/zinc/96/03/30/965960330.db2.gz NNJPALSSRWKKEL-UHFFFAOYSA-N 0 2 410.791 3.582 20 5 HHBDLN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1Cl ZINC000055652290 965999225 /nfs/dbraw/zinc/99/92/25/965999225.db2.gz ZNDFAIILHNTFSC-UHFFFAOYSA-N 0 2 400.840 3.846 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)cc1C ZINC000060442092 966145303 /nfs/dbraw/zinc/14/53/03/966145303.db2.gz JQRSLZVJMHXACG-UHFFFAOYSA-N 0 2 404.366 3.954 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C)C1 ZINC000036226964 966428702 /nfs/dbraw/zinc/42/87/02/966428702.db2.gz WYXCRLSXWPCYQH-AWEZNQCLSA-N 0 2 405.476 3.641 20 5 HHBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000065115093 967383720 /nfs/dbraw/zinc/38/37/20/967383720.db2.gz DBMSKGMJHXFJKQ-UHFFFAOYSA-N 0 2 422.426 3.764 20 5 HHBDLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)sc2C1 ZINC000409665576 973122213 /nfs/dbraw/zinc/12/22/13/973122213.db2.gz MDRHMOPRVPATLW-NSHDSACASA-N 0 2 411.505 3.766 20 5 HHBDLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])sc2C1 ZINC000409668851 973129285 /nfs/dbraw/zinc/12/92/85/973129285.db2.gz RYMXUYRSIASBNW-NSHDSACASA-N 0 2 411.505 3.766 20 5 HHBDLN Cc1c(Br)cc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1[N+](=O)[O-] ZINC000427762263 975274583 /nfs/dbraw/zinc/27/45/83/975274583.db2.gz QJFYVSNMRVADCV-UHFFFAOYSA-N 0 2 418.269 3.752 20 5 HHBDLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)c1 ZINC000431333205 978217519 /nfs/dbraw/zinc/21/75/19/978217519.db2.gz QLVQXHWPDOZLMB-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000436187254 981241169 /nfs/dbraw/zinc/24/11/69/981241169.db2.gz HGWDOYYXBJEDNK-SNVBAGLBSA-N 0 2 414.871 3.718 20 5 HHBDLN CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436960523 981649475 /nfs/dbraw/zinc/64/94/75/981649475.db2.gz QWVCFRRWGBINLU-UHFFFAOYSA-N 0 2 424.457 3.628 20 5 HHBDLN COc1ccc(-c2n[nH]c(NC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000460474732 982267405 /nfs/dbraw/zinc/26/74/05/982267405.db2.gz YBXAZQGVSQYJAF-UHFFFAOYSA-N 0 2 417.809 3.611 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)c([N+](=O)[O-])c1 ZINC000437666395 982282572 /nfs/dbraw/zinc/28/25/72/982282572.db2.gz DHZLGCWUGOLZIR-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1[N+](=O)[O-] ZINC000442219563 984739391 /nfs/dbraw/zinc/73/93/91/984739391.db2.gz HLJZOLPTEZBNBB-QZTJIDSGSA-N 0 2 420.487 3.695 20 5 HHBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000463440882 986418680 /nfs/dbraw/zinc/41/86/80/986418680.db2.gz GRTLLHUHUOOZQV-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN Cc1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1I ZINC000468794080 986503849 /nfs/dbraw/zinc/50/38/49/986503849.db2.gz CFDDMPKGTKEPJE-UHFFFAOYSA-N 0 2 404.185 3.527 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(F)c2)c2ncccc12 ZINC000463530278 986506927 /nfs/dbraw/zinc/50/69/27/986506927.db2.gz BUBQNUJGYIRMIM-UHFFFAOYSA-N 0 2 413.333 3.684 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000469062251 986773952 /nfs/dbraw/zinc/77/39/52/986773952.db2.gz VGRSGSNUTNZVQA-LBPRGKRZSA-N 0 2 414.867 3.771 20 5 HHBDLN O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000469628153 987288586 /nfs/dbraw/zinc/28/85/86/987288586.db2.gz VBVSXUCLJHSYMR-UHFFFAOYSA-N 0 2 417.162 3.594 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n(-c2ccccc2C)n1 ZINC000464422792 988594540 /nfs/dbraw/zinc/59/45/40/988594540.db2.gz SFUXYXUYHAVFLF-UHFFFAOYSA-N 0 2 423.454 3.746 20 5 HHBDLN COc1c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cccc1[N+](=O)[O-] ZINC000480931186 993781093 /nfs/dbraw/zinc/78/10/93/993781093.db2.gz GOXAOPNCNKTPNG-UHFFFAOYSA-N 0 2 408.201 3.948 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)c(C(F)(F)F)c1 ZINC000481870361 994732669 /nfs/dbraw/zinc/73/26/69/994732669.db2.gz GKOHMCCCIVHFJZ-UHFFFAOYSA-N 0 2 424.360 3.871 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000483435060 996177339 /nfs/dbraw/zinc/17/73/39/996177339.db2.gz PKGPLNPGKYWEFU-UHFFFAOYSA-N 0 2 417.780 3.995 20 5 HHBDLN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483436452 996177802 /nfs/dbraw/zinc/17/78/02/996177802.db2.gz IMCJLQMUNRRAAP-ZDUSSCGKSA-N 0 2 423.263 3.897 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475793763 996375079 /nfs/dbraw/zinc/37/50/79/996375079.db2.gz ZUQQLOWAGFMGFC-UHFFFAOYSA-N 0 2 423.344 3.518 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)c3cc(SC)ccc3[N+](=O)[O-])s[nH]2)c1 ZINC000476312833 996748375 /nfs/dbraw/zinc/74/83/75/996748375.db2.gz CFLKDMWHTKZONX-UHFFFAOYSA-N 0 2 402.457 3.518 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)s[nH]2)c1 ZINC000476320699 996754311 /nfs/dbraw/zinc/75/43/11/996754311.db2.gz WGTRBMABGMYEBV-UHFFFAOYSA-N 0 2 402.457 3.518 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486012650 998456711 /nfs/dbraw/zinc/45/67/11/998456711.db2.gz BQVSEBGJMZWOPO-UHFFFAOYSA-N 0 2 419.242 3.797 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Br)c(C)cc1C ZINC000486130974 998579423 /nfs/dbraw/zinc/57/94/23/998579423.db2.gz SGPQLMHYPLKRTF-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN COCC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000479950294 999660014 /nfs/dbraw/zinc/66/00/14/999660014.db2.gz QPYGJTGQQLCXRP-GFCCVEGCSA-N 0 2 423.274 3.859 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1[N+](=O)[O-] ZINC000480178058 999737517 /nfs/dbraw/zinc/73/75/17/999737517.db2.gz HLJZOLPTEZBNBB-MSOLQXFVSA-N 0 2 420.487 3.695 20 5 HHBDLN COc1ccc(-c2nc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)cc1 ZINC000490360116 999944376 /nfs/dbraw/zinc/94/43/76/999944376.db2.gz CBVABUGZVHYIHI-UHFFFAOYSA-N 0 2 422.426 3.764 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(OCc2cccnc2)c1 ZINC000490360458 999944420 /nfs/dbraw/zinc/94/44/20/999944420.db2.gz CUWPMGLALACYED-UHFFFAOYSA-N 0 2 416.397 3.606 20 5 HHBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000491063657 1000041428 /nfs/dbraw/zinc/04/14/28/1000041428.db2.gz ZYZDMWVPPVMAIM-UHFFFAOYSA-N 0 2 410.757 3.990 20 5 HHBDLN COCc1cccc2sc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)nc21 ZINC000493136411 1000159541 /nfs/dbraw/zinc/15/95/41/1000159541.db2.gz YKADHWQHLJUMHU-UHFFFAOYSA-N 0 2 407.473 3.769 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000494500784 1000527260 /nfs/dbraw/zinc/52/72/60/1000527260.db2.gz FVMGWPXZTWQEJN-UHFFFAOYSA-N 0 2 419.503 3.766 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000494500784 1000527264 /nfs/dbraw/zinc/52/72/64/1000527264.db2.gz FVMGWPXZTWQEJN-UHFFFAOYSA-N 0 2 419.503 3.766 20 5 HHBDLN Cn1c(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)ccc1[N+](=O)[O-] ZINC000505257762 1000650601 /nfs/dbraw/zinc/65/06/01/1000650601.db2.gz NTUUSDXJXKKGHI-UHFFFAOYSA-N 0 2 421.438 3.918 20 5 HHBDLN O=C1CCCCN1Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000497295111 1001287859 /nfs/dbraw/zinc/28/78/59/1001287859.db2.gz QNRUCBWBETZSQU-UHFFFAOYSA-N 0 2 423.878 3.562 20 5 HHBDLN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1Cc1ccc2c(c1)OCO2 ZINC000498578396 1001991061 /nfs/dbraw/zinc/99/10/61/1001991061.db2.gz TWHVRADSJNCLKX-OAQYLSRUSA-N 0 2 419.393 3.796 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1[N+](=O)[O-] ZINC000508072733 1002594662 /nfs/dbraw/zinc/59/46/62/1002594662.db2.gz HMVQZBFFILNAII-UHFFFAOYSA-N 0 2 405.910 3.603 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000509378062 1003808383 /nfs/dbraw/zinc/80/83/83/1003808383.db2.gz IYQPPUQXJVVBPQ-UHFFFAOYSA-N 0 2 417.418 3.914 20 5 HHBDLN Cc1cn(-c2ccccc2Cl)nc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000501840739 1004770179 /nfs/dbraw/zinc/77/01/79/1004770179.db2.gz CXNKMKYFQIEEIX-UHFFFAOYSA-N 0 2 423.820 3.780 20 5 HHBDLN COc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000502491594 1005090387 /nfs/dbraw/zinc/09/03/87/1005090387.db2.gz KCGPAIVIGQDHHP-UHFFFAOYSA-N 0 2 400.416 3.543 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccc(I)cc2)CC1 ZINC000503528897 1005444504 /nfs/dbraw/zinc/44/45/04/1005444504.db2.gz IXNIDUCBVOSWLT-UHFFFAOYSA-N 0 2 424.194 3.575 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000515011627 1006246635 /nfs/dbraw/zinc/24/66/35/1006246635.db2.gz UDIYYRFUNVVBGJ-UHFFFAOYSA-N 0 2 411.155 3.575 20 5 HHBDLN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534803152 1006807354 /nfs/dbraw/zinc/80/73/54/1006807354.db2.gz QODQEAZOPNFLCK-JRUMVTRASA-N 0 2 415.490 3.596 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)cc1C ZINC000516535803 1007141155 /nfs/dbraw/zinc/14/11/55/1007141155.db2.gz OVLSKBVLVVHSHG-UHFFFAOYSA-N 0 2 422.850 3.640 20 5 HHBDLN CCN(CC)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cn1 ZINC000533330993 1007641238 /nfs/dbraw/zinc/64/12/38/1007641238.db2.gz ZLUFZVQIUMTYPH-UHFFFAOYSA-N 0 2 418.397 3.656 20 5 HHBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2c1 ZINC000545857465 1008943787 /nfs/dbraw/zinc/94/37/87/1008943787.db2.gz PTSJQHUTIIAVHE-UHFFFAOYSA-N 0 2 401.231 3.720 20 5 HHBDLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)c2C1 ZINC000543447723 1009034081 /nfs/dbraw/zinc/03/40/81/1009034081.db2.gz VLGLGVNVPGSLRI-AWEZNQCLSA-N 0 2 419.503 3.908 20 5 HHBDLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)c2C1 ZINC000543447723 1009034097 /nfs/dbraw/zinc/03/40/97/1009034097.db2.gz VLGLGVNVPGSLRI-AWEZNQCLSA-N 0 2 419.503 3.908 20 5 HHBDLN CCc1noc2ncc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)cc12 ZINC000546565663 1009587605 /nfs/dbraw/zinc/58/76/05/1009587605.db2.gz CETHXWXTJFYCAQ-UHFFFAOYSA-N 0 2 416.337 3.513 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1ccccc1F ZINC000550858150 1010220356 /nfs/dbraw/zinc/22/03/56/1010220356.db2.gz LAMWXAGARXRKKS-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc(Br)c3)ccc2c1 ZINC000540651980 1011304758 /nfs/dbraw/zinc/30/47/58/1011304758.db2.gz LPIYOWDRBTYWTI-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c([N+](=O)[O-])c1 ZINC000523124837 1011592070 /nfs/dbraw/zinc/59/20/70/1011592070.db2.gz LVBLSSIAMPVHLU-UHFFFAOYSA-N 0 2 404.366 3.954 20 5 HHBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)s2)cc1 ZINC000536460427 1011680736 /nfs/dbraw/zinc/68/07/36/1011680736.db2.gz STQQVOKBFGOHDT-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000523983459 1012731926 /nfs/dbraw/zinc/73/19/26/1012731926.db2.gz NUJXUGGLDGREMO-UHFFFAOYSA-N 0 2 418.431 3.578 20 5 HHBDLN C/C=C/COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000905829619 1071983630 /nfs/dbraw/zinc/98/36/30/1071983630.db2.gz FGAUGPHMGPEEAN-NSCUHMNNSA-N 0 2 410.835 3.782 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1Br ZINC000760334046 1072252883 /nfs/dbraw/zinc/25/28/83/1072252883.db2.gz FVDFDBKZNGHKPB-UHFFFAOYSA-N 0 2 423.191 3.760 20 5 HHBDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc2)n[nH]1 ZINC000760365113 1072292852 /nfs/dbraw/zinc/29/28/52/1072292852.db2.gz JABVTVFDTMAOMS-UHFFFAOYSA-N 0 2 406.395 3.667 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)c1C ZINC000479142150 1072763505 /nfs/dbraw/zinc/76/35/05/1072763505.db2.gz AFNOFMRFSRAAPQ-WAYWQWQTSA-N 0 2 406.445 3.627 20 5 HHBDLN CC(C)(C)c1csc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000553260923 1013228904 /nfs/dbraw/zinc/22/89/04/1013228904.db2.gz GVSKQLZHGQUMMC-UHFFFAOYSA-N 0 2 420.310 3.912 20 5 HHBDLN O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000010420836 961815692 /nfs/dbraw/zinc/81/56/92/961815692.db2.gz PMSOOIGYMWIRQQ-UHFFFAOYSA-N 0 2 410.455 3.568 20 5 HHBDLN O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000010420836 961815715 /nfs/dbraw/zinc/81/57/15/961815715.db2.gz 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O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031892476 966146556 /nfs/dbraw/zinc/14/65/56/966146556.db2.gz FJUAOUCHXNLXIF-MRXNPFEDSA-N 0 2 407.829 3.660 20 5 HHBDLN COc1ccc2nc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)sc2c1 ZINC000060934460 966331764 /nfs/dbraw/zinc/33/17/64/966331764.db2.gz IUVGWXZFMIEZRU-UHFFFAOYSA-N 0 2 413.864 3.976 20 5 HHBDLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538116789 1013678034 /nfs/dbraw/zinc/67/80/34/1013678034.db2.gz NRNXNZDSTLIZAX-MAUKXSAKSA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538116789 1013678037 /nfs/dbraw/zinc/67/80/37/1013678037.db2.gz NRNXNZDSTLIZAX-MAUKXSAKSA-N 0 2 407.829 3.658 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047522024 968219833 /nfs/dbraw/zinc/21/98/33/968219833.db2.gz UVIJVIFYEKUZDR-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(F)c1 ZINC000409535342 972991036 /nfs/dbraw/zinc/99/10/36/972991036.db2.gz LYYIMPFEKLSTRL-UHFFFAOYSA-N 0 2 411.411 3.721 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)c(C)c1 ZINC000431321627 978206918 /nfs/dbraw/zinc/20/69/18/978206918.db2.gz SCLKHPSXKZCMDC-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000432967945 979028366 /nfs/dbraw/zinc/02/83/66/979028366.db2.gz SMXNKYYIYFAKQG-LBPRGKRZSA-N 0 2 412.748 3.811 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000435138251 980669680 /nfs/dbraw/zinc/66/96/80/980669680.db2.gz QVUVCHSZIICGRB-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN CC(C)c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1-c1ccccc1 ZINC000435467820 980881309 /nfs/dbraw/zinc/88/13/09/980881309.db2.gz KZSDIKJBWVOVBM-UHFFFAOYSA-N 0 2 417.429 3.941 20 5 HHBDLN 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Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439186202 983297793 /nfs/dbraw/zinc/29/77/93/983297793.db2.gz KUTKUMSZHTZJIL-UHFFFAOYSA-N 0 2 423.820 3.780 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000442317180 984816123 /nfs/dbraw/zinc/81/61/23/984816123.db2.gz VULQRWJZVMDYMZ-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444003117 986201127 /nfs/dbraw/zinc/20/11/27/986201127.db2.gz HXXXHUDDFYWCRP-UHFFFAOYSA-N 0 2 404.476 3.936 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)c2ncccc12 ZINC000463528536 986505127 /nfs/dbraw/zinc/50/51/27/986505127.db2.gz XYWQRQIVVWCVSX-UHFFFAOYSA-N 0 2 413.455 3.870 20 5 HHBDLN Cc1cnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)o1 ZINC000463530027 986506962 /nfs/dbraw/zinc/50/69/62/986506962.db2.gz ACMPWDSJVBWHMJ-UHFFFAOYSA-N 0 2 410.411 3.907 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000469015721 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415.265 3.784 20 5 HHBDLN CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000478878211 999189595 /nfs/dbraw/zinc/18/95/95/999189595.db2.gz FEXQTHQYPUSRJT-PIGZYNQJSA-N 0 2 424.240 3.765 20 5 HHBDLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488307627 999433214 /nfs/dbraw/zinc/43/32/14/999433214.db2.gz LSNCCJSCBOAOEC-UHFFFAOYSA-N 0 2 404.803 3.595 20 5 HHBDLN Cc1cc(O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1Cl ZINC000490365142 999945249 /nfs/dbraw/zinc/94/52/49/999945249.db2.gz JCMAOLKBWVLCHJ-NSHDSACASA-N 0 2 401.810 3.748 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000491575314 1000084957 /nfs/dbraw/zinc/08/49/57/1000084957.db2.gz ZGQNJUUUHNJXNW-UHFFFAOYSA-N 0 2 424.438 3.948 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000491582874 1000085832 /nfs/dbraw/zinc/08/58/32/1000085832.db2.gz CSOVKHSNPRYQON-UHFFFAOYSA-N 0 2 423.205 3.628 20 5 HHBDLN 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ZINC000510824028 1004875611 /nfs/dbraw/zinc/87/56/11/1004875611.db2.gz BEDPCGKERIEBAI-UHFFFAOYSA-N 0 2 411.393 3.677 20 5 HHBDLN COc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000502396998 1005055445 /nfs/dbraw/zinc/05/54/45/1005055445.db2.gz CBRIWOYONJQBCT-UHFFFAOYSA-N 0 2 414.443 3.851 20 5 HHBDLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000502473772 1005086375 /nfs/dbraw/zinc/08/63/75/1005086375.db2.gz QEMATAIYOOZTEM-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000511710190 1005287114 /nfs/dbraw/zinc/28/71/14/1005287114.db2.gz KHXPTIOLHWYVBW-SNVBAGLBSA-N 0 2 411.277 3.974 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c([N+](=O)[O-])c1 ZINC000511716816 1005290268 /nfs/dbraw/zinc/29/02/68/1005290268.db2.gz WGNHZAQACKTLGD-UHFFFAOYSA-N 0 2 415.427 3.900 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000534163970 1006147381 /nfs/dbraw/zinc/14/73/81/1006147381.db2.gz OXTGDLWUKWITCF-UHFFFAOYSA-N 0 2 422.459 3.668 20 5 HHBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000515335742 1006406370 /nfs/dbraw/zinc/40/63/70/1006406370.db2.gz FVRQPGFFLZNUJV-SFHVURJKSA-N 0 2 422.485 3.756 20 5 HHBDLN Cc1nc(C)c(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 ZINC000531781366 1006422000 /nfs/dbraw/zinc/42/20/00/1006422000.db2.gz JZLQMFBFSSLZTE-UHFFFAOYSA-N 0 2 406.283 3.540 20 5 HHBDLN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000515634961 1006570789 /nfs/dbraw/zinc/57/07/89/1006570789.db2.gz UCANUZUXKXIZKX-UHFFFAOYSA-N 0 2 423.878 3.721 20 5 HHBDLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000538754973 1007040391 /nfs/dbraw/zinc/04/03/91/1007040391.db2.gz RITJUCXNFYDYQB-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(C)c3)s2)c([N+](=O)[O-])c1 ZINC000517199149 1007500093 /nfs/dbraw/zinc/50/00/93/1007500093.db2.gz JMLBOZPDSYAQSQ-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CCCC2)c1 ZINC000539971576 1008214419 /nfs/dbraw/zinc/21/44/19/1008214419.db2.gz CGWKYJYPLRMKSF-UHFFFAOYSA-N 0 2 418.471 3.642 20 5 HHBDLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000546599305 1009621132 /nfs/dbraw/zinc/62/11/32/1009621132.db2.gz RROAJYXJKUZYFL-UHFFFAOYSA-N 0 2 405.476 3.520 20 5 HHBDLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000546599305 1009621136 /nfs/dbraw/zinc/62/11/36/1009621136.db2.gz RROAJYXJKUZYFL-UHFFFAOYSA-N 0 2 405.476 3.520 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000544622276 1010245926 /nfs/dbraw/zinc/24/59/26/1010245926.db2.gz WHPUGDPQVDZGNJ-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCc1ccccc1[N+](=O)[O-] ZINC000548067799 1010519021 /nfs/dbraw/zinc/51/90/21/1010519021.db2.gz XBESMDJWWYJQRI-UHFFFAOYSA-N 0 2 403.851 3.553 20 5 HHBDLN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCc2c1cccc2[N+](=O)[O-] ZINC000523131838 1011601429 /nfs/dbraw/zinc/60/14/29/1011601429.db2.gz CZGGZTZCFMAPPD-UHFFFAOYSA-N 0 2 413.231 3.950 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000523729917 1012346748 /nfs/dbraw/zinc/34/67/48/1012346748.db2.gz UQUUJMYKRZINAN-OAHLLOKOSA-N 0 2 406.460 3.652 20 5 HHBDLN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000552602710 1012602635 /nfs/dbraw/zinc/60/26/35/1012602635.db2.gz OAYFXQOLOVMVCH-ZDUSSCGKSA-N 0 2 422.445 3.574 20 5 HHBDLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2)n1 ZINC000760366086 1072293723 /nfs/dbraw/zinc/29/37/23/1072293723.db2.gz SOMIJYXNCSTTOK-UHFFFAOYSA-N 0 2 420.422 3.764 20 5 HHBDLN CO[C@H]1Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C1 ZINC000783859798 1072459833 /nfs/dbraw/zinc/45/98/33/1072459833.db2.gz PJCJYYFLDLGCEA-AWEZNQCLSA-N 0 2 416.377 3.528 20 5 HHBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 ZINC000602092978 1075698588 /nfs/dbraw/zinc/69/85/88/1075698588.db2.gz CHHKLJOKULSITI-UHFFFAOYSA-N 0 2 411.411 3.721 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ccc(Cl)cc2)n1 ZINC000524298121 1013109179 /nfs/dbraw/zinc/10/91/79/1013109179.db2.gz RRMBNGBFJFEUAL-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000023391696 963816544 /nfs/dbraw/zinc/81/65/44/963816544.db2.gz KRUPTDHAPZOMAU-UHFFFAOYSA-N 0 2 408.766 3.659 20 5 HHBDLN O=C1c2ccccc2N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1Cc1ccc2c(c1)OCO2 ZINC000024034859 963928794 /nfs/dbraw/zinc/92/87/94/963928794.db2.gz LFCKNYSDKDHDAB-OAQYLSRUSA-N 0 2 419.393 3.796 20 5 HHBDLN COc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024103077 963942853 /nfs/dbraw/zinc/94/28/53/963942853.db2.gz JRYIJMWQAKZQOH-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000057434749 965452060 /nfs/dbraw/zinc/45/20/60/965452060.db2.gz NTCSDHXJLCKDKA-UHFFFAOYSA-N 0 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ZINC000409536367 972992126 /nfs/dbraw/zinc/99/21/26/972992126.db2.gz RHRPOQNSTRXYJD-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)sc2C1 ZINC000409665575 973122088 /nfs/dbraw/zinc/12/20/88/973122088.db2.gz MDRHMOPRVPATLW-LLVKDONJSA-N 0 2 411.505 3.766 20 5 HHBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000410169369 973663679 /nfs/dbraw/zinc/66/36/79/973663679.db2.gz RIJOPNPIQUFPKS-MWLCHTKSSA-N 0 2 419.233 3.730 20 5 HHBDLN COc1ccccc1[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000427790809 975290494 /nfs/dbraw/zinc/29/04/94/975290494.db2.gz BFVVXUMKPQPAOW-KRWDZBQOSA-N 0 2 422.846 3.918 20 5 HHBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000430360781 977502303 /nfs/dbraw/zinc/50/23/03/977502303.db2.gz AYVDBAVIQLVUMQ-UHFFFAOYSA-N 0 2 412.471 3.737 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1[N+](=O)[O-] ZINC000431317125 978201698 /nfs/dbraw/zinc/20/16/98/978201698.db2.gz CUYQORSALDKBOO-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000431316331 978201800 /nfs/dbraw/zinc/20/18/00/978201800.db2.gz CKPIOGWBCOUXIA-UHFFFAOYSA-N 0 2 422.513 3.848 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1[N+](=O)[O-] ZINC000432366978 978780204 /nfs/dbraw/zinc/78/02/04/978780204.db2.gz DUTLSMAMWUOWKG-UHFFFAOYSA-N 0 2 409.420 3.667 20 5 HHBDLN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000436706170 981522753 /nfs/dbraw/zinc/52/27/53/981522753.db2.gz UWDVVZXLEAGDKU-UHFFFAOYSA-N 0 2 409.427 3.871 20 5 HHBDLN C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436851133 981590776 /nfs/dbraw/zinc/59/07/76/981590776.db2.gz CNBZQEIQQVXHTP-APPDUMDISA-N 0 2 410.348 3.921 20 5 HHBDLN C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436851137 981590845 /nfs/dbraw/zinc/59/08/45/981590845.db2.gz CNBZQEIQQVXHTP-GTNSWQLSSA-N 0 2 410.348 3.921 20 5 HHBDLN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436867652 981597174 /nfs/dbraw/zinc/59/71/74/981597174.db2.gz DRBBQJQMOXXGAU-ZDUSSCGKSA-N 0 2 400.435 3.665 20 5 HHBDLN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436899935 981606564 /nfs/dbraw/zinc/60/65/64/981606564.db2.gz LUAOXDVFNIQJKT-PIGZYNQJSA-N 0 2 421.247 3.665 20 5 HHBDLN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436899934 981606674 /nfs/dbraw/zinc/60/66/74/981606674.db2.gz LUAOXDVFNIQJKT-GTNSWQLSSA-N 0 2 421.247 3.665 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c1C ZINC000437170021 981823575 /nfs/dbraw/zinc/82/35/75/981823575.db2.gz FXEPDRHDUGVNPC-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c(OC)c1 ZINC000443420538 985577917 /nfs/dbraw/zinc/57/79/17/985577917.db2.gz VGEJKMJFNSDLOB-UHFFFAOYSA-N 0 2 420.365 3.740 20 5 HHBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463307143 986274817 /nfs/dbraw/zinc/27/48/17/986274817.db2.gz HKCIWJWYPASBQY-UHFFFAOYSA-N 0 2 412.349 3.596 20 5 HHBDLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000468932191 986637859 /nfs/dbraw/zinc/63/78/59/986637859.db2.gz MHLIPAUKEJYTQD-UHFFFAOYSA-N 0 2 418.450 3.705 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)ccc1[N+](=O)[O-] ZINC000468962347 986666205 /nfs/dbraw/zinc/66/62/05/986666205.db2.gz NJQVNPWRIQKBKN-UHFFFAOYSA-N 0 2 414.439 3.701 20 5 HHBDLN O=C(COc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1)Nc1ccccc1 ZINC000469564997 987234873 /nfs/dbraw/zinc/23/48/73/987234873.db2.gz HURKYNSCJYHHKB-UHFFFAOYSA-N 0 2 407.382 3.570 20 5 HHBDLN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2C1 ZINC000464403926 988571612 /nfs/dbraw/zinc/57/16/12/988571612.db2.gz BXESGJJGVHFRNN-NSHDSACASA-N 0 2 418.500 3.915 20 5 HHBDLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464412738 988582290 /nfs/dbraw/zinc/58/22/90/988582290.db2.gz 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O=[N+]([O-])c1ccc(NCc2nnc(COc3ccccc3)[nH]2)nc1-c1ccccc1 ZINC000472675389 993598504 /nfs/dbraw/zinc/59/85/04/993598504.db2.gz DPCDYEPNAGSRQG-UHFFFAOYSA-N 0 2 402.414 3.966 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000481050207 993892877 /nfs/dbraw/zinc/89/28/77/993892877.db2.gz BAFFOJARSKFEKK-LBPRGKRZSA-N 0 2 424.548 3.701 20 5 HHBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000481859958 994718435 /nfs/dbraw/zinc/71/84/35/994718435.db2.gz XWYRDEQVSTWUAI-UHFFFAOYSA-N 0 2 408.436 3.670 20 5 HHBDLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000479158777 999301769 /nfs/dbraw/zinc/30/17/69/999301769.db2.gz QLFBYZDUYXXHMS-UHFFFAOYSA-N 0 2 414.867 3.773 20 5 HHBDLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000479163462 999304171 /nfs/dbraw/zinc/30/41/71/999304171.db2.gz XXWOXURFJSNLFH-UHFFFAOYSA-N 0 2 414.867 3.773 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479531848 999463917 /nfs/dbraw/zinc/46/39/17/999463917.db2.gz PDGHVWZMVWHTNI-UHFFFAOYSA-N 0 2 409.370 3.854 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1occc1C ZINC000488676571 999568252 /nfs/dbraw/zinc/56/82/52/999568252.db2.gz PNMRNCKQDFLGDG-UHFFFAOYSA-N 0 2 417.443 3.918 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000480219922 999748430 /nfs/dbraw/zinc/74/84/30/999748430.db2.gz DLVMERXQAZJJEX-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN O=C(COc1ccc(Cl)c2cccnc12)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490367466 999945791 /nfs/dbraw/zinc/94/57/91/999945791.db2.gz MAPZXZWPAGJKRH-UHFFFAOYSA-N 0 2 424.804 3.599 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491571967 1000084685 /nfs/dbraw/zinc/08/46/85/1000084685.db2.gz JKJBCSOQVIVPNU-KRWDZBQOSA-N 0 2 416.459 3.740 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000498298834 1001765274 /nfs/dbraw/zinc/76/52/74/1001765274.db2.gz XTXVQCWDVJMWHR-UHFFFAOYSA-N 0 2 411.830 3.989 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c(F)c1 ZINC000508115369 1002644003 /nfs/dbraw/zinc/64/40/03/1002644003.db2.gz HZNAYZWIROLHSN-HNNXBMFYSA-N 0 2 417.340 3.797 20 5 HHBDLN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000511890980 1003867221 /nfs/dbraw/zinc/86/72/21/1003867221.db2.gz OWAVYUUKTVELFE-UHFFFAOYSA-N 0 2 410.411 3.561 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)c([N+](=O)[O-])c1 ZINC000509574857 1003954860 /nfs/dbraw/zinc/95/48/60/1003954860.db2.gz UDIDTLZATSKOQP-UHFFFAOYSA-N 0 2 407.517 3.566 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000509624330 1003988246 /nfs/dbraw/zinc/98/82/46/1003988246.db2.gz WZYSMXNECJCTII-UHFFFAOYSA-N 0 2 412.423 3.635 20 5 HHBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000510685067 1004797854 /nfs/dbraw/zinc/79/78/54/1004797854.db2.gz UWTMPSVBRLGCTK-QMMMGPOBSA-N 0 2 421.219 3.675 20 5 HHBDLN COc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000502396200 1005055633 /nfs/dbraw/zinc/05/56/33/1005055633.db2.gz ZUZAKODYZKFOBE-UHFFFAOYSA-N 0 2 418.406 3.682 20 5 HHBDLN COc1ccc(Nc2ncccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000502494198 1005091244 /nfs/dbraw/zinc/09/12/44/1005091244.db2.gz MLFGYRPRSPFIBC-UHFFFAOYSA-N 0 2 400.416 3.543 20 5 HHBDLN O=C(Nc1cnn(-c2ccccc2Br)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000502553898 1005115922 /nfs/dbraw/zinc/11/59/22/1005115922.db2.gz JEJFYSYNIHPLDZ-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000503646924 1005472681 /nfs/dbraw/zinc/47/26/81/1005472681.db2.gz DOCMZXAXOVTXKQ-UHFFFAOYSA-N 0 2 401.473 3.685 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000531205034 1006045711 /nfs/dbraw/zinc/04/57/11/1006045711.db2.gz RKFPIDLJNCRRLN-UHFFFAOYSA-N 0 2 408.329 3.784 20 5 HHBDLN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CO2 ZINC000531657857 1006335312 /nfs/dbraw/zinc/33/53/12/1006335312.db2.gz UDUFPODBWXWQCI-LBPRGKRZSA-N 0 2 403.243 3.622 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000538870136 1007148840 /nfs/dbraw/zinc/14/88/40/1007148840.db2.gz CJAFQPVHYVQKKY-NSHDSACASA-N 0 2 410.352 3.569 20 5 HHBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C ZINC000535342992 1007396935 /nfs/dbraw/zinc/39/69/35/1007396935.db2.gz CFWCQBUVJCLBKE-UHFFFAOYSA-N 0 2 402.350 3.925 20 5 HHBDLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)c2C1 ZINC000543447725 1009033463 /nfs/dbraw/zinc/03/34/63/1009033463.db2.gz VLGLGVNVPGSLRI-CQSZACIVSA-N 0 2 419.503 3.908 20 5 HHBDLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)c2C1 ZINC000543447725 1009033475 /nfs/dbraw/zinc/03/34/75/1009033475.db2.gz VLGLGVNVPGSLRI-CQSZACIVSA-N 0 2 419.503 3.908 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000520333090 1009466513 /nfs/dbraw/zinc/46/65/13/1009466513.db2.gz DHCWXJDVXCBHFV-UHFFFAOYSA-N 0 2 405.476 3.997 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)s1 ZINC000544668384 1010285990 /nfs/dbraw/zinc/28/59/90/1010285990.db2.gz NSHNBDOTHYMMAO-LLVKDONJSA-N 0 2 400.787 3.892 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000522598517 1011101487 /nfs/dbraw/zinc/10/14/87/1011101487.db2.gz IEQLAFRTZISIRK-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N=c1nc(-c2ccsc2)[nH]s1 ZINC000522640095 1011129791 /nfs/dbraw/zinc/12/97/91/1011129791.db2.gz SRGNULMDAUSZIM-UHFFFAOYSA-N 0 2 410.864 3.658 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1csc(Cc2ccccc2F)n1 ZINC000522760823 1011200661 /nfs/dbraw/zinc/20/06/61/1011200661.db2.gz HLAHLVLAKMCHOD-UHFFFAOYSA-N 0 2 424.417 3.819 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(Cl)ccc(C)c3n2)cc1[N+](=O)[O-] ZINC000540564906 1011223462 /nfs/dbraw/zinc/22/34/62/1011223462.db2.gz SNSZDUIKCLFKMU-UHFFFAOYSA-N 0 2 407.835 3.914 20 5 HHBDLN O=C(Nc1ccsc1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000522921655 1011366468 /nfs/dbraw/zinc/36/64/68/1011366468.db2.gz FVBYOBTXHJYMGW-UHFFFAOYSA-N 0 2 403.441 3.709 20 5 HHBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000541073201 1011712538 /nfs/dbraw/zinc/71/25/38/1011712538.db2.gz RHURLWJXUBIEEO-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN Cc1ccc(C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000523734795 1012354099 /nfs/dbraw/zinc/35/40/99/1012354099.db2.gz IGOFZZQVAWFFPK-GOSISDBHSA-N 0 2 415.446 3.700 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1ccccc1 ZINC000542093930 1013023225 /nfs/dbraw/zinc/02/32/25/1013023225.db2.gz MXBYIVXNRSFMBP-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN CO[C@@H]1Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2C1 ZINC000783859799 1072459771 /nfs/dbraw/zinc/45/97/71/1072459771.db2.gz PJCJYYFLDLGCEA-CQSZACIVSA-N 0 2 416.377 3.528 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1C ZINC000572323232 1073239809 /nfs/dbraw/zinc/23/98/09/1073239809.db2.gz NBNCWKVBUDKMTH-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(Cl)cc1 ZINC000588856524 1073309619 /nfs/dbraw/zinc/30/96/19/1073309619.db2.gz ZMVRJOGPJUXWDD-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc(F)c(Br)cc2F)cccc1[N+](=O)[O-] ZINC000537650794 1013211795 /nfs/dbraw/zinc/21/17/95/1013211795.db2.gz COTRVENGNUHQJY-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000542516009 1013459190 /nfs/dbraw/zinc/45/91/90/1013459190.db2.gz IKYQCVZTCRQYLB-GOSISDBHSA-N 0 2 405.410 3.800 20 5 HHBDLN CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1 ZINC000041017612 966518985 /nfs/dbraw/zinc/51/89/85/966518985.db2.gz VSUZSUNZMWNNBZ-UHFFFAOYSA-N 0 2 419.484 4.226 20 5 HHBDLN Cc1sc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000063497078 966875658 /nfs/dbraw/zinc/87/56/58/966875658.db2.gz PUURNBBGMWKBFI-UHFFFAOYSA-N 0 2 408.237 3.765 20 5 HHBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554723059 1014031663 /nfs/dbraw/zinc/03/16/63/1014031663.db2.gz NWGSFGSVWNXONK-LJQANCHMSA-N 0 2 423.473 3.839 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1cccc(F)c1 ZINC000409518672 972973786 /nfs/dbraw/zinc/97/37/86/972973786.db2.gz LWCGDRIVEOAOLB-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccc(F)cc1 ZINC000409523664 972979384 /nfs/dbraw/zinc/97/93/84/972979384.db2.gz VWYSANKJXPYKLF-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Br)c1F ZINC000430556810 977629985 /nfs/dbraw/zinc/62/99/85/977629985.db2.gz RFWKXJALAYYMKX-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1[N+](=O)[O-] ZINC000431329269 978214444 /nfs/dbraw/zinc/21/44/44/978214444.db2.gz BGZBPMKYWKDFMW-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710641 981524883 /nfs/dbraw/zinc/52/48/83/981524883.db2.gz WZQLVWNQLPFDBL-APPDUMDISA-N 0 2 410.348 3.921 20 5 HHBDLN O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436872947 981598501 /nfs/dbraw/zinc/59/85/01/981598501.db2.gz YEKYLKWZPVHLBO-UHFFFAOYSA-N 0 2 403.822 3.832 20 5 HHBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1S(=O)(=O)C1CCCC1 ZINC000436954433 981644307 /nfs/dbraw/zinc/64/43/07/981644307.db2.gz GQLNMPUKUASTDQ-UHFFFAOYSA-N 0 2 404.444 3.577 20 5 HHBDLN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436971875 981657756 /nfs/dbraw/zinc/65/77/56/981657756.db2.gz LMYWFHOUAYTPNF-UHFFFAOYSA-N 0 2 402.300 3.970 20 5 HHBDLN CC(C)c1cnc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000437299965 981952861 /nfs/dbraw/zinc/95/28/61/981952861.db2.gz AOJQCBBGAZDRFN-UHFFFAOYSA-N 0 2 406.283 3.738 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)ccc1[N+](=O)[O-] ZINC000437661571 982277891 /nfs/dbraw/zinc/27/78/91/982277891.db2.gz YDGCTTPTTYMPIW-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2)n1 ZINC000441733496 984420874 /nfs/dbraw/zinc/42/08/74/984420874.db2.gz YBMWOGZTERQROY-UHFFFAOYSA-N 0 2 414.443 3.903 20 5 HHBDLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4C)o3)cc2c1 ZINC000443161075 985417214 /nfs/dbraw/zinc/41/72/14/985417214.db2.gz RMEDGLJFVTWFLK-UHFFFAOYSA-N 0 2 414.399 3.809 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000468371274 986070109 /nfs/dbraw/zinc/07/01/09/986070109.db2.gz FKQIUEFQGQTLLT-UHFFFAOYSA-N 0 2 404.400 3.545 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC(C)C ZINC000468379350 986078962 /nfs/dbraw/zinc/07/89/62/986078962.db2.gz LRAXTPORNDLXLB-UHFFFAOYSA-N 0 2 410.473 3.683 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)ccc1[N+](=O)[O-] ZINC000468932221 986637763 /nfs/dbraw/zinc/63/77/63/986637763.db2.gz KTNDTDAPFMDRKC-UHFFFAOYSA-N 0 2 415.427 3.900 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc([N+](=O)[O-])c1 ZINC000473485552 994329852 /nfs/dbraw/zinc/32/98/52/994329852.db2.gz BBJQNANXQSEIJV-UHFFFAOYSA-N 0 2 423.205 3.628 20 5 HHBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000481848664 994703963 /nfs/dbraw/zinc/70/39/63/994703963.db2.gz PFJZNIVAJHKJNQ-UHFFFAOYSA-N 0 2 408.436 3.670 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)cc1C ZINC000484616625 996949563 /nfs/dbraw/zinc/94/95/63/996949563.db2.gz LSAVSGKSPRFKBR-MOPGFXCFSA-N 0 2 420.487 3.695 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485393634 997822655 /nfs/dbraw/zinc/82/26/55/997822655.db2.gz PJYLOUKKUCOHOP-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN O=c1c(Cl)c(/C=C/c2ccc(O)c([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000486025888 998473141 /nfs/dbraw/zinc/47/31/41/998473141.db2.gz KRDGYNBJINHBLO-DAFODLJHSA-N 0 2 422.622 3.895 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1Br ZINC000490361695 999944738 /nfs/dbraw/zinc/94/47/38/999944738.db2.gz FIANMFRVTVXGSZ-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(COc2ccc(F)cc2)o1 ZINC000490365400 999945277 /nfs/dbraw/zinc/94/52/77/999945277.db2.gz KFUUVCXKZRERRM-UHFFFAOYSA-N 0 2 423.360 3.943 20 5 HHBDLN Cc1cc(O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1Cl ZINC000490365139 999945303 /nfs/dbraw/zinc/94/53/03/999945303.db2.gz JCMAOLKBWVLCHJ-LLVKDONJSA-N 0 2 401.810 3.748 20 5 HHBDLN Cc1nc(Cc2ccccc2)sc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490397691 999950942 /nfs/dbraw/zinc/95/09/42/999950942.db2.gz JPIXZVOFRODVDE-UHFFFAOYSA-N 0 2 420.454 3.988 20 5 HHBDLN C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496057198 1001118789 /nfs/dbraw/zinc/11/87/89/1001118789.db2.gz XWGUKHUCXJNRQI-ZDUSSCGKSA-N 0 2 402.414 3.745 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc1[N+](=O)[O-] ZINC000507305456 1001986749 /nfs/dbraw/zinc/98/67/49/1001986749.db2.gz RLBWGIRXJFCWEQ-UHFFFAOYSA-N 0 2 419.484 3.893 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507634385 1002236283 /nfs/dbraw/zinc/23/62/83/1002236283.db2.gz IFRKCUKYOUYJMR-UHFFFAOYSA-N 0 2 415.399 3.952 20 5 HHBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507938759 1002472779 /nfs/dbraw/zinc/47/27/79/1002472779.db2.gz OXNJKBBHMRNWPP-GFCCVEGCSA-N 0 2 410.320 3.845 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)s1 ZINC000508075472 1002597918 /nfs/dbraw/zinc/59/79/18/1002597918.db2.gz ZLWRZNHJZZGYDT-ZDUSSCGKSA-N 0 2 405.379 3.720 20 5 HHBDLN CSc1cc2c(cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)OCCO2 ZINC000509596715 1003969605 /nfs/dbraw/zinc/96/96/05/1003969605.db2.gz TWLIDSLDJIUKKZ-UHFFFAOYSA-N 0 2 416.864 3.542 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000534068003 1006039413 /nfs/dbraw/zinc/03/94/13/1006039413.db2.gz NGUOLPSNQKVDBM-HNNXBMFYSA-N 0 2 424.240 3.851 20 5 HHBDLN Cc1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000534068791 1006040467 /nfs/dbraw/zinc/04/04/67/1006040467.db2.gz ZJEJKHUERCVGCY-UHFFFAOYSA-N 0 2 419.850 3.574 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000534793366 1006796499 /nfs/dbraw/zinc/79/64/99/1006796499.db2.gz MLOJZPLAOJAUJZ-UHFFFAOYSA-N 0 2 418.475 3.588 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000534793366 1006796511 /nfs/dbraw/zinc/79/65/11/1006796511.db2.gz MLOJZPLAOJAUJZ-UHFFFAOYSA-N 0 2 418.475 3.588 20 5 HHBDLN COc1cc(C(=O)Nc2cc(Br)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000534940707 1006981035 /nfs/dbraw/zinc/98/10/35/1006981035.db2.gz UBWVAOLCQJSKHI-UHFFFAOYSA-N 0 2 401.600 3.977 20 5 HHBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000518704333 1008398453 /nfs/dbraw/zinc/39/84/53/1008398453.db2.gz HFCJKAHCGKCHRA-UHFFFAOYSA-N 0 2 412.471 3.904 20 5 HHBDLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)s2)cc1 ZINC000543640059 1009243783 /nfs/dbraw/zinc/24/37/83/1009243783.db2.gz RHGZMCVBMBHFAN-UHFFFAOYSA-N 0 2 418.500 3.763 20 5 HHBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543655481 1009261179 /nfs/dbraw/zinc/26/11/79/1009261179.db2.gz FFZAZTYUGZEIAH-UHFFFAOYSA-N 0 2 403.851 3.853 20 5 HHBDLN COc1cc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000544403960 1010022931 /nfs/dbraw/zinc/02/29/31/1010022931.db2.gz CIIAUSGLUWNCCD-UHFFFAOYSA-N 0 2 414.336 3.821 20 5 HHBDLN COc1ccc(-c2nc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cs2)cc1OC ZINC000547863343 1010455776 /nfs/dbraw/zinc/45/57/76/1010455776.db2.gz DZMXFDWGCDUWFJ-UHFFFAOYSA-N 0 2 401.400 3.693 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000548283168 1010579530 /nfs/dbraw/zinc/57/95/30/1010579530.db2.gz HCKYVVKGSJTXEN-UHFFFAOYSA-N 0 2 411.798 3.745 20 5 HHBDLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000551473140 1010608537 /nfs/dbraw/zinc/60/85/37/1010608537.db2.gz IKQFWHIRFLNNFT-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)CSC ZINC000522902811 1011347350 /nfs/dbraw/zinc/34/73/50/1011347350.db2.gz KBVZADGQIBWOQG-GFCCVEGCSA-N 0 2 411.505 3.568 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000540695876 1011348050 /nfs/dbraw/zinc/34/80/50/1011348050.db2.gz BNVDQRNLKKXXPJ-UHFFFAOYSA-N 0 2 421.475 3.766 20 5 HHBDLN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552177392 1012190997 /nfs/dbraw/zinc/19/09/97/1012190997.db2.gz LUDZODRDKXFWSS-AWEZNQCLSA-N 0 2 424.240 3.533 20 5 HHBDLN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541586560 1012376835 /nfs/dbraw/zinc/37/68/35/1012376835.db2.gz BJAOHCIWCCWMNH-UHFFFAOYSA-N 0 2 402.794 3.965 20 5 HHBDLN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000537150065 1012544549 /nfs/dbraw/zinc/54/45/49/1012544549.db2.gz ZZHMVYNYJKIYIC-UHFFFAOYSA-N 0 2 401.473 3.683 20 5 HHBDLN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000552597815 1012599265 /nfs/dbraw/zinc/59/92/65/1012599265.db2.gz MBUYWKNCOWVJPH-UHFFFAOYSA-N 0 2 421.335 3.520 20 5 HHBDLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 ZINC000760321737 1072246615 /nfs/dbraw/zinc/24/66/15/1072246615.db2.gz TXRKRCNZMUDTAU-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN COCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1Cl ZINC000760345650 1072260872 /nfs/dbraw/zinc/26/08/72/1072260872.db2.gz XIRLRDNFZYFRGF-UHFFFAOYSA-N 0 2 418.830 3.522 20 5 HHBDLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2)n1 ZINC000760357684 1072275786 /nfs/dbraw/zinc/27/57/86/1072275786.db2.gz XTXZNBHVQFWMOY-UHFFFAOYSA-N 0 2 402.407 3.609 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1F ZINC000760356819 1072274849 /nfs/dbraw/zinc/27/48/49/1072274849.db2.gz SUHZEWIQBTXPBE-UHFFFAOYSA-N 0 2 423.447 3.879 20 5 HHBDLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc2)n1 ZINC000760365096 1072292794 /nfs/dbraw/zinc/29/27/94/1072292794.db2.gz HWBZPVGLWKJKFG-UHFFFAOYSA-N 0 2 418.406 3.734 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000479125715 1072735749 /nfs/dbraw/zinc/73/57/49/1072735749.db2.gz AZGAQRHQRPVBKC-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C)c([N+](=O)[O-])cc3F)cc2)n[nH]1 ZINC000590598253 1073933782 /nfs/dbraw/zinc/93/37/82/1073933782.db2.gz VUPNAPRDDRGCFP-UHFFFAOYSA-N 0 2 406.395 3.667 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000537650871 1013212024 /nfs/dbraw/zinc/21/20/24/1013212024.db2.gz MMHFIFMESZOVJD-UHFFFAOYSA-N 0 2 408.766 3.659 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000024273470 963970491 /nfs/dbraw/zinc/97/04/91/963970491.db2.gz BXQKTLQWXBXVSE-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3[nH]c([C@@H]4CCCO4)nc3c2)cc1[N+](=O)[O-] ZINC000112689015 969824525 /nfs/dbraw/zinc/82/45/25/969824525.db2.gz AEJDEBHAGAWEIO-INIZCTEOSA-N 0 2 420.422 3.571 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C)c([N+](=O)[O-])c1 ZINC000325922105 972736864 /nfs/dbraw/zinc/73/68/64/972736864.db2.gz QPAKTLRDWCJKDE-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000392433481 972852548 /nfs/dbraw/zinc/85/25/48/972852548.db2.gz DXXPYQGDKVHTFI-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1Br ZINC000410409065 974008486 /nfs/dbraw/zinc/00/84/86/974008486.db2.gz UBCRVZFAAYDCFM-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN Cc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])noc1-c1ccccc1F ZINC000433144260 979096752 /nfs/dbraw/zinc/09/67/52/979096752.db2.gz BPLOWSIQOSIRKA-UHFFFAOYSA-N 0 2 405.407 3.682 20 5 HHBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000435877711 981074233 /nfs/dbraw/zinc/07/42/33/981074233.db2.gz UIANZEOTVKNBLF-UHFFFAOYSA-N 0 2 416.462 3.664 20 5 HHBDLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000436616273 981476603 /nfs/dbraw/zinc/47/66/03/981476603.db2.gz DJVSZFZGWYWCFO-UHFFFAOYSA-N 0 2 424.413 3.694 20 5 HHBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccc(Br)cc1 ZINC000436618650 981477832 /nfs/dbraw/zinc/47/78/32/981477832.db2.gz MDTWYQUFOJJRAL-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000436802322 981568668 /nfs/dbraw/zinc/56/86/68/981568668.db2.gz BPOKKROXOOZBTR-CQSZACIVSA-N 0 2 420.263 3.780 20 5 HHBDLN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436867651 981597133 /nfs/dbraw/zinc/59/71/33/981597133.db2.gz DRBBQJQMOXXGAU-CYBMUJFWSA-N 0 2 400.435 3.665 20 5 HHBDLN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C3)cs1 ZINC000436893180 981604036 /nfs/dbraw/zinc/60/40/36/981604036.db2.gz OGRPNXCVORUJON-UHFFFAOYSA-N 0 2 401.469 3.992 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000436926674 981628736 /nfs/dbraw/zinc/62/87/36/981628736.db2.gz OHLQUXBVTCZCPH-UHFFFAOYSA-N 0 2 421.247 3.747 20 5 HHBDLN CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436963845 981651105 /nfs/dbraw/zinc/65/11/05/981651105.db2.gz HRTLRDQBSQSENR-UHFFFAOYSA-N 0 2 424.457 3.628 20 5 HHBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)=N1 ZINC000437461998 982094197 /nfs/dbraw/zinc/09/41/97/982094197.db2.gz MLRCQZBBJOPQRU-UHFFFAOYSA-N 0 2 410.405 3.738 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1[N+](=O)[O-] ZINC000437669398 982285358 /nfs/dbraw/zinc/28/53/58/982285358.db2.gz DEJFQXXLJRNHOU-UHFFFAOYSA-N 0 2 423.447 3.975 20 5 HHBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2Br)c2cccnc21 ZINC000462382785 985366094 /nfs/dbraw/zinc/36/60/94/985366094.db2.gz DOXJDNFZZSRKKA-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)o3)cc2c1 ZINC000443161068 985417387 /nfs/dbraw/zinc/41/73/87/985417387.db2.gz RKMZSFTZTDRKNX-UHFFFAOYSA-N 0 2 414.399 3.809 20 5 HHBDLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc([N+](=O)[O-])c(C)c4)o3)cc2c1 ZINC000443161956 985418266 /nfs/dbraw/zinc/41/82/66/985418266.db2.gz WLVMOLVYEDLDED-UHFFFAOYSA-N 0 2 414.399 3.809 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000468529954 986235127 /nfs/dbraw/zinc/23/51/27/986235127.db2.gz ICWWCTOSXVCDKO-LLVKDONJSA-N 0 2 414.867 3.771 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c2ncccc12 ZINC000463515918 986492764 /nfs/dbraw/zinc/49/27/64/986492764.db2.gz LKGOGTPLYARXTP-UHFFFAOYSA-N 0 2 423.410 3.526 20 5 HHBDLN CN(C)c1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463518563 986496007 /nfs/dbraw/zinc/49/60/07/986496007.db2.gz RRPIYVRYVMBQTL-UHFFFAOYSA-N 0 2 406.851 3.663 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccc(C)cc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000468905296 986612066 /nfs/dbraw/zinc/61/20/66/986612066.db2.gz JIIJXUBBJHEHOK-UHFFFAOYSA-N 0 2 420.365 3.654 20 5 HHBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444670256 986853480 /nfs/dbraw/zinc/85/34/80/986853480.db2.gz GHMAJPIZJPNQNV-UHFFFAOYSA-N 0 2 417.375 3.997 20 5 HHBDLN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(Br)cc3O)n2)c1 ZINC000445576150 987641343 /nfs/dbraw/zinc/64/13/43/987641343.db2.gz UDCSJFMKXJKQKT-UHFFFAOYSA-N 0 2 406.192 3.712 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c2ncccc12 ZINC000464412402 988582736 /nfs/dbraw/zinc/58/27/36/988582736.db2.gz RXYXVSXWPKJAJW-UHFFFAOYSA-N 0 2 404.473 3.669 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000472435914 993437694 /nfs/dbraw/zinc/43/76/94/993437694.db2.gz ZGDSAHBJRQJREA-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c(C(F)(F)F)c1 ZINC000481859407 994717203 /nfs/dbraw/zinc/71/72/03/994717203.db2.gz XCHGPYVKTFWGGM-UHFFFAOYSA-N 0 2 420.350 3.526 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1[N+](=O)[O-] ZINC000486094009 998541927 /nfs/dbraw/zinc/54/19/27/998541927.db2.gz VIKQFLKJHQGMST-UHFFFAOYSA-N 0 2 416.459 3.713 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000486547545 998819086 /nfs/dbraw/zinc/81/90/86/998819086.db2.gz HDSQKTOVMMJDHJ-UHFFFAOYSA-N 0 2 412.880 3.819 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Br ZINC000488338514 999447274 /nfs/dbraw/zinc/44/72/74/999447274.db2.gz WFSXRTNYTPVNBV-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN COCc1cccc2sc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])nc21 ZINC000479607921 999498510 /nfs/dbraw/zinc/49/85/10/999498510.db2.gz UMIASBGZJOQDOE-UHFFFAOYSA-N 0 2 407.473 3.769 20 5 HHBDLN COc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc([N+](=O)[O-])c1C ZINC000480092248 999715051 /nfs/dbraw/zinc/71/50/51/999715051.db2.gz XPNNJACFIHEUJN-UHFFFAOYSA-N 0 2 404.835 3.758 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1F ZINC000480208429 999745796 /nfs/dbraw/zinc/74/57/96/999745796.db2.gz JBLPACITPDBIRS-UHFFFAOYSA-N 0 2 423.205 3.628 20 5 HHBDLN Cc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)s2)o1 ZINC000490363056 999944970 /nfs/dbraw/zinc/94/49/70/999944970.db2.gz HMKNIXWCFUUPHP-UHFFFAOYSA-N 0 2 410.415 3.966 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1 ZINC000505279914 1000666994 /nfs/dbraw/zinc/66/69/94/1000666994.db2.gz HCMHTFRARFHVIB-UHFFFAOYSA-N 0 2 410.757 3.990 20 5 HHBDLN O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505786673 1001023541 /nfs/dbraw/zinc/02/35/41/1001023541.db2.gz DQNLDYCNMOYBDH-UHFFFAOYSA-N 0 2 423.391 3.714 20 5 HHBDLN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1c1ccc2c(c1)OCCO2 ZINC000498577068 1001990439 /nfs/dbraw/zinc/99/04/39/1001990439.db2.gz VUPRHGWZQSICMF-NRFANRHFSA-N 0 2 419.393 3.843 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000507314683 1001994559 /nfs/dbraw/zinc/99/45/59/1001994559.db2.gz PNSAKPYUIPNPPP-UHFFFAOYSA-N 0 2 416.459 3.849 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1[N+](=O)[O-] ZINC000507317596 1001997034 /nfs/dbraw/zinc/99/70/34/1001997034.db2.gz XGFGBYHARLHRFG-UHFFFAOYSA-N 0 2 416.459 3.849 20 5 HHBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507938764 1002472632 /nfs/dbraw/zinc/47/26/32/1002472632.db2.gz OXNJKBBHMRNWPP-LBPRGKRZSA-N 0 2 410.320 3.845 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000509569245 1003951435 /nfs/dbraw/zinc/95/14/35/1003951435.db2.gz BPZXNLXDDLIGSG-UHFFFAOYSA-N 0 2 407.231 3.720 20 5 HHBDLN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000511029372 1004987681 /nfs/dbraw/zinc/98/76/81/1004987681.db2.gz LPPPHJGZHZWWSB-LURJTMIESA-N 0 2 412.201 3.614 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000534056986 1006028041 /nfs/dbraw/zinc/02/80/41/1006028041.db2.gz SDHPZESGYDOPNA-HNNXBMFYSA-N 0 2 424.240 3.851 20 5 HHBDLN COc1ccc(-c2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)cs2)cc1OC ZINC000534803619 1006808207 /nfs/dbraw/zinc/80/82/07/1006808207.db2.gz WKKWVKCKYHPUGG-UHFFFAOYSA-N 0 2 415.427 3.622 20 5 HHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2cnn(Cc3cccs3)c2n1 ZINC000538870988 1007150034 /nfs/dbraw/zinc/15/00/34/1007150034.db2.gz ITTZZODILFHKFJ-UHFFFAOYSA-N 0 2 409.427 3.716 20 5 HHBDLN COc1ccc(-c2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cs2)cc1OC ZINC000538872687 1007151879 /nfs/dbraw/zinc/15/18/79/1007151879.db2.gz MQZSNDOPJNJCLA-UHFFFAOYSA-N 0 2 401.400 3.693 20 5 HHBDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1C ZINC000533464512 1007774708 /nfs/dbraw/zinc/77/47/08/1007774708.db2.gz KAVNGUWGMQOGGB-UHFFFAOYSA-N 0 2 417.365 3.681 20 5 HHBDLN CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])oc21 ZINC000519890414 1009056379 /nfs/dbraw/zinc/05/63/79/1009056379.db2.gz YNTSLJYSUDKNPT-NSHDSACASA-N 0 2 408.407 3.918 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2cccs2)c1 ZINC000544098601 1009708531 /nfs/dbraw/zinc/70/85/31/1009708531.db2.gz MKBNIMORYCMFGR-UHFFFAOYSA-N 0 2 418.452 3.911 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1-c1cc(C)ccn1 ZINC000546885329 1009845001 /nfs/dbraw/zinc/84/50/01/1009845001.db2.gz DGEOCKZPXOVJQP-UHFFFAOYSA-N 0 2 415.475 3.546 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnc3ccccc3c2)c1 ZINC000521801093 1010629106 /nfs/dbraw/zinc/62/91/06/1010629106.db2.gz XAERVLHITOTIHB-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 ZINC000541786095 1012656714 /nfs/dbraw/zinc/65/67/14/1012656714.db2.gz XPRCZXNXTDBCBQ-LBPRGKRZSA-N 0 2 424.548 3.701 20 5 HHBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1Br ZINC000760361400 1072278813 /nfs/dbraw/zinc/27/88/13/1072278813.db2.gz FKSWNGPPBJLFAT-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c1F ZINC000760365775 1072294104 /nfs/dbraw/zinc/29/41/04/1072294104.db2.gz RLPDPECFTDJGLW-UHFFFAOYSA-N 0 2 418.406 3.771 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000542236571 1013193844 /nfs/dbraw/zinc/19/38/44/1013193844.db2.gz NDDKTDPUGYVPEF-UHFFFAOYSA-N 0 2 424.434 3.753 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(F)c1 ZINC000542237525 1013196616 /nfs/dbraw/zinc/19/66/16/1013196616.db2.gz ZPGMMMBZMBDXTJ-UHFFFAOYSA-N 0 2 404.423 3.673 20 5 HHBDLN O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 ZINC000024034853 963928805 /nfs/dbraw/zinc/92/88/05/963928805.db2.gz RHKUKKNGPNDBEO-FQEVSTJZSA-N 0 2 405.366 3.800 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000028791228 965184683 /nfs/dbraw/zinc/18/46/83/965184683.db2.gz LQPPHGSHCTZCQG-UHFFFAOYSA-N 0 2 420.443 3.836 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542728034 1013640016 /nfs/dbraw/zinc/64/00/16/1013640016.db2.gz XFZRYLNZUAGQQR-UHFFFAOYSA-N 0 2 419.850 3.519 20 5 HHBDLN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000041616030 966604656 /nfs/dbraw/zinc/60/46/56/966604656.db2.gz GLHRHSJAEGSGSX-UHFFFAOYSA-N 0 2 415.427 3.900 20 5 HHBDLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000062930354 966743112 /nfs/dbraw/zinc/74/31/12/966743112.db2.gz FFSUULWPFFKXGY-UHFFFAOYSA-N 0 2 414.867 3.773 20 5 HHBDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000148501486 970363318 /nfs/dbraw/zinc/36/33/18/970363318.db2.gz YCAUFXRLWKUFTG-UHFFFAOYSA-N 0 2 404.231 3.661 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000321769290 972694727 /nfs/dbraw/zinc/69/47/27/972694727.db2.gz SPLAMVKIKLPAQQ-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000410410798 974009398 /nfs/dbraw/zinc/00/93/98/974009398.db2.gz YTQHTLVTUSALCX-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430950815 977909362 /nfs/dbraw/zinc/90/93/62/977909362.db2.gz IZNFXRNSKZILAI-UHFFFAOYSA-N 0 2 411.262 3.612 20 5 HHBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@@H](c1ccccc1)C(F)(F)F ZINC000432306679 978754869 /nfs/dbraw/zinc/75/48/69/978754869.db2.gz IUWIDIFVQNXADC-LBPRGKRZSA-N 0 2 406.357 3.748 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000435135013 980666347 /nfs/dbraw/zinc/66/63/47/980666347.db2.gz LKAXBADZPOKJCV-UHFFFAOYSA-N 0 2 424.841 3.991 20 5 HHBDLN COc1cc(CCC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc(OC)c1 ZINC000436949577 981639965 /nfs/dbraw/zinc/63/99/65/981639965.db2.gz LDVYHTRWCBJAQS-UHFFFAOYSA-N 0 2 414.458 3.803 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436966618 981653602 /nfs/dbraw/zinc/65/36/02/981653602.db2.gz NXTAIQDOTYNCMN-ZDUSSCGKSA-N 0 2 412.377 3.509 20 5 HHBDLN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436982625 981666135 /nfs/dbraw/zinc/66/61/35/981666135.db2.gz XUCRYUNFNQXINH-UHFFFAOYSA-N 0 2 421.812 3.584 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000437001363 981678381 /nfs/dbraw/zinc/67/83/81/981678381.db2.gz OXMIRSKAZULCDB-VIFPVBQESA-N 0 2 401.366 3.796 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1[N+](=O)[O-] ZINC000437163453 981813702 /nfs/dbraw/zinc/81/37/02/981813702.db2.gz GPUDXIZYAYLXDW-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000437181100 981838484 /nfs/dbraw/zinc/83/84/84/981838484.db2.gz GHMHMJSRDZQCPA-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000437187035 981843254 /nfs/dbraw/zinc/84/32/54/981843254.db2.gz WRTAAHBJLHNKPX-UHFFFAOYSA-N 0 2 422.463 3.539 20 5 HHBDLN COc1ccc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000439045901 983225516 /nfs/dbraw/zinc/22/55/16/983225516.db2.gz ZJGLLSQAXLULEI-UHFFFAOYSA-N 0 2 410.430 3.548 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)c1 ZINC000442215273 984734518 /nfs/dbraw/zinc/73/45/18/984734518.db2.gz ONUBNLPLALQMRJ-UHFFFAOYSA-N 0 2 412.349 3.600 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000468829318 986538572 /nfs/dbraw/zinc/53/85/72/986538572.db2.gz FDLXEHOUCKKKEU-UHFFFAOYSA-N 0 2 416.440 3.969 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccc1[N+](=O)[O-] ZINC000468861082 986570732 /nfs/dbraw/zinc/57/07/32/986570732.db2.gz FFDGLKGYTGOHNQ-UHFFFAOYSA-N 0 2 423.447 3.591 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)ccc1[N+](=O)[O-] ZINC000468980355 986685631 /nfs/dbraw/zinc/68/56/31/986685631.db2.gz MWSLHWTXOMFYEN-UHFFFAOYSA-N 0 2 400.840 3.845 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1-c1ncco1 ZINC000463776095 986766324 /nfs/dbraw/zinc/76/63/24/986766324.db2.gz FCXCEDACULENOW-UHFFFAOYSA-N 0 2 410.411 3.907 20 5 HHBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444837735 986995064 /nfs/dbraw/zinc/99/50/64/986995064.db2.gz UPNPSRWYVLYXIP-UHFFFAOYSA-N 0 2 416.462 3.664 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000471501660 989698914 /nfs/dbraw/zinc/69/89/14/989698914.db2.gz VDTVTXSPKRTQDG-UHFFFAOYSA-N 0 2 418.500 3.881 20 5 HHBDLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000471508807 989707237 /nfs/dbraw/zinc/70/72/37/989707237.db2.gz RYSHFGHVOZHXRU-HNNXBMFYSA-N 0 2 404.473 3.789 20 5 HHBDLN O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000481594810 994441883 /nfs/dbraw/zinc/44/18/83/994441883.db2.gz GRPCULXSFGRURX-QGZVFWFLSA-N 0 2 407.829 3.660 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(-c2ccc(Cl)s2)on1 ZINC000481894349 994764143 /nfs/dbraw/zinc/76/41/43/994764143.db2.gz ZTGOZCVIQPVBIY-UHFFFAOYSA-N 0 2 413.864 3.949 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000474409334 995376206 /nfs/dbraw/zinc/37/62/06/995376206.db2.gz ILTKDEBJWAIAFM-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484138701 996593096 /nfs/dbraw/zinc/59/30/96/996593096.db2.gz TTZPAXBCRIHBAV-UHFFFAOYSA-N 0 2 409.427 3.642 20 5 HHBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000485027118 997391748 /nfs/dbraw/zinc/39/17/48/997391748.db2.gz VDVKOODOTJPSPI-UHFFFAOYSA-N 0 2 416.484 3.908 20 5 HHBDLN Cc1cccc(F)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000485397619 997826485 /nfs/dbraw/zinc/82/64/85/997826485.db2.gz XFCDCHZFSWJFFD-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000479170294 999307509 /nfs/dbraw/zinc/30/75/09/999307509.db2.gz PEIJABCDDPUVRY-BQYQJAHWSA-N 0 2 406.445 3.573 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000488292203 999426183 /nfs/dbraw/zinc/42/61/83/999426183.db2.gz YJOVSJZBCBHSPQ-UHFFFAOYSA-N 0 2 416.402 3.860 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000488424050 999482924 /nfs/dbraw/zinc/48/29/24/999482924.db2.gz CANQQOMKHKTTRH-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000488693230 999575404 /nfs/dbraw/zinc/57/54/04/999575404.db2.gz LOHUPIZMQYAZBJ-UHFFFAOYSA-N 0 2 419.485 3.517 20 5 HHBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000480221821 999749004 /nfs/dbraw/zinc/74/90/04/999749004.db2.gz IVFPUSDAHGBCJG-VIFPVBQESA-N 0 2 417.285 3.634 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491571449 1000084385 /nfs/dbraw/zinc/08/43/85/1000084385.db2.gz DOIIESFYOHCIAD-UHFFFAOYSA-N 0 2 424.438 3.948 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000491571968 1000084623 /nfs/dbraw/zinc/08/46/23/1000084623.db2.gz JKJBCSOQVIVPNU-QGZVFWFLSA-N 0 2 416.459 3.740 20 5 HHBDLN COc1c(S(=O)(=O)Nc2cccc(F)c2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491604596 1000089182 /nfs/dbraw/zinc/08/91/82/1000089182.db2.gz NSBYFAALUODNLI-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000505293913 1000677937 /nfs/dbraw/zinc/67/79/37/1000677937.db2.gz OEBSQSJBSPAKNR-UHFFFAOYSA-N 0 2 408.329 3.784 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507638874 1002240482 /nfs/dbraw/zinc/24/04/82/1002240482.db2.gz UXUVUPXDCCUJAF-UHFFFAOYSA-N 0 2 415.399 3.952 20 5 HHBDLN CSc1cccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000509205416 1003623502 /nfs/dbraw/zinc/62/35/02/1003623502.db2.gz JDBNJIPFFXAJBG-UHFFFAOYSA-N 0 2 404.473 3.612 20 5 HHBDLN CC(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000534162291 1006145549 /nfs/dbraw/zinc/14/55/49/1006145549.db2.gz CEKIUCRJFDHOHO-UHFFFAOYSA-N 0 2 406.283 3.738 20 5 HHBDLN CSc1cccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000515015791 1006250049 /nfs/dbraw/zinc/25/00/49/1006250049.db2.gz YOLHVEHYJSXNLG-UHFFFAOYSA-N 0 2 418.294 3.583 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc43)o2)cc1 ZINC000515175386 1006324423 /nfs/dbraw/zinc/32/44/23/1006324423.db2.gz LJPAYQPPWGWKMF-UHFFFAOYSA-N 0 2 410.411 3.523 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000515313521 1006386075 /nfs/dbraw/zinc/38/60/75/1006386075.db2.gz LXZGBRPEMQRUEQ-UHFFFAOYSA-N 0 2 404.835 3.840 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1[N+](=O)[O-] ZINC000539856043 1008143308 /nfs/dbraw/zinc/14/33/08/1008143308.db2.gz OUQZZADMFIMIER-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN COc1ccc(Br)cc1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000540212047 1008337843 /nfs/dbraw/zinc/33/78/43/1008337843.db2.gz LTMMHAPESRBALD-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN COc1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1[N+](=O)[O-] ZINC000545910708 1008992160 /nfs/dbraw/zinc/99/21/60/1008992160.db2.gz DTCLXPGVQMBXOT-UHFFFAOYSA-N 0 2 422.228 3.877 20 5 HHBDLN O=C(Nc1nc(-c2ccc(Br)cn2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000549820394 1009430526 /nfs/dbraw/zinc/43/05/26/1009430526.db2.gz BMYUKHVWHRAZPF-UHFFFAOYSA-N 0 2 421.232 3.834 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000521144606 1010172369 /nfs/dbraw/zinc/17/23/69/1010172369.db2.gz TURYSTAHALBFIC-UHFFFAOYSA-N 0 2 424.438 3.948 20 5 HHBDLN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536312814 1011506517 /nfs/dbraw/zinc/50/65/17/1011506517.db2.gz XSVCTABWQJCAIU-UHFFFAOYSA-N 0 2 400.822 3.938 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000536413919 1011627679 /nfs/dbraw/zinc/62/76/79/1011627679.db2.gz IGSJLQJZYAUNSH-UHFFFAOYSA-N 0 2 421.656 3.826 20 5 HHBDLN COCc1cccc2sc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])nc21 ZINC000523458578 1011961511 /nfs/dbraw/zinc/96/15/11/1011961511.db2.gz MPCIRWJRZYNIHT-UHFFFAOYSA-N 0 2 413.864 3.805 20 5 HHBDLN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541585564 1012376254 /nfs/dbraw/zinc/37/62/54/1012376254.db2.gz CJCFXJXQSHIKFS-JRUMVTRASA-N 0 2 415.490 3.596 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)s[nH]2)c1 ZINC000541762055 1012624762 /nfs/dbraw/zinc/62/47/62/1012624762.db2.gz NVKNJRTWSFCFTB-GFCCVEGCSA-N 0 2 413.459 3.735 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000537393719 1012876429 /nfs/dbraw/zinc/87/64/29/1012876429.db2.gz FIDHPXMFEOLZEK-UHFFFAOYSA-N 0 2 404.366 3.954 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000537396923 1012879793 /nfs/dbraw/zinc/87/97/93/1012879793.db2.gz NOUKTQVWTZCTCY-UHFFFAOYSA-N 0 2 421.475 3.766 20 5 HHBDLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000479145086 1072766732 /nfs/dbraw/zinc/76/67/32/1072766732.db2.gz ZNKIRJNSHFTZKT-AWEZNQCLSA-N 0 2 419.503 3.908 20 5 HHBDLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000479145086 1072766746 /nfs/dbraw/zinc/76/67/46/1072766746.db2.gz ZNKIRJNSHFTZKT-AWEZNQCLSA-N 0 2 419.503 3.908 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1 ZINC000602093000 1075698521 /nfs/dbraw/zinc/69/85/21/1075698521.db2.gz CSYXSLLHBXPUCM-UHFFFAOYSA-N 0 2 411.411 3.721 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000007709354 961293395 /nfs/dbraw/zinc/29/33/95/961293395.db2.gz QEBXLMRTTYKUAN-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)sc2c1 ZINC000010342326 961795704 /nfs/dbraw/zinc/79/57/04/961795704.db2.gz ZZOJTKFQPOYURM-UHFFFAOYSA-N 0 2 419.362 3.904 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000537769454 1013332051 /nfs/dbraw/zinc/33/20/51/1013332051.db2.gz HPSMCKDOXLDFKL-LZQZEXGQSA-N 0 2 409.442 3.712 20 5 HHBDLN O=C1c2ccccc2N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCCO2 ZINC000021360522 963455195 /nfs/dbraw/zinc/45/51/95/963455195.db2.gz JMWSVTUKZLVNKV-NRFANRHFSA-N 0 2 419.393 3.843 20 5 HHBDLN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000542516010 1013459121 /nfs/dbraw/zinc/45/91/21/1013459121.db2.gz IKYQCVZTCRQYLB-SFHVURJKSA-N 0 2 405.410 3.800 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000050534525 964348965 /nfs/dbraw/zinc/34/89/65/964348965.db2.gz VYLYKNNXMYZHGL-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000028809247 965188034 /nfs/dbraw/zinc/18/80/34/965188034.db2.gz UEIHTYVLWMBDFC-UHFFFAOYSA-N 0 2 412.514 3.883 20 5 HHBDLN O=C(Nc1ccccc1)C(=Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000028912058 965213908 /nfs/dbraw/zinc/21/39/08/965213908.db2.gz GQQHMNPZSFOECL-UHFFFAOYSA-N 0 2 403.394 3.961 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000057126417 965300829 /nfs/dbraw/zinc/30/08/29/965300829.db2.gz GNJHWVUYVUIMPM-UHFFFAOYSA-N 0 2 415.427 3.900 20 5 HHBDLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc21 ZINC000538016154 1013588468 /nfs/dbraw/zinc/58/84/68/1013588468.db2.gz XJGSQOMGAGQCMK-UHFFFAOYSA-N 0 2 417.487 3.702 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058704924 965852571 /nfs/dbraw/zinc/85/25/71/965852571.db2.gz MDKLRNAWCHUOIH-UHFFFAOYSA-N 0 2 412.471 3.769 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000055584815 965939255 /nfs/dbraw/zinc/93/92/55/965939255.db2.gz XIMFBDQKGWIXPI-UHFFFAOYSA-N 0 2 400.840 3.845 20 5 HHBDLN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055619477 965966659 /nfs/dbraw/zinc/96/66/59/965966659.db2.gz JDZULQWJELRMHL-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1C ZINC000060442370 966145204 /nfs/dbraw/zinc/14/52/04/966145204.db2.gz LMZVLZCWMJGTHH-UHFFFAOYSA-N 0 2 405.476 3.997 20 5 HHBDLN O=C(Nc1cccc(F)c1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000069474650 968836212 /nfs/dbraw/zinc/83/62/12/968836212.db2.gz OTLCMGYCDJBODD-UHFFFAOYSA-N 0 2 415.402 3.787 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000315738486 972646349 /nfs/dbraw/zinc/64/63/49/972646349.db2.gz LITONKNJSBCSRV-UHFFFAOYSA-N 0 2 406.645 3.515 20 5 HHBDLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000392793928 972857795 /nfs/dbraw/zinc/85/77/95/972857795.db2.gz QPHZJVUWVSOJJY-UHFFFAOYSA-N 0 2 404.853 3.514 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000409584235 973033886 /nfs/dbraw/zinc/03/38/86/973033886.db2.gz XRDHQPXQEZEWTQ-UHFFFAOYSA-N 0 2 410.496 3.653 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000409597065 973044785 /nfs/dbraw/zinc/04/47/85/973044785.db2.gz UTNDWXFTJFJDHO-UHFFFAOYSA-N 0 2 406.851 3.602 20 5 HHBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cccc1-c1ncco1 ZINC000427307087 975040861 /nfs/dbraw/zinc/04/08/61/975040861.db2.gz FIMKECJYTABYGD-UHFFFAOYSA-N 0 2 410.411 3.907 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427352993 975072236 /nfs/dbraw/zinc/07/22/36/975072236.db2.gz UZQAMSVBEIVYAO-UHFFFAOYSA-N 0 2 408.329 3.996 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432358813 978776914 /nfs/dbraw/zinc/77/69/14/978776914.db2.gz QGONWOBYKAWLGY-UHFFFAOYSA-N 0 2 409.420 3.667 20 5 HHBDLN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3O)n2)c(F)c1 ZINC000436887040 981601781 /nfs/dbraw/zinc/60/17/81/981601781.db2.gz IOZKMGOLBIPDAI-UHFFFAOYSA-N 0 2 416.390 3.774 20 5 HHBDLN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436919702 981623786 /nfs/dbraw/zinc/62/37/86/981623786.db2.gz DHXBMYWRNOPWSS-OAHLLOKOSA-N 0 2 424.240 3.851 20 5 HHBDLN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436952022 981641990 /nfs/dbraw/zinc/64/19/90/981641990.db2.gz UHZWYYNQUJELIC-UHFFFAOYSA-N 0 2 407.430 3.846 20 5 HHBDLN O=C(Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436978715 981662856 /nfs/dbraw/zinc/66/28/56/981662856.db2.gz IZZBKUCYPVSCJV-UHFFFAOYSA-N 0 2 412.789 3.853 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000437168133 981820580 /nfs/dbraw/zinc/82/05/80/981820580.db2.gz VKXOVVINLSUMOO-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c(F)c1 ZINC000437174384 981830167 /nfs/dbraw/zinc/83/01/67/981830167.db2.gz CELZVWBOZIRLAP-UHFFFAOYSA-N 0 2 400.457 3.509 20 5 HHBDLN Cc1[nH+]cn(-c2ccc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc2)c1C ZINC000461188815 982906307 /nfs/dbraw/zinc/90/63/07/982906307.db2.gz UEQIXIFFJLIQRJ-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)o3)cc2c1 ZINC000443162246 985418213 /nfs/dbraw/zinc/41/82/13/985418213.db2.gz OZRVQNBJDBMEJO-UHFFFAOYSA-N 0 2 414.399 3.809 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463506604 986482384 /nfs/dbraw/zinc/48/23/84/986482384.db2.gz LBLWYHFXVAOGIW-UHFFFAOYSA-N 0 2 423.454 3.746 20 5 HHBDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000468835377 986545445 /nfs/dbraw/zinc/54/54/45/986545445.db2.gz DREJCFKIZSNFOM-UHFFFAOYSA-N 0 2 402.432 3.836 20 5 HHBDLN CCCCOc1ccc(OC)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468864842 986573153 /nfs/dbraw/zinc/57/31/53/986573153.db2.gz HAMSBLHMWNYZCB-UHFFFAOYSA-N 0 2 410.448 3.592 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000468959992 986663206 /nfs/dbraw/zinc/66/32/06/986663206.db2.gz MMGUFWQBMSRDAJ-UHFFFAOYSA-N 0 2 416.440 3.969 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c2ncccc12 ZINC000464407253 988576334 /nfs/dbraw/zinc/57/63/34/988576334.db2.gz AHAKSLPOXWFIFL-UHFFFAOYSA-N 0 2 419.469 3.524 20 5 HHBDLN C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2C1 ZINC000464407719 988576350 /nfs/dbraw/zinc/57/63/50/988576350.db2.gz HAMLOIZVTIOQBQ-SNVBAGLBSA-N 0 2 404.473 3.525 20 5 HHBDLN Cc1cccc2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)nc21 ZINC000464421348 988592758 /nfs/dbraw/zinc/59/27/58/988592758.db2.gz QMALESGOTVALRL-UHFFFAOYSA-N 0 2 400.441 3.862 20 5 HHBDLN COCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000466427436 991716294 /nfs/dbraw/zinc/71/62/94/991716294.db2.gz ZNHFXJWEAKLIRY-UHFFFAOYSA-N 0 2 404.366 3.603 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000481968664 994857856 /nfs/dbraw/zinc/85/78/56/994857856.db2.gz AZQCNRYZJIHIQZ-QGZVFWFLSA-N 0 2 416.459 3.740 20 5 HHBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1-c1ccc(Cl)cc1 ZINC000483229661 996049690 /nfs/dbraw/zinc/04/96/90/996049690.db2.gz ZCOCMQWBBQAFNR-UHFFFAOYSA-N 0 2 423.820 3.780 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000483435121 996177271 /nfs/dbraw/zinc/17/72/71/996177271.db2.gz CEORDNOSJCETLV-LLVKDONJSA-N 0 2 410.352 3.569 20 5 HHBDLN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483443278 996182342 /nfs/dbraw/zinc/18/23/42/996182342.db2.gz LOBCFKPZJJVBIY-UHFFFAOYSA-N 0 2 405.414 3.684 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475837135 996405106 /nfs/dbraw/zinc/40/51/06/996405106.db2.gz WBSYDIKHKMVMKZ-JTQLQIEISA-N 0 2 418.830 3.602 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] ZINC000484639460 996975346 /nfs/dbraw/zinc/97/53/46/996975346.db2.gz MFVLLJCHSMMYGK-UHFFFAOYSA-N 0 2 421.656 3.826 20 5 HHBDLN CN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000484858645 997221054 /nfs/dbraw/zinc/22/10/54/997221054.db2.gz URWCZNCSZUUSJH-APPDUMDISA-N 0 2 424.240 3.765 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000477435716 998131401 /nfs/dbraw/zinc/13/14/01/998131401.db2.gz LPWCHKSWRWRHDM-UHFFFAOYSA-N 0 2 403.416 3.676 20 5 HHBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478313075 998881121 /nfs/dbraw/zinc/88/11/21/998881121.db2.gz KASFKRZMJGCSCA-VIFPVBQESA-N 0 2 405.386 3.777 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1[N+](=O)[O-] ZINC000488300394 999429485 /nfs/dbraw/zinc/42/94/85/999429485.db2.gz RPYMUVNNDRAUKG-UHFFFAOYSA-N 0 2 414.459 3.519 20 5 HHBDLN CC(C)(C)c1nc(=NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)s[nH]1 ZINC000488301596 999430300 /nfs/dbraw/zinc/43/03/00/999430300.db2.gz QZSYYVJUYUWWOL-UHFFFAOYSA-N 0 2 403.386 3.506 20 5 HHBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000480078565 999711306 /nfs/dbraw/zinc/71/13/06/999711306.db2.gz XSDIPIWTFKBZMM-UHFFFAOYSA-N 0 2 417.878 3.895 20 5 HHBDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])cc2)n[nH]1 ZINC000480224024 999749462 /nfs/dbraw/zinc/74/94/62/999749462.db2.gz LGXFDKFZKSHJHF-UHFFFAOYSA-N 0 2 402.432 3.836 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(F)ccc1Br ZINC000490396997 999950779 /nfs/dbraw/zinc/95/07/79/999950779.db2.gz ITOBXFIYAGIZHA-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2ccc(Br)cc2)n1 ZINC000490607107 999983394 /nfs/dbraw/zinc/98/33/94/999983394.db2.gz OLSXXIMTVYUWSJ-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n(Cc2ccccc2)n1 ZINC000493176634 1000161378 /nfs/dbraw/zinc/16/13/78/1000161378.db2.gz AULDXKUZGLYPGM-UHFFFAOYSA-N 0 2 400.460 3.566 20 5 HHBDLN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)cc1 ZINC000504535670 1000255999 /nfs/dbraw/zinc/25/59/99/1000255999.db2.gz DUPUPMHIWJZYNV-UHFFFAOYSA-N 0 2 407.382 3.814 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)ccc1[N+](=O)[O-] ZINC000494447332 1000496455 /nfs/dbraw/zinc/49/64/55/1000496455.db2.gz YYQFGWOKJALWDQ-UHFFFAOYSA-N 0 2 417.321 3.564 20 5 HHBDLN O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506322674 1001353750 /nfs/dbraw/zinc/35/37/50/1001353750.db2.gz BTBJLJSXVVHVRE-HXUWFJFHSA-N 0 2 423.494 3.891 20 5 HHBDLN O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506322674 1001353755 /nfs/dbraw/zinc/35/37/55/1001353755.db2.gz BTBJLJSXVVHVRE-HXUWFJFHSA-N 0 2 423.494 3.891 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2csc3ccccc32)c(C)c([N+](=O)[O-])c1 ZINC000507988082 1002517270 /nfs/dbraw/zinc/51/72/70/1002517270.db2.gz WTGVJPPGAOWNMT-UHFFFAOYSA-N 0 2 406.441 3.705 20 5 HHBDLN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508521971 1003001802 /nfs/dbraw/zinc/00/18/02/1003001802.db2.gz YOYPIGNUTYISCO-UHFFFAOYSA-N 0 2 402.410 3.628 20 5 HHBDLN COc1ccc(-c2csc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])n2)cc1OC ZINC000511814915 1003785715 /nfs/dbraw/zinc/78/57/15/1003785715.db2.gz SQKYKBZCMVHAGQ-UHFFFAOYSA-N 0 2 401.400 3.693 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000509535900 1003929839 /nfs/dbraw/zinc/92/98/39/1003929839.db2.gz GYUQTJWPIYSQBT-UHFFFAOYSA-N 0 2 407.231 3.720 20 5 HHBDLN COc1ccc(Nc2ncccc2NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000502472076 1005085887 /nfs/dbraw/zinc/08/58/87/1005085887.db2.gz IICAOZJRZFGSKY-UHFFFAOYSA-N 0 2 414.443 3.851 20 5 HHBDLN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000502706461 1005186406 /nfs/dbraw/zinc/18/64/06/1005186406.db2.gz QTPPRHDBCSYNSF-JTQLQIEISA-N 0 2 404.835 3.595 20 5 HHBDLN C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Sc1ccc(Br)cc1 ZINC000511710189 1005287121 /nfs/dbraw/zinc/28/71/21/1005287121.db2.gz KHXPTIOLHWYVBW-JTQLQIEISA-N 0 2 411.277 3.974 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000531211715 1006050134 /nfs/dbraw/zinc/05/01/34/1006050134.db2.gz MNYWDNOBEFAYEO-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c(C(F)(F)F)c1 ZINC000534171402 1006154692 /nfs/dbraw/zinc/15/46/92/1006154692.db2.gz OMHVSIMRNZXFHH-UHFFFAOYSA-N 0 2 412.349 3.805 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(I)cc1Cl ZINC000538871470 1007149973 /nfs/dbraw/zinc/14/99/73/1007149973.db2.gz HRVSLDPAKSUHFW-UHFFFAOYSA-N 0 2 418.574 3.811 20 5 HHBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000535249599 1007301916 /nfs/dbraw/zinc/30/19/16/1007301916.db2.gz ZAVKUQNXVXZWLQ-LLVKDONJSA-N 0 2 408.263 3.936 20 5 HHBDLN CCOc1ccccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000517485258 1007709546 /nfs/dbraw/zinc/70/95/46/1007709546.db2.gz VYSIVALQZUMFSX-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000518858158 1008448479 /nfs/dbraw/zinc/44/84/79/1008448479.db2.gz CVKRLUSQYQIQCU-UHFFFAOYSA-N 0 2 411.439 3.701 20 5 HHBDLN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000550186162 1009761227 /nfs/dbraw/zinc/76/12/27/1009761227.db2.gz CANHOWFMORDJLK-UHFFFAOYSA-N 0 2 419.260 3.858 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn(-c2ccc(Br)cc2)cn1 ZINC000536199116 1011343927 /nfs/dbraw/zinc/34/39/27/1011343927.db2.gz VIUCZIDNWWFYBR-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)CSC ZINC000522902812 1011347501 /nfs/dbraw/zinc/34/75/01/1011347501.db2.gz KBVZADGQIBWOQG-LBPRGKRZSA-N 0 2 411.505 3.568 20 5 HHBDLN CCN1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000552140566 1012160222 /nfs/dbraw/zinc/16/02/22/1012160222.db2.gz MYMSJDMEVRJFOS-SJLPKXTDSA-N 0 2 407.829 3.658 20 5 HHBDLN CCN1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552140564 1012160822 /nfs/dbraw/zinc/16/08/22/1012160822.db2.gz MYMSJDMEVRJFOS-AEFFLSMTSA-N 0 2 407.829 3.658 20 5 HHBDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])=N2)cc1 ZINC000552716272 1012726473 /nfs/dbraw/zinc/72/64/73/1012726473.db2.gz HMFCVLWGIMYNIX-UHFFFAOYSA-N 0 2 408.458 3.924 20 5 HHBDLN O=C(Nc1cnc(-c2ccc(Br)s2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC001299832320 1072016120 /nfs/dbraw/zinc/01/61/20/1072016120.db2.gz OFPJOHVXTXJILH-UHFFFAOYSA-N 0 2 421.232 3.834 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)cc1[N+](=O)[O-] ZINC000488224931 1072146069 /nfs/dbraw/zinc/14/60/69/1072146069.db2.gz BEDFJONCKXHWDB-UHFFFAOYSA-N 0 2 418.830 3.984 20 5 HHBDLN Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)cc2)nn1 ZINC000760361817 1072278378 /nfs/dbraw/zinc/27/83/78/1072278378.db2.gz VVAQEYZOKCXMNI-UHFFFAOYSA-N 0 2 418.406 3.734 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1[C@H](C)CC[C@H]1C ZINC000301893336 971102373 /nfs/dbraw/zinc/10/23/73/971102373.db2.gz MRXPVFFKAOWPDL-ZIAGYGMSSA-N 0 2 405.476 3.781 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000007708758 961292444 /nfs/dbraw/zinc/29/24/44/961292444.db2.gz FIUIOGCKVBWLTP-UHFFFAOYSA-N 0 2 408.766 3.659 20 5 HHBDLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016147612 962962155 /nfs/dbraw/zinc/96/21/55/962962155.db2.gz PLDBOTHYYYYBQL-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN CCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1OCCC ZINC000023392965 963816374 /nfs/dbraw/zinc/81/63/74/963816374.db2.gz XTJYBQNXSOMOMR-UHFFFAOYSA-N 0 2 424.475 3.982 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c(Cl)c1 ZINC000055583846 965937505 /nfs/dbraw/zinc/93/75/05/965937505.db2.gz JKLASVZMBRRFBM-OAHLLOKOSA-N 0 2 412.851 3.607 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000542713790 1013625977 /nfs/dbraw/zinc/62/59/77/1013625977.db2.gz JXUHFKSKVYURKP-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN COc1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] ZINC000542931369 1013766349 /nfs/dbraw/zinc/76/63/49/1013766349.db2.gz BHEGTQHOSWPTOH-UHFFFAOYSA-N 0 2 422.850 3.552 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000071977779 968919820 /nfs/dbraw/zinc/91/98/20/968919820.db2.gz PDUYYGKZXAXNST-UHFFFAOYSA-N 0 2 406.851 3.602 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000109022214 969451480 /nfs/dbraw/zinc/45/14/80/969451480.db2.gz LMCZFHTZBOPHQU-MRXNPFEDSA-N 0 2 422.850 3.777 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1Br ZINC000390036840 972818726 /nfs/dbraw/zinc/81/87/26/972818726.db2.gz GTYNCOBGNFZDOY-UHFFFAOYSA-N 0 2 420.672 3.823 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1ccc(F)cc1 ZINC000409519674 972975127 /nfs/dbraw/zinc/97/51/27/972975127.db2.gz IKXLOQCBPDXLAR-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000409584205 973033521 /nfs/dbraw/zinc/03/35/21/973033521.db2.gz XGSRGEHRUFRRJI-UHFFFAOYSA-N 0 2 410.496 3.653 20 5 HHBDLN COc1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)c1 ZINC000410354523 973946286 /nfs/dbraw/zinc/94/62/86/973946286.db2.gz OPWXHAQKUZLQNR-UHFFFAOYSA-N 0 2 400.416 3.543 20 5 HHBDLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)c1 ZINC000431331179 978215829 /nfs/dbraw/zinc/21/58/29/978215829.db2.gz ZRCNFLMCXWPVQW-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(SC)CC1 ZINC000432817902 978984298 /nfs/dbraw/zinc/98/42/98/978984298.db2.gz HRZJRHYJLBPIDP-UHFFFAOYSA-N 0 2 423.516 3.712 20 5 HHBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000432952598 979021409 /nfs/dbraw/zinc/02/14/09/979021409.db2.gz YEUCBYIPDBIUIH-UHFFFAOYSA-N 0 2 418.406 3.603 20 5 HHBDLN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436958904 981647895 /nfs/dbraw/zinc/64/78/95/981647895.db2.gz ARQOZVKOKMFLAQ-UHFFFAOYSA-N 0 2 413.430 3.578 20 5 HHBDLN Cc1c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2nn1C ZINC000461337179 983026176 /nfs/dbraw/zinc/02/61/76/983026176.db2.gz ZSWQESAKGMXNDI-UHFFFAOYSA-N 0 2 414.365 3.610 20 5 HHBDLN C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000438790553 983072652 /nfs/dbraw/zinc/07/26/52/983072652.db2.gz LBNFOVSUMPSHJA-SNVBAGLBSA-N 0 2 421.335 3.805 20 5 HHBDLN CCOc1ccccc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438805846 983082542 /nfs/dbraw/zinc/08/25/42/983082542.db2.gz CEOWJHYNUOFUDW-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440275691 983704289 /nfs/dbraw/zinc/70/42/89/983704289.db2.gz KRCQMLKRCRAJLM-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)cc1C ZINC000442229144 984748122 /nfs/dbraw/zinc/74/81/22/984748122.db2.gz LSAVSGKSPRFKBR-RTBURBONSA-N 0 2 420.487 3.695 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2O)c1 ZINC000442237014 984757457 /nfs/dbraw/zinc/75/74/57/984757457.db2.gz NHRPIDPCHYUCCL-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463112216 986074336 /nfs/dbraw/zinc/07/43/36/986074336.db2.gz TZTBZGZQFOIJSS-UHFFFAOYSA-N 0 2 418.620 3.629 20 5 HHBDLN CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000443949052 986156309 /nfs/dbraw/zinc/15/63/09/986156309.db2.gz WJHYZMPDCVYQAZ-HQJQHLMTSA-N 0 2 408.320 3.869 20 5 HHBDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1Cl ZINC000463427999 986398952 /nfs/dbraw/zinc/39/89/52/986398952.db2.gz CQKUFKHITQSYEW-UHFFFAOYSA-N 0 2 415.830 3.763 20 5 HHBDLN O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469637684 987296054 /nfs/dbraw/zinc/29/60/54/987296054.db2.gz OMDLZCUSDDLORX-UHFFFAOYSA-N 0 2 403.394 3.756 20 5 HHBDLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464415987 988587459 /nfs/dbraw/zinc/58/74/59/988587459.db2.gz DGUBNXHVPPNMOS-CYBMUJFWSA-N 0 2 403.464 3.747 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000481062902 993903087 /nfs/dbraw/zinc/90/30/87/993903087.db2.gz VSLIWCQITJRCEW-UHFFFAOYSA-N 0 2 424.548 3.701 20 5 HHBDLN Cc1c(Br)scc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000482966122 995886865 /nfs/dbraw/zinc/88/68/65/995886865.db2.gz VPIBLEGQUBWQAJ-UHFFFAOYSA-N 0 2 408.237 3.765 20 5 HHBDLN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483431257 996174908 /nfs/dbraw/zinc/17/49/08/996174908.db2.gz AOMMWTSXJZPWCT-GFCCVEGCSA-N 0 2 424.500 3.603 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000483432278 996175624 /nfs/dbraw/zinc/17/56/24/996175624.db2.gz HQNAXUIXHISRBT-UHFFFAOYSA-N 0 2 410.283 3.896 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475796940 996376841 /nfs/dbraw/zinc/37/68/41/996376841.db2.gz KQBPHJGXWWQUEG-UHFFFAOYSA-N 0 2 423.344 3.518 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)cc1C ZINC000484617061 996949728 /nfs/dbraw/zinc/94/97/28/996949728.db2.gz LSAVSGKSPRFKBR-RBUKOAKNSA-N 0 2 420.487 3.695 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486091191 998538377 /nfs/dbraw/zinc/53/83/77/998538377.db2.gz PECIJLCTCKXYOZ-UHFFFAOYSA-N 0 2 416.459 3.713 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1[N+](=O)[O-] ZINC000486556280 998824247 /nfs/dbraw/zinc/82/42/47/998824247.db2.gz FMPDBUCZQRJQPS-UHFFFAOYSA-N 0 2 412.880 3.819 20 5 HHBDLN CC[C@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613975 998857840 /nfs/dbraw/zinc/85/78/40/998857840.db2.gz CDDGSUVUZQBJRR-JGVFFNPUSA-N 0 2 422.294 3.573 20 5 HHBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486613975 998857843 /nfs/dbraw/zinc/85/78/43/998857843.db2.gz CDDGSUVUZQBJRR-JGVFFNPUSA-N 0 2 422.294 3.573 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(S(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000486803213 998947136 /nfs/dbraw/zinc/94/71/36/998947136.db2.gz QJQSTQLJKJCELR-UHFFFAOYSA-N 0 2 422.434 3.555 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000488273265 999419350 /nfs/dbraw/zinc/41/93/50/999419350.db2.gz PNMNWFMLURLADE-UHFFFAOYSA-N 0 2 403.391 3.605 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)ccc1[N+](=O)[O-] ZINC000488412500 999479814 /nfs/dbraw/zinc/47/98/14/999479814.db2.gz DFZIXHGVMGDKCZ-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1cccc(C)c1 ZINC000480231994 999751761 /nfs/dbraw/zinc/75/17/61/999751761.db2.gz RYCLMBYDTCJLOQ-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1-c1ccccc1C ZINC000480232160 999751764 /nfs/dbraw/zinc/75/17/64/999751764.db2.gz SOWWTNLYJCDFPZ-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Br)cc1F ZINC000490394596 999950571 /nfs/dbraw/zinc/95/05/71/999950571.db2.gz CRQIDYJHBCWUQL-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN C[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092235 1001802289 /nfs/dbraw/zinc/80/22/89/1001802289.db2.gz ZYLHFXMLXNLPAZ-KZULUSFZSA-N 0 2 407.829 3.516 20 5 HHBDLN C[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092235 1001802299 /nfs/dbraw/zinc/80/22/99/1001802299.db2.gz ZYLHFXMLXNLPAZ-KZULUSFZSA-N 0 2 407.829 3.516 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000507310403 1001990527 /nfs/dbraw/zinc/99/05/27/1001990527.db2.gz CENDCSOXARWDLI-UHFFFAOYSA-N 0 2 416.459 3.849 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c1C ZINC000507637167 1002238984 /nfs/dbraw/zinc/23/89/84/1002238984.db2.gz QQXRMFNXRXQGLX-UHFFFAOYSA-N 0 2 404.444 3.756 20 5 HHBDLN COc1cc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000507654943 1002254155 /nfs/dbraw/zinc/25/41/55/1002254155.db2.gz YMGLLWFTBLOETE-AWEZNQCLSA-N 0 2 423.425 3.774 20 5 HHBDLN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509495817 1003904585 /nfs/dbraw/zinc/90/45/85/1003904585.db2.gz ZPKQWAXAQFRSBN-UHFFFAOYSA-N 0 2 409.373 3.622 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccn3)cc2C)c([N+](=O)[O-])c1 ZINC000509577328 1003956571 /nfs/dbraw/zinc/95/65/71/1003956571.db2.gz LXLOEKDHPFWODB-UHFFFAOYSA-N 0 2 400.416 3.595 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1CNc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000512609274 1004422964 /nfs/dbraw/zinc/42/29/64/1004422964.db2.gz HWYFTKNJTGEVJG-UHFFFAOYSA-N 0 2 404.473 3.773 20 5 HHBDLN Cc1c(Br)cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000512808744 1004572306 /nfs/dbraw/zinc/57/23/06/1004572306.db2.gz FSRFDQCLNOQNMJ-UHFFFAOYSA-N 0 2 420.198 3.842 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000511742371 1005302300 /nfs/dbraw/zinc/30/23/00/1005302300.db2.gz PMMXURNREAWERD-MRXNPFEDSA-N 0 2 406.460 3.652 20 5 HHBDLN COc1ccc2oc([C@H](C)NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c(C)c2c1 ZINC000517373073 1007606671 /nfs/dbraw/zinc/60/66/71/1007606671.db2.gz KXIMUPVQKVACCT-NSHDSACASA-N 0 2 408.407 3.837 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c(Br)c1 ZINC000535622150 1007623728 /nfs/dbraw/zinc/62/37/28/1007623728.db2.gz ZQBPYESUXHSPMC-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c(C(F)(F)F)c1 ZINC000533464349 1007775071 /nfs/dbraw/zinc/77/50/71/1007775071.db2.gz KDBXTUTUWNLIJZ-UHFFFAOYSA-N 0 2 412.349 3.600 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(-c3cccnc3)nc3ccccn32)c1 ZINC000543640966 1009245171 /nfs/dbraw/zinc/24/51/71/1009245171.db2.gz AOTTYOCYGLOFBF-UHFFFAOYSA-N 0 2 423.454 3.722 20 5 HHBDLN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cccc(Br)c1O ZINC000520716828 1009785307 /nfs/dbraw/zinc/78/53/07/1009785307.db2.gz CWPSZWGPQCMRER-UHFFFAOYSA-N 0 2 403.192 3.705 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000520768376 1009838145 /nfs/dbraw/zinc/83/81/45/1009838145.db2.gz AKFMCLWAJKCVDL-QGZVFWFLSA-N 0 2 420.487 3.906 20 5 HHBDLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000536699642 1011869188 /nfs/dbraw/zinc/86/91/88/1011869188.db2.gz IYRKPJBOALWSJL-UHFFFAOYSA-N 0 2 405.476 3.576 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2sc(C)nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000536892493 1012145671 /nfs/dbraw/zinc/14/56/71/1012145671.db2.gz FVBQDJUUNQNYCX-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)c(Br)c1 ZINC000541539813 1012323348 /nfs/dbraw/zinc/32/33/48/1012323348.db2.gz KBUQIXGMNHLEQD-UHFFFAOYSA-N 0 2 423.248 3.548 20 5 HHBDLN O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541588321 1012379777 /nfs/dbraw/zinc/37/97/77/1012379777.db2.gz AAJRUVNCCALDFK-UHFFFAOYSA-N 0 2 418.409 3.868 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cnn1-c1ccccc1F ZINC000541790898 1012663503 /nfs/dbraw/zinc/66/35/03/1012663503.db2.gz NJGHJMACJALRKW-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000524147561 1012934947 /nfs/dbraw/zinc/93/49/47/1012934947.db2.gz VPZGNIPNPUTSPO-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)(C)C1 ZINC000301464991 970942788 /nfs/dbraw/zinc/94/27/88/970942788.db2.gz LDGDVJVQOUXBGV-UHFFFAOYSA-N 0 2 405.476 3.641 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC000302925790 971399656 /nfs/dbraw/zinc/39/96/56/971399656.db2.gz BLWDUGBRLHRLJF-UHFFFAOYSA-N 0 2 424.438 3.743 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1[N+](=O)[O-] ZINC000537653171 1013215013 /nfs/dbraw/zinc/21/50/13/1013215013.db2.gz IGJLUGQMVSXZDO-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537769036 1013331768 /nfs/dbraw/zinc/33/17/68/1013331768.db2.gz BHZOVCDKXUKGTP-QFIPXVFZSA-N 0 2 421.453 3.776 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000542516278 1013459220 /nfs/dbraw/zinc/45/92/20/1013459220.db2.gz PWTOSBFKSHKBKA-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000057121292 965292516 /nfs/dbraw/zinc/29/25/16/965292516.db2.gz UAGYDAJVBDFFIK-LLVKDONJSA-N 0 2 411.867 3.577 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000055586248 965940509 /nfs/dbraw/zinc/94/05/09/965940509.db2.gz SSPNMMQVIPMZET-UHFFFAOYSA-N 0 2 405.432 3.843 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000055619492 965966365 /nfs/dbraw/zinc/96/63/65/965966365.db2.gz RGWBTDHDJTWJJM-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1C ZINC000065223646 967411074 /nfs/dbraw/zinc/41/10/74/967411074.db2.gz YWBPKGGPZACTNO-UHFFFAOYSA-N 0 2 414.443 3.903 20 5 HHBDLN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000065223767 967412492 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HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000409592836 973040526 /nfs/dbraw/zinc/04/05/26/973040526.db2.gz GAWHIVRQGLKCGO-UHFFFAOYSA-N 0 2 406.851 3.602 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000410403646 974003391 /nfs/dbraw/zinc/00/33/91/974003391.db2.gz MBUXPIVYHFYFCX-UHFFFAOYSA-N 0 2 404.448 3.725 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000410407797 974007491 /nfs/dbraw/zinc/00/74/91/974007491.db2.gz ZBUFWZOAAYMLNX-UHFFFAOYSA-N 0 2 419.228 3.696 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1 ZINC000410410799 974008883 /nfs/dbraw/zinc/00/88/83/974008883.db2.gz YTXNRSFXOLKDNA-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN COc1ccc(-c2ccc(C[NH2+]Cc3nc(C)c(C(=O)[O-])s3)o2)c([N+](=O)[O-])c1 ZINC000426680410 974596523 /nfs/dbraw/zinc/59/65/23/974596523.db2.gz NLBJVZPHXULPQX-UHFFFAOYSA-N 0 2 403.416 3.616 20 5 HHBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)=N1 ZINC000427595597 975205803 /nfs/dbraw/zinc/20/58/03/975205803.db2.gz WLIULNSGKFAHRK-UHFFFAOYSA-N 0 2 410.405 3.738 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CC(F)(F)C1 ZINC000428675939 975968361 /nfs/dbraw/zinc/96/83/61/975968361.db2.gz NMQIEFPPNRPGOD-UHFFFAOYSA-N 0 2 413.402 3.614 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccccc3OC(F)F)sc2c1 ZINC000430074773 977308915 /nfs/dbraw/zinc/30/89/15/977308915.db2.gz IMMALGQAGDHTSQ-UHFFFAOYSA-N 0 2 401.372 3.607 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)ccc1[N+](=O)[O-] ZINC000432351585 978772622 /nfs/dbraw/zinc/77/26/22/978772622.db2.gz OOMVJICODMBYHX-UHFFFAOYSA-N 0 2 409.420 3.667 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432368123 978780573 /nfs/dbraw/zinc/78/05/73/978780573.db2.gz KPKJKFHQHORPEM-UHFFFAOYSA-N 0 2 407.448 3.842 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1 ZINC000432539084 978873745 /nfs/dbraw/zinc/87/37/45/978873745.db2.gz TZWGZRLCPRDBPU-INIZCTEOSA-N 0 2 416.484 3.715 20 5 HHBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432936193 979016084 /nfs/dbraw/zinc/01/60/84/979016084.db2.gz FADQJTHWTTWPKL-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN CN(C(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)c1ccccc1 ZINC000436962896 981650333 /nfs/dbraw/zinc/65/03/33/981650333.db2.gz YGORYOIDCGXROF-UHFFFAOYSA-N 0 2 405.410 3.758 20 5 HHBDLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436975949 981660951 /nfs/dbraw/zinc/66/09/51/981660951.db2.gz AWMDAOZZYSBNLC-MAUKXSAKSA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436975949 981660957 /nfs/dbraw/zinc/66/09/57/981660957.db2.gz AWMDAOZZYSBNLC-MAUKXSAKSA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436975948 981661263 /nfs/dbraw/zinc/66/12/63/981661263.db2.gz AWMDAOZZYSBNLC-CRAIPNDOSA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000436975948 981661269 /nfs/dbraw/zinc/66/12/69/981661269.db2.gz AWMDAOZZYSBNLC-CRAIPNDOSA-N 0 2 407.829 3.658 20 5 HHBDLN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436980003 981663718 /nfs/dbraw/zinc/66/37/18/981663718.db2.gz LZQXJQDFYFMGEF-UHFFFAOYSA-N 0 2 410.411 3.561 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])s[nH]2)c1 ZINC000439187396 983299059 /nfs/dbraw/zinc/29/90/59/983299059.db2.gz CKDSCBVQEDNSOC-UHFFFAOYSA-N 0 2 424.360 3.815 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nccc(C)n3)cc2)c([N+](=O)[O-])c1 ZINC000441764625 984438695 /nfs/dbraw/zinc/43/86/95/984438695.db2.gz QUWHJAXWTILHAQ-UHFFFAOYSA-N 0 2 400.416 3.595 20 5 HHBDLN Cc1ccc2c(c1C)OC[C@@H]2NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462285463 985273328 /nfs/dbraw/zinc/27/33/28/985273328.db2.gz IOUWMIQZIORHDN-ZDUSSCGKSA-N 0 2 417.270 3.930 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000468353930 986051084 /nfs/dbraw/zinc/05/10/84/986051084.db2.gz UWQXKTSXCMJLDW-UHFFFAOYSA-N 0 2 422.459 3.607 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1OC(F)F ZINC000463498638 986474473 /nfs/dbraw/zinc/47/44/73/986474473.db2.gz GCKMUCFFKOKJOD-UHFFFAOYSA-N 0 2 409.370 3.854 20 5 HHBDLN CC(C)OCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463529728 986506763 /nfs/dbraw/zinc/50/67/63/986506763.db2.gz ZOGNNSSYGOTEJB-UHFFFAOYSA-N 0 2 401.444 3.869 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c2ncccc12 ZINC000463785011 986775311 /nfs/dbraw/zinc/77/53/11/986775311.db2.gz CXGKAXBWVDINCD-UHFFFAOYSA-N 0 2 410.411 3.962 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c2ncccc12 ZINC000464403288 988569694 /nfs/dbraw/zinc/56/96/94/988569694.db2.gz GEXSBHIYXDSWEG-UHFFFAOYSA-N 0 2 422.394 3.832 20 5 HHBDLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464426168 988598176 /nfs/dbraw/zinc/59/81/76/988598176.db2.gz ISYLTYJDSJLTDW-UHFFFAOYSA-N 0 2 403.464 3.639 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)c1C ZINC000481605642 994457041 /nfs/dbraw/zinc/45/70/41/994457041.db2.gz OMBLKNBZCMVJSW-UHFFFAOYSA-N 0 2 413.455 3.986 20 5 HHBDLN COc1ccc(Br)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000473772852 994693085 /nfs/dbraw/zinc/69/30/85/994693085.db2.gz MIBWRNOQWKZYIC-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000481940414 994816503 /nfs/dbraw/zinc/81/65/03/994816503.db2.gz FRIVLIMKCJARLW-UHFFFAOYSA-N 0 2 415.427 3.516 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000481968661 994858152 /nfs/dbraw/zinc/85/81/52/994858152.db2.gz AZQCNRYZJIHIQZ-KRWDZBQOSA-N 0 2 416.459 3.740 20 5 HHBDLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481972409 994865008 /nfs/dbraw/zinc/86/50/08/994865008.db2.gz 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COc1c(F)cc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)cc1[N+](=O)[O-] ZINC000488269497 999417636 /nfs/dbraw/zinc/41/76/36/999417636.db2.gz UPOFNNCPNABPRW-UHFFFAOYSA-N 0 2 423.447 3.975 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1[N+](=O)[O-] ZINC000480193102 999741291 /nfs/dbraw/zinc/74/12/91/999741291.db2.gz DFSHWXNOANLSEI-UHFFFAOYSA-N 0 2 420.487 3.879 20 5 HHBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000480231072 999751478 /nfs/dbraw/zinc/75/14/78/999751478.db2.gz NCIRTZVDBWPXML-UHFFFAOYSA-N 0 2 417.878 3.895 20 5 HHBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c2c(n1)onc2C(C)C ZINC000490396926 999950810 /nfs/dbraw/zinc/95/08/10/999950810.db2.gz IDUHAKPEJSGFFH-UHFFFAOYSA-N 0 2 407.390 3.600 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000491551074 1000083088 /nfs/dbraw/zinc/08/30/88/1000083088.db2.gz ZSUCBAASNDTXCR-UHFFFAOYSA-N 0 2 423.205 3.628 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 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O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000511687056 1005276465 /nfs/dbraw/zinc/27/64/65/1005276465.db2.gz JWJWNCRIKWKFAN-AWEZNQCLSA-N 0 2 412.851 3.607 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504046351 1005539977 /nfs/dbraw/zinc/53/99/77/1005539977.db2.gz ZNRQYDZZPURERH-UHFFFAOYSA-N 0 2 408.766 3.659 20 5 HHBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000538754043 1007039287 /nfs/dbraw/zinc/03/92/87/1007039287.db2.gz VIHJPJSEKCPMOL-UHFFFAOYSA-N 0 2 415.265 3.613 20 5 HHBDLN Cc1nc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2n1C ZINC000532620236 1007044199 /nfs/dbraw/zinc/04/41/99/1007044199.db2.gz KTIYMSQNUIHPOI-UHFFFAOYSA-N 0 2 414.365 3.610 20 5 HHBDLN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)nnc1-c1cccc(C)c1 ZINC000538872333 1007150693 /nfs/dbraw/zinc/15/06/93/1007150693.db2.gz VJTIOYXQUYKYGR-UHFFFAOYSA-N 0 2 413.459 3.618 20 5 HHBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000549238001 1008808339 /nfs/dbraw/zinc/80/83/39/1008808339.db2.gz FBDTXFRJYHNSSL-UHFFFAOYSA-N 0 2 417.878 3.895 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1cc(C)ccn1 ZINC000546181507 1009212092 /nfs/dbraw/zinc/21/20/92/1009212092.db2.gz VDSZYDFNRJHASX-UHFFFAOYSA-N 0 2 415.475 3.546 20 5 HHBDLN CCCn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(=O)OC)cc21 ZINC000544095294 1009704323 /nfs/dbraw/zinc/70/43/23/1009704323.db2.gz SVWAJOWPKNXFSL-UHFFFAOYSA-N 0 2 417.443 3.547 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000544408023 1010027911 /nfs/dbraw/zinc/02/79/11/1010027911.db2.gz AEYGMECHYIGVPH-CQSZACIVSA-N 0 2 424.240 3.851 20 5 HHBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521280357 1010274634 /nfs/dbraw/zinc/27/46/34/1010274634.db2.gz RWCVRAGATLATRP-UHFFFAOYSA-N 0 2 419.228 3.696 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c(Cl)c1 ZINC000523186933 1011671798 /nfs/dbraw/zinc/67/17/98/1011671798.db2.gz DUMSDXIHZNZOQF-UHFFFAOYSA-N 0 2 419.850 3.712 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000523286758 1011766962 /nfs/dbraw/zinc/76/69/62/1011766962.db2.gz MJASZRLZBLSHEC-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])=N2)c1 ZINC000552350520 1012360330 /nfs/dbraw/zinc/36/03/30/1012360330.db2.gz FLDYDNCDNVDOST-UHFFFAOYSA-N 0 2 408.458 3.924 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1 ZINC000479154849 1072778266 /nfs/dbraw/zinc/77/82/66/1072778266.db2.gz KSGODVBCNSRWNU-UHFFFAOYSA-N 0 2 414.827 3.707 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000571913759 1072872406 /nfs/dbraw/zinc/87/24/06/1072872406.db2.gz PSEXYGNMYKFEGL-JTQLQIEISA-N 0 2 420.365 3.734 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1Br ZINC000783955479 1072891168 /nfs/dbraw/zinc/89/11/68/1072891168.db2.gz MPTKEQGLWKHAEG-UHFFFAOYSA-N 0 2 406.645 3.515 20 5 HHBDLN 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403.232 3.906 20 5 HHBDLN COc1cc(C[NH2+]Cc2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426686755 974599045 /nfs/dbraw/zinc/59/90/45/974599045.db2.gz HBAWFIZFXLKISG-UHFFFAOYSA-N 0 2 412.398 3.763 20 5 HHBDLN O=C(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000426960079 974780150 /nfs/dbraw/zinc/78/01/50/974780150.db2.gz OAATYEFAZDAZOP-UHFFFAOYSA-N 0 2 415.409 3.860 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1F ZINC000430045480 977294461 /nfs/dbraw/zinc/29/44/61/977294461.db2.gz KVQRGSMHVUTEJT-UHFFFAOYSA-N 0 2 412.786 3.547 20 5 HHBDLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000432188230 978705733 /nfs/dbraw/zinc/70/57/33/978705733.db2.gz SXTVUVMFRQRMEI-UHFFFAOYSA-N 0 2 422.850 3.970 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432368970 978781381 /nfs/dbraw/zinc/78/13/81/978781381.db2.gz PBBUEPZWPZSHJX-UHFFFAOYSA-N 0 2 409.420 3.667 20 5 HHBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 ZINC000433156034 979105297 /nfs/dbraw/zinc/10/52/97/979105297.db2.gz HQPUJQUDUNANTN-UHFFFAOYSA-N 0 2 404.835 3.814 20 5 HHBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)=N1 ZINC000434192290 979958592 /nfs/dbraw/zinc/95/85/92/979958592.db2.gz WVUVJVNJXBWBNG-UHFFFAOYSA-N 0 2 412.421 3.984 20 5 HHBDLN COc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1C ZINC000435729971 981006481 /nfs/dbraw/zinc/00/64/81/981006481.db2.gz CGHXKIZBMZKFQW-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436628877 981482591 /nfs/dbraw/zinc/48/25/91/981482591.db2.gz RWFJJZXZDPWAII-INIZCTEOSA-N 0 2 407.829 3.660 20 5 HHBDLN CCC(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1 ZINC000436652401 981493089 /nfs/dbraw/zinc/49/30/89/981493089.db2.gz MXMUEWACSVNQBR-UHFFFAOYSA-N 0 2 410.329 3.755 20 5 HHBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710643 981524866 /nfs/dbraw/zinc/52/48/66/981524866.db2.gz WZQLVWNQLPFDBL-GTNSWQLSSA-N 0 2 410.348 3.921 20 5 HHBDLN CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436989254 981671030 /nfs/dbraw/zinc/67/10/30/981671030.db2.gz NPYGMYIFAUSDBH-UHFFFAOYSA-N 0 2 424.457 3.628 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000436999554 981676811 /nfs/dbraw/zinc/67/68/11/981676811.db2.gz JROPSLCQURIXRN-CYBMUJFWSA-N 0 2 405.248 3.768 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)s[nH]2)c1 ZINC000437353980 982003624 /nfs/dbraw/zinc/00/36/24/982003624.db2.gz FIIVAUMYMOPYBC-UHFFFAOYSA-N 0 2 424.360 3.815 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460829909 982579846 /nfs/dbraw/zinc/57/98/46/982579846.db2.gz JMBSDCVTBYAHGH-UHFFFAOYSA-N 0 2 410.423 3.865 20 5 HHBDLN Cc1[nH+]cn(-c2ccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)c1C ZINC000461205723 982919637 /nfs/dbraw/zinc/91/96/37/982919637.db2.gz AYSMXZJRQIUFFG-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cnn1CCC(C)C ZINC000440837084 983930528 /nfs/dbraw/zinc/93/05/28/983930528.db2.gz XYKYVAPBJRASST-UHFFFAOYSA-N 0 2 400.888 3.908 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000442240297 984761952 /nfs/dbraw/zinc/76/19/52/984761952.db2.gz WICHMOIFSAADKV-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000442245306 984766727 /nfs/dbraw/zinc/76/67/27/984766727.db2.gz ACAQCUHRFVBVRQ-UHFFFAOYSA-N 0 2 404.423 3.673 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000468544104 986249479 /nfs/dbraw/zinc/24/94/79/986249479.db2.gz UGTXUBSTTNGUCX-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463525970 986502870 /nfs/dbraw/zinc/50/28/70/986502870.db2.gz NLCWKAMGWFZCBR-UHFFFAOYSA-N 0 2 420.834 3.556 20 5 HHBDLN COc1ccc(-c2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)s2)cc1OC ZINC000444333543 986511253 /nfs/dbraw/zinc/51/12/53/986511253.db2.gz ZSSVOJBNYQYYIP-UHFFFAOYSA-N 0 2 401.400 3.693 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1[N+](=O)[O-] ZINC000468840713 986550866 /nfs/dbraw/zinc/55/08/66/986550866.db2.gz DLSMJPVZRTZPQH-UHFFFAOYSA-N 0 2 423.447 3.591 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)ccc1[N+](=O)[O-] ZINC000468853600 986564091 /nfs/dbraw/zinc/56/40/91/986564091.db2.gz GDZAVYLUPITBJR-UHFFFAOYSA-N 0 2 422.406 3.901 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000468983524 986689794 /nfs/dbraw/zinc/68/97/94/986689794.db2.gz MUYMCWSVKHARCX-UHFFFAOYSA-N 0 2 424.438 3.948 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1 ZINC000469031675 986742251 /nfs/dbraw/zinc/74/22/51/986742251.db2.gz RQIJCBSLVILLQD-UHFFFAOYSA-N 0 2 402.413 3.660 20 5 HHBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000463790471 986781782 /nfs/dbraw/zinc/78/17/82/986781782.db2.gz YGGKYLAKXDGJNX-UHFFFAOYSA-N 0 2 405.819 3.800 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445193968 987270442 /nfs/dbraw/zinc/27/04/42/987270442.db2.gz NYVDLKKTZHZIPT-UHFFFAOYSA-N 0 2 404.476 3.936 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000470787729 988842880 /nfs/dbraw/zinc/84/28/80/988842880.db2.gz KMBQMBKLOQPOSD-UHFFFAOYSA-N 0 2 400.460 3.667 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCS1 ZINC000465055239 989379921 /nfs/dbraw/zinc/37/99/21/989379921.db2.gz KOVYTJWIFBYRBZ-CQSZACIVSA-N 0 2 423.516 3.712 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n(Cc2ccccc2)n1 ZINC000481057889 993899443 /nfs/dbraw/zinc/89/94/43/993899443.db2.gz LYHQZCJHHSSHLN-UHFFFAOYSA-N 0 2 400.460 3.566 20 5 HHBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000481551687 994385162 /nfs/dbraw/zinc/38/51/62/994385162.db2.gz KUVNNCXXEMLRRT-UHFFFAOYSA-N 0 2 404.473 3.689 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)c1C ZINC000481614502 994472467 /nfs/dbraw/zinc/47/24/67/994472467.db2.gz LJLZJLJRUZCBPW-UHFFFAOYSA-N 0 2 421.544 3.874 20 5 HHBDLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000473775554 994697095 /nfs/dbraw/zinc/69/70/95/994697095.db2.gz XZWXGEXEFVJQLN-UHFFFAOYSA-N 0 2 419.503 3.885 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000475794535 996375187 /nfs/dbraw/zinc/37/51/87/996375187.db2.gz VGGBSLTYMZPILL-UHFFFAOYSA-N 0 2 411.155 3.575 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000476191656 996667825 /nfs/dbraw/zinc/66/78/25/996667825.db2.gz NBOIOOHQAARUTE-UHFFFAOYSA-N 0 2 401.322 3.864 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc1[N+](=O)[O-] ZINC000476240173 996698947 /nfs/dbraw/zinc/69/89/47/996698947.db2.gz VPHZFWHYWQLCBC-UHFFFAOYSA-N 0 2 401.322 3.864 20 5 HHBDLN Cc1c(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cccc1[N+](=O)[O-] ZINC000484348259 996719479 /nfs/dbraw/zinc/71/94/79/996719479.db2.gz VXXBMNFZJWSNLS-UHFFFAOYSA-N 0 2 403.851 3.819 20 5 HHBDLN CCCCOc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 ZINC000476811541 997365878 /nfs/dbraw/zinc/36/58/78/997365878.db2.gz YDFITHITSYQJTL-UHFFFAOYSA-N 0 2 422.459 3.654 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000485287196 997684703 /nfs/dbraw/zinc/68/47/03/997684703.db2.gz SOFZFRJPFHMYTE-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1F ZINC000479543807 999469789 /nfs/dbraw/zinc/46/97/89/999469789.db2.gz PDTQUEMHIKAOAB-UHFFFAOYSA-N 0 2 408.329 3.871 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1-c1cccc(C)c1 ZINC000480221432 999748926 /nfs/dbraw/zinc/74/89/26/999748926.db2.gz HWVBJRTUFOTTDR-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490360136 999944433 /nfs/dbraw/zinc/94/44/33/999944433.db2.gz CEDKYLYSSZIQCO-NSHDSACASA-N 0 2 401.810 3.748 20 5 HHBDLN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490367490 999945694 /nfs/dbraw/zinc/94/56/94/999945694.db2.gz MCOWFAFXZLOIJK-JTQLQIEISA-N 0 2 421.335 3.805 20 5 HHBDLN O=C(Nc1cccc(S(=O)(=O)C2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000491876687 1000098963 /nfs/dbraw/zinc/09/89/63/1000098963.db2.gz SSRIXIVMKVQRGP-UHFFFAOYSA-N 0 2 404.444 3.659 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000493033707 1000154863 /nfs/dbraw/zinc/15/48/63/1000154863.db2.gz OQBRJSJWQVXUPC-UHFFFAOYSA-N 0 2 423.454 3.722 20 5 HHBDLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)sc2c1 ZINC000493164343 1000160777 /nfs/dbraw/zinc/16/07/77/1000160777.db2.gz ZNGWHRARWGCXGI-UHFFFAOYSA-N 0 2 420.472 3.581 20 5 HHBDLN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000497097286 1001269568 /nfs/dbraw/zinc/26/95/68/1001269568.db2.gz LEBAEWOXYUQLFD-UHFFFAOYSA-N 0 2 420.198 3.842 20 5 HHBDLN Cc1cccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497933589 1001570366 /nfs/dbraw/zinc/57/03/66/1001570366.db2.gz DQQTVKKISFDZGN-GOSISDBHSA-N 0 2 401.419 3.505 20 5 HHBDLN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507202767 1001890994 /nfs/dbraw/zinc/89/09/94/1001890994.db2.gz KXIUHJXZPSWURW-UHFFFAOYSA-N 0 2 409.373 3.622 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000507307968 1001987643 /nfs/dbraw/zinc/98/76/43/1001987643.db2.gz ZWTQTQZEKCHGLG-UHFFFAOYSA-N 0 2 419.484 3.893 20 5 HHBDLN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1c1ccc2c(c1)OCO2 ZINC000498576617 1001990622 /nfs/dbraw/zinc/99/06/22/1001990622.db2.gz LHZPXQUIBDPSRT-HXUWFJFHSA-N 0 2 405.366 3.800 20 5 HHBDLN O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507714850 1002305064 /nfs/dbraw/zinc/30/50/64/1002305064.db2.gz BWNFLGYHSPFLTH-UHFFFAOYSA-N 0 2 402.300 3.970 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000509098580 1003551057 /nfs/dbraw/zinc/55/10/57/1003551057.db2.gz UOGGCIIIDJFDFR-CYBMUJFWSA-N 0 2 412.377 3.509 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000512352231 1004239153 /nfs/dbraw/zinc/23/91/53/1004239153.db2.gz HSSJKTZJNVURST-UHFFFAOYSA-N 0 2 424.891 3.606 20 5 HHBDLN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000511122989 1005030592 /nfs/dbraw/zinc/03/05/92/1005030592.db2.gz RRXAVBZMWCRVAM-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN O=C(Nc1cc(Br)cc(Cl)c1O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000534940500 1006979982 /nfs/dbraw/zinc/97/99/82/1006979982.db2.gz HVRWXMQXFAHROO-UHFFFAOYSA-N 0 2 411.599 3.845 20 5 HHBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000538753982 1007039622 /nfs/dbraw/zinc/03/96/22/1007039622.db2.gz RSURYZODWPADAA-UHFFFAOYSA-N 0 2 421.258 3.857 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cncc3ccccc32)c1 ZINC000535388017 1007454443 /nfs/dbraw/zinc/45/44/43/1007454443.db2.gz YIDHXTFYAOSOBX-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Br)cc(Cl)c1O ZINC000535616881 1007622131 /nfs/dbraw/zinc/62/21/31/1007622131.db2.gz NAIOZEPDWWQVEM-UHFFFAOYSA-N 0 2 421.656 3.826 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000518281012 1008237306 /nfs/dbraw/zinc/23/73/06/1008237306.db2.gz ZHUYZHQMJIWSOH-UHFFFAOYSA-N 0 2 415.481 3.973 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cnn1-c1ccccc1 ZINC000518602192 1008361600 /nfs/dbraw/zinc/36/16/00/1008361600.db2.gz JDMATQGYTZSAIF-UHFFFAOYSA-N 0 2 416.459 3.542 20 5 HHBDLN COc1ccccc1[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000518667048 1008385023 /nfs/dbraw/zinc/38/50/23/1008385023.db2.gz PGBPRFVYSVPCPN-IBGZPJMESA-N 0 2 416.430 3.810 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000518858194 1008448504 /nfs/dbraw/zinc/44/85/04/1008448504.db2.gz GBFLSBSNKABQFK-UHFFFAOYSA-N 0 2 411.439 3.701 20 5 HHBDLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000519623509 1008934228 /nfs/dbraw/zinc/93/42/28/1008934228.db2.gz VHVSREACXGGFFH-UHFFFAOYSA-N 0 2 412.833 3.944 20 5 HHBDLN Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)cc2o1 ZINC000519862854 1009040142 /nfs/dbraw/zinc/04/01/42/1009040142.db2.gz MQWLUEFLYALTTD-UHFFFAOYSA-N 0 2 401.322 3.864 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1C ZINC000544097237 1009706585 /nfs/dbraw/zinc/70/65/85/1009706585.db2.gz WBOUWGFAHCWXDT-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c(C)c1C ZINC000522738790 1011186945 /nfs/dbraw/zinc/18/69/45/1011186945.db2.gz USUQEICKHHIOTE-UHFFFAOYSA-N 0 2 416.459 3.515 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000536193855 1011335698 /nfs/dbraw/zinc/33/56/98/1011335698.db2.gz VTDIIEHBZQJDGB-UHFFFAOYSA-N 0 2 421.182 3.640 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000536196005 1011338765 /nfs/dbraw/zinc/33/87/65/1011338765.db2.gz DHSLQLYJAKCYDF-UHFFFAOYSA-N 0 2 404.176 3.569 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2cccc(Br)c2)n1 ZINC000536299195 1011487152 /nfs/dbraw/zinc/48/71/52/1011487152.db2.gz XSUDOLGOQDHIEU-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)c(Br)c1 ZINC000536414295 1011629278 /nfs/dbraw/zinc/62/92/78/1011629278.db2.gz KQOWRPOXEQSLLQ-UHFFFAOYSA-N 0 2 414.262 3.768 20 5 HHBDLN CC(C)COc1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Cl ZINC000541251319 1011933506 /nfs/dbraw/zinc/93/35/06/1011933506.db2.gz CEPXMCKECIBRJZ-UHFFFAOYSA-N 0 2 416.825 3.715 20 5 HHBDLN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000523520149 1012046151 /nfs/dbraw/zinc/04/61/51/1012046151.db2.gz LQNHUYMDJCJNBZ-NSHDSACASA-N 0 2 407.835 3.943 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000541586665 1012377620 /nfs/dbraw/zinc/37/76/20/1012377620.db2.gz NIFLMFJHSIFWEO-AWEZNQCLSA-N 0 2 424.240 3.851 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 ZINC000541783270 1012653058 /nfs/dbraw/zinc/65/30/58/1012653058.db2.gz CCBOSIFDPMSHKF-UHFFFAOYSA-N 0 2 409.489 3.624 20 5 HHBDLN COc1ccc(Sc2nsc(NC(=O)c3c(F)cccc3[N+](=O)[O-])n2)cc1 ZINC001126821179 1072680640 /nfs/dbraw/zinc/68/06/40/1072680640.db2.gz ILOPQGYPDYPNDM-UHFFFAOYSA-N 0 2 406.420 3.998 20 5 HHBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000479133604 1072745096 /nfs/dbraw/zinc/74/50/96/1072745096.db2.gz QVHVXYZXDCFGRY-UHFFFAOYSA-N 0 2 400.338 3.599 20 5 HHBDLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000479145087 1072766624 /nfs/dbraw/zinc/76/66/24/1072766624.db2.gz ZNKIRJNSHFTZKT-CQSZACIVSA-N 0 2 419.503 3.908 20 5 HHBDLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000479145087 1072766631 /nfs/dbraw/zinc/76/66/31/1072766631.db2.gz ZNKIRJNSHFTZKT-CQSZACIVSA-N 0 2 419.503 3.908 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000571913761 1072872417 /nfs/dbraw/zinc/87/24/17/1072872417.db2.gz PSEXYGNMYKFEGL-SNVBAGLBSA-N 0 2 420.365 3.734 20 5 HHBDLN CCc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302220464 971211085 /nfs/dbraw/zinc/21/10/85/971211085.db2.gz RTQJXOMHNDBJNK-UHFFFAOYSA-N 0 2 422.470 3.961 20 5 HHBDLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007053230 960994639 /nfs/dbraw/zinc/99/46/39/960994639.db2.gz IRDMZYYTIMGWRB-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccc(Br)cc3s2)c1 ZINC000014221747 962450170 /nfs/dbraw/zinc/45/01/70/962450170.db2.gz BTOCKTNEKJETRX-UHFFFAOYSA-N 0 2 414.262 3.768 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000057733814 965533717 /nfs/dbraw/zinc/53/37/17/965533717.db2.gz FWSXCQPQFVENGW-UHFFFAOYSA-N 0 2 403.363 3.731 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000031721485 966095995 /nfs/dbraw/zinc/09/59/95/966095995.db2.gz ZMEOLDKEKUTUIF-UHFFFAOYSA-N 0 2 400.840 3.845 20 5 HHBDLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2F)n1 ZINC000060443530 966146112 /nfs/dbraw/zinc/14/61/12/966146112.db2.gz ZFAGXRHYFCZUNX-UHFFFAOYSA-N 0 2 418.450 3.954 20 5 HHBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000034256225 966415806 /nfs/dbraw/zinc/41/58/06/966415806.db2.gz WQTSLTAMMAGEQE-UHFFFAOYSA-N 0 2 412.349 3.600 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C(F)(F)F)c1 ZINC000064375098 967160055 /nfs/dbraw/zinc/16/00/55/967160055.db2.gz FKHOWTRGZOASNQ-UHFFFAOYSA-N 0 2 420.365 3.822 20 5 HHBDLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047521891 968219665 /nfs/dbraw/zinc/21/96/65/968219665.db2.gz PPHKDSSRQNHQPF-UHFFFAOYSA-N 0 2 411.867 3.531 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000410408375 974007236 /nfs/dbraw/zinc/00/72/36/974007236.db2.gz QTZZKBMVDYJXSJ-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c([N+](=O)[O-])c1 ZINC000432350000 978771694 /nfs/dbraw/zinc/77/16/94/978771694.db2.gz YZGAYBHIUUCXTA-UHFFFAOYSA-N 0 2 409.420 3.667 20 5 HHBDLN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436861384 981596150 /nfs/dbraw/zinc/59/61/50/981596150.db2.gz UEJRKLYLNXZJOC-UHFFFAOYSA-N 0 2 400.309 3.597 20 5 HHBDLN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436947511 981639299 /nfs/dbraw/zinc/63/92/99/981639299.db2.gz FAPJFUTWAHHFCY-UHFFFAOYSA-N 0 2 411.393 3.677 20 5 HHBDLN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436950660 981641346 /nfs/dbraw/zinc/64/13/46/981641346.db2.gz NTJKLDFYGMIBJI-UHFFFAOYSA-N 0 2 416.821 3.655 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436972904 981658708 /nfs/dbraw/zinc/65/87/08/981658708.db2.gz QWCQHQNOABJWEQ-CYBMUJFWSA-N 0 2 412.377 3.509 20 5 HHBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000438342202 982733592 /nfs/dbraw/zinc/73/35/92/982733592.db2.gz QYAGXHJDDNCUFU-UHFFFAOYSA-N 0 2 413.262 3.929 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441713487 984411112 /nfs/dbraw/zinc/41/11/12/984411112.db2.gz BOLQPBCHVATDNP-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(F)c(F)cc1Br ZINC000441820992 984476475 /nfs/dbraw/zinc/47/64/75/984476475.db2.gz YIBLFTVLLBOPGL-UHFFFAOYSA-N 0 2 424.161 3.673 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1C ZINC000442249028 984770552 /nfs/dbraw/zinc/77/05/52/984770552.db2.gz IYOHOICWLPHHHA-RTBURBONSA-N 0 2 420.487 3.695 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443454043 985622714 /nfs/dbraw/zinc/62/27/14/985622714.db2.gz NNMNPZAIEQVTQE-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1 ZINC000443528186 985699008 /nfs/dbraw/zinc/69/90/08/985699008.db2.gz INFMZNKBHIPQPO-UHFFFAOYSA-N 0 2 408.329 3.866 20 5 HHBDLN COc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1[N+](=O)[O-] ZINC000463165387 986136976 /nfs/dbraw/zinc/13/69/76/986136976.db2.gz PNNRGFAFNUVUTE-UHFFFAOYSA-N 0 2 408.201 3.948 20 5 HHBDLN CC(C)OCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463515535 986492115 /nfs/dbraw/zinc/49/21/15/986492115.db2.gz QQOHYYBGBQPXSD-UHFFFAOYSA-N 0 2 401.444 3.869 20 5 HHBDLN COc1ccc(-c2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)s2)cc1OC ZINC000444367138 986544456 /nfs/dbraw/zinc/54/44/56/986544456.db2.gz ZSAOXQIDTBSQSI-UHFFFAOYSA-N 0 2 401.400 3.693 20 5 HHBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1OC(C)C ZINC000463795223 986787111 /nfs/dbraw/zinc/78/71/11/986787111.db2.gz WHWXDDJDIASBBG-UHFFFAOYSA-N 0 2 417.443 3.740 20 5 HHBDLN Cn1ccc2cccc(NS(=O)(=O)c3cc(Br)cc([N+](=O)[O-])c3)c21 ZINC000471573672 989775821 /nfs/dbraw/zinc/77/58/21/989775821.db2.gz ZKLFWIIUFSMONE-UHFFFAOYSA-N 0 2 410.249 3.650 20 5 HHBDLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481981073 994877347 /nfs/dbraw/zinc/87/73/47/994877347.db2.gz MLWPISKWZWYGGQ-UHFFFAOYSA-N 0 2 414.867 3.691 20 5 HHBDLN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483431259 996174867 /nfs/dbraw/zinc/17/48/67/996174867.db2.gz AOMMWTSXJZPWCT-LBPRGKRZSA-N 0 2 424.500 3.603 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(Cc2ccccc2)c2ccccc2c1=O ZINC000483437256 996178433 /nfs/dbraw/zinc/17/84/33/996178433.db2.gz FUAKPEMABQUDHI-UHFFFAOYSA-N 0 2 415.405 3.916 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1C ZINC000484135098 996590279 /nfs/dbraw/zinc/59/02/79/996590279.db2.gz FFKAXRMMVHNTFR-UHFFFAOYSA-N 0 2 423.454 3.951 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCSC1 ZINC000484807359 997161621 /nfs/dbraw/zinc/16/16/21/997161621.db2.gz DXPGVYQPDHAVLH-ZDUSSCGKSA-N 0 2 423.516 3.712 20 5 HHBDLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c1 ZINC000485395299 997823401 /nfs/dbraw/zinc/82/34/01/997823401.db2.gz DOAAIMARVRDQFD-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccnc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000479167041 999306353 /nfs/dbraw/zinc/30/63/53/999306353.db2.gz QHMBPDRUXNBQIO-UHFFFAOYSA-N 0 2 410.883 3.743 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC000479168437 999306946 /nfs/dbraw/zinc/30/69/46/999306946.db2.gz YEFXBJLZRDRUQU-UHFFFAOYSA-N 0 2 424.360 3.871 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000479581188 999488949 /nfs/dbraw/zinc/48/89/49/999488949.db2.gz QWIZQNAAAJGBQN-UHFFFAOYSA-N 0 2 404.400 3.545 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1-c1ccccc1C ZINC000480196902 999742275 /nfs/dbraw/zinc/74/22/75/999742275.db2.gz MSKNAQLQPDOFSS-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1ccccc1C ZINC000480226247 999750168 /nfs/dbraw/zinc/75/01/68/999750168.db2.gz LRXTZUCCANISPO-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000480245833 999755398 /nfs/dbraw/zinc/75/53/98/999755398.db2.gz XXNQKLLOHYTMPK-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490360123 999944405 /nfs/dbraw/zinc/94/44/05/999944405.db2.gz CEDKYLYSSZIQCO-LLVKDONJSA-N 0 2 401.810 3.748 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1[N+](=O)[O-] ZINC000492963256 1000151344 /nfs/dbraw/zinc/15/13/44/1000151344.db2.gz RLVSBERLILLYFZ-AATRIKPKSA-N 0 2 406.445 3.627 20 5 HHBDLN Cc1ccc(Cc2nc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cs2)cc1 ZINC000507289995 1001974202 /nfs/dbraw/zinc/97/42/02/1001974202.db2.gz 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CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000515335741 1006406470 /nfs/dbraw/zinc/40/64/70/1006406470.db2.gz FVRQPGFFLZNUJV-GOSISDBHSA-N 0 2 422.485 3.756 20 5 HHBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000515400022 1006439483 /nfs/dbraw/zinc/43/94/83/1006439483.db2.gz AEZDNVNWNJNINU-IBGZPJMESA-N 0 2 423.473 3.839 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000532037779 1006592471 /nfs/dbraw/zinc/59/24/71/1006592471.db2.gz GDLNZKKMZIODNT-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000515697658 1006596281 /nfs/dbraw/zinc/59/62/81/1006596281.db2.gz MQRPCBGZENAPFU-UHFFFAOYSA-N 0 2 414.439 3.983 20 5 HHBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000535182434 1007228071 /nfs/dbraw/zinc/22/80/71/1007228071.db2.gz NDLNMLABZVFPIR-UHFFFAOYSA-N 0 2 419.422 3.975 20 5 HHBDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)=N2)cc1 ZINC000535306146 1007358177 /nfs/dbraw/zinc/35/81/77/1007358177.db2.gz CEAHTBIULJSRKK-UHFFFAOYSA-N 0 2 406.442 3.808 20 5 HHBDLN CCOc1c(Br)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000535515847 1007568695 /nfs/dbraw/zinc/56/86/95/1007568695.db2.gz FUILBHNDDSNQMR-UHFFFAOYSA-N 0 2 411.208 3.723 20 5 HHBDLN CCCc1cnc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s1 ZINC000539552554 1007865644 /nfs/dbraw/zinc/86/56/44/1007865644.db2.gz APMVGLCLLDEBHH-UHFFFAOYSA-N 0 2 420.310 3.876 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3cccnc32)c1 ZINC000518699168 1008396572 /nfs/dbraw/zinc/39/65/72/1008396572.db2.gz SDKRKMXJYAIBPT-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN Cc1cc(Br)cn2c(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])c[nH+]c12 ZINC000543118510 1008691182 /nfs/dbraw/zinc/69/11/82/1008691182.db2.gz WIOBSVSIPNXJRE-NSCUHMNNSA-N 0 2 403.192 3.577 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1ccccc1 ZINC000543951155 1009549456 /nfs/dbraw/zinc/54/94/56/1009549456.db2.gz SUKIOHUWCVFRGX-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN Cc1c(S(=O)(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cnn1-c1ccccn1 ZINC000551113762 1010377295 /nfs/dbraw/zinc/37/72/95/1010377295.db2.gz BEXJTTUSXUTFDQ-UHFFFAOYSA-N 0 2 415.475 3.582 20 5 HHBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000551387516 1010554690 /nfs/dbraw/zinc/55/46/90/1010554690.db2.gz DJKXXBZPDKXBLG-UHFFFAOYSA-N 0 2 409.222 3.988 20 5 HHBDLN COc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc2s1 ZINC000551474916 1010609375 /nfs/dbraw/zinc/60/93/75/1010609375.db2.gz ICCKNDVRUKFNQU-UHFFFAOYSA-N 0 2 416.440 3.562 20 5 HHBDLN Cn1ccnc1Sc1ccc(F)cc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000545381681 1010764866 /nfs/dbraw/zinc/76/48/66/1010764866.db2.gz VLLLXGMUILAABZ-UHFFFAOYSA-N 0 2 422.463 3.561 20 5 HHBDLN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536204656 1011350745 /nfs/dbraw/zinc/35/07/45/1011350745.db2.gz NVMGQYYHKRYQKD-CYBMUJFWSA-N 0 2 423.263 3.897 20 5 HHBDLN O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000536300725 1011489255 /nfs/dbraw/zinc/48/92/55/1011489255.db2.gz UEDUFUARLMMYCZ-UHFFFAOYSA-N 0 2 403.479 3.884 20 5 HHBDLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000536411454 1011623765 /nfs/dbraw/zinc/62/37/65/1011623765.db2.gz SOZXJLZZHCRRBE-UHFFFAOYSA-N 0 2 420.310 3.912 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)ccc1Cl ZINC000760321710 1072246494 /nfs/dbraw/zinc/24/64/94/1072246494.db2.gz HWQOLXBEZBFHIX-UHFFFAOYSA-N 0 2 402.866 3.629 20 5 HHBDLN CCOc1ccccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000760336217 1072254863 /nfs/dbraw/zinc/25/48/63/1072254863.db2.gz YYFYQROLTTXUBV-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN O=C(NCc1cc2cccnc2cc1Br)c1cc(O)ccc1[N+](=O)[O-] ZINC000586799737 1072447493 /nfs/dbraw/zinc/44/74/93/1072447493.db2.gz SZTPANFKXMJVGV-UHFFFAOYSA-N 0 2 402.204 3.541 20 5 HHBDLN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598385 1073933770 /nfs/dbraw/zinc/93/37/70/1073933770.db2.gz ZDLKKEXMENPJQM-UHFFFAOYSA-N 0 2 418.406 3.734 20 5 HHBDLN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000574103883 1075167830 /nfs/dbraw/zinc/16/78/30/1075167830.db2.gz PRJQOHSAPYBQTK-UHFFFAOYSA-N 0 2 405.838 3.868 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000026548369 964596671 /nfs/dbraw/zinc/59/66/71/964596671.db2.gz GWWZEBXQXSRAPX-UHFFFAOYSA-N 0 2 415.427 3.937 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057722149 965531471 /nfs/dbraw/zinc/53/14/71/965531471.db2.gz OXONSQWHUSVTCH-UHFFFAOYSA-N 0 2 410.814 3.682 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000055560203 965917557 /nfs/dbraw/zinc/91/75/57/965917557.db2.gz TWEUGTMEHBUMGB-UHFFFAOYSA-N 0 2 408.766 3.659 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c(Cl)c1 ZINC000055583845 965937309 /nfs/dbraw/zinc/93/73/09/965937309.db2.gz JKLASVZMBRRFBM-HNNXBMFYSA-N 0 2 412.851 3.607 20 5 HHBDLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000062930412 966744335 /nfs/dbraw/zinc/74/43/35/966744335.db2.gz AXYSASXFDAUSKX-UHFFFAOYSA-N 0 2 414.867 3.773 20 5 HHBDLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538116790 1013678021 /nfs/dbraw/zinc/67/80/21/1013678021.db2.gz NRNXNZDSTLIZAX-QAPCUYQASA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538116790 1013678023 /nfs/dbraw/zinc/67/80/23/1013678023.db2.gz NRNXNZDSTLIZAX-QAPCUYQASA-N 0 2 407.829 3.658 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)OC)ccc1OC(C)C ZINC000063635703 966912882 /nfs/dbraw/zinc/91/28/82/966912882.db2.gz MNUVVFGNEHENGL-UHFFFAOYSA-N 0 2 422.459 3.532 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000115361601 969837159 /nfs/dbraw/zinc/83/71/59/969837159.db2.gz GVFDDVLRODBOTJ-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000321150653 972688189 /nfs/dbraw/zinc/68/81/89/972688189.db2.gz NVZBSBWWFNHBCN-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000323019742 972707259 /nfs/dbraw/zinc/70/72/59/972707259.db2.gz YXSRCPJAUIBEHK-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000324372062 972722321 /nfs/dbraw/zinc/72/23/21/972722321.db2.gz JVHAQJPKERHGBZ-UHFFFAOYSA-N 0 2 403.229 3.860 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c(Cl)c1 ZINC000388761600 972808193 /nfs/dbraw/zinc/80/81/93/972808193.db2.gz FLVLHHDCEDDASK-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000431316918 978201583 /nfs/dbraw/zinc/20/15/83/978201583.db2.gz CCLCWOZYLLIFKM-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)s2)c1 ZINC000431325145 978209951 /nfs/dbraw/zinc/20/99/51/978209951.db2.gz ZRAOMUXOLAUAMT-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cnn1-c1ccccc1F ZINC000435142487 980674444 /nfs/dbraw/zinc/67/44/44/980674444.db2.gz VYXIUPYZYPJBRT-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN O=C(NCCc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436958047 981646520 /nfs/dbraw/zinc/64/65/20/981646520.db2.gz CSURQMBBCAFHPK-UHFFFAOYSA-N 0 2 405.410 3.525 20 5 HHBDLN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436970605 981656358 /nfs/dbraw/zinc/65/63/58/981656358.db2.gz GFQVSHDSYJSVFQ-UHFFFAOYSA-N 0 2 412.423 3.527 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc([N+](=O)[O-])c1 ZINC000438727668 983028714 /nfs/dbraw/zinc/02/87/14/983028714.db2.gz XTPFMPQKCFYSOW-UHFFFAOYSA-N 0 2 411.244 3.551 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000441717762 984412960 /nfs/dbraw/zinc/41/29/60/984412960.db2.gz RJHCFWBSQKPNCS-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380469 985363157 /nfs/dbraw/zinc/36/31/57/985363157.db2.gz LPNFFULTHSDQBZ-AWEZNQCLSA-N 0 2 419.503 3.764 20 5 HHBDLN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380469 985363167 /nfs/dbraw/zinc/36/31/67/985363167.db2.gz LPNFFULTHSDQBZ-AWEZNQCLSA-N 0 2 419.503 3.764 20 5 HHBDLN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380469 985363185 /nfs/dbraw/zinc/36/31/85/985363185.db2.gz LPNFFULTHSDQBZ-AWEZNQCLSA-N 0 2 419.503 3.764 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000468368113 986067522 /nfs/dbraw/zinc/06/75/22/986067522.db2.gz RFBMERDJXNFFAU-GFCCVEGCSA-N 0 2 414.867 3.771 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1C ZINC000468374655 986074171 /nfs/dbraw/zinc/07/41/71/986074171.db2.gz XZGRLXPZEJRKNN-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN CCCn1ccc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C(=O)OC)cc21 ZINC000468383597 986084138 /nfs/dbraw/zinc/08/41/38/986084138.db2.gz OZZLQTMGRPYDBS-UHFFFAOYSA-N 0 2 417.443 3.547 20 5 HHBDLN CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000443949054 986156632 /nfs/dbraw/zinc/15/66/32/986156632.db2.gz WJHYZMPDCVYQAZ-WRWORJQWSA-N 0 2 408.320 3.869 20 5 HHBDLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000468974659 986679802 /nfs/dbraw/zinc/67/98/02/986679802.db2.gz PDGDBSPTSUQKBD-UHFFFAOYSA-N 0 2 418.450 3.705 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)ccc1[N+](=O)[O-] ZINC000468978959 986683478 /nfs/dbraw/zinc/68/34/78/986683478.db2.gz NWKKMRDOQNDAPM-UHFFFAOYSA-N 0 2 419.390 3.731 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000469023626 986733398 /nfs/dbraw/zinc/73/33/98/986733398.db2.gz RJGXURZXYHJPRH-UHFFFAOYSA-N 0 2 416.440 3.969 20 5 HHBDLN CCCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000464403366 988570682 /nfs/dbraw/zinc/57/06/82/988570682.db2.gz BJHDCNRLCNUAPJ-UHFFFAOYSA-N 0 2 407.477 3.528 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1[N+](=O)[O-] ZINC000471501732 989699037 /nfs/dbraw/zinc/69/90/37/989699037.db2.gz WESPEDCVVBXOAT-UHFFFAOYSA-N 0 2 416.893 3.937 20 5 HHBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471596002 989798957 /nfs/dbraw/zinc/79/89/57/989798957.db2.gz WJCAZOFTHPUTGB-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)c1C ZINC000481607001 994458079 /nfs/dbraw/zinc/45/80/79/994458079.db2.gz IYOHOICWLPHHHA-MOPGFXCFSA-N 0 2 420.487 3.695 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)cc(Br)c1O ZINC000484604400 996937393 /nfs/dbraw/zinc/93/73/93/996937393.db2.gz KRTBYUZGMLVVGN-UHFFFAOYSA-N 0 2 421.656 3.826 20 5 HHBDLN CC(C)c1csc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000477167255 997832051 /nfs/dbraw/zinc/83/20/51/997832051.db2.gz OHWSKEUANKOOBN-UHFFFAOYSA-N 0 2 410.304 3.960 20 5 HHBDLN CCc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000477423608 998113597 /nfs/dbraw/zinc/11/35/97/998113597.db2.gz AQJSADMNPYVRCC-UHFFFAOYSA-N 0 2 415.265 3.729 20 5 HHBDLN CCCc1nc(C)c(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000490501682 999968070 /nfs/dbraw/zinc/96/80/70/999968070.db2.gz URXVSNGXLQPCJB-UHFFFAOYSA-N 0 2 408.263 3.629 20 5 HHBDLN COc1c(S(=O)(=O)Nc2cscc2C)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491663513 1000092019 /nfs/dbraw/zinc/09/20/19/1000092019.db2.gz JWPSZXAGNUJIJK-UHFFFAOYSA-N 0 2 421.294 3.845 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1[N+](=O)[O-] ZINC000493133358 1000159149 /nfs/dbraw/zinc/15/91/49/1000159149.db2.gz OXJUCKCWVHGROX-UHFFFAOYSA-N 0 2 424.548 3.701 20 5 HHBDLN CCCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000504523793 1000250060 /nfs/dbraw/zinc/25/00/60/1000250060.db2.gz JBDYGURSZXPQOR-UHFFFAOYSA-N 0 2 406.283 3.567 20 5 HHBDLN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505218984 1000625778 /nfs/dbraw/zinc/62/57/78/1000625778.db2.gz JRULMHJHFUBXOT-UHFFFAOYSA-N 0 2 412.229 3.708 20 5 HHBDLN CC(C)COC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000508025766 1002548334 /nfs/dbraw/zinc/54/83/34/1002548334.db2.gz RZVUCFAXDFNSQE-ZDUSSCGKSA-N 0 2 402.856 3.533 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCc1cscn1 ZINC000508027007 1002549118 /nfs/dbraw/zinc/54/91/18/1002549118.db2.gz ULFNPAXWOVDPAV-UHFFFAOYSA-N 0 2 405.457 3.740 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)c(F)c1 ZINC000508115370 1002644050 /nfs/dbraw/zinc/64/40/50/1002644050.db2.gz HZNAYZWIROLHSN-OAHLLOKOSA-N 0 2 417.340 3.797 20 5 HHBDLN C[C@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000500938808 1004064898 /nfs/dbraw/zinc/06/48/98/1004064898.db2.gz FLJCRNSXKNUSMY-VIFPVBQESA-N 0 2 405.773 3.578 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c1C ZINC000502875174 1005253659 /nfs/dbraw/zinc/25/36/59/1005253659.db2.gz BUOVCIDGRNLJSB-MRXNPFEDSA-N 0 2 424.450 3.709 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(OCC(F)(F)F)c1 ZINC000511696017 1005280414 /nfs/dbraw/zinc/28/04/14/1005280414.db2.gz SOCDEINUPHXBKS-UHFFFAOYSA-N 0 2 404.366 3.954 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2cccc(C)c2)s1 ZINC000514829613 1006159835 /nfs/dbraw/zinc/15/98/35/1006159835.db2.gz IRIHWTJWNWZXGC-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000538756579 1007041214 /nfs/dbraw/zinc/04/12/14/1007041214.db2.gz MLVKCXVCCVXUPU-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000538871687 1007150859 /nfs/dbraw/zinc/15/08/59/1007150859.db2.gz RPFOPMJUBFCYKQ-UHFFFAOYSA-N 0 2 410.352 3.569 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cc1[N+](=O)[O-] ZINC000517464978 1007690104 /nfs/dbraw/zinc/69/01/04/1007690104.db2.gz PESBTOKVWCITLI-UHFFFAOYSA-N 0 2 400.888 3.680 20 5 HHBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000539853640 1008141977 /nfs/dbraw/zinc/14/19/77/1008141977.db2.gz JUSCSAPQTKPLCL-UHFFFAOYSA-N 0 2 415.265 3.613 20 5 HHBDLN CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1-c1cccc(Cl)c1 ZINC000539973260 1008215054 /nfs/dbraw/zinc/21/50/54/1008215054.db2.gz XJZPHSMYYULTOT-UHFFFAOYSA-N 0 2 401.810 3.739 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000520038319 1009197260 /nfs/dbraw/zinc/19/72/60/1009197260.db2.gz ZGUMJEBEYUESJH-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000543643144 1009247109 /nfs/dbraw/zinc/24/71/09/1009247109.db2.gz YGKDYPJKOJSUOF-UHFFFAOYSA-N 0 2 400.460 3.721 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000520199928 1009337643 /nfs/dbraw/zinc/33/76/43/1009337643.db2.gz PVBBZXZYGJUCGS-UHFFFAOYSA-N 0 2 424.841 3.741 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 ZINC000544627149 1010250608 /nfs/dbraw/zinc/25/06/08/1010250608.db2.gz ZTSFLJHXGWGOIM-UHFFFAOYSA-N 0 2 424.548 3.701 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(-c2nc(C(C)C)no2)c1 ZINC000544942396 1010506757 /nfs/dbraw/zinc/50/67/57/1010506757.db2.gz RQKRAHJGFNJYFX-UHFFFAOYSA-N 0 2 418.431 3.578 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1[N+](=O)[O-] ZINC000521897039 1010694104 /nfs/dbraw/zinc/69/41/04/1010694104.db2.gz FUZMTIPXNHJRNR-UHFFFAOYSA-N 0 2 411.439 3.701 20 5 HHBDLN CCCOc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc2ccccc21 ZINC000522283780 1010905414 /nfs/dbraw/zinc/90/54/14/1010905414.db2.gz DZUNOJXSFHVTTG-UHFFFAOYSA-N 0 2 418.413 3.969 20 5 HHBDLN CCOc1ccc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000522366174 1010960400 /nfs/dbraw/zinc/96/04/00/1010960400.db2.gz PXBAQXIXWOONJL-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000540698911 1011351328 /nfs/dbraw/zinc/35/13/28/1011351328.db2.gz XBDHFYVBCDLATK-UHFFFAOYSA-N 0 2 421.475 3.766 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000552161278 1012180700 /nfs/dbraw/zinc/18/07/00/1012180700.db2.gz YHXQGHSXRNQAMP-UHFFFAOYSA-N 0 2 421.247 3.747 20 5 HHBDLN Cc1cnc2c(cccc2S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000552566212 1012575314 /nfs/dbraw/zinc/57/53/14/1012575314.db2.gz VZQOQIKGIUIZRX-UHFFFAOYSA-N 0 2 400.441 3.862 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729665047 1071777697 /nfs/dbraw/zinc/77/76/97/1071777697.db2.gz AENIHZYDKAYQDF-UHFFFAOYSA-N 0 2 423.447 3.751 20 5 HHBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1[N+](=O)[O-] ZINC000760270067 1071812772 /nfs/dbraw/zinc/81/27/72/1071812772.db2.gz UYYHTEIEYWDYMG-UHFFFAOYSA-N 0 2 420.834 3.940 20 5 HHBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000586749917 1072415310 /nfs/dbraw/zinc/41/53/10/1072415310.db2.gz RIBGVBXOQSKCLE-UHFFFAOYSA-N 0 2 415.399 3.952 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000588857314 1073309542 /nfs/dbraw/zinc/30/95/42/1073309542.db2.gz XFFHAKWMRLRNSA-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC2(CC2)C1 ZINC000302232619 971213917 /nfs/dbraw/zinc/21/39/17/971213917.db2.gz CSIZNWCXIMKWDE-UHFFFAOYSA-N 0 2 417.487 3.785 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n(Cc2ccccc2)n1 ZINC000524298546 1013110957 /nfs/dbraw/zinc/11/09/57/1013110957.db2.gz PPKSCRCDHJBBEX-UHFFFAOYSA-N 0 2 400.460 3.566 20 5 HHBDLN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+](CCC(C)C)C3)c([N+](=O)[O-])c1 ZINC000542219444 1013169918 /nfs/dbraw/zinc/16/99/18/1013169918.db2.gz VUHLKZKFIWXDDX-UHFFFAOYSA-N 0 2 419.503 3.766 20 5 HHBDLN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+](CCC(C)C)C3)c([N+](=O)[O-])c1 ZINC000542219444 1013169922 /nfs/dbraw/zinc/16/99/22/1013169922.db2.gz VUHLKZKFIWXDDX-UHFFFAOYSA-N 0 2 419.503 3.766 20 5 HHBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000537964789 1013542107 /nfs/dbraw/zinc/54/21/07/1013542107.db2.gz DGKYRRGZUOVHPZ-UHFFFAOYSA-N 0 2 421.438 3.639 20 5 HHBDLN CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055581451 965935932 /nfs/dbraw/zinc/93/59/32/965935932.db2.gz IUHHOAFVIHDKJI-UHFFFAOYSA-N 0 2 412.855 3.579 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409531798 972987387 /nfs/dbraw/zinc/98/73/87/972987387.db2.gz CLBHIYUGPMVYIR-UHFFFAOYSA-N 0 2 423.447 3.591 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409531092 972987690 /nfs/dbraw/zinc/98/76/90/972987690.db2.gz ASYZCTISRHZYRS-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000410417286 974016105 /nfs/dbraw/zinc/01/61/05/974016105.db2.gz JSOJLBWLJXYYOQ-UHFFFAOYSA-N 0 2 423.454 3.653 20 5 HHBDLN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])n2)cc1 ZINC000431021218 977960019 /nfs/dbraw/zinc/96/00/19/977960019.db2.gz IEMPFQQQRPUVPX-UHFFFAOYSA-N 0 2 402.208 3.703 20 5 HHBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000432967944 979028420 /nfs/dbraw/zinc/02/84/20/979028420.db2.gz SMXNKYYIYFAKQG-GFCCVEGCSA-N 0 2 412.748 3.811 20 5 HHBDLN CCCOc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000434963268 980535098 /nfs/dbraw/zinc/53/50/98/980535098.db2.gz KLZYEGFTLJVCNV-UHFFFAOYSA-N 0 2 402.432 3.575 20 5 HHBDLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000435141367 980673818 /nfs/dbraw/zinc/67/38/18/980673818.db2.gz OAAIBRNYQKBYSG-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000436991988 981672446 /nfs/dbraw/zinc/67/24/46/981672446.db2.gz XHGVBPANDLTXLC-UHFFFAOYSA-N 0 2 411.393 3.677 20 5 HHBDLN CC(C)c1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000437338756 981989419 /nfs/dbraw/zinc/98/94/19/981989419.db2.gz HDKPLRZUWCTYLT-UHFFFAOYSA-N 0 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CCCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)c(C)c1 ZINC000468522627 986227255 /nfs/dbraw/zinc/22/72/55/986227255.db2.gz IWBQMUGZMRMUJL-UHFFFAOYSA-N 0 2 422.459 3.670 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000468530310 986235107 /nfs/dbraw/zinc/23/51/07/986235107.db2.gz JTXRBPQCSBMZIQ-UHFFFAOYSA-N 0 2 420.443 3.504 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1OCC(F)F ZINC000463524652 986501071 /nfs/dbraw/zinc/50/10/71/986501071.db2.gz FEVRKJQCNPLHSJ-UHFFFAOYSA-N 0 2 423.397 3.896 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c2ncccc12 ZINC000463798441 986790618 /nfs/dbraw/zinc/79/06/18/986790618.db2.gz LSGSXJMNTNLRFY-UHFFFAOYSA-N 0 2 423.410 3.526 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cnn1Cc1ccccc1F ZINC000469122036 986840493 /nfs/dbraw/zinc/84/04/93/986840493.db2.gz ZYRZGNKSCDKVPB-UHFFFAOYSA-N 0 2 418.450 3.650 20 5 HHBDLN Cc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2c1 ZINC000464411748 988581328 /nfs/dbraw/zinc/58/13/28/988581328.db2.gz NWQCKJINSWDGEL-UHFFFAOYSA-N 0 2 400.441 3.862 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)c1C ZINC000481575637 994414038 /nfs/dbraw/zinc/41/40/38/994414038.db2.gz VJUAMYQKPJVPNS-UHFFFAOYSA-N 0 2 420.487 3.818 20 5 HHBDLN Cc1ccc([C@H](C)NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000483144662 996001179 /nfs/dbraw/zinc/00/11/79/996001179.db2.gz CJYHRXDILQHIGJ-NSHDSACASA-N 0 2 401.448 3.516 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000483443214 996182288 /nfs/dbraw/zinc/18/22/88/996182288.db2.gz RLFQLRZZFNYWJF-UHFFFAOYSA-N 0 2 410.283 3.896 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000483447126 996186233 /nfs/dbraw/zinc/18/62/33/996186233.db2.gz ZMTDXZPFJSNXOE-NSHDSACASA-N 0 2 410.213 3.599 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)cc1 ZINC000484608613 996941307 /nfs/dbraw/zinc/94/13/07/996941307.db2.gz 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Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000488426739 999484130 /nfs/dbraw/zinc/48/41/30/999484130.db2.gz DZXZWKGLANAKQL-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])sc2c1 ZINC000479618761 999503504 /nfs/dbraw/zinc/50/35/04/999503504.db2.gz NDOBBTGWARYEPV-UHFFFAOYSA-N 0 2 420.472 3.581 20 5 HHBDLN O=C(COc1ccc(Cl)c(Cl)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490398646 999951221 /nfs/dbraw/zinc/95/12/21/999951221.db2.gz MNQOHNKRSWENNK-UHFFFAOYSA-N 0 2 408.201 3.704 20 5 HHBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1S(=O)(=O)C1CCCC1 ZINC000491327774 1000065461 /nfs/dbraw/zinc/06/54/61/1000065461.db2.gz CGZLEIZOVUDWDQ-UHFFFAOYSA-N 0 2 404.444 3.577 20 5 HHBDLN CCCc1csc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000504524532 1000250154 /nfs/dbraw/zinc/25/01/54/1000250154.db2.gz OXDCPDNIFXMYJB-UHFFFAOYSA-N 0 2 406.283 3.567 20 5 HHBDLN Cc1[nH]nc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c1[N+](=O)[O-] 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O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000538871069 1007149798 /nfs/dbraw/zinc/14/97/98/1007149798.db2.gz MDNILECHXVHARK-KRWDZBQOSA-N 0 2 405.819 3.521 20 5 HHBDLN COc1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1SC ZINC000517552942 1007765755 /nfs/dbraw/zinc/76/57/55/1007765755.db2.gz GBDBOBDMQIWVTE-UHFFFAOYSA-N 0 2 408.486 3.580 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000539971312 1008214227 /nfs/dbraw/zinc/21/42/27/1008214227.db2.gz OSQUETLNLPUHRE-UHFFFAOYSA-N 0 2 412.423 3.527 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000518387602 1008284904 /nfs/dbraw/zinc/28/49/04/1008284904.db2.gz CXXLCRKNCMCQDY-UHFFFAOYSA-N 0 2 421.475 3.697 20 5 HHBDLN O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000540481948 1008449084 /nfs/dbraw/zinc/44/90/84/1008449084.db2.gz SGOFNECUJSWFEA-OAHLLOKOSA-N 0 2 407.829 3.660 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000545557651 1008653828 /nfs/dbraw/zinc/65/38/28/1008653828.db2.gz UYSAYRGSVNAQNA-UHFFFAOYSA-N 0 2 418.431 3.578 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)s[nH]2)c1 ZINC000545832194 1008917554 /nfs/dbraw/zinc/91/75/54/1008917554.db2.gz JKQJMLJUDAYQNN-UHFFFAOYSA-N 0 2 416.434 3.599 20 5 HHBDLN CCCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)c(C)c1 ZINC000544099357 1009709378 /nfs/dbraw/zinc/70/93/78/1009709378.db2.gz UQNVXRNDMIYJIU-UHFFFAOYSA-N 0 2 422.459 3.670 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000520768375 1009838488 /nfs/dbraw/zinc/83/84/88/1009838488.db2.gz AKFMCLWAJKCVDL-KRWDZBQOSA-N 0 2 420.487 3.906 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCc3ccncc3)cc2)cc1C ZINC000521527192 1010439947 /nfs/dbraw/zinc/43/99/47/1010439947.db2.gz HGBAHTHBMAPVGR-UHFFFAOYSA-N 0 2 413.455 3.986 20 5 HHBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C 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O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000537769489 1013331656 /nfs/dbraw/zinc/33/16/56/1013331656.db2.gz YJVCQLAHDQGPTA-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000537769458 1013331704 /nfs/dbraw/zinc/33/17/04/1013331704.db2.gz HPSMCKDOXLDFKL-SNRMKQJTSA-N 0 2 409.442 3.712 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c([N+](=O)[O-])c1 ZINC000023395036 963817405 /nfs/dbraw/zinc/81/74/05/963817405.db2.gz KHVUJSJJKNIYAE-UHFFFAOYSA-N 0 2 412.514 3.883 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCOC(C)C ZINC000028915946 965214974 /nfs/dbraw/zinc/21/49/74/965214974.db2.gz OMJHZQNVRSKTGI-UHFFFAOYSA-N 0 2 423.491 3.631 20 5 HHBDLN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055567521 965923656 /nfs/dbraw/zinc/92/36/56/965923656.db2.gz IGUWADSSBFIWKD-UHFFFAOYSA-N 0 2 411.867 3.531 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1Cl ZINC000055589872 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OFSBETFRTURWID-UHFFFAOYSA-N 0 2 408.395 3.946 20 5 HHBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000312148067 972628706 /nfs/dbraw/zinc/62/87/06/972628706.db2.gz XGBHWCHNCVKEFX-UHFFFAOYSA-N 0 2 406.851 3.602 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000389812640 972815689 /nfs/dbraw/zinc/81/56/89/972815689.db2.gz MWUHTIZADFUBHU-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN Cc1cc(OCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)ccc1[N+](=O)[O-] ZINC000430571801 977637752 /nfs/dbraw/zinc/63/77/52/977637752.db2.gz ITPKQVXZMPKXPY-UHFFFAOYSA-N 0 2 404.835 3.515 20 5 HHBDLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)c1 ZINC000431314057 978199053 /nfs/dbraw/zinc/19/90/53/978199053.db2.gz SADXFLSSDJRVGQ-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000436563612 981447088 /nfs/dbraw/zinc/44/70/88/981447088.db2.gz NPXCJXDSHYPVFS-IVZQSRNASA-N 0 2 420.425 3.544 20 5 HHBDLN CCCc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccccc1Cl ZINC000436623495 981480389 /nfs/dbraw/zinc/48/03/89/981480389.db2.gz ZYEGJGJILFVVEQ-UHFFFAOYSA-N 0 2 401.810 3.739 20 5 HHBDLN O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436948687 981639230 /nfs/dbraw/zinc/63/92/30/981639230.db2.gz PJOHPPYRGXEDKC-UHFFFAOYSA-N 0 2 410.455 3.568 20 5 HHBDLN O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436948687 981639232 /nfs/dbraw/zinc/63/92/32/981639232.db2.gz PJOHPPYRGXEDKC-UHFFFAOYSA-N 0 2 410.455 3.568 20 5 HHBDLN COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436959208 981648142 /nfs/dbraw/zinc/64/81/42/981648142.db2.gz BXSVNISMAIGZHZ-INIZCTEOSA-N 0 2 414.458 3.945 20 5 HHBDLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436975951 981661199 /nfs/dbraw/zinc/66/11/99/981661199.db2.gz AWMDAOZZYSBNLC-YJBOKZPZSA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@H+]1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000436975951 981661202 /nfs/dbraw/zinc/66/12/02/981661202.db2.gz AWMDAOZZYSBNLC-YJBOKZPZSA-N 0 2 407.829 3.658 20 5 HHBDLN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436989318 981671010 /nfs/dbraw/zinc/67/10/10/981671010.db2.gz OBSIYRUWVGAXHB-UHFFFAOYSA-N 0 2 403.822 3.832 20 5 HHBDLN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436996753 981674995 /nfs/dbraw/zinc/67/49/95/981674995.db2.gz GXDBDFBUCWGRNG-UHFFFAOYSA-N 0 2 405.248 3.867 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1[N+](=O)[O-] ZINC000437168563 981821543 /nfs/dbraw/zinc/82/15/43/981821543.db2.gz AJGRGEHUBVCHTF-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN CCc1ccccc1N1CC(=O)C(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)=N1 ZINC000437496873 982122776 /nfs/dbraw/zinc/12/27/76/982122776.db2.gz YOHJBJRYCNRLFE-UHFFFAOYSA-N 0 2 406.442 3.853 20 5 HHBDLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2)n1 ZINC000441769825 984441555 /nfs/dbraw/zinc/44/15/55/984441555.db2.gz XTQOBQHIOWPPIS-UHFFFAOYSA-N 0 2 400.416 3.595 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(Cl)cccc1I ZINC000468011882 985664231 /nfs/dbraw/zinc/66/42/31/985664231.db2.gz OCZOPWDRNCIUIA-UHFFFAOYSA-N 0 2 418.574 3.811 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000468355630 986052590 /nfs/dbraw/zinc/05/25/90/986052590.db2.gz BFIYGPFGHRDRMB-LBPRGKRZSA-N 0 2 414.867 3.771 20 5 HHBDLN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463175098 986147883 /nfs/dbraw/zinc/14/78/83/986147883.db2.gz VVUTUBQLCAVFHH-UHFFFAOYSA-N 0 2 408.201 3.704 20 5 HHBDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)ccc1Cl ZINC000463520179 986496686 /nfs/dbraw/zinc/49/66/86/986496686.db2.gz VBUZJHCQXWFCFG-UHFFFAOYSA-N 0 2 420.834 3.556 20 5 HHBDLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)n1 ZINC000463520345 986497596 /nfs/dbraw/zinc/49/75/96/986497596.db2.gz NXKQCHXRJPJVRZ-UHFFFAOYSA-N 0 2 423.454 3.746 20 5 HHBDLN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000444534889 986723214 /nfs/dbraw/zinc/72/32/14/986723214.db2.gz RISGGFCNBKCWLD-UHFFFAOYSA-N 0 2 415.446 3.567 20 5 HHBDLN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469698479 987355760 /nfs/dbraw/zinc/35/57/60/987355760.db2.gz AWJIMVCMMRZXFU-UHFFFAOYSA-N 0 2 417.219 3.560 20 5 HHBDLN Cc1cc(Oc2ccc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)n[nH]1 ZINC000481572521 994409691 /nfs/dbraw/zinc/40/96/91/994409691.db2.gz RNQHOMBGCFCURR-UHFFFAOYSA-N 0 2 402.432 3.836 20 5 HHBDLN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000483154531 996006655 /nfs/dbraw/zinc/00/66/55/996006655.db2.gz IBWIFSOJBDXAOL-UHFFFAOYSA-N 0 2 416.484 3.526 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000483432855 996176239 /nfs/dbraw/zinc/17/62/39/996176239.db2.gz KFEDBOCTZVFERY-LLVKDONJSA-N 0 2 410.213 3.599 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000475835430 996404014 /nfs/dbraw/zinc/40/40/14/996404014.db2.gz QOCRWWDMGFGMFE-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Br ZINC000476425413 996893555 /nfs/dbraw/zinc/89/35/55/996893555.db2.gz UVPQDFFIOHZZMA-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN C[C@H](C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477052515 997694960 /nfs/dbraw/zinc/69/49/60/997694960.db2.gz VVSGBPRZZCWDGH-CYBMUJFWSA-N 0 2 418.471 3.625 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(F)c1 ZINC000485395313 997823555 /nfs/dbraw/zinc/82/35/55/997823555.db2.gz DXDLDKBSGIJCGI-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cccc(F)c2F)cc(Br)cc1[N+](=O)[O-] ZINC000485396488 997825425 /nfs/dbraw/zinc/82/54/25/997825425.db2.gz LTOSSQIBLCVRIM-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN CCOc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477465967 998179997 /nfs/dbraw/zinc/17/99/97/998179997.db2.gz DTXINSHRHURMER-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN O=c1c(Cl)c(/C=C\c2ccc([N+](=O)[O-])c(O)c2)nc2ccc(Br)cn12 ZINC000486030149 998477799 /nfs/dbraw/zinc/47/77/99/998477799.db2.gz VYPNDLVNWDBJQC-RJRFIUFISA-N 0 2 422.622 3.895 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1[N+](=O)[O-] ZINC000486067870 998515142 /nfs/dbraw/zinc/51/51/42/998515142.db2.gz KEBKMWLOQGDBLI-UHFFFAOYSA-N 0 2 410.496 3.770 20 5 HHBDLN CC[C@H](C)c1nnc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613977 998857998 /nfs/dbraw/zinc/85/79/98/998857998.db2.gz CDDGSUVUZQBJRR-YUMQZZPRSA-N 0 2 422.294 3.573 20 5 HHBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486613977 998858004 /nfs/dbraw/zinc/85/80/04/998858004.db2.gz CDDGSUVUZQBJRR-YUMQZZPRSA-N 0 2 422.294 3.573 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000487719980 999265072 /nfs/dbraw/zinc/26/50/72/999265072.db2.gz WKDBPSMOOMLFHN-UWJYYQICSA-N 0 2 422.441 3.819 20 5 HHBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479503184 999447891 /nfs/dbraw/zinc/44/78/91/999447891.db2.gz NPINVPXGIXBYRN-UHFFFAOYSA-N 0 2 401.372 3.607 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1C ZINC000479983781 999674022 /nfs/dbraw/zinc/67/40/22/999674022.db2.gz FLKXWQVRRNTFOV-UHFFFAOYSA-N 0 2 409.489 3.624 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1cccc(C)c1 ZINC000480195993 999741999 /nfs/dbraw/zinc/74/19/99/999741999.db2.gz KQAWJNVQUJKWES-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1[N+](=O)[O-] ZINC000480236856 999753178 /nfs/dbraw/zinc/75/31/78/999753178.db2.gz WMTUBTLMHCUNRA-QGZVFWFLSA-N 0 2 406.460 3.570 20 5 HHBDLN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490403460 999952138 /nfs/dbraw/zinc/95/21/38/999952138.db2.gz XFWIGYQHFYKYSJ-NSHDSACASA-N 0 2 401.810 3.748 20 5 HHBDLN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000498301661 1001766628 /nfs/dbraw/zinc/76/66/28/1001766628.db2.gz QMPQXFMRPRSGJW-YRNVUSSQSA-N 0 2 403.316 3.973 20 5 HHBDLN C[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092236 1001802107 /nfs/dbraw/zinc/80/21/07/1001802107.db2.gz ZYLHFXMLXNLPAZ-SGTLLEGYSA-N 0 2 407.829 3.516 20 5 HHBDLN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000507092236 1001802124 /nfs/dbraw/zinc/80/21/24/1001802124.db2.gz ZYLHFXMLXNLPAZ-SGTLLEGYSA-N 0 2 407.829 3.516 20 5 HHBDLN O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1 ZINC000498545175 1001962507 /nfs/dbraw/zinc/96/25/07/1001962507.db2.gz DAVVFKCJFSHFPJ-HSZRJFAPSA-N 0 2 419.437 3.510 20 5 HHBDLN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])c(O)c2)N1Cc1ccc2c(c1)OCO2 ZINC000498578393 1001991472 /nfs/dbraw/zinc/99/14/72/1001991472.db2.gz TWHVRADSJNCLKX-NRFANRHFSA-N 0 2 419.393 3.796 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c([N+](=O)[O-])c1 ZINC000509381095 1003810315 /nfs/dbraw/zinc/81/03/15/1003810315.db2.gz ZWNURHAUMPTHCG-UHFFFAOYSA-N 0 2 417.418 3.914 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1 ZINC000509395750 1003826194 /nfs/dbraw/zinc/82/61/94/1003826194.db2.gz FJHMWVDASXILDC-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509519586 1003919785 /nfs/dbraw/zinc/91/97/85/1003919785.db2.gz KXJDAMLAJMPFFF-UHFFFAOYSA-N 0 2 403.394 3.756 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c1C ZINC000512358096 1004244222 /nfs/dbraw/zinc/24/42/22/1004244222.db2.gz NAARLVYOCYTCKD-UHFFFAOYSA-N 0 2 424.891 3.606 20 5 HHBDLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000502395644 1005055090 /nfs/dbraw/zinc/05/50/90/1005055090.db2.gz XHPPIYOFWLHVOV-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000502446922 1005078979 /nfs/dbraw/zinc/07/89/79/1005078979.db2.gz COAIMYBJVDCIBE-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000513817632 1005142389 /nfs/dbraw/zinc/14/23/89/1005142389.db2.gz LSBNDYPYPIVBMJ-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504027679 1005536096 /nfs/dbraw/zinc/53/60/96/1005536096.db2.gz VOAMYCNPPQWXKE-UHFFFAOYSA-N 0 2 408.766 3.659 20 5 HHBDLN CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1OCc1cccnc1 ZINC000534055500 1006024675 /nfs/dbraw/zinc/02/46/75/1006024675.db2.gz YTNAQJSNPIKTAI-UHFFFAOYSA-N 0 2 409.398 3.925 20 5 HHBDLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)=N2)c1 ZINC000531523284 1006252239 /nfs/dbraw/zinc/25/22/39/1006252239.db2.gz SBWUFMJZJHJPNO-UHFFFAOYSA-N 0 2 406.442 3.808 20 5 HHBDLN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000515629824 1006567717 /nfs/dbraw/zinc/56/77/17/1006567717.db2.gz OQWUAKILPMKDJN-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)c2cccnc12 ZINC000538453448 1006723001 /nfs/dbraw/zinc/72/30/01/1006723001.db2.gz PLDZGEWBUDONHK-UHFFFAOYSA-N 0 2 410.411 3.501 20 5 HHBDLN CCCc1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000538455421 1006724441 /nfs/dbraw/zinc/72/44/41/1006724441.db2.gz VQJWPJHINMSQOA-UHFFFAOYSA-N 0 2 406.283 3.567 20 5 HHBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(Br)cc1 ZINC000534804329 1006808045 /nfs/dbraw/zinc/80/80/45/1006808045.db2.gz YKXXBKVVQZSNAG-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000535249600 1007302080 /nfs/dbraw/zinc/30/20/80/1007302080.db2.gz ZAVKUQNXVXZWLQ-NSHDSACASA-N 0 2 408.263 3.936 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000517174204 1007480631 /nfs/dbraw/zinc/48/06/31/1007480631.db2.gz UAZUANIUEQOMSR-UHFFFAOYSA-N 0 2 407.231 3.720 20 5 HHBDLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000535656247 1007669532 /nfs/dbraw/zinc/66/95/32/1007669532.db2.gz YKNKNLWMJHBBFP-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(F)c1 ZINC000517489634 1007713937 /nfs/dbraw/zinc/71/39/37/1007713937.db2.gz QYJWMHBWNRRCBD-UHFFFAOYSA-N 0 2 416.434 3.735 20 5 HHBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000535928542 1007951584 /nfs/dbraw/zinc/95/15/84/1007951584.db2.gz HWVYWAKVMDIFIX-UHFFFAOYSA-N 0 2 418.438 3.926 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] ZINC000517995796 1008092693 /nfs/dbraw/zinc/09/26/93/1008092693.db2.gz DQSQQERQRHIHMI-UHFFFAOYSA-N 0 2 422.850 3.552 20 5 HHBDLN COCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000518085605 1008151289 /nfs/dbraw/zinc/15/12/89/1008151289.db2.gz RRAHRVJVHKUXRV-UHFFFAOYSA-N 0 2 421.258 3.728 20 5 HHBDLN Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3[nH+]cc4n3CCCC4)cc2)c([N+](=O)[O-])c1 ZINC000518200064 1008203630 /nfs/dbraw/zinc/20/36/30/1008203630.db2.gz KAOAWWGJSJSYRR-UHFFFAOYSA-N 0 2 412.471 3.904 20 5 HHBDLN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539974834 1008216156 /nfs/dbraw/zinc/21/61/56/1008216156.db2.gz NZDUNXJSGDMPGP-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN CCOc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1[N+](=O)[O-] ZINC000518370107 1008279101 /nfs/dbraw/zinc/27/91/01/1008279101.db2.gz FKOTUHBUDAEQOR-UHFFFAOYSA-N 0 2 404.835 3.840 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000549011126 1008584314 /nfs/dbraw/zinc/58/43/14/1008584314.db2.gz YMFVQSZLEQQPFV-UHFFFAOYSA-N 0 2 404.835 3.840 20 5 HHBDLN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520967266 1010010745 /nfs/dbraw/zinc/01/07/45/1010010745.db2.gz MNIJYPQYQJOVEI-MRVPVSSYSA-N 0 2 410.864 3.656 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000544403791 1010023075 /nfs/dbraw/zinc/02/30/75/1010023075.db2.gz FJQHOTMKHLAIRN-KRWDZBQOSA-N 0 2 420.263 3.839 20 5 HHBDLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCCc1cccc([N+](=O)[O-])c1 ZINC000544635762 1010260608 /nfs/dbraw/zinc/26/06/08/1010260608.db2.gz DCGXUCNUKMXFBW-UHFFFAOYSA-N 0 2 403.851 3.553 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544637609 1010262505 /nfs/dbraw/zinc/26/25/05/1010262505.db2.gz IPCKQOKBYSNWCM-UHFFFAOYSA-N 0 2 415.862 3.779 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(OC)ccc1OC(F)F ZINC000521415882 1010363404 /nfs/dbraw/zinc/36/34/04/1010363404.db2.gz UBHXWOPKSHLOMW-UHFFFAOYSA-N 0 2 402.375 3.568 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000551111626 1010376469 /nfs/dbraw/zinc/37/64/69/1010376469.db2.gz CQJFSRAPXQLIQA-UHFFFAOYSA-N 0 2 414.212 3.779 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000548518640 1010654423 /nfs/dbraw/zinc/65/44/23/1010654423.db2.gz DSPGAGNOVNUIRL-UHFFFAOYSA-N 0 2 410.352 3.569 20 5 HHBDLN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000536313114 1011507284 /nfs/dbraw/zinc/50/72/84/1011507284.db2.gz JISDQKKLKCIXAJ-UHFFFAOYSA-N 0 2 413.459 3.735 20 5 HHBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000541077075 1011717752 /nfs/dbraw/zinc/71/77/52/1011717752.db2.gz JZQLHNNZAMFGSH-UHFFFAOYSA-N 0 2 411.342 3.652 20 5 HHBDLN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)cc1 ZINC000523674684 1012273626 /nfs/dbraw/zinc/27/36/26/1012273626.db2.gz MAMKBJYLFRSBRB-UHFFFAOYSA-N 0 2 421.335 3.882 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000541586666 1012377761 /nfs/dbraw/zinc/37/77/61/1012377761.db2.gz NIFLMFJHSIFWEO-CQSZACIVSA-N 0 2 424.240 3.851 20 5 HHBDLN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000760344754 1072267165 /nfs/dbraw/zinc/26/71/65/1072267165.db2.gz UPSXZGWJDYPISM-UHFFFAOYSA-N 0 2 409.439 3.746 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1F ZINC000760361237 1072278914 /nfs/dbraw/zinc/27/89/14/1072278914.db2.gz TVCZPWQFGQFZHD-IRXDYDNUSA-N 0 2 424.450 3.525 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000586752728 1072417127 /nfs/dbraw/zinc/41/71/27/1072417127.db2.gz MSBOFLFEQOYVAT-UHFFFAOYSA-N 0 2 416.231 3.743 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000479115312 1072732430 /nfs/dbraw/zinc/73/24/30/1072732430.db2.gz OFKZSMIHZDHQII-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC000590598129 1073933105 /nfs/dbraw/zinc/93/31/05/1073933105.db2.gz GYBNXJCBWMFZRS-UHFFFAOYSA-N 0 2 410.814 3.682 20 5 HHBDLN CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)C1 ZINC000301552825 970976961 /nfs/dbraw/zinc/97/69/61/970976961.db2.gz HJEACASCOQNSLS-AWEZNQCLSA-N 0 2 405.476 3.641 20 5 HHBDLN CCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl ZINC000055652306 965999834 /nfs/dbraw/zinc/99/98/34/965999834.db2.gz ZNSAYVHQVCTHJP-UHFFFAOYSA-N 0 2 400.840 3.846 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000060059910 966054728 /nfs/dbraw/zinc/05/47/28/966054728.db2.gz VKJOYGABROSLQX-UHFFFAOYSA-N 0 2 420.472 3.913 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000031721500 966096847 /nfs/dbraw/zinc/09/68/47/966096847.db2.gz LVQXLUIFDYEUNO-UHFFFAOYSA-N 0 2 400.840 3.845 20 5 HHBDLN COCCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl ZINC000060443706 966147159 /nfs/dbraw/zinc/14/71/59/966147159.db2.gz VQCVJUKMLVHJSS-UHFFFAOYSA-N 0 2 414.867 3.691 20 5 HHBDLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542727112 1013639070 /nfs/dbraw/zinc/63/90/70/1013639070.db2.gz FLVQVSZABSJETG-UHFFFAOYSA-N 0 2 415.862 3.779 20 5 HHBDLN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000216597279 970079252 /nfs/dbraw/zinc/07/92/52/970079252.db2.gz VBPOGTJONGNYEM-SFHVURJKSA-N 0 2 405.410 3.800 20 5 HHBDLN CCc1cc(Br)ccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000325286543 972730328 /nfs/dbraw/zinc/73/03/28/972730328.db2.gz LQEUFSMMYNYOMK-UHFFFAOYSA-N 0 2 415.265 3.729 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1ccccc1F ZINC000409532057 972988459 /nfs/dbraw/zinc/98/84/59/972988459.db2.gz CBAPGILPGLYWAH-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000410405208 974005841 /nfs/dbraw/zinc/00/58/41/974005841.db2.gz JBCRSNVQYCXGJJ-UHFFFAOYSA-N 0 2 413.411 3.513 20 5 HHBDLN COc1ccc(CN(CC2CCC2)C(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436656017 981494678 /nfs/dbraw/zinc/49/46/78/981494678.db2.gz KYVKSWPWMNHVJZ-UHFFFAOYSA-N 0 2 400.431 3.760 20 5 HHBDLN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436863452 981596400 /nfs/dbraw/zinc/59/64/00/981596400.db2.gz UKGRWJYYJVJBOV-UHFFFAOYSA-N 0 2 412.229 3.708 20 5 HHBDLN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c12 ZINC000436865419 981596589 /nfs/dbraw/zinc/59/65/89/981596589.db2.gz TVJDIADJICTRGV-UHFFFAOYSA-N 0 2 403.398 3.810 20 5 HHBDLN O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1)Nc1ccccc1 ZINC000436871049 981597900 /nfs/dbraw/zinc/59/79/00/981597900.db2.gz RVTMQLFRONOTGI-UHFFFAOYSA-N 0 2 407.382 3.570 20 5 HHBDLN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)ccc1OC(F)F ZINC000436949384 981640040 /nfs/dbraw/zinc/64/00/40/981640040.db2.gz XEOMTWGTTAKQGS-UHFFFAOYSA-N 0 2 408.357 3.715 20 5 HHBDLN COc1cc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccncc1 ZINC000436971545 981657047 /nfs/dbraw/zinc/65/70/47/981657047.db2.gz KLASIUBQZSSFGW-AWEZNQCLSA-N 0 2 423.425 3.774 20 5 HHBDLN O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436974003 981659419 /nfs/dbraw/zinc/65/94/19/981659419.db2.gz VTMHDYHOZPOHSJ-UHFFFAOYSA-N 0 2 409.373 3.622 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000436999555 981676750 /nfs/dbraw/zinc/67/67/50/981676750.db2.gz JROPSLCQURIXRN-ZDUSSCGKSA-N 0 2 405.248 3.768 20 5 HHBDLN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436998833 981676779 /nfs/dbraw/zinc/67/67/79/981676779.db2.gz QGAYDWQNYQDIHI-MRXNPFEDSA-N 0 2 416.434 3.514 20 5 HHBDLN Cc1c(Br)cc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000438804120 983081431 /nfs/dbraw/zinc/08/14/31/983081431.db2.gz GZSYXYCKBCAAPA-UHFFFAOYSA-N 0 2 406.645 3.515 20 5 HHBDLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4C)o3)cc2c1 ZINC000443155383 985414152 /nfs/dbraw/zinc/41/41/52/985414152.db2.gz INDGVXJNUPPYEM-UHFFFAOYSA-N 0 2 414.399 3.809 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000468355971 986053323 /nfs/dbraw/zinc/05/33/23/986053323.db2.gz JVRJAHAFAJNAQQ-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000468368600 986067739 /nfs/dbraw/zinc/06/77/39/986067739.db2.gz PPPSQZFVCCJJSL-UHFFFAOYSA-N 0 2 418.452 3.911 20 5 HHBDLN Cc1c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000463108746 986070467 /nfs/dbraw/zinc/07/04/67/986070467.db2.gz PXOINFWXNXDULY-UHFFFAOYSA-N 0 2 408.201 3.749 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC)c(Cl)c1 ZINC000468374443 986073983 /nfs/dbraw/zinc/07/39/83/986073983.db2.gz PEYHYGTYEGMRRI-UHFFFAOYSA-N 0 2 416.864 3.558 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470449420 988428751 /nfs/dbraw/zinc/42/87/51/988428751.db2.gz GSAPZORSNQCGAA-UHFFFAOYSA-N 0 2 403.416 3.676 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000471993518 990160991 /nfs/dbraw/zinc/16/09/91/990160991.db2.gz VITLMLYKAGGWPP-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000466477690 991769485 /nfs/dbraw/zinc/76/94/85/991769485.db2.gz PTDMVYXRUKKAOF-UHFFFAOYSA-N 0 2 423.454 3.916 20 5 HHBDLN Cc1ccc2[nH]c(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])nc2c1 ZINC000466913466 992228510 /nfs/dbraw/zinc/22/85/10/992228510.db2.gz JGEIPPXFNJJGPO-UHFFFAOYSA-N 0 2 415.258 3.565 20 5 HHBDLN Cc1ccc2nc(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000466913466 992228523 /nfs/dbraw/zinc/22/85/23/992228523.db2.gz JGEIPPXFNJJGPO-UHFFFAOYSA-N 0 2 415.258 3.565 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000481050205 993892718 /nfs/dbraw/zinc/89/27/18/993892718.db2.gz BAFFOJARSKFEKK-GFCCVEGCSA-N 0 2 424.548 3.701 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1C ZINC000481592159 994438484 /nfs/dbraw/zinc/43/84/84/994438484.db2.gz JPGMRHCOKFRFQY-KRWDZBQOSA-N 0 2 406.460 3.570 20 5 HHBDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000473771211 994690958 /nfs/dbraw/zinc/69/09/58/994690958.db2.gz BTGYJOLLARUJHY-UHFFFAOYSA-N 0 2 415.830 3.763 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000483196464 996031332 /nfs/dbraw/zinc/03/13/32/996031332.db2.gz VFZBKLKEZODZTR-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000483434525 996176697 /nfs/dbraw/zinc/17/66/97/996176697.db2.gz AUJPWGIUNSQLOH-UHFFFAOYSA-N 0 2 419.437 3.945 20 5 HHBDLN Cn1cc(Nc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cn1 ZINC000475728864 996328323 /nfs/dbraw/zinc/32/83/23/996328323.db2.gz DBQBNENVMMSVNI-UHFFFAOYSA-N 0 2 407.839 3.526 20 5 HHBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000479479904 999435882 /nfs/dbraw/zinc/43/58/82/999435882.db2.gz LXZZRXXAOIJHJZ-UHFFFAOYSA-N 0 2 402.432 3.538 20 5 HHBDLN COCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000479950295 999660104 /nfs/dbraw/zinc/66/01/04/999660104.db2.gz QPYGJTGQQLCXRP-LBPRGKRZSA-N 0 2 423.274 3.859 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1ccccc1C ZINC000480195194 999741731 /nfs/dbraw/zinc/74/17/31/999741731.db2.gz BMRJCYJGXDDDMD-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cnn1C(CC)CC ZINC000480223897 999749496 /nfs/dbraw/zinc/74/94/96/999749496.db2.gz JIQVNFNHSQNKLM-UHFFFAOYSA-N 0 2 414.459 3.663 20 5 HHBDLN Cc1ccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629245 999844994 /nfs/dbraw/zinc/84/49/94/999844994.db2.gz CKDASMZTZMMAEU-GOSISDBHSA-N 0 2 401.419 3.505 20 5 HHBDLN Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c12 ZINC000490366977 999945598 /nfs/dbraw/zinc/94/55/98/999945598.db2.gz NWWHBFHLFSOQLI-UHFFFAOYSA-N 0 2 407.390 3.600 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cnn1-c1ccccc1F ZINC000491605810 1000089450 /nfs/dbraw/zinc/08/94/50/1000089450.db2.gz ZBQGEHOXWUNEEG-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000497761268 1001507062 /nfs/dbraw/zinc/50/70/62/1001507062.db2.gz JTMLEUCPOBLUGD-UHFFFAOYSA-N 0 2 418.471 3.800 20 5 HHBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000507012960 1001764157 /nfs/dbraw/zinc/76/41/57/1001764157.db2.gz NSEWPPOMAPIARA-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN O=C(Cc1ccccc1)Nc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000507647809 1002248050 /nfs/dbraw/zinc/24/80/50/1002248050.db2.gz CYQXEQSSTGZYPJ-UHFFFAOYSA-N 0 2 409.373 3.873 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] ZINC000508236598 1002762550 /nfs/dbraw/zinc/76/25/50/1002762550.db2.gz QEXTVNSPNARMAV-UHFFFAOYSA-N 0 2 412.786 3.547 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000511687057 1005276621 /nfs/dbraw/zinc/27/66/21/1005276621.db2.gz JWJWNCRIKWKFAN-CQSZACIVSA-N 0 2 412.851 3.607 20 5 HHBDLN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CO2 ZINC000531657856 1006335780 /nfs/dbraw/zinc/33/57/80/1006335780.db2.gz UDUFPODBWXWQCI-GFCCVEGCSA-N 0 2 403.243 3.622 20 5 HHBDLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCc4c(cccc4[N+](=O)[O-])C3)=N2)c1 ZINC000534594410 1006576680 /nfs/dbraw/zinc/57/66/80/1006576680.db2.gz KUQFFOHCKGJSQX-UHFFFAOYSA-N 0 2 406.442 3.808 20 5 HHBDLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000538505030 1006771529 /nfs/dbraw/zinc/77/15/29/1006771529.db2.gz BDHHCIHJNQHYKO-UHFFFAOYSA-N 0 2 410.386 3.518 20 5 HHBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1-c1cc(C)cc(C)c1 ZINC000538621823 1006892439 /nfs/dbraw/zinc/89/24/39/1006892439.db2.gz LSALVSLMDAPMMC-UHFFFAOYSA-N 0 2 417.429 3.743 20 5 HHBDLN Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000535656040 1007669255 /nfs/dbraw/zinc/66/92/55/1007669255.db2.gz SYXYYKGGQZLBNO-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543912497 1009500745 /nfs/dbraw/zinc/50/07/45/1009500745.db2.gz UISLLORPMDNKKT-UHFFFAOYSA-N 0 2 416.402 3.860 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000544635589 1010259455 /nfs/dbraw/zinc/25/94/55/1010259455.db2.gz MOLKMJPKGPRLTO-UHFFFAOYSA-N 0 2 415.862 3.779 20 5 HHBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000551345599 1010529770 /nfs/dbraw/zinc/52/97/70/1010529770.db2.gz IJAASJYEJSQAHN-UHFFFAOYSA-N 0 2 406.807 3.631 20 5 HHBDLN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(O)ccc1[N+](=O)[O-] ZINC000552142048 1012161847 /nfs/dbraw/zinc/16/18/47/1012161847.db2.gz HDRUPDQGGKWAKV-UHFFFAOYSA-N 0 2 404.220 3.517 20 5 HHBDLN Cc1ccc(C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000523734796 1012353901 /nfs/dbraw/zinc/35/39/01/1012353901.db2.gz IGOFZZQVAWFFPK-SFHVURJKSA-N 0 2 415.446 3.700 20 5 HHBDLN CCC(CC)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000552427576 1012446497 /nfs/dbraw/zinc/44/64/97/1012446497.db2.gz INWRKIVICAMLPK-UHFFFAOYSA-N 0 2 402.447 3.805 20 5 HHBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)s2)cc1 ZINC000541781040 1012650144 /nfs/dbraw/zinc/65/01/44/1012650144.db2.gz XYUQJSDRVXJYCM-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000537397199 1012880771 /nfs/dbraw/zinc/88/07/71/1012880771.db2.gz RQPBQBIDQFDPFW-UHFFFAOYSA-N 0 2 415.496 3.801 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729665096 1071777718 /nfs/dbraw/zinc/77/77/18/1071777718.db2.gz DJNWDTJWUFGCAG-UHFFFAOYSA-N 0 2 423.447 3.751 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1-c1ccc(Cl)cc1 ZINC000588856293 1073309180 /nfs/dbraw/zinc/30/91/80/1073309180.db2.gz VDGQYTSWCLLOOE-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C(F)(F)F ZINC000555946741 1073994334 /nfs/dbraw/zinc/99/43/34/1073994334.db2.gz WXURHBYOUADKKM-UHFFFAOYSA-N 0 2 401.775 3.833 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C)[C@@H]1C ZINC000301489887 970954066 /nfs/dbraw/zinc/95/40/66/970954066.db2.gz LSVVASBVKPAZGL-KGLIPLIRSA-N 0 2 405.476 3.639 20 5 HHBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2ccc(Br)cc2s1 ZINC000014221749 962449948 /nfs/dbraw/zinc/44/99/48/962449948.db2.gz NKMSGABXQAZRAJ-UHFFFAOYSA-N 0 2 414.262 3.768 20 5 HHBDLN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016153828 962965732 /nfs/dbraw/zinc/96/57/32/962965732.db2.gz ZGYLDUDIRDUWRE-UHFFFAOYSA-N 0 2 415.402 3.787 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c([N+](=O)[O-])c1 ZINC000023396114 963817448 /nfs/dbraw/zinc/81/74/48/963817448.db2.gz OXUKIAIPUQOZBL-UHFFFAOYSA-N 0 2 420.443 3.836 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1 ZINC000028808070 965187716 /nfs/dbraw/zinc/18/77/16/965187716.db2.gz WRBSZCNWBXXJRV-UHFFFAOYSA-N 0 2 411.486 3.736 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000055619537 965966492 /nfs/dbraw/zinc/96/64/92/965966492.db2.gz DHMKQCRRKXQFIP-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032097533 966193813 /nfs/dbraw/zinc/19/38/13/966193813.db2.gz IKQPTDSIVIIMHL-UHFFFAOYSA-N 0 2 405.432 3.843 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063879382 966985939 /nfs/dbraw/zinc/98/59/39/966985939.db2.gz VIZHOGAWGNCZAW-UHFFFAOYSA-N 0 2 405.457 3.891 20 5 HHBDLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542910635 1013751602 /nfs/dbraw/zinc/75/16/02/1013751602.db2.gz XHROITSXACIYFC-UHFFFAOYSA-N 0 2 409.736 3.887 20 5 HHBDLN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000069104794 968815112 /nfs/dbraw/zinc/81/51/12/968815112.db2.gz JGTSGAGGPJBPEM-UHFFFAOYSA-N 0 2 411.439 3.956 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)ccc1I ZINC000221011975 970099236 /nfs/dbraw/zinc/09/92/36/970099236.db2.gz SIZIHNHLZFLRKP-UHFFFAOYSA-N 0 2 418.574 3.811 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1-c1ccccc1 ZINC000554677313 1014009610 /nfs/dbraw/zinc/00/96/10/1014009610.db2.gz QJGHCXQIABJWGG-UHFFFAOYSA-N 0 2 400.460 3.842 20 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980676909 /nfs/dbraw/zinc/67/69/09/980676909.db2.gz PXEKDMAQOCIBEX-UHFFFAOYSA-N 0 2 417.468 3.950 20 5 HHBDLN Cc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1c(Cl)cccc1Cl ZINC000436620228 981478627 /nfs/dbraw/zinc/47/86/27/981478627.db2.gz RWZITDJAHAVWHY-UHFFFAOYSA-N 0 2 408.201 3.749 20 5 HHBDLN O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436821295 981576555 /nfs/dbraw/zinc/57/65/55/981576555.db2.gz OPUIYNUIXOILTD-UHFFFAOYSA-N 0 2 410.283 3.896 20 5 HHBDLN C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436851138 981590619 /nfs/dbraw/zinc/59/06/19/981590619.db2.gz CNBZQEIQQVXHTP-PIGZYNQJSA-N 0 2 410.348 3.921 20 5 HHBDLN COc1ccc(OC)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3O)n2)c1 ZINC000436885754 981601487 /nfs/dbraw/zinc/60/14/87/981601487.db2.gz OZFSVHPXTACDTH-UHFFFAOYSA-N 0 2 401.400 3.693 20 5 HHBDLN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436981799 981665212 /nfs/dbraw/zinc/66/52/12/981665212.db2.gz 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O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c2ncccc12 ZINC000463506466 986481667 /nfs/dbraw/zinc/48/16/67/986481667.db2.gz TXXJQJSFSFTZEJ-UHFFFAOYSA-N 0 2 413.333 3.842 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c2ncccc12 ZINC000463513501 986489304 /nfs/dbraw/zinc/48/93/04/986489304.db2.gz OJXGAAIKSLYEAB-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c2ncccc12 ZINC000463529600 986505824 /nfs/dbraw/zinc/50/58/24/986505824.db2.gz XCLZKDZMOAWEKS-UHFFFAOYSA-N 0 2 414.443 3.660 20 5 HHBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444689906 986867587 /nfs/dbraw/zinc/86/75/87/986867587.db2.gz IAFSSXNCXAGJGI-UHFFFAOYSA-N 0 2 417.375 3.997 20 5 HHBDLN COc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2c1 ZINC000464411486 988580244 /nfs/dbraw/zinc/58/02/44/988580244.db2.gz MDGZOYPRTHLEQE-UHFFFAOYSA-N 0 2 416.440 3.562 20 5 HHBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c2cccnc12 ZINC000464414342 988584506 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ZINC000390420810 972824135 /nfs/dbraw/zinc/82/41/35/972824135.db2.gz QHHUVLJELHQAMO-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 ZINC000391473759 972840844 /nfs/dbraw/zinc/84/08/44/972840844.db2.gz IUBFERGKLOZYGQ-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])sc2C1 ZINC000409668849 973128980 /nfs/dbraw/zinc/12/89/80/973128980.db2.gz RYMXUYRSIASBNW-LLVKDONJSA-N 0 2 411.505 3.766 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000410410578 974009380 /nfs/dbraw/zinc/00/93/80/974009380.db2.gz YNJACDKOJZNYLR-UHFFFAOYSA-N 0 2 408.329 3.952 20 5 HHBDLN O=C([O-])c1csc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1 ZINC000426673020 974594095 /nfs/dbraw/zinc/59/40/95/974594095.db2.gz CUEIOFQPMXJODI-UHFFFAOYSA-N 0 2 403.391 3.971 20 5 HHBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000426959767 974780320 /nfs/dbraw/zinc/78/03/20/974780320.db2.gz LOAYLOYFCFRENA-UHFFFAOYSA-N 0 2 421.335 3.520 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(C)cc1 ZINC000431889312 978579888 /nfs/dbraw/zinc/57/98/88/978579888.db2.gz ILVOHESPQRVRCR-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc([N+](=O)[O-])c1 ZINC000435487656 980898051 /nfs/dbraw/zinc/89/80/51/980898051.db2.gz UDGHZLOXOISUHF-UHFFFAOYSA-N 0 2 423.205 3.628 20 5 HHBDLN Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000436169759 981232210 /nfs/dbraw/zinc/23/22/10/981232210.db2.gz LWCDVOWGBUWYTD-UHFFFAOYSA-N 0 2 410.249 3.948 20 5 HHBDLN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C2CCCCC2)no1 ZINC000436187253 981241178 /nfs/dbraw/zinc/24/11/78/981241178.db2.gz HGWDOYYXBJEDNK-JTQLQIEISA-N 0 2 414.871 3.718 20 5 HHBDLN COc1ccc(-c2cc3[nH]c(Cn4cc([N+](=O)[O-])c(C5CC5)n4)nc(=O)c3s2)cc1 ZINC000436193363 981243798 /nfs/dbraw/zinc/24/37/98/981243798.db2.gz JGHAWCCNPARHMZ-UHFFFAOYSA-N 0 2 423.454 3.691 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000436890015 981602530 /nfs/dbraw/zinc/60/25/30/981602530.db2.gz DDDGVQKQLNWOLA-UHFFFAOYSA-N 0 2 414.805 3.809 20 5 HHBDLN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436899933 981606652 /nfs/dbraw/zinc/60/66/52/981606652.db2.gz LUAOXDVFNIQJKT-DIFFPNOSSA-N 0 2 421.247 3.665 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)s[nH]2)c1 ZINC000448212911 981627194 /nfs/dbraw/zinc/62/71/94/981627194.db2.gz KESOPDQGWSHVEF-UHFFFAOYSA-N 0 2 424.360 3.815 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000437165548 981816721 /nfs/dbraw/zinc/81/67/21/981816721.db2.gz NNAHLTQVXKVBRM-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN CC(C)(C)c1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000437307683 981959305 /nfs/dbraw/zinc/95/93/05/981959305.db2.gz QTUPWOPQUDYYBJ-UHFFFAOYSA-N 0 2 420.310 3.912 20 5 HHBDLN COc1c(F)cc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000437654654 982272333 /nfs/dbraw/zinc/27/23/33/982272333.db2.gz MGRSUEYPOWIHFD-UHFFFAOYSA-N 0 2 423.447 3.975 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000437683434 982295302 /nfs/dbraw/zinc/29/53/02/982295302.db2.gz BTSGQKQNTQDKEM-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000460828776 982579461 /nfs/dbraw/zinc/57/94/61/982579461.db2.gz LQPXLRAKYFVREI-UHFFFAOYSA-N 0 2 410.423 3.865 20 5 HHBDLN COCCCCc1cccnc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000461212337 982925950 /nfs/dbraw/zinc/92/59/50/982925950.db2.gz PLDRNYQVYMHQRC-UHFFFAOYSA-N 0 2 413.883 3.722 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438730516 983030392 /nfs/dbraw/zinc/03/03/92/983030392.db2.gz YILYTBRLEQDYLX-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000442231677 984751292 /nfs/dbraw/zinc/75/12/92/984751292.db2.gz VPCVZFHEGSUPNW-UHFFFAOYSA-N 0 2 404.423 3.673 20 5 HHBDLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)o3)cc2c1 ZINC000443154914 985413590 /nfs/dbraw/zinc/41/35/90/985413590.db2.gz HNEHPCNVZRBFBZ-UHFFFAOYSA-N 0 2 400.372 3.500 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cccs2)c1 ZINC000468365992 986065368 /nfs/dbraw/zinc/06/53/68/986065368.db2.gz BLWWAYJVRNGDAU-UHFFFAOYSA-N 0 2 418.452 3.911 20 5 HHBDLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)o2)c(C)o1 ZINC000444058618 986259750 /nfs/dbraw/zinc/25/97/50/986259750.db2.gz QJVUDYRHBIRZPG-UHFFFAOYSA-N 0 2 412.811 3.617 20 5 HHBDLN Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc2)o1 ZINC000463512745 986488663 /nfs/dbraw/zinc/48/86/63/986488663.db2.gz MKLVBDUKKIICBI-UHFFFAOYSA-N 0 2 410.411 3.907 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c2ncccc12 ZINC000463525808 986502822 /nfs/dbraw/zinc/50/28/22/986502822.db2.gz KGRIFABMBQEPNO-UHFFFAOYSA-N 0 2 412.471 3.934 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)ccc1[N+](=O)[O-] ZINC000468898543 986605124 /nfs/dbraw/zinc/60/51/24/986605124.db2.gz JIBNQVFFEMJWNB-UHFFFAOYSA-N 0 2 416.440 3.969 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)ccc1[N+](=O)[O-] ZINC000469052897 986763492 /nfs/dbraw/zinc/76/34/92/986763492.db2.gz PJBRRUBRZPAMDI-UHFFFAOYSA-N 0 2 423.447 3.591 20 5 HHBDLN CCc1cc(C)cc(CC)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000481882172 994746757 /nfs/dbraw/zinc/74/67/57/994746757.db2.gz BYFWRRQZWNPWRX-UHFFFAOYSA-N 0 2 406.460 3.600 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000483432316 996175604 /nfs/dbraw/zinc/17/56/04/996175604.db2.gz HWGBNHFUSOWEPW-UHFFFAOYSA-N 0 2 404.176 3.569 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000483432990 996176197 /nfs/dbraw/zinc/17/61/97/996176197.db2.gz LLUOSLWSTOHLHA-AWEZNQCLSA-N 0 2 424.240 3.851 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000483435123 996177251 /nfs/dbraw/zinc/17/72/51/996177251.db2.gz CEORDNOSJCETLV-NSHDSACASA-N 0 2 410.352 3.569 20 5 HHBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1cccc(Br)c1 ZINC000483439329 996179581 /nfs/dbraw/zinc/17/95/81/996179581.db2.gz KGUFMDGHETYADH-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000476240199 996698972 /nfs/dbraw/zinc/69/89/72/996698972.db2.gz STBWDVLSIRDPHZ-UHFFFAOYSA-N 0 2 401.322 3.864 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)cc1C ZINC000484617059 996949679 /nfs/dbraw/zinc/94/96/79/996949679.db2.gz LSAVSGKSPRFKBR-OALUTQOASA-N 0 2 420.487 3.695 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccc(Cl)s2)nn1C ZINC000486563223 998827468 /nfs/dbraw/zinc/82/74/68/998827468.db2.gz NOTGIHCQHODYSX-UHFFFAOYSA-N 0 2 412.880 3.819 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000479992676 999677856 /nfs/dbraw/zinc/67/78/56/999677856.db2.gz LJQKVSMVVJUFJO-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(F)cc(Br)c1 ZINC000490361494 999944495 /nfs/dbraw/zinc/94/44/95/999944495.db2.gz DQCPAJBLVUCAPB-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN CSc1nccn1-c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490362868 999944838 /nfs/dbraw/zinc/94/48/38/999944838.db2.gz GSYJZRRZVGOZDY-UHFFFAOYSA-N 0 2 421.442 3.540 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491592940 1000087161 /nfs/dbraw/zinc/08/71/61/1000087161.db2.gz ABYDQIKNEYTMPZ-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000491595597 1000087611 /nfs/dbraw/zinc/08/76/11/1000087611.db2.gz BTCRNLBZNVBLSU-OAHLLOKOSA-N 0 2 424.450 3.709 20 5 HHBDLN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506352330 1001371919 /nfs/dbraw/zinc/37/19/19/1001371919.db2.gz GSQHRLMXJHAADR-CYBMUJFWSA-N 0 2 400.435 3.665 20 5 HHBDLN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000498424997 1001855574 /nfs/dbraw/zinc/85/55/74/1001855574.db2.gz JYVINMXJAGDACU-UHFFFAOYSA-N 0 2 423.878 3.593 20 5 HHBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000500508534 1003752912 /nfs/dbraw/zinc/75/29/12/1003752912.db2.gz OWYUIMWKGHBLKE-LLVKDONJSA-N 0 2 407.448 3.897 20 5 HHBDLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1OCC(F)(F)F ZINC000509557454 1003944166 /nfs/dbraw/zinc/94/41/66/1003944166.db2.gz PLLSRRSKEIUBJX-UHFFFAOYSA-N 0 2 420.365 3.654 20 5 HHBDLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc2F)n1 ZINC000509621913 1003986782 /nfs/dbraw/zinc/98/67/82/1003986782.db2.gz RUCAVFAMNJZXMH-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1csc(CCc2ccccc2)n1 ZINC000502970432 1005297376 /nfs/dbraw/zinc/29/73/76/1005297376.db2.gz IOHNUBDEOBOBQM-UHFFFAOYSA-N 0 2 420.454 3.874 20 5 HHBDLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1ccc([N+](=O)[O-])cn1 ZINC000532392141 1006840426 /nfs/dbraw/zinc/84/04/26/1006840426.db2.gz CUOGWBKEXMCOAB-UHFFFAOYSA-N 0 2 419.422 3.975 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)c([N+](=O)[O-])c1 ZINC000516333884 1007023218 /nfs/dbraw/zinc/02/32/18/1007023218.db2.gz ASCDCUNTCBRGMW-UHFFFAOYSA-N 0 2 420.472 3.913 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000543161311 1008734068 /nfs/dbraw/zinc/73/40/68/1008734068.db2.gz KTTIEWLGZHPALD-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000519570345 1008913876 /nfs/dbraw/zinc/91/38/76/1008913876.db2.gz AHQGQUHCWHHFBI-UHFFFAOYSA-N 0 2 400.840 3.845 20 5 HHBDLN Cc1ccccc1CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000519774072 1009000743 /nfs/dbraw/zinc/00/07/43/1009000743.db2.gz GEAVOQAAUOYQOQ-UHFFFAOYSA-N 0 2 400.460 3.521 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000543445625 1009031711 /nfs/dbraw/zinc/03/17/11/1009031711.db2.gz SWZSZPSEIBIVRA-UHFFFAOYSA-N 0 2 400.341 3.505 20 5 HHBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000549732425 1009356378 /nfs/dbraw/zinc/35/63/78/1009356378.db2.gz KVJWWAATBMXHHN-UHFFFAOYSA-N 0 2 419.850 3.778 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)ccc2c1 ZINC000544078365 1009683199 /nfs/dbraw/zinc/68/31/99/1009683199.db2.gz PIPZMPFMTJJCJI-UHFFFAOYSA-N 0 2 409.370 3.588 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3[nH+]cc4n3CCCC4)cc2)s1 ZINC000521765395 1010601286 /nfs/dbraw/zinc/60/12/86/1010601286.db2.gz RBMLLCRXWDTCMO-UHFFFAOYSA-N 0 2 404.473 3.657 20 5 HHBDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551473774 1010608548 /nfs/dbraw/zinc/60/85/48/1010608548.db2.gz RCSZXCBIXCHAII-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1cccc(Br)c1 ZINC000536192122 1011332107 /nfs/dbraw/zinc/33/21/07/1011332107.db2.gz LZHHFBJLBMKZCU-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)s2)cc1 ZINC000536458466 1011677010 /nfs/dbraw/zinc/67/70/10/1011677010.db2.gz HHASXECMGPOJGR-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)c1F ZINC000760341038 1072263668 /nfs/dbraw/zinc/26/36/68/1072263668.db2.gz YMISMGFXJRHDJM-UHFFFAOYSA-N 0 2 422.463 3.728 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)ccc1Br ZINC000760354844 1072268083 /nfs/dbraw/zinc/26/80/83/1072268083.db2.gz FFRCNLZPQIMRAJ-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c1F ZINC000760344941 1072267237 /nfs/dbraw/zinc/26/72/37/1072267237.db2.gz WATBXPFHEKXUJT-UHFFFAOYSA-N 0 2 417.418 3.817 20 5 HHBDLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1)C(C)C ZINC000760356373 1072275368 /nfs/dbraw/zinc/27/53/68/1072275368.db2.gz NYLKREWOIKHCFI-UHFFFAOYSA-N 0 2 423.466 3.600 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)ccc1Br ZINC000760359579 1072277167 /nfs/dbraw/zinc/27/71/67/1072277167.db2.gz DZVBJCDDHUHXJB-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)c1F ZINC000760360581 1072277756 /nfs/dbraw/zinc/27/77/56/1072277756.db2.gz LYTIMFMUTWLBHA-UHFFFAOYSA-N 0 2 424.450 3.649 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(SC(=O)N(C)C)c2)c1F ZINC000760362997 1072279270 /nfs/dbraw/zinc/27/92/70/1072279270.db2.gz OQWFETMUOJHDQK-UHFFFAOYSA-N 0 2 413.452 3.617 20 5 HHBDLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000479136346 1072746869 /nfs/dbraw/zinc/74/68/69/1072746869.db2.gz KJYMGBNJAHOBOG-UHFFFAOYSA-N 0 2 414.867 3.773 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)nc1Br ZINC000783955778 1072892478 /nfs/dbraw/zinc/89/24/78/1072892478.db2.gz SAOICMMEJITFDX-UHFFFAOYSA-N 0 2 420.672 3.823 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000008149561 961449900 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HHBDLN O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000164762023 970451502 /nfs/dbraw/zinc/45/15/02/970451502.db2.gz JXKJWALNHLACRT-QHCPKHFHSA-N 0 2 419.437 3.510 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409901305 973363480 /nfs/dbraw/zinc/36/34/80/973363480.db2.gz CTGRSBCYDMLDBW-RDTXWAMCSA-N 0 2 403.232 3.906 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)c(Cl)c1 ZINC000430059077 977302762 /nfs/dbraw/zinc/30/27/62/977302762.db2.gz OBJAGKAMVYNZGX-UHFFFAOYSA-N 0 2 415.214 3.752 20 5 HHBDLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)s2)c1 ZINC000431332080 978217032 /nfs/dbraw/zinc/21/70/32/978217032.db2.gz ISEQPQLLTVEAPK-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)ccc1[N+](=O)[O-] ZINC000431333816 978217545 /nfs/dbraw/zinc/21/75/45/978217545.db2.gz SXCRVFSQFHGDLM-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436883585 981600780 /nfs/dbraw/zinc/60/07/80/981600780.db2.gz GNGAUVRBIFZMAM-UHFFFAOYSA-N 0 2 409.398 3.816 20 5 HHBDLN COc1cc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccncc1 ZINC000436971548 981657043 /nfs/dbraw/zinc/65/70/43/981657043.db2.gz KLASIUBQZSSFGW-CQSZACIVSA-N 0 2 423.425 3.774 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000442210455 984729533 /nfs/dbraw/zinc/72/95/33/984729533.db2.gz AAPBGYNONBEHRO-UHFFFAOYSA-N 0 2 406.851 3.797 20 5 HHBDLN CCOc1cc(Br)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442348546 984854004 /nfs/dbraw/zinc/85/40/04/984854004.db2.gz KWQUXOROULMTFH-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCC(C)C)c1 ZINC000468351894 986048278 /nfs/dbraw/zinc/04/82/78/986048278.db2.gz WPDIFCJIXDCBKR-UHFFFAOYSA-N 0 2 422.459 3.607 20 5 HHBDLN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166169 986137532 /nfs/dbraw/zinc/13/75/32/986137532.db2.gz RHUXOMGNWZGFQQ-UHFFFAOYSA-N 0 2 408.201 3.704 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444250791 986445300 /nfs/dbraw/zinc/44/53/00/986445300.db2.gz SJJZTKIYIQSWGN-UHFFFAOYSA-N 0 2 411.320 3.826 20 5 HHBDLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463509492 986485399 /nfs/dbraw/zinc/48/53/99/986485399.db2.gz NWTKTPIDLDWVSP-UHFFFAOYSA-N 0 2 414.443 3.682 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)c2ncccc12 ZINC000463511018 986486905 /nfs/dbraw/zinc/48/69/05/986486905.db2.gz DCIWPNXLHPJRKP-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463512310 986488510 /nfs/dbraw/zinc/48/85/10/986488510.db2.gz KTSDNAZWEPKEKN-UHFFFAOYSA-N 0 2 414.443 3.538 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000468983693 986689695 /nfs/dbraw/zinc/68/96/95/986689695.db2.gz NWHCWVSARYOPBL-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN Cn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc2[nH+]c1C1CC1 ZINC000464421709 988593715 /nfs/dbraw/zinc/59/37/15/988593715.db2.gz VEUIBUJORCUSGQ-UHFFFAOYSA-N 0 2 423.454 3.708 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)c1C ZINC000470787819 988842796 /nfs/dbraw/zinc/84/27/96/988842796.db2.gz YNSVEKIRSKEOQQ-UHFFFAOYSA-N 0 2 400.460 3.721 20 5 HHBDLN CC(C)(c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000471524395 989724031 /nfs/dbraw/zinc/72/40/31/989724031.db2.gz YHQLXVFOKCSBOV-UHFFFAOYSA-N 0 2 404.473 3.573 20 5 HHBDLN CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cnn1-c1ccccc1 ZINC000466473881 991765317 /nfs/dbraw/zinc/76/53/17/991765317.db2.gz LZTGVGHCWMZKBN-UHFFFAOYSA-N 0 2 400.460 3.706 20 5 HHBDLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2)n1 ZINC000481597155 994445397 /nfs/dbraw/zinc/44/53/97/994445397.db2.gz MBSVLUBKXYQNSX-UHFFFAOYSA-N 0 2 414.443 3.903 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1C ZINC000481607005 994458845 /nfs/dbraw/zinc/45/88/45/994458845.db2.gz IYOHOICWLPHHHA-RBUKOAKNSA-N 0 2 420.487 3.695 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000476235884 996696106 /nfs/dbraw/zinc/69/61/06/996696106.db2.gz JHKCNVMIEHCAKQ-UHFFFAOYSA-N 0 2 401.322 3.864 20 5 HHBDLN O=c1c(Cl)c(/C=C/c2ccc([N+](=O)[O-])c(O)c2)nc2ccc(Br)cn12 ZINC000486030148 998477676 /nfs/dbraw/zinc/47/76/76/998477676.db2.gz VYPNDLVNWDBJQC-DAFODLJHSA-N 0 2 422.622 3.895 20 5 HHBDLN Cn1cc(-c2cc(F)ccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000478700935 999095736 /nfs/dbraw/zinc/09/57/36/999095736.db2.gz HJXSDLXJGWUQBH-UHFFFAOYSA-N 0 2 410.814 3.589 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000479170298 999307643 /nfs/dbraw/zinc/30/76/43/999307643.db2.gz PEIJABCDDPUVRY-FPLPWBNLSA-N 0 2 406.445 3.573 20 5 HHBDLN C[C@H](Cc1cncc2ccccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496057197 1001118527 /nfs/dbraw/zinc/11/85/27/1001118527.db2.gz XWGUKHUCXJNRQI-CYBMUJFWSA-N 0 2 402.414 3.745 20 5 HHBDLN O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506032271 1001177320 /nfs/dbraw/zinc/17/73/20/1001177320.db2.gz WIVOQQVHORKXIE-UHFFFAOYSA-N 0 2 410.455 3.568 20 5 HHBDLN O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506032271 1001177322 /nfs/dbraw/zinc/17/73/22/1001177322.db2.gz WIVOQQVHORKXIE-UHFFFAOYSA-N 0 2 410.455 3.568 20 5 HHBDLN C[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092234 1001802653 /nfs/dbraw/zinc/80/26/53/1001802653.db2.gz ZYLHFXMLXNLPAZ-KPZWWZAWSA-N 0 2 407.829 3.516 20 5 HHBDLN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000507092234 1001802664 /nfs/dbraw/zinc/80/26/64/1001802664.db2.gz ZYLHFXMLXNLPAZ-KPZWWZAWSA-N 0 2 407.829 3.516 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)c1[N+](=O)[O-] ZINC000507594993 1002202193 /nfs/dbraw/zinc/20/21/93/1002202193.db2.gz 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Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000511737887 1005300005 /nfs/dbraw/zinc/30/00/05/1005300005.db2.gz NDTYMOMPGURLAR-INIZCTEOSA-N 0 2 406.460 3.652 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000534056988 1006028268 /nfs/dbraw/zinc/02/82/68/1006028268.db2.gz SDHPZESGYDOPNA-OAHLLOKOSA-N 0 2 424.240 3.851 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn32)c1C ZINC000531277888 1006089035 /nfs/dbraw/zinc/08/90/35/1006089035.db2.gz JFPAFHTUXSAYGX-UHFFFAOYSA-N 0 2 423.454 3.722 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3ncccc3c2)c(Br)c1 ZINC000534206375 1006199769 /nfs/dbraw/zinc/19/97/69/1006199769.db2.gz CFHXSJSGUOIWFX-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(F)c3ncccc32)c1 ZINC000515630327 1006567651 /nfs/dbraw/zinc/56/76/51/1006567651.db2.gz ZYEWCYSOQCGWNY-UHFFFAOYSA-N 0 2 413.333 3.684 20 5 HHBDLN CCN(CC)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000516343712 1007029879 /nfs/dbraw/zinc/02/98/79/1007029879.db2.gz RZXVANBXPIAHTM-OAHLLOKOSA-N 0 2 417.940 3.671 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000539115140 1007402128 /nfs/dbraw/zinc/40/21/28/1007402128.db2.gz MLTQDHASYUQSRG-UHFFFAOYSA-N 0 2 414.439 3.983 20 5 HHBDLN CCOc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1OC ZINC000533327305 1007638814 /nfs/dbraw/zinc/63/88/14/1007638814.db2.gz MFTZPZJRARWXNI-UHFFFAOYSA-N 0 2 420.365 3.822 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(SC)c(Cl)c1 ZINC000543162898 1008737699 /nfs/dbraw/zinc/73/76/99/1008737699.db2.gz PBNVKDWZGYQATO-UHFFFAOYSA-N 0 2 416.864 3.558 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)cc1[N+](=O)[O-] ZINC000549607083 1009234416 /nfs/dbraw/zinc/23/44/16/1009234416.db2.gz HPPNGIBTPFOKOC-UHFFFAOYSA-N 0 2 409.420 3.667 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1 ZINC000543641067 1009244739 /nfs/dbraw/zinc/24/47/39/1009244739.db2.gz CZARPCUTYDOROB-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN COc1ccc(Br)c2[nH]c(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000547862991 1010455886 /nfs/dbraw/zinc/45/58/86/1010455886.db2.gz KVJCZJFURXJJIJ-UHFFFAOYSA-N 0 2 406.192 3.805 20 5 HHBDLN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000548088766 1010526273 /nfs/dbraw/zinc/52/62/73/1010526273.db2.gz KFATWZSAFOYGLZ-UHFFFAOYSA-N 0 2 409.373 3.622 20 5 HHBDLN CC(C)(C)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1[N+](=O)[O-] ZINC000551476866 1010610766 /nfs/dbraw/zinc/61/07/66/1010610766.db2.gz BGSMGGUNRPTXKU-UHFFFAOYSA-N 0 2 421.450 3.717 20 5 HHBDLN COc1c(Br)cc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000548445264 1010630174 /nfs/dbraw/zinc/63/01/74/1010630174.db2.gz GHTOEXQPUZQHMW-UHFFFAOYSA-N 0 2 401.600 3.977 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000541586344 1012377356 /nfs/dbraw/zinc/37/73/56/1012377356.db2.gz RAHVDPQNNFXBNP-INIZCTEOSA-N 0 2 419.437 3.945 20 5 HHBDLN Cc1sc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000552564809 1012575084 /nfs/dbraw/zinc/57/50/84/1012575084.db2.gz ZNFWZRTUISNXDV-UHFFFAOYSA-N 0 2 424.438 3.869 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000523881684 1012582195 /nfs/dbraw/zinc/58/21/95/1012582195.db2.gz NDMCMHRKDUMPNW-UHFFFAOYSA-N 0 2 424.438 3.719 20 5 HHBDLN CC1CCN(c2ccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)cc2[N+](=O)[O-])CC1 ZINC000552628601 1012629393 /nfs/dbraw/zinc/62/93/93/1012629393.db2.gz NEGWAFCKNWFNGZ-UHFFFAOYSA-N 0 2 422.445 3.574 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c(F)c1 ZINC000541825265 1012710834 /nfs/dbraw/zinc/71/08/34/1012710834.db2.gz YWBYLPPSANYOPH-ZDUSSCGKSA-N 0 2 414.283 3.594 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c(F)c1 ZINC000541825264 1012711412 /nfs/dbraw/zinc/71/14/12/1012711412.db2.gz YWBYLPPSANYOPH-CYBMUJFWSA-N 0 2 414.283 3.594 20 5 HHBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000537393622 1012876411 /nfs/dbraw/zinc/87/64/11/1012876411.db2.gz CUFSJFVUTKBMME-UHFFFAOYSA-N 0 2 403.485 3.627 20 5 HHBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000570376613 1072233321 /nfs/dbraw/zinc/23/33/21/1072233321.db2.gz DDMZWFVOJVDVFZ-IBGZPJMESA-N 0 2 422.485 3.756 20 5 HHBDLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1C ZINC000760344418 1072267607 /nfs/dbraw/zinc/26/76/07/1072267607.db2.gz MOZZZRSLBLYOHG-UHFFFAOYSA-N 0 2 409.439 3.890 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc4ccccc43)o2)cc1[N+](=O)[O-] ZINC000570909735 1072409926 /nfs/dbraw/zinc/40/99/26/1072409926.db2.gz YMVLMPZPGIJZKP-UHFFFAOYSA-N 0 2 424.438 3.831 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000537766653 1013330271 /nfs/dbraw/zinc/33/02/71/1013330271.db2.gz DVRKXNLXXMOCOO-LLVKDONJSA-N 0 2 410.213 3.599 20 5 HHBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717880 1013568722 /nfs/dbraw/zinc/56/87/22/1013568722.db2.gz SOOBNLSKARZHAS-APPDUMDISA-N 0 2 410.348 3.921 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn32)c1 ZINC000542712884 1013625190 /nfs/dbraw/zinc/62/51/90/1013625190.db2.gz PYTFBVXSJZUGRC-UHFFFAOYSA-N 0 2 423.454 3.722 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065857423 968683985 /nfs/dbraw/zinc/68/39/85/968683985.db2.gz MYLBSLPMGBHMAX-QGZVFWFLSA-N 0 2 416.459 3.686 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1C ZINC000072035786 968948010 /nfs/dbraw/zinc/94/80/10/968948010.db2.gz VZYACTHTEOEFCE-QGZVFWFLSA-N 0 2 416.459 3.740 20 5 HHBDLN O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)N1 ZINC000164762136 970450911 /nfs/dbraw/zinc/45/09/11/970450911.db2.gz JXKJWALNHLACRT-HSZRJFAPSA-N 0 2 419.437 3.510 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000409592505 973040646 /nfs/dbraw/zinc/04/06/46/973040646.db2.gz DEZYSXBKJZUWPV-UHFFFAOYSA-N 0 2 420.878 3.856 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000409901298 973363378 /nfs/dbraw/zinc/36/33/78/973363378.db2.gz CTGRSBCYDMLDBW-KBXCAEBGSA-N 0 2 403.232 3.906 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000410407109 974006264 /nfs/dbraw/zinc/00/62/64/974006264.db2.gz NCXRLAOZZLZABH-UHFFFAOYSA-N 0 2 406.338 3.535 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000427697401 975242239 /nfs/dbraw/zinc/24/22/39/975242239.db2.gz MZWDCIZFXVZKPV-UHFFFAOYSA-N 0 2 401.600 3.977 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)c(C)c1 ZINC000431323758 978208359 /nfs/dbraw/zinc/20/83/59/978208359.db2.gz POXOVFYTGXTGBJ-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436892317 981603512 /nfs/dbraw/zinc/60/35/12/981603512.db2.gz JENBFFCYOXQOBN-UHFFFAOYSA-N 0 2 409.236 3.604 20 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C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000462656015 985596014 /nfs/dbraw/zinc/59/60/14/985596014.db2.gz KIOLOOCDSXFQDX-SSDOTTSWSA-N 0 2 423.278 3.622 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000468355629 986052529 /nfs/dbraw/zinc/05/25/29/986052529.db2.gz BFIYGPFGHRDRMB-GFCCVEGCSA-N 0 2 414.867 3.771 20 5 HHBDLN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463509803 986486042 /nfs/dbraw/zinc/48/60/42/986486042.db2.gz SABMEIYRTDGEPO-UHFFFAOYSA-N 0 2 414.443 3.538 20 5 HHBDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000463513780 986490304 /nfs/dbraw/zinc/49/03/04/986490304.db2.gz FDHMZKGUVHHDLL-UHFFFAOYSA-N 0 2 420.834 3.556 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000469061947 986774155 /nfs/dbraw/zinc/77/41/55/986774155.db2.gz VGRSGSNUTNZVQA-GFCCVEGCSA-N 0 2 414.867 3.771 20 5 HHBDLN CC(C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2C1 ZINC000464416848 988588186 /nfs/dbraw/zinc/58/81/86/988588186.db2.gz FJLOJVQZJMLYFU-UHFFFAOYSA-N 0 2 412.471 3.668 20 5 HHBDLN CCCCc1cc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000471518989 989718393 /nfs/dbraw/zinc/71/83/93/989718393.db2.gz DFWFZVOKJRLQFS-UHFFFAOYSA-N 0 2 417.285 3.532 20 5 HHBDLN Cn1ccc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)c21 ZINC000471565543 989765919 /nfs/dbraw/zinc/76/59/19/989765919.db2.gz JIXOOKRMAFVDSC-UHFFFAOYSA-N 0 2 410.249 3.650 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000481061680 993902315 /nfs/dbraw/zinc/90/23/15/993902315.db2.gz PWXATIIVHMJXBQ-UHFFFAOYSA-N 0 2 409.489 3.624 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c(C(F)(F)F)c1 ZINC000473757649 994667971 /nfs/dbraw/zinc/66/79/71/994667971.db2.gz UYSDRKJHSQIWKH-UHFFFAOYSA-N 0 2 421.300 3.890 20 5 HHBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000481862042 994720915 /nfs/dbraw/zinc/72/09/15/994720915.db2.gz USLXONMOLMEYHQ-UHFFFAOYSA-N 0 2 408.436 3.670 20 5 HHBDLN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483438717 996179197 /nfs/dbraw/zinc/17/91/97/996179197.db2.gz CHDLVWYGHFQEEX-UHFFFAOYSA-N 0 2 405.819 3.537 20 5 HHBDLN CCCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1-c1cccc(Cl)c1 ZINC000483443962 996183010 /nfs/dbraw/zinc/18/30/10/996183010.db2.gz SFKJXJBDIMSOOL-UHFFFAOYSA-N 0 2 401.810 3.739 20 5 HHBDLN Cc1c(NS(=O)(=O)c2ccc(F)cc2F)cc(Br)cc1[N+](=O)[O-] ZINC000485396809 997825457 /nfs/dbraw/zinc/82/54/57/997825457.db2.gz OCRDUWPBZDKNIW-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN CC[C@@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613974 998858128 /nfs/dbraw/zinc/85/81/28/998858128.db2.gz CDDGSUVUZQBJRR-HTQZYQBOSA-N 0 2 422.294 3.573 20 5 HHBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486613974 998858138 /nfs/dbraw/zinc/85/81/38/998858138.db2.gz CDDGSUVUZQBJRR-HTQZYQBOSA-N 0 2 422.294 3.573 20 5 HHBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1C1CC1 ZINC000488274594 999419684 /nfs/dbraw/zinc/41/96/84/999419684.db2.gz TZHNJUDTZQFAJR-JTQLQIEISA-N 0 2 412.443 3.588 20 5 HHBDLN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000480203143 999744171 /nfs/dbraw/zinc/74/41/71/999744171.db2.gz YZAKOMFOBGYJFQ-UHFFFAOYSA-N 0 2 407.231 3.720 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000490372034 999946602 /nfs/dbraw/zinc/94/66/02/999946602.db2.gz QRBNUXWZQNHIHP-UHFFFAOYSA-N 0 2 424.417 3.819 20 5 HHBDLN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505099937 1000549788 /nfs/dbraw/zinc/54/97/88/1000549788.db2.gz XTUPQZPRSYEFDB-UHFFFAOYSA-N 0 2 411.393 3.677 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1csc(Cc2cccc(F)c2)n1 ZINC000506196370 1001272292 /nfs/dbraw/zinc/27/22/92/1001272292.db2.gz YECRGQBNTBJYIE-UHFFFAOYSA-N 0 2 424.417 3.819 20 5 HHBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)=N1 ZINC000497580478 1001445174 /nfs/dbraw/zinc/44/51/74/1001445174.db2.gz CUQXAIKVDPYJME-UHFFFAOYSA-N 0 2 410.405 3.738 20 5 HHBDLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000506846371 1001562283 /nfs/dbraw/zinc/56/22/83/1001562283.db2.gz JLTXLZKWPSKERO-UHFFFAOYSA-N 0 2 420.365 3.569 20 5 HHBDLN Cc1cccc2nc(CNS(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[nH]c21 ZINC000497948145 1001575782 /nfs/dbraw/zinc/57/57/82/1001575782.db2.gz FOKQPXRRRPPRSH-UHFFFAOYSA-N 0 2 415.258 3.565 20 5 HHBDLN CN(C(=O)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000507144667 1001835659 /nfs/dbraw/zinc/83/56/59/1001835659.db2.gz RDUZKUDVYDDPGC-UHFFFAOYSA-N 0 2 405.410 3.758 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000508074270 1002596063 /nfs/dbraw/zinc/59/60/63/1002596063.db2.gz OKVXGAYIGOGRFB-UHFFFAOYSA-N 0 2 413.864 3.976 20 5 HHBDLN CC(C)N(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000500825901 1003984520 /nfs/dbraw/zinc/98/45/20/1003984520.db2.gz ZERFPPKFGDWDJP-UHFFFAOYSA-N 0 2 400.460 3.788 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000512340803 1004228950 /nfs/dbraw/zinc/22/89/50/1004228950.db2.gz CTUORCHWEGOVIJ-UHFFFAOYSA-N 0 2 424.891 3.552 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)c(Cl)c1 ZINC000511143346 1005042714 /nfs/dbraw/zinc/04/27/14/1005042714.db2.gz GRKGFDZNRXBBKG-UHFFFAOYSA-N 0 2 413.242 3.888 20 5 HHBDLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000502470701 1005085768 /nfs/dbraw/zinc/08/57/68/1005085768.db2.gz CODZTXKJGRXIDQ-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000534069522 1006040975 /nfs/dbraw/zinc/04/09/75/1006040975.db2.gz MVSYVZVFBLVBTB-UHFFFAOYSA-N 0 2 424.862 3.679 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000538497403 1006765606 /nfs/dbraw/zinc/76/56/06/1006765606.db2.gz SCEFEPVKERKBNN-UHFFFAOYSA-N 0 2 421.475 3.779 20 5 HHBDLN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534803153 1006806933 /nfs/dbraw/zinc/80/69/33/1006806933.db2.gz QODQEAZOPNFLCK-SJAGGWKPSA-N 0 2 415.490 3.596 20 5 HHBDLN CC(C)c1[nH]nc(C(=O)Nc2c(O)cc(Br)cc2Cl)c1[N+](=O)[O-] ZINC000517907158 1008050350 /nfs/dbraw/zinc/05/03/50/1008050350.db2.gz SESWAPZVXGUDNG-UHFFFAOYSA-N 0 2 403.620 3.815 20 5 HHBDLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000539856604 1008143916 /nfs/dbraw/zinc/14/39/16/1008143916.db2.gz SJRFPISKKOBDFY-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c(Cl)c1 ZINC000519120543 1008547673 /nfs/dbraw/zinc/54/76/73/1008547673.db2.gz DNRXXXQXWYKZCT-UHFFFAOYSA-N 0 2 410.757 3.990 20 5 HHBDLN CC(C)(C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000545863810 1008950417 /nfs/dbraw/zinc/95/04/17/1008950417.db2.gz KBTNTELJOGKTRI-UHFFFAOYSA-N 0 2 405.336 3.714 20 5 HHBDLN Cc1ccccc1CCc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000544079832 1009686227 /nfs/dbraw/zinc/68/62/27/1009686227.db2.gz VMXSNRNHJPGFEZ-UHFFFAOYSA-N 0 2 400.460 3.521 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1cc(C)ccn1 ZINC000546887459 1009846302 /nfs/dbraw/zinc/84/63/02/1009846302.db2.gz MSVJGYGAGGOBLR-UHFFFAOYSA-N 0 2 415.475 3.546 20 5 HHBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC(C)C ZINC000546887667 1009846923 /nfs/dbraw/zinc/84/69/23/1009846923.db2.gz FHFKAAGYFOYTAX-UHFFFAOYSA-N 0 2 400.840 3.845 20 5 HHBDLN CC(C)Oc1ccccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000520872644 1009925967 /nfs/dbraw/zinc/92/59/67/1009925967.db2.gz YBVOEXBELLLGMV-UHFFFAOYSA-N 0 2 415.265 3.945 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000521415865 1010363657 /nfs/dbraw/zinc/36/36/57/1010363657.db2.gz RGFSCRCXRLVIGH-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000522959548 1011407922 /nfs/dbraw/zinc/40/79/22/1011407922.db2.gz BREWPMKJAXHFAA-UHFFFAOYSA-N 0 2 406.460 3.509 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Br)cc(Cl)c1O ZINC000536415124 1011630314 /nfs/dbraw/zinc/63/03/14/1011630314.db2.gz VYNTVJYDMNBFFS-UHFFFAOYSA-N 0 2 421.656 3.826 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000541304742 1012009936 /nfs/dbraw/zinc/00/99/36/1012009936.db2.gz MBKFUOVCFVPDNX-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN CC(C)Oc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000536892979 1012146033 /nfs/dbraw/zinc/14/60/33/1012146033.db2.gz JKRTTWNATCPGJT-UHFFFAOYSA-N 0 2 402.432 3.573 20 5 HHBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC(C)C)cc([N+](=O)[O-])c1C ZINC000523815081 1012493556 /nfs/dbraw/zinc/49/35/56/1012493556.db2.gz VIMISPVZANYVHE-UHFFFAOYSA-N 0 2 422.459 3.668 20 5 HHBDLN COc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1[N+](=O)[O-] ZINC000541799809 1012678218 /nfs/dbraw/zinc/67/82/18/1012678218.db2.gz CKLAQBWJBCBBQI-UHFFFAOYSA-N 0 2 419.850 3.519 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000537351005 1012817446 /nfs/dbraw/zinc/81/74/46/1012817446.db2.gz DQZWTESMCMIJDD-UHFFFAOYSA-N 0 2 413.333 3.842 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cnn1-c1ccccc1 ZINC000542092404 1013017340 /nfs/dbraw/zinc/01/73/40/1013017340.db2.gz JPLHZXKCOGRQEP-UHFFFAOYSA-N 0 2 416.459 3.542 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1-c1ccccc1 ZINC000542092465 1013018200 /nfs/dbraw/zinc/01/82/00/1013018200.db2.gz BJQSYSUYSLZGKU-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN O=C(NCC1(c2ccc(Br)s2)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000553066238 1013039879 /nfs/dbraw/zinc/03/98/79/1013039879.db2.gz VLNWURGOTKMVSF-UHFFFAOYSA-N 0 2 411.277 3.976 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c1F ZINC000760361236 1072278708 /nfs/dbraw/zinc/27/87/08/1072278708.db2.gz TVCZPWQFGQFZHD-IAGOWNOFSA-N 0 2 424.450 3.525 20 5 HHBDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000556037239 1074057859 /nfs/dbraw/zinc/05/78/59/1074057859.db2.gz RBYONLAELWNEJU-UHFFFAOYSA-N 0 2 406.386 3.657 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1[C@@H](C)CC[C@@H]1C ZINC000301893334 971102198 /nfs/dbraw/zinc/10/21/98/971102198.db2.gz MRXPVFFKAOWPDL-KBPBESRZSA-N 0 2 405.476 3.781 20 5 HHBDLN CC(C)c1csc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000303336193 971639261 /nfs/dbraw/zinc/63/92/61/971639261.db2.gz UTEKUUWPYHDBGO-UHFFFAOYSA-N 0 2 406.283 3.738 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000542235962 1013192750 /nfs/dbraw/zinc/19/27/50/1013192750.db2.gz BXDJVQGERBOYIG-UHFFFAOYSA-N 0 2 420.443 3.504 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ncccc2Cl)c1C(F)F ZINC000537768615 1013330713 /nfs/dbraw/zinc/33/07/13/1013330713.db2.gz OCJQSXWDUGYFMZ-UHFFFAOYSA-N 0 2 409.736 3.724 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000537768953 1013330995 /nfs/dbraw/zinc/33/09/95/1013330995.db2.gz PPSOQHVOJZGCNZ-HNNXBMFYSA-N 0 2 424.240 3.851 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000537769456 1013331448 /nfs/dbraw/zinc/33/14/48/1013331448.db2.gz HPSMCKDOXLDFKL-MNEFBYGVSA-N 0 2 409.442 3.712 20 5 HHBDLN O=C1c2ccccc2N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N1c1ccc2c(c1)OCCO2 ZINC000021360518 963455137 /nfs/dbraw/zinc/45/51/37/963455137.db2.gz JMWSVTUKZLVNKV-OAQYLSRUSA-N 0 2 419.393 3.843 20 5 HHBDLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000538016172 1013588462 /nfs/dbraw/zinc/58/84/62/1013588462.db2.gz YENCXZQATHLPMB-UHFFFAOYSA-N 0 2 423.878 3.738 20 5 HHBDLN CN(C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000042653509 966821340 /nfs/dbraw/zinc/82/13/40/966821340.db2.gz ZMBDPYKPJHTJQO-UHFFFAOYSA-N 0 2 411.439 3.672 20 5 HHBDLN O=C(Nc1ccccc1F)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000046705453 967930839 /nfs/dbraw/zinc/93/08/39/967930839.db2.gz SEBUOEZNRIGPTR-UHFFFAOYSA-N 0 2 415.402 3.787 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccccc3Br)sc2c1 ZINC000319975404 972675001 /nfs/dbraw/zinc/67/50/01/972675001.db2.gz CTCREBZBHPJWBC-UHFFFAOYSA-N 0 2 414.262 3.768 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Br)sc1C ZINC000388107239 972804030 /nfs/dbraw/zinc/80/40/30/972804030.db2.gz WLSYMYODTGIEHX-UHFFFAOYSA-N 0 2 407.267 3.537 20 5 HHBDLN CCc1ccccc1N1CC(=O)C(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)=N1 ZINC000427569452 975190702 /nfs/dbraw/zinc/19/07/02/975190702.db2.gz AJNHOFMMAIRBCD-UHFFFAOYSA-N 0 2 406.442 3.853 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)o2)cc1F ZINC000430087420 977314324 /nfs/dbraw/zinc/31/43/24/977314324.db2.gz HEJPPSPSTWWDPK-UHFFFAOYSA-N 0 2 406.395 3.510 20 5 HHBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc(OC)c1C ZINC000431165905 978066837 /nfs/dbraw/zinc/06/68/37/978066837.db2.gz HUCBWUKOWDLWJA-UHFFFAOYSA-N 0 2 420.365 3.740 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000431321730 978206780 /nfs/dbraw/zinc/20/67/80/978206780.db2.gz FQIKYHBZHUPGIF-UHFFFAOYSA-N 0 2 422.513 3.848 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)ccc1[N+](=O)[O-] ZINC000431341547 978222926 /nfs/dbraw/zinc/22/29/26/978222926.db2.gz KCLWHYAOHYQVFZ-UHFFFAOYSA-N 0 2 422.513 3.848 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000435141267 980673861 /nfs/dbraw/zinc/67/38/61/980673861.db2.gz YSJYPXVKVRUOJA-UHFFFAOYSA-N 0 2 404.423 3.591 20 5 HHBDLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccccc1 ZINC000436707737 981522778 /nfs/dbraw/zinc/52/27/78/981522778.db2.gz YMECFSYKPHQJNO-UHFFFAOYSA-N 0 2 424.413 3.694 20 5 HHBDLN O=C(NC1(Cc2ccc(F)cc2Cl)CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436715405 981527572 /nfs/dbraw/zinc/52/75/72/981527572.db2.gz KYXHVVRFMJXKFZ-UHFFFAOYSA-N 0 2 408.813 3.615 20 5 HHBDLN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000436852193 981591389 /nfs/dbraw/zinc/59/13/89/981591389.db2.gz OGZNFXSLBLXYRI-UHFFFAOYSA-N 0 2 403.398 3.810 20 5 HHBDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCOc4ccc([N+](=O)[O-])cc4C3)=N2)cc1 ZINC000461394368 983067469 /nfs/dbraw/zinc/06/74/69/983067469.db2.gz JJWSJXBQHXKSKJ-UHFFFAOYSA-N 0 2 422.441 3.644 20 5 HHBDLN COc1ccc(-c2ncc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)s2)cc1 ZINC000439192325 983301877 /nfs/dbraw/zinc/30/18/77/983301877.db2.gz WMVWKLQAXYGVPU-UHFFFAOYSA-N 0 2 422.426 3.764 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000468365078 986063612 /nfs/dbraw/zinc/06/36/12/986063612.db2.gz QTUGQIKOXARBCY-LBPRGKRZSA-N 0 2 414.867 3.771 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000468376812 986076374 /nfs/dbraw/zinc/07/63/74/986076374.db2.gz HWRBSHSOQQHSAY-NSHDSACASA-N 0 2 414.867 3.771 20 5 HHBDLN 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ZINC000470456605 988439952 /nfs/dbraw/zinc/43/99/52/988439952.db2.gz QNWNPRMXGGLAHH-LBPRGKRZSA-N 0 2 412.851 3.525 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c2ncccc12 ZINC000464422237 988593630 /nfs/dbraw/zinc/59/36/30/988593630.db2.gz YJQQYNWOWMXPPI-UHFFFAOYSA-N 0 2 419.369 3.758 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000464838539 989081605 /nfs/dbraw/zinc/08/16/05/989081605.db2.gz OHTDWZKVHSFUGT-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN Cc1csc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1I ZINC000471292347 989451175 /nfs/dbraw/zinc/45/11/75/989451175.db2.gz MGGCIPXTAYJBHG-UHFFFAOYSA-N 0 2 404.185 3.527 20 5 HHBDLN Cc1ccc(-n2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cn2)c(C)c1 ZINC000466403745 991699031 /nfs/dbraw/zinc/69/90/31/991699031.db2.gz IQLFBVPPIJYPET-UHFFFAOYSA-N 0 2 423.454 3.746 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000473405654 994259225 /nfs/dbraw/zinc/25/92/25/994259225.db2.gz FVPOGPULHREYGW-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN COc1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1SC ZINC000482780174 995743968 /nfs/dbraw/zinc/74/39/68/995743968.db2.gz JNJQCLMYUONVND-UHFFFAOYSA-N 0 2 402.457 3.518 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484104688 996572839 /nfs/dbraw/zinc/57/28/39/996572839.db2.gz KALGWKRVKWRYNA-UHFFFAOYSA-N 0 2 409.427 3.642 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c([N+](=O)[O-])c1 ZINC000477440040 998138887 /nfs/dbraw/zinc/13/88/87/998138887.db2.gz RGNJPWHXLRHJDT-UHFFFAOYSA-N 0 2 403.416 3.676 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000486020079 998466486 /nfs/dbraw/zinc/46/64/86/998466486.db2.gz XRSCFEQGCBLYIR-UHFFFAOYSA-N 0 2 419.242 3.797 20 5 HHBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000480221820 999748897 /nfs/dbraw/zinc/74/88/97/999748897.db2.gz IVFPUSDAHGBCJG-SECBINFHSA-N 0 2 417.285 3.634 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1-c1cccc(C)c1 ZINC000480244257 999754941 /nfs/dbraw/zinc/75/49/41/999754941.db2.gz GERGSODFXZJVKI-UHFFFAOYSA-N 0 2 400.460 3.761 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000490608560 999983640 /nfs/dbraw/zinc/98/36/40/999983640.db2.gz SHTJCWYEGRGUJA-UHFFFAOYSA-N 0 2 416.821 3.950 20 5 HHBDLN COc1c(S(=O)(=O)Nc2ccsc2)cc(Br)c(C)c1[N+](=O)[O-] ZINC000491829905 1000096265 /nfs/dbraw/zinc/09/62/65/1000096265.db2.gz BBQLITHAKFHIGK-UHFFFAOYSA-N 0 2 407.267 3.537 20 5 HHBDLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)s2)cc1 ZINC000493004286 1000153583 /nfs/dbraw/zinc/15/35/83/1000153583.db2.gz ONDAHCJLMLGHPZ-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN COc1cc(CCC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000505782858 1001021267 /nfs/dbraw/zinc/02/12/67/1001021267.db2.gz KYWIRRITNJKROD-UHFFFAOYSA-N 0 2 414.458 3.803 20 5 HHBDLN Cc1cccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccn2)c1 ZINC000497933590 1001570395 /nfs/dbraw/zinc/57/03/95/1001570395.db2.gz DQQTVKKISFDZGN-SFHVURJKSA-N 0 2 401.419 3.505 20 5 HHBDLN COc1cc(Br)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000498485596 1001911525 /nfs/dbraw/zinc/91/15/25/1001911525.db2.gz SWXZPQRESMJVII-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c([N+](=O)[O-])c1 ZINC000507307748 1001987858 /nfs/dbraw/zinc/98/78/58/1001987858.db2.gz ZCOXXBSMOSGQEA-UHFFFAOYSA-N 0 2 419.484 3.893 20 5 HHBDLN CC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000507618942 1002223920 /nfs/dbraw/zinc/22/39/20/1002223920.db2.gz FIYPFOJTYNEOAQ-UHFFFAOYSA-N 0 2 406.313 3.756 20 5 HHBDLN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2s1 ZINC000507774342 1002337356 /nfs/dbraw/zinc/33/73/56/1002337356.db2.gz XDVLNJXIWHLACG-UHFFFAOYSA-N 0 2 400.416 3.901 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c(Br)c1 ZINC000499266107 1002670309 /nfs/dbraw/zinc/67/03/09/1002670309.db2.gz MMJPUGSGIBQCJA-UHFFFAOYSA-N 0 2 424.232 3.813 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000500160237 1003514183 /nfs/dbraw/zinc/51/41/83/1003514183.db2.gz CIKRNXSFAHPRRF-UHFFFAOYSA-N 0 2 424.438 3.719 20 5 HHBDLN COc1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1OC1CCCC1 ZINC000500162839 1003516550 /nfs/dbraw/zinc/51/65/50/1003516550.db2.gz LPNJMZIALRWVFD-UHFFFAOYSA-N 0 2 424.450 3.542 20 5 HHBDLN O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccoc1 ZINC000500346474 1003644688 /nfs/dbraw/zinc/64/46/88/1003644688.db2.gz YAKSQJCPECHEJN-UHFFFAOYSA-N 0 2 421.818 3.894 20 5 HHBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504247245 1005581565 /nfs/dbraw/zinc/58/15/65/1005581565.db2.gz QTADGJQKYOIUSS-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000534060236 1006031382 /nfs/dbraw/zinc/03/13/82/1006031382.db2.gz SKVORRHZDTVGDG-UHFFFAOYSA-N 0 2 418.475 3.588 20 5 HHBDLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000515635397 1006570943 /nfs/dbraw/zinc/57/09/43/1006570943.db2.gz UWDWQTXRIBHOPF-UHFFFAOYSA-N 0 2 422.793 3.967 20 5 HHBDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000534941836 1006983068 /nfs/dbraw/zinc/98/30/68/1006983068.db2.gz AMYXRSPFEWTYIH-VIFPVBQESA-N 0 2 404.370 3.582 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000535513001 1007565721 /nfs/dbraw/zinc/56/57/21/1007565721.db2.gz CWHNPQMLSMMVEX-UHFFFAOYSA-N 0 2 400.416 3.543 20 5 HHBDLN COc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000518188070 1008199903 /nfs/dbraw/zinc/19/99/03/1008199903.db2.gz BEGFYXDUNZWHSI-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN CCNc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1[N+](=O)[O-] ZINC000518901507 1008466171 /nfs/dbraw/zinc/46/61/71/1008466171.db2.gz VGFJRCPAEXYDMX-UHFFFAOYSA-N 0 2 403.851 3.873 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1-c1cc(C)ccn1 ZINC000545472371 1008579260 /nfs/dbraw/zinc/57/92/60/1008579260.db2.gz WTLSRFCHPDLGJI-UHFFFAOYSA-N 0 2 415.475 3.546 20 5 HHBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N=c1nc(-c2ccsc2)[nH]s1 ZINC000544076180 1009681401 /nfs/dbraw/zinc/68/14/01/1009681401.db2.gz WSEPWKCIIPYKGX-UHFFFAOYSA-N 0 2 412.905 3.981 20 5 HHBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000551116209 1010379853 /nfs/dbraw/zinc/37/98/53/1010379853.db2.gz UTFRXFGNOCAQIQ-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000521455989 1010383784 /nfs/dbraw/zinc/38/37/84/1010383784.db2.gz YFMXSYXEYDJUMK-UHFFFAOYSA-N 0 2 407.835 3.848 20 5 HHBDLN O=[N+]([O-])c1cccc(-n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccccc2)c1 ZINC000522829779 1011265328 /nfs/dbraw/zinc/26/53/28/1011265328.db2.gz YBBBGOGDUINUAB-UHFFFAOYSA-N 0 2 410.411 3.841 20 5 HHBDLN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541585568 1012375702 /nfs/dbraw/zinc/37/57/02/1012375702.db2.gz CJCFXJXQSHIKFS-SJAGGWKPSA-N 0 2 415.490 3.596 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000552521666 1012539201 /nfs/dbraw/zinc/53/92/01/1012539201.db2.gz QCFHWCGXDYZYIZ-IVZQSRNASA-N 0 2 420.425 3.544 20 5 HHBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541800175 1012677751 /nfs/dbraw/zinc/67/77/51/1012677751.db2.gz IKUGSYPQTWMBAJ-UHFFFAOYSA-N 0 2 403.851 3.853 20 5 HHBDLN CCCCc1nc2cc(NS(=O)(=O)c3cc(F)c(OC)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000488233397 1072143241 /nfs/dbraw/zinc/14/32/41/1072143241.db2.gz LFZSCDDHDAJUHT-UHFFFAOYSA-N 0 2 422.438 3.762 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3cccnc32)ccc1Br ZINC000760340763 1072263729 /nfs/dbraw/zinc/26/37/29/1072263729.db2.gz VXFLEIVGDLDGQY-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2ccccc2)c1 ZINC000574477796 1075252308 /nfs/dbraw/zinc/25/23/08/1075252308.db2.gz OCASTZDLOJTJFP-UHFFFAOYSA-N 0 2 412.423 3.849 20 5 HHBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000575054997 1075448805 /nfs/dbraw/zinc/44/88/05/1075448805.db2.gz BXRSRFXCUCAGFM-FQEVSTJZSA-N 0 2 422.485 3.756 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC=CCC1 ZINC000301317270 970864577 /nfs/dbraw/zinc/86/45/77/970864577.db2.gz AXWLFZMTPNWOIF-AWEZNQCLSA-N 0 2 403.460 3.925 20 5 HHBDLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000016101132 962944657 /nfs/dbraw/zinc/94/46/57/962944657.db2.gz HCRCJWVPYDEHSH-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000542516388 1013460322 /nfs/dbraw/zinc/46/03/22/1013460322.db2.gz UZRWQONWAUWBSO-UHFFFAOYSA-N 0 2 400.822 3.938 20 5 HHBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(N2CCSCC2)cc1C ZINC000050534724 964349505 /nfs/dbraw/zinc/34/95/05/964349505.db2.gz LHMOXTGNYHMBTC-UHFFFAOYSA-N 0 2 407.517 3.566 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000055575844 965932466 /nfs/dbraw/zinc/93/24/66/965932466.db2.gz ROZDAKYILLEFDD-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c(Cl)c1 ZINC000055585955 965939849 /nfs/dbraw/zinc/93/98/49/965939849.db2.gz UECRRJWCSDTWRR-UHFFFAOYSA-N 0 2 406.807 3.631 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000055633062 965977778 /nfs/dbraw/zinc/97/77/78/965977778.db2.gz BEANFCXXKSGYFG-UHFFFAOYSA-N 0 2 418.427 3.714 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C)C1 ZINC000036226962 966428342 /nfs/dbraw/zinc/42/83/42/966428342.db2.gz WYXCRLSXWPCYQH-CQSZACIVSA-N 0 2 405.476 3.641 20 5 HHBDLN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000069104844 968814846 /nfs/dbraw/zinc/81/48/46/968814846.db2.gz MNGRSBOPXPFBGT-UHFFFAOYSA-N 0 2 411.439 3.956 20 5 HHBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1Cl ZINC000109022212 969451255 /nfs/dbraw/zinc/45/12/55/969451255.db2.gz LMCZFHTZBOPHQU-INIZCTEOSA-N 0 2 422.850 3.777 20 5 HHBDLN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000216597232 970079473 /nfs/dbraw/zinc/07/94/73/970079473.db2.gz VBPOGTJONGNYEM-GOSISDBHSA-N 0 2 405.410 3.800 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ncc1Br ZINC000322274833 972698839 /nfs/dbraw/zinc/69/88/39/972698839.db2.gz PRXCZDKEZAVKBI-UHFFFAOYSA-N 0 2 420.672 3.823 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000326207561 972739886 /nfs/dbraw/zinc/73/98/86/972739886.db2.gz QJUKDAGDSMEKMP-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1Cc1cccc(F)c1 ZINC000409522841 972978304 /nfs/dbraw/zinc/97/83/04/972978304.db2.gz WRQGQGHWTCNACH-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409537673 972994309 /nfs/dbraw/zinc/99/43/09/972994309.db2.gz VSXGWVKHADDTED-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1[N+](=O)[O-] ZINC000409545531 973002635 /nfs/dbraw/zinc/00/26/35/973002635.db2.gz YZQOMTGAJKSKCS-UHFFFAOYSA-N 0 2 420.198 3.842 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000410404539 974004880 /nfs/dbraw/zinc/00/48/80/974004880.db2.gz HMSAMSNKUBTFLM-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000410410879 974009905 /nfs/dbraw/zinc/00/99/05/974009905.db2.gz ZPEYBIBHOGCUEA-UHFFFAOYSA-N 0 2 419.228 3.696 20 5 HHBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1noc(-c2ccccc2Cl)n1 ZINC000430063890 977304647 /nfs/dbraw/zinc/30/46/47/977304647.db2.gz FOQLVAMMTKQDGD-UHFFFAOYSA-N 0 2 415.214 3.752 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)c([N+](=O)[O-])c1 ZINC000435146602 980678256 /nfs/dbraw/zinc/67/82/56/980678256.db2.gz MZBLUGUCMLJMSA-UHFFFAOYSA-N 0 2 417.468 3.950 20 5 HHBDLN Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1c(Cl)cccc1Cl ZINC000436702388 981520506 /nfs/dbraw/zinc/52/05/06/981520506.db2.gz IBZVZWFLTLZCHV-UHFFFAOYSA-N 0 2 408.201 3.749 20 5 HHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccc(Br)cc1 ZINC000436704376 981521483 /nfs/dbraw/zinc/52/14/83/981521483.db2.gz ORERSJHZKSXTDU-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436959763 981648574 /nfs/dbraw/zinc/64/85/74/981648574.db2.gz OKOOHFGDVNZDFL-UHFFFAOYSA-N 0 2 424.457 3.628 20 5 HHBDLN O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436959632 981648590 /nfs/dbraw/zinc/64/85/90/981648590.db2.gz DQALMEWXRBXALL-UHFFFAOYSA-N 0 2 403.394 3.756 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436966617 981653684 /nfs/dbraw/zinc/65/36/84/981653684.db2.gz NXTAIQDOTYNCMN-CYBMUJFWSA-N 0 2 412.377 3.509 20 5 HHBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1-c1nnc2n1CCCCC2 ZINC000436971215 981657022 /nfs/dbraw/zinc/65/70/22/981657022.db2.gz HTHJDARCRCNEED-UHFFFAOYSA-N 0 2 407.430 3.846 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436972907 981658604 /nfs/dbraw/zinc/65/86/04/981658604.db2.gz QWCQHQNOABJWEQ-ZDUSSCGKSA-N 0 2 412.377 3.509 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000437001361 981678322 /nfs/dbraw/zinc/67/83/22/981678322.db2.gz OXMIRSKAZULCDB-SECBINFHSA-N 0 2 401.366 3.796 20 5 HHBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000437165816 981817451 /nfs/dbraw/zinc/81/74/51/981817451.db2.gz GZZIDQJLYUUVAF-UHFFFAOYSA-N 0 2 424.891 3.800 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000437682513 982295177 /nfs/dbraw/zinc/29/51/77/982295177.db2.gz VRDBOMWFGJRYCV-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000442305975 984802984 /nfs/dbraw/zinc/80/29/84/984802984.db2.gz MBUXGPWUVSXTLI-UHFFFAOYSA-N 0 2 412.349 3.600 20 5 HHBDLN Cn1ccc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)cc21 ZINC000442833380 985235179 /nfs/dbraw/zinc/23/51/79/985235179.db2.gz HQFNZOPOEMIHQJ-UHFFFAOYSA-N 0 2 410.249 3.650 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380470 985363222 /nfs/dbraw/zinc/36/32/22/985363222.db2.gz LPNFFULTHSDQBZ-CQSZACIVSA-N 0 2 419.503 3.764 20 5 HHBDLN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380470 985363234 /nfs/dbraw/zinc/36/32/34/985363234.db2.gz LPNFFULTHSDQBZ-CQSZACIVSA-N 0 2 419.503 3.764 20 5 HHBDLN COc1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462380470 985363245 /nfs/dbraw/zinc/36/32/45/985363245.db2.gz LPNFFULTHSDQBZ-CQSZACIVSA-N 0 2 419.503 3.764 20 5 HHBDLN CCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2C1 ZINC000463519623 986496719 /nfs/dbraw/zinc/49/67/19/986496719.db2.gz VBCJIJVGJKCTRT-UHFFFAOYSA-N 0 2 412.471 3.669 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c2ncccc12 ZINC000464413548 988583587 /nfs/dbraw/zinc/58/35/87/988583587.db2.gz XATVZRWJIYQHIS-UHFFFAOYSA-N 0 2 422.394 3.832 20 5 HHBDLN CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000464420210 988592265 /nfs/dbraw/zinc/59/22/65/988592265.db2.gz LVKMRQRDWZTCSO-UHFFFAOYSA-N 0 2 406.489 3.989 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481087339 993925174 /nfs/dbraw/zinc/92/51/74/993925174.db2.gz FIJFLCVMZANOTA-UHFFFAOYSA-N 0 2 421.475 3.697 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481091216 993929531 /nfs/dbraw/zinc/92/95/31/993929531.db2.gz KOXMKNSGWWDUJJ-UHFFFAOYSA-N 0 2 421.475 3.697 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnc(Cc2ccccc2F)s1 ZINC000482963094 995884732 /nfs/dbraw/zinc/88/47/32/995884732.db2.gz RAPXFACHYAHSPL-UHFFFAOYSA-N 0 2 424.417 3.819 20 5 HHBDLN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483433788 996176569 /nfs/dbraw/zinc/17/65/69/996176569.db2.gz BOJLBWLOUFQTKX-UHFFFAOYSA-N 0 2 409.427 3.721 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000483436551 996177842 /nfs/dbraw/zinc/17/78/42/996177842.db2.gz JAOYVMCQKDENPE-UHFFFAOYSA-N 0 2 407.411 3.862 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000483447125 996186285 /nfs/dbraw/zinc/18/62/85/996186285.db2.gz ZMTDXZPFJSNXOE-LLVKDONJSA-N 0 2 410.213 3.599 20 5 HHBDLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475812563 996386929 /nfs/dbraw/zinc/38/69/29/996386929.db2.gz GDDPQQRVUWBKBI-UHFFFAOYSA-N 0 2 418.830 3.603 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484112306 996577297 /nfs/dbraw/zinc/57/72/97/996577297.db2.gz SRJKXMXYMFAZEZ-UHFFFAOYSA-N 0 2 409.427 3.642 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000484132640 996588218 /nfs/dbraw/zinc/58/82/18/996588218.db2.gz LMYWOUZXDLWXPX-UHFFFAOYSA-N 0 2 410.448 3.545 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486107918 998555492 /nfs/dbraw/zinc/55/54/92/998555492.db2.gz JCTVBLFOWINQCN-UHFFFAOYSA-N 0 2 416.459 3.713 20 5 HHBDLN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000480239779 999753845 /nfs/dbraw/zinc/75/38/45/999753845.db2.gz IDAOFUKMQHTOPK-UHFFFAOYSA-N 0 2 414.443 3.903 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc1[N+](=O)[O-] ZINC000494510846 1000532512 /nfs/dbraw/zinc/53/25/12/1000532512.db2.gz PCQLLNHKELTTKE-UHFFFAOYSA-N 0 2 417.321 3.564 20 5 HHBDLN O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506322672 1001353924 /nfs/dbraw/zinc/35/39/24/1001353924.db2.gz BTBJLJSXVVHVRE-FQEVSTJZSA-N 0 2 423.494 3.891 20 5 HHBDLN O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506322672 1001353931 /nfs/dbraw/zinc/35/39/31/1001353931.db2.gz BTBJLJSXVVHVRE-FQEVSTJZSA-N 0 2 423.494 3.891 20 5 HHBDLN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000498301660 1001766784 /nfs/dbraw/zinc/76/67/84/1001766784.db2.gz QMPQXFMRPRSGJW-XFFZJAGNSA-N 0 2 403.316 3.973 20 5 HHBDLN O=C1CN(Cc2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N1 ZINC000498545177 1001962727 /nfs/dbraw/zinc/96/27/27/1001962727.db2.gz DAVVFKCJFSHFPJ-QHCPKHFHSA-N 0 2 419.437 3.510 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1[N+](=O)[O-] ZINC000508070168 1002592034 /nfs/dbraw/zinc/59/20/34/1002592034.db2.gz VDOJSKMDQRHRQC-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000534941835 1006981769 /nfs/dbraw/zinc/98/17/69/1006981769.db2.gz AMYXRSPFEWTYIH-SECBINFHSA-N 0 2 404.370 3.582 20 5 HHBDLN CCN(CC)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000516343709 1007030371 /nfs/dbraw/zinc/03/03/71/1007030371.db2.gz RZXVANBXPIAHTM-HNNXBMFYSA-N 0 2 417.940 3.671 20 5 HHBDLN O=C(c1cc(Cl)cc(Br)c1O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533875946 1008174550 /nfs/dbraw/zinc/17/45/50/1008174550.db2.gz MVPBNBTVIWOGFK-UHFFFAOYSA-N 0 2 411.639 3.915 20 5 HHBDLN O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000540481946 1008448968 /nfs/dbraw/zinc/44/89/68/1008448968.db2.gz SGOFNECUJSWFEA-HNNXBMFYSA-N 0 2 407.829 3.660 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000519202091 1008607362 /nfs/dbraw/zinc/60/73/62/1008607362.db2.gz YYAFTEWIZBICRS-UHFFFAOYSA-N 0 2 400.840 3.629 20 5 HHBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CCC(C)C ZINC000543164256 1008739724 /nfs/dbraw/zinc/73/97/24/1008739724.db2.gz KPUAXLHKAJGPDS-UHFFFAOYSA-N 0 2 406.460 3.771 20 5 HHBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)cc1[N+](=O)[O-] ZINC000519618452 1008932544 /nfs/dbraw/zinc/93/25/44/1008932544.db2.gz YVVSPEYRHSGXNR-UHFFFAOYSA-N 0 2 412.265 3.739 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000543656081 1009262007 /nfs/dbraw/zinc/26/20/07/1009262007.db2.gz JCQRPNNCVIZJBD-UHFFFAOYSA-N 0 2 403.851 3.553 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)s1 ZINC000544667664 1010286018 /nfs/dbraw/zinc/28/60/18/1010286018.db2.gz QFMATPVSCRGBFZ-NSHDSACASA-N 0 2 402.322 3.516 20 5 HHBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552030107 1012055152 /nfs/dbraw/zinc/05/51/52/1012055152.db2.gz KKHIROLXKZMTEZ-UHFFFAOYSA-N 0 2 422.426 3.770 20 5 HHBDLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488245733 1072173191 /nfs/dbraw/zinc/17/31/91/1072173191.db2.gz RZJUCNGDZIPSQW-UHFFFAOYSA-N 0 2 404.803 3.514 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000588949655 1073373506 /nfs/dbraw/zinc/37/35/06/1073373506.db2.gz LJKILPDCFMIKOZ-UHFFFAOYSA-N 0 2 415.271 3.828 20 5 HHBDLN CCOc1ccc(Br)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000575129002 1075470510 /nfs/dbraw/zinc/47/05/10/1075470510.db2.gz BIBWPUDOPFQJKO-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN O=[N+]([O-])c1ccc(NCc2nnc(COc3ccccc3)[nH]2)c(Br)c1 ZINC000302299969 971222806 /nfs/dbraw/zinc/22/28/06/971222806.db2.gz YJJYZOBGWMGPSD-UHFFFAOYSA-N 0 2 404.224 3.667 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000303635072 971915288 /nfs/dbraw/zinc/91/52/88/971915288.db2.gz RCUCYFVEKXYRLA-UHFFFAOYSA-N 0 2 412.349 3.600 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000537769453 1013331988 /nfs/dbraw/zinc/33/19/88/1013331988.db2.gz HPSMCKDOXLDFKL-IPELMVKDSA-N 0 2 409.442 3.712 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Br)cc3)sc2c1 ZINC000013891847 962402285 /nfs/dbraw/zinc/40/22/85/962402285.db2.gz ZBMSSOQYAMWNDL-UHFFFAOYSA-N 0 2 414.262 3.768 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c1 ZINC000542728887 1013640912 /nfs/dbraw/zinc/64/09/12/1013640912.db2.gz OHWZRONAISLLBL-HNNXBMFYSA-N 0 2 424.450 3.709 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000108386740 969378676 /nfs/dbraw/zinc/37/86/76/969378676.db2.gz IZQQPUQRYKSONT-UHFFFAOYSA-N 0 2 412.514 3.883 20 5 HHBDLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1[N+](=O)[O-] ZINC000323660162 972714385 /nfs/dbraw/zinc/71/43/85/972714385.db2.gz LXEXRLMVTRVBRD-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000409647680 973097726 /nfs/dbraw/zinc/09/77/26/973097726.db2.gz CWRDCMPFGUQASS-UHFFFAOYSA-N 0 2 422.413 3.535 20 5 HHBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410358031 973948594 /nfs/dbraw/zinc/94/85/94/973948594.db2.gz DBMPNFLXZHFXEY-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410358929 973949789 /nfs/dbraw/zinc/94/97/89/973949789.db2.gz JATFFHYPOSVPCB-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000410402095 974001112 /nfs/dbraw/zinc/00/11/12/974001112.db2.gz HSMPGJZMKOBYTG-UHFFFAOYSA-N 0 2 401.238 3.557 20 5 HHBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc2cccnc21 ZINC000427641914 975221480 /nfs/dbraw/zinc/22/14/80/975221480.db2.gz LQLLKTMTASSHLO-UHFFFAOYSA-N 0 2 410.411 3.501 20 5 HHBDLN CC(C)(C)c1nc(=NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])s[nH]1 ZINC000429415251 976692128 /nfs/dbraw/zinc/69/21/28/976692128.db2.gz DRUVPDWQGVKAGC-UHFFFAOYSA-N 0 2 412.471 3.997 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)ccc1[N+](=O)[O-] ZINC000431317675 978202677 /nfs/dbraw/zinc/20/26/77/978202677.db2.gz HGTOWZXTJOETPD-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1C ZINC000432052189 978661998 /nfs/dbraw/zinc/66/19/98/978661998.db2.gz JRAXLEUJBRAQHO-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1Cl ZINC000432771285 978969528 /nfs/dbraw/zinc/96/95/28/978969528.db2.gz VXJRQCSCMJUNRN-UHFFFAOYSA-N 0 2 422.850 3.756 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435139820 980671353 /nfs/dbraw/zinc/67/13/53/980671353.db2.gz XVSWAVBZJQKNQX-UHFFFAOYSA-N 0 2 417.468 3.950 20 5 HHBDLN O=C(Nc1cccc(C(=O)N2CCc3ccccc32)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436963432 981651236 /nfs/dbraw/zinc/65/12/36/981651236.db2.gz NVWNQNSACXCMSW-UHFFFAOYSA-N 0 2 403.394 3.756 20 5 HHBDLN O=C(NCc1ccccc1F)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436970295 981655233 /nfs/dbraw/zinc/65/52/33/981655233.db2.gz CTTYXUQMIJEYGP-UHFFFAOYSA-N 0 2 409.373 3.622 20 5 HHBDLN CC[C@](C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000462345271 985334934 /nfs/dbraw/zinc/33/49/34/985334934.db2.gz GIQMSWAHKQRIRS-ZDUSSCGKSA-N 0 2 410.304 3.962 20 5 HHBDLN Cc1c(Br)cc(S(=O)(=O)Nc2ncccc2C(C)C)cc1[N+](=O)[O-] ZINC000443414967 985571406 /nfs/dbraw/zinc/57/14/06/985571406.db2.gz DJQXPJXWYCTECX-UHFFFAOYSA-N 0 2 414.281 3.985 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 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Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000472428871 993429094 /nfs/dbraw/zinc/42/90/94/993429094.db2.gz HRMAHBTWZHQBLL-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000472441590 993443886 /nfs/dbraw/zinc/44/38/86/993443886.db2.gz ZNJDFWKFYQITGF-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)c([N+](=O)[O-])c1 ZINC000481112604 993949462 /nfs/dbraw/zinc/94/94/62/993949462.db2.gz RWFMOUVMXBTQHU-UHFFFAOYSA-N 0 2 421.475 3.697 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000481858358 994716753 /nfs/dbraw/zinc/71/67/53/994716753.db2.gz UAWPSNUIDOGMQB-UHFFFAOYSA-N 0 2 422.463 3.978 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000483432856 996176275 /nfs/dbraw/zinc/17/62/75/996176275.db2.gz KFEDBOCTZVFERY-NSHDSACASA-N 0 2 410.213 3.599 20 5 HHBDLN O=C(c1ccccc1)c1ccccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 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HHBDLN CCOc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])cc1OC ZINC000541515711 1012296053 /nfs/dbraw/zinc/29/60/53/1012296053.db2.gz WJECXCBQKCSLLO-UHFFFAOYSA-N 0 2 417.809 3.693 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OCC(F)(F)F)c1 ZINC000523727008 1012340814 /nfs/dbraw/zinc/34/08/14/1012340814.db2.gz ZIFQTCBZZHOEKA-UHFFFAOYSA-N 0 2 404.366 3.954 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)s[nH]2)c1 ZINC000541762056 1012624887 /nfs/dbraw/zinc/62/48/87/1012624887.db2.gz NVKNJRTWSFCFTB-LBPRGKRZSA-N 0 2 413.459 3.735 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 ZINC000541786094 1012657156 /nfs/dbraw/zinc/65/71/56/1012657156.db2.gz XPRCZXNXTDBCBQ-GFCCVEGCSA-N 0 2 424.548 3.701 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000729666496 1071779383 /nfs/dbraw/zinc/77/93/83/1071779383.db2.gz STAIMRBHHLKITB-UHFFFAOYSA-N 0 2 423.447 3.751 20 5 HHBDLN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000760270054 1071812654 /nfs/dbraw/zinc/81/26/54/1071812654.db2.gz UQLRCDJZQYKNPW-UHFFFAOYSA-N 0 2 406.807 3.631 20 5 HHBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000588855781 1073309296 /nfs/dbraw/zinc/30/92/96/1073309296.db2.gz JNNVOKDMASESTM-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 ZINC000602094427 1075698884 /nfs/dbraw/zinc/69/88/84/1075698884.db2.gz XHHLUNIMPZRQIY-UHFFFAOYSA-N 0 2 411.411 3.721 20 5 HHBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717883 1013568813 /nfs/dbraw/zinc/56/88/13/1013568813.db2.gz SOOBNLSKARZHAS-PIGZYNQJSA-N 0 2 410.348 3.921 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000030530327 965718856 /nfs/dbraw/zinc/71/88/56/965718856.db2.gz JNXPVOYDCOWXGW-UHFFFAOYSA-N 0 2 408.329 3.784 20 5 HHBDLN Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000055585780 965939591 /nfs/dbraw/zinc/93/95/91/965939591.db2.gz XTRKEJXDMDSWLJ-UHFFFAOYSA-N 0 2 404.835 3.814 20 5 HHBDLN O=C(NCc1ccccc1)c1nnc(/C(Cl)=C\c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000230029130 970134075 /nfs/dbraw/zinc/13/40/75/970134075.db2.gz IMBLUDPRLJHOJS-MDWZMJQESA-N 0 2 416.846 3.819 20 5 HHBDLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000409542131 972998728 /nfs/dbraw/zinc/99/87/28/972998728.db2.gz CXULSPBQWAWJCD-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2C1 ZINC000409670036 973130455 /nfs/dbraw/zinc/13/04/55/973130455.db2.gz WQCGWHJNBRUXMP-LLVKDONJSA-N 0 2 411.505 3.766 20 5 HHBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000427468913 975135468 /nfs/dbraw/zinc/13/54/68/975135468.db2.gz HZFJFVRSBIYJIL-UHFFFAOYSA-N 0 2 421.335 3.520 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1[N+](=O)[O-] ZINC000431319853 978205336 /nfs/dbraw/zinc/20/53/36/978205336.db2.gz VPBJIYDOGVWLFV-UHFFFAOYSA-N 0 2 410.864 3.876 20 5 HHBDLN CCOC(C)(C)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC ZINC000436463518 981387760 /nfs/dbraw/zinc/38/77/60/981387760.db2.gz JKWZLCRTPICXLX-UHFFFAOYSA-N 0 2 423.491 3.631 20 5 HHBDLN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436870982 981597914 /nfs/dbraw/zinc/59/79/14/981597914.db2.gz ROJQKWLYJRZUAF-KBPBESRZSA-N 0 2 411.458 3.979 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000437203087 981860147 /nfs/dbraw/zinc/86/01/47/981860147.db2.gz RAYAWUDQVVRXHG-UHFFFAOYSA-N 0 2 422.463 3.539 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000437402931 982047155 /nfs/dbraw/zinc/04/71/55/982047155.db2.gz DXYZQPFEVYKJRQ-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438711196 983019579 /nfs/dbraw/zinc/01/95/79/983019579.db2.gz FQRLLYLCTGXQII-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440271758 983703418 /nfs/dbraw/zinc/70/34/18/983703418.db2.gz ALQYKIUGYVDFGN-UHFFFAOYSA-N 0 2 421.862 3.606 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000468379919 986079803 /nfs/dbraw/zinc/07/98/03/986079803.db2.gz ROJAKMBLTQJWOI-LBPRGKRZSA-N 0 2 414.867 3.771 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444249297 986443133 /nfs/dbraw/zinc/44/31/33/986443133.db2.gz POZRQHLGPNQURO-UHFFFAOYSA-N 0 2 411.320 3.826 20 5 HHBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444276073 986467047 /nfs/dbraw/zinc/46/70/47/986467047.db2.gz GDYQTGKCHVTBIZ-ZETCQYMHSA-N 0 2 409.258 3.597 20 5 HHBDLN CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc21 ZINC000463525222 986502063 /nfs/dbraw/zinc/50/20/63/986502063.db2.gz LNAZKRWNQFTEDF-UHFFFAOYSA-N 0 2 411.443 3.874 20 5 HHBDLN O=C(NCc1ccc(CN2CCc3ccccc32)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469523632 987199313 /nfs/dbraw/zinc/19/93/13/987199313.db2.gz MCLNNQBUBNVEMK-UHFFFAOYSA-N 0 2 403.438 3.793 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445184448 987265054 /nfs/dbraw/zinc/26/50/54/987265054.db2.gz DWWDLSFFCAPUBZ-UHFFFAOYSA-N 0 2 417.291 3.673 20 5 HHBDLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464415988 988587270 /nfs/dbraw/zinc/58/72/70/988587270.db2.gz DGUBNXHVPPNMOS-ZDUSSCGKSA-N 0 2 403.464 3.747 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000464828551 989067144 /nfs/dbraw/zinc/06/71/44/989067144.db2.gz CHHIISSFFXFZMG-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN Cc1sc(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)cc1[N+](=O)[O-] ZINC000466973395 992285296 /nfs/dbraw/zinc/28/52/96/992285296.db2.gz DPXFZOVJJDCREF-UHFFFAOYSA-N 0 2 413.546 3.627 20 5 HHBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cc(F)ccc2C)s1 ZINC000481849116 994704915 /nfs/dbraw/zinc/70/49/15/994704915.db2.gz QHVZHFXTUJUSRA-UHFFFAOYSA-N 0 2 422.463 3.924 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1 ZINC000481864520 994725064 /nfs/dbraw/zinc/72/50/64/994725064.db2.gz ZPGHYHUIGHZVKQ-UHFFFAOYSA-N 0 2 414.827 3.707 20 5 HHBDLN COc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(OC)cc1Cl ZINC000481982221 994879185 /nfs/dbraw/zinc/87/91/85/994879185.db2.gz PLGLJBBHSBCRAP-UHFFFAOYSA-N 0 2 400.840 3.683 20 5 HHBDLN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000475827426 996396722 /nfs/dbraw/zinc/39/67/22/996396722.db2.gz CYRZCMZJKBKQAE-UHFFFAOYSA-N 0 2 412.786 3.547 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1[N+](=O)[O-] ZINC000480178059 999737419 /nfs/dbraw/zinc/73/74/19/999737419.db2.gz HLJZOLPTEZBNBB-ROUUACIJSA-N 0 2 420.487 3.695 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1Cl ZINC000480253813 999757054 /nfs/dbraw/zinc/75/70/54/999757054.db2.gz WWMGNSNTVKBVME-UHFFFAOYSA-N 0 2 406.851 3.797 20 5 HHBDLN O=C(COc1c(Cl)cccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490375137 999947208 /nfs/dbraw/zinc/94/72/08/999947208.db2.gz ZZWXKYXHRGMZJL-UHFFFAOYSA-N 0 2 408.201 3.704 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Br)ccc1F ZINC000490404201 999952256 /nfs/dbraw/zinc/95/22/56/999952256.db2.gz ZZLOTZGLMCUXNX-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000492975983 1000152253 /nfs/dbraw/zinc/15/22/53/1000152253.db2.gz JDHSXXWRKVSJKP-UHFFFAOYSA-N 0 2 409.489 3.624 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1[N+](=O)[O-] ZINC000492979193 1000152585 /nfs/dbraw/zinc/15/25/85/1000152585.db2.gz ZCZIWISHQVDQMH-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1[N+](=O)[O-] ZINC000493102876 1000157362 /nfs/dbraw/zinc/15/73/62/1000157362.db2.gz DFRCXVXIKAGJIV-UHFFFAOYSA-N 0 2 424.891 3.606 20 5 HHBDLN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000493975783 1000247608 /nfs/dbraw/zinc/24/76/08/1000247608.db2.gz DPYMNBZCGYWEMR-UHFFFAOYSA-N 0 2 421.182 3.844 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000498043838 1001619817 /nfs/dbraw/zinc/61/98/17/1001619817.db2.gz IKJJTJKWQVRMAF-ZDUSSCGKSA-N 0 2 405.248 3.768 20 5 HHBDLN O=[N+]([O-])c1ccccc1/C=C\CNc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000512610121 1004423663 /nfs/dbraw/zinc/42/36/63/1004423663.db2.gz WFPRVVJUQSMUFV-XQRVVYSFSA-N 0 2 416.484 3.977 20 5 HHBDLN O=C(Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)Nc1ccccc1F ZINC000510845185 1004887913 /nfs/dbraw/zinc/88/79/13/1004887913.db2.gz LOMRKZKYTZSBDS-UHFFFAOYSA-N 0 2 409.373 3.873 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000514350507 1005339611 /nfs/dbraw/zinc/33/96/11/1005339611.db2.gz KFAVDYCSCICIPX-UHFFFAOYSA-N 0 2 410.757 3.990 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000534068004 1006039321 /nfs/dbraw/zinc/03/93/21/1006039321.db2.gz NGUOLPSNQKVDBM-OAHLLOKOSA-N 0 2 424.240 3.851 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)cc1[N+](=O)[O-] ZINC000514708954 1006090548 /nfs/dbraw/zinc/09/05/48/1006090548.db2.gz HGIFXAQZKNSXRF-UHFFFAOYSA-N 0 2 410.411 3.907 20 5 HHBDLN O=C(NCCc1c[nH]c2cccc(Br)c12)c1cc(O)ccc1[N+](=O)[O-] ZINC000515260830 1006368218 /nfs/dbraw/zinc/36/82/18/1006368218.db2.gz XWQIEOQZFFLNLS-UHFFFAOYSA-N 0 2 404.220 3.517 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000538454522 1006723376 /nfs/dbraw/zinc/72/33/76/1006723376.db2.gz DAFFXXLAMJOOEU-UHFFFAOYSA-N 0 2 413.333 3.842 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)cc1[N+](=O)[O-] ZINC000532611835 1007039033 /nfs/dbraw/zinc/03/90/33/1007039033.db2.gz QPMUGTAZFOPOMV-UHFFFAOYSA-N 0 2 416.459 3.515 20 5 HHBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000538754004 1007039896 /nfs/dbraw/zinc/03/98/96/1007039896.db2.gz SRMIJQSARPDCJS-UHFFFAOYSA-N 0 2 408.329 3.700 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000538870618 1007149849 /nfs/dbraw/zinc/14/98/49/1007149849.db2.gz PNKXDDXPCDYPOK-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN COc1ccc2oc([C@@H](C)NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])c(C)c2c1 ZINC000517373070 1007606749 /nfs/dbraw/zinc/60/67/49/1007606749.db2.gz KXIMUPVQKVACCT-LLVKDONJSA-N 0 2 408.407 3.837 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccncc32)c(Br)c1 ZINC000533464362 1007775034 /nfs/dbraw/zinc/77/50/34/1007775034.db2.gz PKAALONBGPCBDM-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN COc1ccc(Br)cc1C(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970459 1008214163 /nfs/dbraw/zinc/21/41/63/1008214163.db2.gz CVHWDAHUQAZKBV-UHFFFAOYSA-N 0 2 423.219 3.673 20 5 HHBDLN COc1ccccc1[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000518667049 1008385121 /nfs/dbraw/zinc/38/51/21/1008385121.db2.gz PGBPRFVYSVPCPN-LJQANCHMSA-N 0 2 416.430 3.810 20 5 HHBDLN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000545445184 1008558136 /nfs/dbraw/zinc/55/81/36/1008558136.db2.gz QFAMWVAJOBXZOW-UHFFFAOYSA-N 0 2 408.201 3.749 20 5 HHBDLN Cc1cc(Br)cn2c(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])c[nH+]c12 ZINC000543118507 1008690965 /nfs/dbraw/zinc/69/09/65/1008690965.db2.gz WIOBSVSIPNXJRE-IHWYPQMZSA-N 0 2 403.192 3.577 20 5 HHBDLN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])oc21 ZINC000519890413 1009056309 /nfs/dbraw/zinc/05/63/09/1009056309.db2.gz YNTSLJYSUDKNPT-LLVKDONJSA-N 0 2 408.407 3.918 20 5 HHBDLN COc1cc2nc(C)sc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000549756500 1009375027 /nfs/dbraw/zinc/37/50/27/1009375027.db2.gz RGVOHWJXDGCCEC-UHFFFAOYSA-N 0 2 407.473 3.939 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000543950909 1009549295 /nfs/dbraw/zinc/54/92/95/1009549295.db2.gz IAXWGMIJEQHESC-UHFFFAOYSA-N 0 2 416.459 3.542 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1Cc1cccc(F)c1 ZINC000550857668 1010220341 /nfs/dbraw/zinc/22/03/41/1010220341.db2.gz DJFLTBVXBYTSFW-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)s1 ZINC000544668385 1010286344 /nfs/dbraw/zinc/28/63/44/1010286344.db2.gz NSHNBDOTHYMMAO-NSHDSACASA-N 0 2 400.787 3.892 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000551473642 1010608411 /nfs/dbraw/zinc/60/84/11/1010608411.db2.gz OQDASKXGUBBFPM-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000536189960 1011328350 /nfs/dbraw/zinc/32/83/50/1011328350.db2.gz BYGUMWBAXADGTK-NSHDSACASA-N 0 2 410.213 3.599 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc(F)c(Br)c2)c([N+](=O)[O-])c1 ZINC000540698705 1011351763 /nfs/dbraw/zinc/35/17/63/1011351763.db2.gz XZFMDPFGLNPCJQ-UHFFFAOYSA-N 0 2 419.228 3.696 20 5 HHBDLN CCN1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552140567 1012160684 /nfs/dbraw/zinc/16/06/84/1012160684.db2.gz MYMSJDMEVRJFOS-WMZOPIPTSA-N 0 2 407.829 3.658 20 5 HHBDLN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552177393 1012191474 /nfs/dbraw/zinc/19/14/74/1012191474.db2.gz LUDZODRDKXFWSS-CQSZACIVSA-N 0 2 424.240 3.533 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(Nc2cccc(Br)c2)CC1 ZINC000552218696 1012232171 /nfs/dbraw/zinc/23/21/71/1012232171.db2.gz ZBRIUXVWRCSPLA-UHFFFAOYSA-N 0 2 420.263 3.780 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000537393371 1012875082 /nfs/dbraw/zinc/87/50/82/1012875082.db2.gz CGCSACOHWXMBBJ-UHFFFAOYSA-N 0 2 420.365 3.735 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000542094832 1013024958 /nfs/dbraw/zinc/02/49/58/1013024958.db2.gz VOMPPYZLBGOVEE-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C ZINC000568673706 1071780329 /nfs/dbraw/zinc/78/03/29/1071780329.db2.gz VVGWSBLVKIBUNZ-UHFFFAOYSA-N 0 2 422.850 3.552 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc[nH]1 ZINC000760275453 1071818420 /nfs/dbraw/zinc/81/84/20/1071818420.db2.gz YZGWBKQBAHBAQI-CYBMUJFWSA-N 0 2 416.459 3.905 20 5 HHBDLN Cc1nccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)c2)n1 ZINC000760339542 1072263153 /nfs/dbraw/zinc/26/31/53/1072263153.db2.gz UFIWTFZCGZPTBY-UHFFFAOYSA-N 0 2 402.407 3.609 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccoc3)c2)c1F ZINC000760343823 1072266099 /nfs/dbraw/zinc/26/60/99/1072266099.db2.gz YGSZAJFCBAJGAB-UHFFFAOYSA-N 0 2 419.390 3.688 20 5 HHBDLN Cn1ccc2c1cccc2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000575206804 1075484807 /nfs/dbraw/zinc/48/48/07/1075484807.db2.gz AAVKDTIARRTOQG-UHFFFAOYSA-N 0 2 410.249 3.650 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000302917098 971393763 /nfs/dbraw/zinc/39/37/63/971393763.db2.gz OYTKOYIZMRXLOJ-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537768970 1013330645 /nfs/dbraw/zinc/33/06/45/1013330645.db2.gz QCAVFVRTOMHKTD-GFCCVEGCSA-N 0 2 424.500 3.603 20 5 HHBDLN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537768973 1013331913 /nfs/dbraw/zinc/33/19/13/1013331913.db2.gz QCAVFVRTOMHKTD-LBPRGKRZSA-N 0 2 424.500 3.603 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000057119725 965289543 /nfs/dbraw/zinc/28/95/43/965289543.db2.gz AGUMTOMWYKTLOT-UHFFFAOYSA-N 0 2 403.416 3.676 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1 ZINC000057120412 965292070 /nfs/dbraw/zinc/29/20/70/965292070.db2.gz VLSFEMPEUDBHBO-UHFFFAOYSA-N 0 2 403.416 3.676 20 5 HHBDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1Cl ZINC000538002318 1013576224 /nfs/dbraw/zinc/57/62/24/1013576224.db2.gz LGRFXKRWIHNTJZ-UHFFFAOYSA-N 0 2 415.830 3.763 20 5 HHBDLN CCOCCOCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055633157 965979215 /nfs/dbraw/zinc/97/92/15/965979215.db2.gz LRWXBPMJPGGJAL-UHFFFAOYSA-N 0 2 414.867 3.602 20 5 HHBDLN COc1ccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1[N+](=O)[O-] ZINC000542726704 1013638557 /nfs/dbraw/zinc/63/85/57/1013638557.db2.gz CMUGXYBQSOEXIZ-UHFFFAOYSA-N 0 2 419.850 3.519 20 5 HHBDLN CCOc1ccc(-c2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2C)cc1 ZINC000041017546 966519299 /nfs/dbraw/zinc/51/92/99/966519299.db2.gz BAABUSYDQSAAPM-UHFFFAOYSA-N 0 2 419.484 4.226 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063879251 966985240 /nfs/dbraw/zinc/98/52/40/966985240.db2.gz HNYWVVJWQYKIEM-UHFFFAOYSA-N 0 2 405.457 3.891 20 5 HHBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3[nH]c([C@H]4CCCO4)nc3c2)cc1[N+](=O)[O-] ZINC000112689018 969825022 /nfs/dbraw/zinc/82/50/22/969825022.db2.gz AEJDEBHAGAWEIO-MRXNPFEDSA-N 0 2 420.422 3.571 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000323834618 972715546 /nfs/dbraw/zinc/71/55/46/972715546.db2.gz MKRVVHOAHOROMF-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c([N+](=O)[O-])c1 ZINC000409537203 972992898 /nfs/dbraw/zinc/99/28/98/972992898.db2.gz TUQTUZNPMFTYMK-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000409577979 973027298 /nfs/dbraw/zinc/02/72/98/973027298.db2.gz SAOIGBBRCXTJRR-UHFFFAOYSA-N 0 2 410.496 3.653 20 5 HHBDLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)sc2C1 ZINC000409669093 973129590 /nfs/dbraw/zinc/12/95/90/973129590.db2.gz SZJOLNHNPFPOQJ-LLVKDONJSA-N 0 2 411.505 3.766 20 5 HHBDLN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000427913339 975346586 /nfs/dbraw/zinc/34/65/86/975346586.db2.gz DQSCTNMMPDNGFO-UHFFFAOYSA-N 0 2 424.804 3.599 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)c(C)c1 ZINC000431330410 978216173 /nfs/dbraw/zinc/21/61/73/978216173.db2.gz WEPYYEKHKONEBO-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)c(Cl)c1 ZINC000432493477 978847105 /nfs/dbraw/zinc/84/71/05/978847105.db2.gz BPOVKTANUVEPMT-UHFFFAOYSA-N 0 2 420.834 3.976 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432643662 978923140 /nfs/dbraw/zinc/92/31/40/978923140.db2.gz KAWBUFOHBGRLFL-UHFFFAOYSA-N 0 2 405.233 3.550 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000432680119 978934549 /nfs/dbraw/zinc/93/45/49/978934549.db2.gz XUOVNAPFCXXUGY-UHFFFAOYSA-N 0 2 411.262 3.612 20 5 HHBDLN O=C(C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000436621015 981478456 /nfs/dbraw/zinc/47/84/56/981478456.db2.gz ALDSHIOYOIILQO-SFHVURJKSA-N 0 2 421.409 3.506 20 5 HHBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710644 981524815 /nfs/dbraw/zinc/52/48/15/981524815.db2.gz WZQLVWNQLPFDBL-PIGZYNQJSA-N 0 2 410.348 3.921 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000436872404 981598114 /nfs/dbraw/zinc/59/81/14/981598114.db2.gz WHNFNEKBICSQJW-MRXNPFEDSA-N 0 2 415.204 3.960 20 5 HHBDLN CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436990395 981671549 /nfs/dbraw/zinc/67/15/49/981671549.db2.gz RKGBBMGCZKKRQC-UHFFFAOYSA-N 0 2 424.457 3.628 20 5 HHBDLN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436998830 981676719 /nfs/dbraw/zinc/67/67/19/981676719.db2.gz QGAYDWQNYQDIHI-INIZCTEOSA-N 0 2 416.434 3.514 20 5 HHBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438622240 982944189 /nfs/dbraw/zinc/94/41/89/982944189.db2.gz AXJZIAUZPFBYID-CQSZACIVSA-N 0 2 407.220 3.659 20 5 HHBDLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000438793896 983074858 /nfs/dbraw/zinc/07/48/58/983074858.db2.gz TVLMPLJMRGRTAF-UHFFFAOYSA-N 0 2 415.265 3.784 20 5 HHBDLN CSc1ccc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nc1 ZINC000438815469 983089671 /nfs/dbraw/zinc/08/96/71/983089671.db2.gz RYDQQUMRGLWZOZ-UHFFFAOYSA-N 0 2 418.294 3.583 20 5 HHBDLN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000440307014 983713707 /nfs/dbraw/zinc/71/37/07/983713707.db2.gz XBCURVRZKWBGFT-UHFFFAOYSA-N 0 2 420.830 3.989 20 5 HHBDLN Cc1ccc2c(c1C)OC[C@H]2NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462285462 985273696 /nfs/dbraw/zinc/27/36/96/985273696.db2.gz IOUWMIQZIORHDN-CYBMUJFWSA-N 0 2 417.270 3.930 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000468368328 986067499 /nfs/dbraw/zinc/06/74/99/986067499.db2.gz SVCNOPAPAQUCJW-UHFFFAOYSA-N 0 2 418.349 3.509 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000468543435 986248324 /nfs/dbraw/zinc/24/83/24/986248324.db2.gz RPVPRDHOXQXEMR-UHFFFAOYSA-N 0 2 420.443 3.504 20 5 HHBDLN CC(C)c1nn(-c2ccccc2)cc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470601007 988618480 /nfs/dbraw/zinc/61/84/80/988618480.db2.gz NTRRSELJCHSHPW-UHFFFAOYSA-N 0 2 418.450 3.522 20 5 HHBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000481846015 994701840 /nfs/dbraw/zinc/70/18/40/994701840.db2.gz IXPHYKLUHXELGX-UHFFFAOYSA-N 0 2 408.436 3.670 20 5 HHBDLN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483433970 996176585 /nfs/dbraw/zinc/17/65/85/996176585.db2.gz NGQHTFOAFXBMQS-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nc(C3CC3)no2)c1 ZINC000476387941 996835092 /nfs/dbraw/zinc/83/50/92/996835092.db2.gz JFMIVWDSMFACBC-UHFFFAOYSA-N 0 2 400.416 3.631 20 5 HHBDLN COC(=O)c1c(F)ccc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])c1F ZINC000485147673 997531101 /nfs/dbraw/zinc/53/11/01/997531101.db2.gz OHRGIEJXAMIJDB-UHFFFAOYSA-N 0 2 421.175 3.736 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)cc1[N+](=O)[O-] ZINC000486554987 998823099 /nfs/dbraw/zinc/82/30/99/998823099.db2.gz GTROGGRXIJLKNS-UHFFFAOYSA-N 0 2 412.880 3.819 20 5 HHBDLN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000487541825 999210760 /nfs/dbraw/zinc/21/07/60/999210760.db2.gz MLLHSTGXEFYYGE-UHFFFAOYSA-N 0 2 409.221 3.767 20 5 HHBDLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])sc2c1 ZINC000479995907 999679418 /nfs/dbraw/zinc/67/94/18/999679418.db2.gz SQOFIOBXQXKKLD-UHFFFAOYSA-N 0 2 420.472 3.581 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c1[N+](=O)[O-] ZINC000480178060 999737521 /nfs/dbraw/zinc/73/75/21/999737521.db2.gz HLJZOLPTEZBNBB-ZWKOTPCHSA-N 0 2 420.487 3.695 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000480199739 999743093 /nfs/dbraw/zinc/74/30/93/999743093.db2.gz QNMPXHJEKSIOSQ-UHFFFAOYSA-N 0 2 404.366 3.954 20 5 HHBDLN COCCOc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1Cl ZINC000480248812 999756008 /nfs/dbraw/zinc/75/60/08/999756008.db2.gz OMYFRCALQGUUIF-UHFFFAOYSA-N 0 2 414.867 3.691 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1csc(Cc2ccccc2)n1 ZINC000490359294 999944189 /nfs/dbraw/zinc/94/41/89/999944189.db2.gz BANPOXXDLDSWDV-UHFFFAOYSA-N 0 2 406.427 3.680 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1[N+](=O)[O-] ZINC000493108441 1000158280 /nfs/dbraw/zinc/15/82/80/1000158280.db2.gz VXFGWIVENQLWCO-LBPRGKRZSA-N 0 2 424.548 3.701 20 5 HHBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506686767 1001493914 /nfs/dbraw/zinc/49/39/14/1001493914.db2.gz IEXHSARXYRMMFW-UHFFFAOYSA-N 0 2 406.794 3.834 20 5 HHBDLN Cc1cnn(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000507916691 1002451084 /nfs/dbraw/zinc/45/10/84/1002451084.db2.gz CRHMJGPNECMDMW-UHFFFAOYSA-N 0 2 410.502 3.650 20 5 HHBDLN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000512915918 1004686626 /nfs/dbraw/zinc/68/66/26/1004686626.db2.gz DDXIXEUAJGTYJH-UHFFFAOYSA-N 0 2 421.812 3.584 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000534162845 1006145285 /nfs/dbraw/zinc/14/52/85/1006145285.db2.gz KBGBDKLPWRFCSR-UHFFFAOYSA-N 0 2 422.459 3.668 20 5 HHBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Br)cc3)ccc2c1 ZINC000538454519 1006723520 /nfs/dbraw/zinc/72/35/20/1006723520.db2.gz CVIMTEHEYCDTDQ-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000546086669 1009111283 /nfs/dbraw/zinc/11/12/83/1009111283.db2.gz QIENCSJUOLJAEW-UHFFFAOYSA-N 0 2 422.850 3.589 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c(C(F)(F)F)c1 ZINC000544078402 1009684088 /nfs/dbraw/zinc/68/40/88/1009684088.db2.gz GHLMUBKEHOQSJU-UHFFFAOYSA-N 0 2 419.385 3.511 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000544408021 1010027168 /nfs/dbraw/zinc/02/71/68/1010027168.db2.gz AEYGMECHYIGVPH-AWEZNQCLSA-N 0 2 424.240 3.851 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCc1cccc([N+](=O)[O-])c1 ZINC000544637608 1010262189 /nfs/dbraw/zinc/26/21/89/1010262189.db2.gz XZRMPSFNAUYJIY-UHFFFAOYSA-N 0 2 403.851 3.553 20 5 HHBDLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000544640807 1010265644 /nfs/dbraw/zinc/26/56/44/1010265644.db2.gz IIXOJRXAJZIXAA-UHFFFAOYSA-N 0 2 402.375 3.622 20 5 HHBDLN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)n2)cc1 ZINC000521696476 1010557436 /nfs/dbraw/zinc/55/74/36/1010557436.db2.gz KZRFMCWFVKSUEZ-UHFFFAOYSA-N 0 2 405.418 3.806 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000536194647 1011336820 /nfs/dbraw/zinc/33/68/20/1011336820.db2.gz WNZDMGOADVXQPW-UHFFFAOYSA-N 0 2 409.851 3.506 20 5 HHBDLN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)cc2[N+](=O)[O-])C1 ZINC000552602709 1012602712 /nfs/dbraw/zinc/60/27/12/1012602712.db2.gz OAYFXQOLOVMVCH-CYBMUJFWSA-N 0 2 422.445 3.574 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccnc(Oc2ccccc2)c1 ZINC000524192597 1012997605 /nfs/dbraw/zinc/99/76/05/1012997605.db2.gz ZGTUSFNKRRVTGM-UHFFFAOYSA-N 0 2 402.370 3.820 20 5 HHBDLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000729662003 1071765670 /nfs/dbraw/zinc/76/56/70/1071765670.db2.gz FXZMUONBBZEIJH-UHFFFAOYSA-N 0 2 422.221 3.800 20 5 HHBDLN C/C=C\COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000905829618 1071983461 /nfs/dbraw/zinc/98/34/61/1071983461.db2.gz FGAUGPHMGPEEAN-IHWYPQMZSA-N 0 2 410.835 3.782 20 5 HHBDLN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000783822046 1072238837 /nfs/dbraw/zinc/23/88/37/1072238837.db2.gz SBFKEEVLSIJKSH-UHFFFAOYSA-N 0 2 418.258 3.969 20 5 HHBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000586756116 1072418150 /nfs/dbraw/zinc/41/81/50/1072418150.db2.gz XGQSWTYAZHCRQL-UHFFFAOYSA-N 0 2 413.864 3.976 20 5 HHBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000590556696 1073892181 /nfs/dbraw/zinc/89/21/81/1073892181.db2.gz NGCWEGDYPYEQMC-UHFFFAOYSA-N 0 2 404.386 3.579 20 5 HHBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1Br ZINC000760816852 1074210216 /nfs/dbraw/zinc/21/02/16/1074210216.db2.gz XGWXVJUTJGUTLK-UHFFFAOYSA-N 0 2 406.171 3.534 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000591568955 1074414948 /nfs/dbraw/zinc/41/49/48/1074414948.db2.gz MMCXQOFDMULVSI-UHFFFAOYSA-N 0 2 414.439 3.983 20 5 HHBDLN CCCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000057722114 965531042 /nfs/dbraw/zinc/53/10/42/965531042.db2.gz CYSYAUARRUWQNR-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055632310 965976401 /nfs/dbraw/zinc/97/64/01/965976401.db2.gz NUBCFZULZXZULU-UHFFFAOYSA-N 0 2 411.867 3.577 20 5 HHBDLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000063635825 966912749 /nfs/dbraw/zinc/91/27/49/966912749.db2.gz RPJNGRPQJXSVLX-UHFFFAOYSA-N 0 2 422.459 3.586 20 5 HHBDLN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000216596614 970079585 /nfs/dbraw/zinc/07/95/85/970079585.db2.gz WFRYOQDSQAOYBW-UHFFFAOYSA-N 0 2 405.819 3.537 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1 ZINC000218954724 970087785 /nfs/dbraw/zinc/08/77/85/970087785.db2.gz 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COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000427699600 975243487 /nfs/dbraw/zinc/24/34/87/975243487.db2.gz VSXKKDONFPUTSL-UHFFFAOYSA-N 0 2 401.600 3.977 20 5 HHBDLN COc1cc(Cl)c(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000430286736 977448484 /nfs/dbraw/zinc/44/84/84/977448484.db2.gz ZKGXUOHAGCZWOH-UHFFFAOYSA-N 0 2 401.600 3.977 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000430365564 977504294 /nfs/dbraw/zinc/50/42/94/977504294.db2.gz FPJNTLHZMZKJHN-UHFFFAOYSA-N 0 2 412.471 3.904 20 5 HHBDLN C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436851135 981590628 /nfs/dbraw/zinc/59/06/28/981590628.db2.gz CNBZQEIQQVXHTP-DIFFPNOSSA-N 0 2 410.348 3.921 20 5 HHBDLN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436867588 981597057 /nfs/dbraw/zinc/59/70/57/981597057.db2.gz DAFYBGIKEDMCHU-UHFFFAOYSA-N 0 2 424.375 3.797 20 5 HHBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000437172038 981826063 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HHBDLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000463165326 986136959 /nfs/dbraw/zinc/13/69/59/986136959.db2.gz WAJFFAIMEHSZRQ-UHFFFAOYSA-N 0 2 422.184 3.668 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CN2CCSCC2)c1C ZINC000444037409 986235219 /nfs/dbraw/zinc/23/52/19/986235219.db2.gz ZQKSLMLTTPBEDF-UHFFFAOYSA-N 0 2 421.544 3.561 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000468535112 986241104 /nfs/dbraw/zinc/24/11/04/986241104.db2.gz GIJFFDVAMBYMSV-UHFFFAOYSA-N 0 2 424.434 3.753 20 5 HHBDLN COc1cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)ccc1[N+](=O)[O-] ZINC000468751122 986464792 /nfs/dbraw/zinc/46/47/92/986464792.db2.gz ACFLGEGLHHDGKN-UHFFFAOYSA-N 0 2 401.400 3.592 20 5 HHBDLN CSc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1F ZINC000463791675 986783315 /nfs/dbraw/zinc/78/33/15/986783315.db2.gz ZFGXZJAJAROJEU-UHFFFAOYSA-N 0 2 411.411 3.944 20 5 HHBDLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463793580 986785284 /nfs/dbraw/zinc/78/52/84/986785284.db2.gz LJYVSYCVQSWZFB-UHFFFAOYSA-N 0 2 423.454 3.746 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1[N+](=O)[O-] ZINC000469109828 986826713 /nfs/dbraw/zinc/82/67/13/986826713.db2.gz YIHANZVYGQCPRT-UHFFFAOYSA-N 0 2 416.440 3.969 20 5 HHBDLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2C1 ZINC000464403425 988570581 /nfs/dbraw/zinc/57/05/81/988570581.db2.gz BXESGJJGVHFRNN-LLVKDONJSA-N 0 2 418.500 3.915 20 5 HHBDLN CCOCCOCc1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1C ZINC000467078072 992384277 /nfs/dbraw/zinc/38/42/77/992384277.db2.gz FNLOVKSWYFAPIM-UHFFFAOYSA-N 0 2 422.503 3.874 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OC3CCOCC3)c(C)c2)c1C ZINC000481599620 994448961 /nfs/dbraw/zinc/44/89/61/994448961.db2.gz PQOFRUPEOLKRKI-UHFFFAOYSA-N 0 2 420.487 3.879 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)c1C ZINC000481607003 994459036 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HHBDLN COc1ccccc1[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000427790810 975290454 /nfs/dbraw/zinc/29/04/54/975290454.db2.gz BFVVXUMKPQPAOW-QGZVFWFLSA-N 0 2 422.846 3.918 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Br)c(F)cc1F ZINC000430547836 977625454 /nfs/dbraw/zinc/62/54/54/977625454.db2.gz AQCQOZZVOIYAIJ-UHFFFAOYSA-N 0 2 424.161 3.673 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000431321724 978206692 /nfs/dbraw/zinc/20/66/92/978206692.db2.gz FOXXROOJNNIEMT-UHFFFAOYSA-N 0 2 420.472 3.540 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000431323094 978207711 /nfs/dbraw/zinc/20/77/11/978207711.db2.gz ZGIFVXCFFFSBNJ-UHFFFAOYSA-N 0 2 424.438 3.743 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC000432075614 978670126 /nfs/dbraw/zinc/67/01/26/978670126.db2.gz AZEOWYSHAITDBX-UHFFFAOYSA-N 0 2 404.423 3.673 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1 ZINC000432539085 978873537 /nfs/dbraw/zinc/87/35/37/978873537.db2.gz TZWGZRLCPRDBPU-MRXNPFEDSA-N 0 2 416.484 3.715 20 5 HHBDLN Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000433126631 979087429 /nfs/dbraw/zinc/08/74/29/979087429.db2.gz DDPJSMTVUWEDTG-UHFFFAOYSA-N 0 2 404.835 3.814 20 5 HHBDLN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436705157 981522196 /nfs/dbraw/zinc/52/21/96/981522196.db2.gz QTDIAECUWQNREE-UHFFFAOYSA-N 0 2 403.398 3.984 20 5 HHBDLN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436870986 981597849 /nfs/dbraw/zinc/59/78/49/981597849.db2.gz ROJQKWLYJRZUAF-OKILXGFUSA-N 0 2 411.458 3.979 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2cccc(Br)c2)CC1 ZINC000436939752 981635690 /nfs/dbraw/zinc/63/56/90/981635690.db2.gz QNNXHVDUVVHMHI-UHFFFAOYSA-N 0 2 403.232 3.992 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436978724 981662910 /nfs/dbraw/zinc/66/29/10/981662910.db2.gz JAQBECZDDLURNO-SFHVURJKSA-N 0 2 415.833 3.542 20 5 HHBDLN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436992558 981673439 /nfs/dbraw/zinc/67/34/39/981673439.db2.gz XBERYDMKGRVWJB-UHFFFAOYSA-N 0 2 413.430 3.578 20 5 HHBDLN COc1ccc(CCN(CC(C)C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436998283 981676101 /nfs/dbraw/zinc/67/61/01/981676101.db2.gz IQVHASFRBKLZLV-UHFFFAOYSA-N 0 2 402.447 3.659 20 5 HHBDLN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436998324 981676177 /nfs/dbraw/zinc/67/61/77/981676177.db2.gz IWRRIXPVZONWBK-UHFFFAOYSA-N 0 2 400.822 3.530 20 5 HHBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCOc2ccc(Br)cc21 ZINC000438622238 982944269 /nfs/dbraw/zinc/94/42/69/982944269.db2.gz AXJZIAUZPFBYID-AWEZNQCLSA-N 0 2 407.220 3.659 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000439844845 983555836 /nfs/dbraw/zinc/55/58/36/983555836.db2.gz WQGOFBRKTTVCSC-UHFFFAOYSA-N 0 2 414.201 3.583 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441719113 984413441 /nfs/dbraw/zinc/41/34/41/984413441.db2.gz PATFOBGJWIHSJD-UHFFFAOYSA-N 0 2 404.366 3.899 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000443308918 985484702 /nfs/dbraw/zinc/48/47/02/985484702.db2.gz DUMRKSUBEPXCKE-UHFFFAOYSA-N 0 2 418.200 3.587 20 5 HHBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(C)c(Cl)c1 ZINC000468366526 986065271 /nfs/dbraw/zinc/06/52/71/986065271.db2.gz GUFDWICSTQAZOW-UHFFFAOYSA-N 0 2 419.242 3.797 20 5 HHBDLN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000443949051 986156495 /nfs/dbraw/zinc/15/64/95/986156495.db2.gz WJHYZMPDCVYQAZ-CPCISQLKSA-N 0 2 408.320 3.869 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000468529955 986235328 /nfs/dbraw/zinc/23/53/28/986235328.db2.gz ICWWCTOSXVCDKO-NSHDSACASA-N 0 2 414.867 3.771 20 5 HHBDLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000469192991 986917025 /nfs/dbraw/zinc/91/70/25/986917025.db2.gz LQOZJFHMSDRQGG-UHFFFAOYSA-N 0 2 420.365 3.822 20 5 HHBDLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464413017 988582446 /nfs/dbraw/zinc/58/24/46/988582446.db2.gz XNRHTFALZXTRHO-UHFFFAOYSA-N 0 2 415.475 3.725 20 5 HHBDLN COc1ccc(Oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cn2)cc1 ZINC000466966336 992277267 /nfs/dbraw/zinc/27/72/67/992277267.db2.gz SIDFLRCFRVAPJV-UHFFFAOYSA-N 0 2 421.456 3.961 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1C ZINC000481592161 994438588 /nfs/dbraw/zinc/43/85/88/994438588.db2.gz JPGMRHCOKFRFQY-QGZVFWFLSA-N 0 2 406.460 3.570 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000473756268 994666160 /nfs/dbraw/zinc/66/61/60/994666160.db2.gz LEUSWXIFVPTDSL-UHFFFAOYSA-N 0 2 401.775 3.833 20 5 HHBDLN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000483144661 996001112 /nfs/dbraw/zinc/00/11/12/996001112.db2.gz CJYHRXDILQHIGJ-LLVKDONJSA-N 0 2 401.448 3.516 20 5 HHBDLN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483431525 996174895 /nfs/dbraw/zinc/17/48/95/996174895.db2.gz BLWGYGPSQCWLON-OAHLLOKOSA-N 0 2 405.838 3.737 20 5 HHBDLN Cc1c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000475825972 996395712 /nfs/dbraw/zinc/39/57/12/996395712.db2.gz HGSDXEXKUKXTHO-UHFFFAOYSA-N 0 2 410.814 3.682 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1 ZINC000476423027 996890447 /nfs/dbraw/zinc/89/04/47/996890447.db2.gz AAQSHYIKIKQKQK-UHFFFAOYSA-N 0 2 420.834 3.976 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)ccc1[N+](=O)[O-] ZINC000476429922 996900147 /nfs/dbraw/zinc/90/01/47/996900147.db2.gz GNDIQJNHPRAPHG-UHFFFAOYSA-N 0 2 418.406 3.771 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000476504197 996992108 /nfs/dbraw/zinc/99/21/08/996992108.db2.gz BCYAZVROPLWRSG-UHFFFAOYSA-N 0 2 415.427 3.516 20 5 HHBDLN CCOC(=O)c1sc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000478353832 998911583 /nfs/dbraw/zinc/91/15/83/998911583.db2.gz DAQSOJDTDZHPML-UHFFFAOYSA-N 0 2 413.411 3.853 20 5 HHBDLN CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000478878210 999189695 /nfs/dbraw/zinc/18/96/95/999189695.db2.gz FEXQTHQYPUSRJT-GTNSWQLSSA-N 0 2 424.240 3.765 20 5 HHBDLN CCCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000479538738 999467174 /nfs/dbraw/zinc/46/71/74/999467174.db2.gz JATRBFWEIRIJHJ-UHFFFAOYSA-N 0 2 402.432 3.518 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)c1[N+](=O)[O-] ZINC000480203137 999744108 /nfs/dbraw/zinc/74/41/08/999744108.db2.gz YTTCYZJOXUMIDH-UHFFFAOYSA-N 0 2 421.544 3.874 20 5 HHBDLN Cc1ccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000480629246 999845026 /nfs/dbraw/zinc/84/50/26/999845026.db2.gz CKDASMZTZMMAEU-SFHVURJKSA-N 0 2 401.419 3.505 20 5 HHBDLN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490367495 999945808 /nfs/dbraw/zinc/94/58/08/999945808.db2.gz MCOWFAFXZLOIJK-SNVBAGLBSA-N 0 2 421.335 3.805 20 5 HHBDLN O=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490401698 999951871 /nfs/dbraw/zinc/95/18/71/999951871.db2.gz SWLXFQHJJFZDRW-UHFFFAOYSA-N 0 2 408.201 3.704 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2c(-c3cccnc3)nc3ccccn32)cc1[N+](=O)[O-] ZINC000493026419 1000154359 /nfs/dbraw/zinc/15/43/59/1000154359.db2.gz ABAQCNOXIBUUOU-UHFFFAOYSA-N 0 2 423.454 3.722 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000497499075 1001403624 /nfs/dbraw/zinc/40/36/24/1001403624.db2.gz LMYXMQMDUSQLSU-INIZCTEOSA-N 0 2 415.204 3.960 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000499069787 1002453624 /nfs/dbraw/zinc/45/36/24/1002453624.db2.gz XCQPQVNZJNPWSX-UHFFFAOYSA-N 0 2 416.821 3.950 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)c([N+](=O)[O-])c1 ZINC000508088043 1002611480 /nfs/dbraw/zinc/61/14/80/1002611480.db2.gz IQPPSYMIKRVIDL-UHFFFAOYSA-N 0 2 413.864 3.976 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1[N+](=O)[O-] ZINC000508141063 1002674719 /nfs/dbraw/zinc/67/47/19/1002674719.db2.gz DJULDEXHIIIXEY-UHFFFAOYSA-N 0 2 413.864 3.976 20 5 HHBDLN O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000509185813 1003611740 /nfs/dbraw/zinc/61/17/40/1003611740.db2.gz PPERAFSBVSQYBP-UHFFFAOYSA-N 0 2 406.398 3.874 20 5 HHBDLN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000500938807 1004065131 /nfs/dbraw/zinc/06/51/31/1004065131.db2.gz FLJCRNSXKNUSMY-SECBINFHSA-N 0 2 405.773 3.578 20 5 HHBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000510685066 1004797965 /nfs/dbraw/zinc/79/79/65/1004797965.db2.gz UWTMPSVBRLGCTK-MRVPVSSYSA-N 0 2 421.219 3.675 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000502410218 1005064044 /nfs/dbraw/zinc/06/40/44/1005064044.db2.gz MUCPGGGGNGBAHR-UHFFFAOYSA-N 0 2 400.416 3.543 20 5 HHBDLN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C3)cs1 ZINC000503341814 1005394014 /nfs/dbraw/zinc/39/40/14/1005394014.db2.gz JGOIANOHRWJYFK-UHFFFAOYSA-N 0 2 401.469 3.992 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000531364667 1006151629 /nfs/dbraw/zinc/15/16/29/1006151629.db2.gz FUXLIJDEUMTPGE-UHFFFAOYSA-N 0 2 414.399 3.541 20 5 HHBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000515619903 1006562804 /nfs/dbraw/zinc/56/28/04/1006562804.db2.gz YRVNEPRNMKSNKX-UHFFFAOYSA-N 0 2 423.191 3.760 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1-c1cc(C)ccc1C ZINC000533005725 1007371843 /nfs/dbraw/zinc/37/18/43/1007371843.db2.gz XWTAREDVOUDFGR-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2C)o1 ZINC000533228961 1007550528 /nfs/dbraw/zinc/55/05/28/1007550528.db2.gz QFTZDCGOMGFULO-UHFFFAOYSA-N 0 2 410.839 3.957 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000539975290 1008216293 /nfs/dbraw/zinc/21/62/93/1008216293.db2.gz WZESXJIJAVHQLD-UHFFFAOYSA-N 0 2 404.176 3.569 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000543643754 1009248031 /nfs/dbraw/zinc/24/80/31/1009248031.db2.gz QTFFHJDIMKQSPK-UHFFFAOYSA-N 0 2 424.891 3.606 20 5 HHBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551118598 1010382627 /nfs/dbraw/zinc/38/26/27/1010382627.db2.gz NPZUNIUQWONBAU-UHFFFAOYSA-N 0 2 417.285 3.552 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c(Cl)c1 ZINC000536183971 1011319489 /nfs/dbraw/zinc/31/94/89/1011319489.db2.gz QHAMTLFXQVYILW-UHFFFAOYSA-N 0 2 402.766 3.863 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(I)ccc1Cl ZINC000536193828 1011335676 /nfs/dbraw/zinc/33/56/76/1011335676.db2.gz VNALPMRGABVUKV-UHFFFAOYSA-N 0 2 418.574 3.811 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000536414184 1011628913 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JWJVNIYNHHFZJQ-UHFFFAOYSA-N 0 2 418.427 3.714 20 5 HHBDLN O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031892480 966146915 /nfs/dbraw/zinc/14/69/15/966146915.db2.gz FJUAOUCHXNLXIF-INIZCTEOSA-N 0 2 407.829 3.660 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)cc1C ZINC000065079990 967368643 /nfs/dbraw/zinc/36/86/43/967368643.db2.gz HMNLSXMCSQGXGZ-UHFFFAOYSA-N 0 2 421.544 3.874 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccco1 ZINC000068838725 968793348 /nfs/dbraw/zinc/79/33/48/968793348.db2.gz SQXKSLHIVBTCKP-UHFFFAOYSA-N 0 2 417.443 3.634 20 5 HHBDLN COC(=O)c1cc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc([N+](=O)[O-])c1 ZINC000145831583 970273523 /nfs/dbraw/zinc/27/35/23/970273523.db2.gz FUQJOFJQGSPOMF-UHFFFAOYSA-N 0 2 417.381 3.572 20 5 HHBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000554723058 1014031739 /nfs/dbraw/zinc/03/17/39/1014031739.db2.gz NWGSFGSVWNXONK-IBGZPJMESA-N 0 2 423.473 3.839 20 5 HHBDLN Cc1cc(Br)cnc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000391188109 972838172 /nfs/dbraw/zinc/83/81/72/972838172.db2.gz NGBSQHLLKFFJMM-UHFFFAOYSA-N 0 2 420.672 3.823 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000410332545 973908497 /nfs/dbraw/zinc/90/84/97/973908497.db2.gz KVXYLXQGYZRURH-UHFFFAOYSA-N 0 2 405.476 3.783 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cc(CCc3ccccc3)ccn2)cc1[N+](=O)[O-] ZINC000426208881 974313720 /nfs/dbraw/zinc/31/37/20/974313720.db2.gz PWOFRRNPBXMDRZ-UHFFFAOYSA-N 0 2 413.455 3.584 20 5 HHBDLN Cc1nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)cc2s1 ZINC000427105416 974907449 /nfs/dbraw/zinc/90/74/49/974907449.db2.gz YKAOACMFTBKDSQ-UHFFFAOYSA-N 0 2 415.399 3.915 20 5 HHBDLN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000436780673 981558030 /nfs/dbraw/zinc/55/80/30/981558030.db2.gz FSSQFHUPANOBHM-UHFFFAOYSA-N 0 2 424.438 3.869 20 5 HHBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000436890928 981602953 /nfs/dbraw/zinc/60/29/53/981602953.db2.gz GTADGAQUUMSOHA-UHFFFAOYSA-N 0 2 410.257 3.960 20 5 HHBDLN COc1ccc(CN(CCc2ccccn2)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436916458 981621902 /nfs/dbraw/zinc/62/19/02/981621902.db2.gz WLFWUOOYJGWUSO-UHFFFAOYSA-N 0 2 407.426 3.589 20 5 HHBDLN O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000436963574 981651115 /nfs/dbraw/zinc/65/11/15/981651115.db2.gz ZTWJFISWGZFMLT-LJQANCHMSA-N 0 2 418.409 3.596 20 5 HHBDLN O=C(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)Nc1ccccc1F ZINC000436976260 981661329 /nfs/dbraw/zinc/66/13/29/981661329.db2.gz BGMUUVFOGXOJLI-UHFFFAOYSA-N 0 2 409.373 3.873 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1C ZINC000437192528 981849730 /nfs/dbraw/zinc/84/97/30/981849730.db2.gz YFSJAQIZUMJSDO-UHFFFAOYSA-N 0 2 422.463 3.594 20 5 HHBDLN Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cnn1-c1ccc(Cl)cc1 ZINC000460420000 982207452 /nfs/dbraw/zinc/20/74/52/982207452.db2.gz MZVKPVCOGZKOFB-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC000438778850 983066194 /nfs/dbraw/zinc/06/61/94/983066194.db2.gz YALTVKFOEYUVSP-UHFFFAOYSA-N 0 2 421.656 3.826 20 5 HHBDLN C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000438790550 983072793 /nfs/dbraw/zinc/07/27/93/983072793.db2.gz LBNFOVSUMPSHJA-JTQLQIEISA-N 0 2 421.335 3.805 20 5 HHBDLN Cc1c(Br)cc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000438798311 983077373 /nfs/dbraw/zinc/07/73/73/983077373.db2.gz XLQQURQWLILGCG-UHFFFAOYSA-N 0 2 418.294 3.800 20 5 HHBDLN CCc1ccc([C@H](COC)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000462303528 985289744 /nfs/dbraw/zinc/28/97/44/985289744.db2.gz ABHLFSREAOTDPN-LBPRGKRZSA-N 0 2 423.274 3.723 20 5 HHBDLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000468368114 986067435 /nfs/dbraw/zinc/06/74/35/986067435.db2.gz RFBMERDJXNFFAU-LBPRGKRZSA-N 0 2 414.867 3.771 20 5 HHBDLN Cc1nn(CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000463174721 986146759 /nfs/dbraw/zinc/14/67/59/986146759.db2.gz WWYZOUWXXQFALY-UHFFFAOYSA-N 0 2 424.248 3.529 20 5 HHBDLN Cc1ccnc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc2)n1 ZINC000463503688 986479145 /nfs/dbraw/zinc/47/91/45/986479145.db2.gz WFFQQWMQQUXUBO-UHFFFAOYSA-N 0 2 421.438 3.709 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000463527392 986504285 /nfs/dbraw/zinc/50/42/85/986504285.db2.gz OXGKAOSDKFTADJ-UHFFFAOYSA-N 0 2 407.835 3.996 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470450130 988430054 /nfs/dbraw/zinc/43/00/54/988430054.db2.gz UICUATGTSURWIM-UHFFFAOYSA-N 0 2 403.416 3.676 20 5 HHBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)n1 ZINC000470789206 988846200 /nfs/dbraw/zinc/84/62/00/988846200.db2.gz QEWCBRNRUNUVAB-UHFFFAOYSA-N 0 2 406.851 3.758 20 5 HHBDLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000471508808 989707338 /nfs/dbraw/zinc/70/73/38/989707338.db2.gz RYSHFGHVOZHXRU-OAHLLOKOSA-N 0 2 404.473 3.789 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000471522106 989721829 /nfs/dbraw/zinc/72/18/29/989721829.db2.gz JTUTWTZZVAOZAU-UHFFFAOYSA-N 0 2 418.500 3.881 20 5 HHBDLN CC(C)CCOc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000467072953 992378372 /nfs/dbraw/zinc/37/83/72/992378372.db2.gz DFZNHXOXRSHRLU-UHFFFAOYSA-N 0 2 422.459 3.592 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481953230 994834776 /nfs/dbraw/zinc/83/47/76/994834776.db2.gz CKBDGOQXIVLVSN-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN O=C(Cc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483433889 996176621 /nfs/dbraw/zinc/17/66/21/996176621.db2.gz CDTNZJYPMPINAP-UHFFFAOYSA-N 0 2 408.410 3.939 20 5 HHBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2cnn(Cc3cccs3)c2n1 ZINC000483438463 996179190 /nfs/dbraw/zinc/17/91/90/996179190.db2.gz JBCAOYPHCPBIKQ-UHFFFAOYSA-N 0 2 409.427 3.716 20 5 HHBDLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475786825 996370647 /nfs/dbraw/zinc/37/06/47/996370647.db2.gz DYYMONKTUXJXKZ-UHFFFAOYSA-N 0 2 419.228 3.614 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 ZINC000475829803 996398712 /nfs/dbraw/zinc/39/87/12/996398712.db2.gz MRKXQXYARYPECY-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN COc1ccc(-c2nc(SCc3ccc([N+](=O)[O-])c(OC)c3)n[nH]2)c(OC)c1 ZINC000484710217 997048447 /nfs/dbraw/zinc/04/84/47/997048447.db2.gz AHZHQQZCWMQMSG-UHFFFAOYSA-N 0 2 402.432 3.698 20 5 HHBDLN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])c(OC)c3)n2)c(OC)c1 ZINC000484710217 997048465 /nfs/dbraw/zinc/04/84/65/997048465.db2.gz AHZHQQZCWMQMSG-UHFFFAOYSA-N 0 2 402.432 3.698 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)c(F)c1 ZINC000485398936 997828900 /nfs/dbraw/zinc/82/89/00/997828900.db2.gz NPXYMSPOADHAJI-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000478329478 998892311 /nfs/dbraw/zinc/89/23/11/998892311.db2.gz SWCMDLSDGDHYSK-UHFFFAOYSA-N 0 2 414.372 3.511 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c(Cl)c1 ZINC000479536917 999466078 /nfs/dbraw/zinc/46/60/78/999466078.db2.gz ARDRRGXJVCSBCH-UHFFFAOYSA-N 0 2 413.242 3.888 20 5 HHBDLN Cc1csc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1Br ZINC000488873469 999633266 /nfs/dbraw/zinc/63/32/66/999633266.db2.gz ZDODDOZMOWHJLK-UHFFFAOYSA-N 0 2 408.237 3.765 20 5 HHBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OCc2ccncc2)cc1 ZINC000490372113 999946620 /nfs/dbraw/zinc/94/66/20/999946620.db2.gz QZWFDOYCQORCAG-UHFFFAOYSA-N 0 2 416.397 3.606 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(-c2ccc(F)cc2)n1 ZINC000508075008 1002597417 /nfs/dbraw/zinc/59/74/17/1002597417.db2.gz VLAISNULGUGHRS-UHFFFAOYSA-N 0 2 416.434 3.917 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c1 ZINC000509395697 1003825716 /nfs/dbraw/zinc/82/57/16/1003825716.db2.gz DQFDALQGPFIQCT-UHFFFAOYSA-N 0 2 408.233 3.706 20 5 HHBDLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000500628256 1003843947 /nfs/dbraw/zinc/84/39/47/1003843947.db2.gz AOVCOBUPEPWFNY-LJQANCHMSA-N 0 2 414.418 3.513 20 5 HHBDLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000510104610 1004327695 /nfs/dbraw/zinc/32/76/95/1004327695.db2.gz UGXQFPCDRAAAJJ-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000511521732 1005209541 /nfs/dbraw/zinc/20/95/41/1005209541.db2.gz BDDZTGDFQXKIOX-GOSISDBHSA-N 0 2 415.833 3.542 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1C ZINC000511727580 1005295191 /nfs/dbraw/zinc/29/51/91/1005295191.db2.gz QPQABCNNKCNXHZ-KRWDZBQOSA-N 0 2 420.487 3.960 20 5 HHBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(OC[C@H]2CCCO2)c1 ZINC000511741914 1005301998 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CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1OCCOC ZINC000520768882 1009838348 /nfs/dbraw/zinc/83/83/48/1009838348.db2.gz RBMMODFZOPTXMD-UHFFFAOYSA-N 0 2 414.867 3.637 20 5 HHBDLN O=C(CCNc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000544404246 1010024684 /nfs/dbraw/zinc/02/46/84/1010024684.db2.gz JGWSTDNKYGYIOM-UHFFFAOYSA-N 0 2 404.732 3.808 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000544408405 1010026992 /nfs/dbraw/zinc/02/69/92/1010026992.db2.gz XRYKVLFPFGLHJO-UHFFFAOYSA-N 0 2 407.411 3.862 20 5 HHBDLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544626289 1010249673 /nfs/dbraw/zinc/24/96/73/1010249673.db2.gz OXUQCZJVLQKMKA-UHFFFAOYSA-N 0 2 406.489 3.627 20 5 HHBDLN CNc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1[N+](=O)[O-] ZINC000547324321 1010252701 /nfs/dbraw/zinc/25/27/01/1010252701.db2.gz FPRXNQYEXKKCTB-UHFFFAOYSA-N 0 2 407.217 3.981 20 5 HHBDLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544636500 1010260262 /nfs/dbraw/zinc/26/02/62/1010260262.db2.gz OBOYHZDKKMLZSA-UHFFFAOYSA-N 0 2 415.862 3.779 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)s1 ZINC000544667663 1010286080 /nfs/dbraw/zinc/28/60/80/1010286080.db2.gz QFMATPVSCRGBFZ-LLVKDONJSA-N 0 2 402.322 3.516 20 5 HHBDLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000551331714 1010520259 /nfs/dbraw/zinc/52/02/59/1010520259.db2.gz GCNWLEBZHONRIG-UHFFFAOYSA-N 0 2 420.310 3.912 20 5 HHBDLN O=C(Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1)c1ccc2[nH]cnc2c1 ZINC000536191540 1011331087 /nfs/dbraw/zinc/33/10/87/1011331087.db2.gz JYNZJGCCQGHLQW-UHFFFAOYSA-N 0 2 417.381 3.681 20 5 HHBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000523534567 1012065557 /nfs/dbraw/zinc/06/55/57/1012065557.db2.gz BSRXRVLHIUCYDE-UHFFFAOYSA-N 0 2 406.460 3.863 20 5 HHBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1-c1ccc(Br)cc1 ZINC000541586703 1012377388 /nfs/dbraw/zinc/37/73/88/1012377388.db2.gz PUUKDPYQIBSBPU-UHFFFAOYSA-N 0 2 417.219 3.809 20 5 HHBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000552428500 1012446456 /nfs/dbraw/zinc/44/64/56/1012446456.db2.gz DDUZGCOFAWILTN-UHFFFAOYSA-N 0 2 407.213 4.354 20 5 HHBDLN COc1cccc(-c2nc(=NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)s[nH]2)c1 ZINC000541756710 1012616941 /nfs/dbraw/zinc/61/69/41/1012616941.db2.gz UOBBTUMZXJKCLO-UHFFFAOYSA-N 0 2 413.459 3.601 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000912730429 1072272854 /nfs/dbraw/zinc/27/28/54/1072272854.db2.gz NAPYMMXLRMFMQT-UHFFFAOYSA-N 0 2 405.476 3.785 20 5 HHBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000479154622 1072777659 /nfs/dbraw/zinc/77/76/59/1072777659.db2.gz JNHGUABPWFNARW-UHFFFAOYSA-N 0 2 404.835 3.814 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1C ZINC000590526290 1073903593 /nfs/dbraw/zinc/90/35/93/1073903593.db2.gz TYHPNPLGYGSRAJ-LBPRGKRZSA-N 0 2 424.548 3.701 20 5 HHBDLN Cc1ccc(Br)cc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598207 1073933029 /nfs/dbraw/zinc/93/30/29/1073933029.db2.gz NYATYLDRFHVFJW-UHFFFAOYSA-N 0 2 403.229 3.914 20 5 HHBDLN Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] ZINC000524297692 1013108935 /nfs/dbraw/zinc/10/89/35/1013108935.db2.gz SJAXMJXQTYOTCG-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN CC(C)(C)c1nc(=NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s[nH]1 ZINC000524319707 1013138697 /nfs/dbraw/zinc/13/86/97/1013138697.db2.gz XJPMBZWEPCABSH-UHFFFAOYSA-N 0 2 420.438 3.915 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000537768498 1013330541 /nfs/dbraw/zinc/33/05/41/1013330541.db2.gz KVUAWKWVPTXCGL-UHFFFAOYSA-N 0 2 410.283 3.896 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000537766654 1013330237 /nfs/dbraw/zinc/33/02/37/1013330237.db2.gz DVRKXNLXXMOCOO-NSHDSACASA-N 0 2 410.213 3.599 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1CS(=O)(=O)c1ccccc1 ZINC000537769467 1013331636 /nfs/dbraw/zinc/33/16/36/1013331636.db2.gz YGRNKPCAWRTKHM-UHFFFAOYSA-N 0 2 412.423 3.527 20 5 HHBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000553717882 1013568685 /nfs/dbraw/zinc/56/86/85/1013568685.db2.gz SOOBNLSKARZHAS-GTNSWQLSSA-N 0 2 410.348 3.921 20 5 HHBDLN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC ZINC000055564198 965921474 /nfs/dbraw/zinc/92/14/74/965921474.db2.gz QPDGCNFFSGLBFW-UHFFFAOYSA-N 0 2 400.840 3.846 20 5 HHBDLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc2F)n1 ZINC000055649396 965994403 /nfs/dbraw/zinc/99/44/03/965994403.db2.gz JCEIRABGFLZVTA-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)c(C(F)(F)F)c1 ZINC000542709123 1013622353 /nfs/dbraw/zinc/62/23/53/1013622353.db2.gz JNQBPLGBNTVNDG-UHFFFAOYSA-N 0 2 424.360 3.871 20 5 HHBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000542722053 1013633739 /nfs/dbraw/zinc/63/37/39/1013633739.db2.gz AIDQEYGMDHWGSD-UHFFFAOYSA-N 0 2 423.454 3.951 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542728268 1013640213 /nfs/dbraw/zinc/64/02/13/1013640213.db2.gz LMDCSPOLCJBTQU-UHFFFAOYSA-N 0 2 400.460 3.815 20 5 HHBDLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000062930492 966744298 /nfs/dbraw/zinc/74/42/98/966744298.db2.gz XRUOGYXUMVFRTE-UHFFFAOYSA-N 0 2 414.867 3.773 20 5 HHBDLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538116788 1013677781 /nfs/dbraw/zinc/67/77/81/1013677781.db2.gz NRNXNZDSTLIZAX-CRAIPNDOSA-N 0 2 407.829 3.658 20 5 HHBDLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538116788 1013677787 /nfs/dbraw/zinc/67/77/87/1013677787.db2.gz NRNXNZDSTLIZAX-CRAIPNDOSA-N 0 2 407.829 3.658 20 5 HHBDLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000112662617 969822604 /nfs/dbraw/zinc/82/26/04/969822604.db2.gz WLWNBPVOXRVCEV-UHFFFAOYSA-N 0 2 404.423 3.646 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccccc2OCc2cscn2)ccc1[N+](=O)[O-] ZINC000261488878 970719640 /nfs/dbraw/zinc/71/96/40/970719640.db2.gz XGVMUJYIEPYWBY-UHFFFAOYSA-N 0 2 405.457 3.740 20 5 HHBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000317970035 972659162 /nfs/dbraw/zinc/65/91/62/972659162.db2.gz ONMJACCUDOBNND-UHFFFAOYSA-N 0 2 407.629 3.517 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000319043383 972668177 /nfs/dbraw/zinc/66/81/77/972668177.db2.gz LPNPACTVPIICLP-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409534332 972989851 /nfs/dbraw/zinc/98/98/51/972989851.db2.gz KDCYVDBJAYXUOP-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000409901300 973363097 /nfs/dbraw/zinc/36/30/97/973363097.db2.gz CTGRSBCYDMLDBW-KDOFPFPSSA-N 0 2 403.232 3.906 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410364146 973957637 /nfs/dbraw/zinc/95/76/37/973957637.db2.gz YDVWCRHKQRPSAU-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000410403661 974003048 /nfs/dbraw/zinc/00/30/48/974003048.db2.gz MDQFPCMTJZNGJU-UHFFFAOYSA-N 0 2 415.265 3.865 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430029987 977282135 /nfs/dbraw/zinc/28/21/35/977282135.db2.gz GXODGEIKAPGFOF-UHFFFAOYSA-N 0 2 405.233 3.550 20 5 HHBDLN Cc1cc(C)c(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)cc1[N+](=O)[O-] ZINC000430068118 977305985 /nfs/dbraw/zinc/30/59/85/977305985.db2.gz VSHXSYHCHJVTHZ-UHFFFAOYSA-N 0 2 408.823 3.716 20 5 HHBDLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)s2)c(C)c1 ZINC000431334563 978219374 /nfs/dbraw/zinc/21/93/74/978219374.db2.gz ZJPWOJJDWNIGJE-UHFFFAOYSA-N 0 2 404.473 3.839 20 5 HHBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000432306678 978754760 /nfs/dbraw/zinc/75/47/60/978754760.db2.gz IUWIDIFVQNXADC-GFCCVEGCSA-N 0 2 406.357 3.748 20 5 HHBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1Cl ZINC000432475965 978834832 /nfs/dbraw/zinc/83/48/32/978834832.db2.gz LGWQCPMAXMMAAV-UHFFFAOYSA-N 0 2 421.656 3.820 20 5 HHBDLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434625421 980305677 /nfs/dbraw/zinc/30/56/77/980305677.db2.gz DIVJJHBJJWVRRK-UHFFFAOYSA-N 0 2 402.375 3.622 20 5 HHBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000436710642 981524946 /nfs/dbraw/zinc/52/49/46/981524946.db2.gz WZQLVWNQLPFDBL-DIFFPNOSSA-N 0 2 410.348 3.921 20 5 HHBDLN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436899932 981606571 /nfs/dbraw/zinc/60/65/71/981606571.db2.gz LUAOXDVFNIQJKT-APPDUMDISA-N 0 2 421.247 3.665 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437350248 982000452 /nfs/dbraw/zinc/00/04/52/982000452.db2.gz VJPQLGNSUNKPGG-UHFFFAOYSA-N 0 2 400.363 3.868 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460823873 982575817 /nfs/dbraw/zinc/57/58/17/982575817.db2.gz OBQDPGVEOXPJGX-UHFFFAOYSA-N 0 2 410.423 3.865 20 5 HHBDLN CCCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000442232829 984752837 /nfs/dbraw/zinc/75/28/37/984752837.db2.gz LAUCBGCVMCCTKT-UHFFFAOYSA-N 0 2 400.460 3.842 20 5 HHBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)c1 ZINC000442318671 984818189 /nfs/dbraw/zinc/81/81/89/984818189.db2.gz BOWIZZZHEBPYNT-UHFFFAOYSA-N 0 2 420.834 3.976 20 5 HHBDLN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000462656018 985595884 /nfs/dbraw/zinc/59/58/84/985595884.db2.gz KIOLOOCDSXFQDX-ZETCQYMHSA-N 0 2 423.278 3.622 20 5 HHBDLN COc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)ccc1[N+](=O)[O-] ZINC000463175693 986147724 /nfs/dbraw/zinc/14/77/24/986147724.db2.gz ZLWLQRDUNMEXEV-UHFFFAOYSA-N 0 2 408.201 3.948 20 5 HHBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1C(F)(F)F ZINC000444047901 986245631 /nfs/dbraw/zinc/24/56/31/986245631.db2.gz HBUWWCYJEJFLKS-UHFFFAOYSA-N 0 2 424.360 3.871 20 5 HHBDLN Cc1nccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)n1 ZINC000463518981 986495995 /nfs/dbraw/zinc/49/59/95/986495995.db2.gz OBJHWIGAVZCPEY-UHFFFAOYSA-N 0 2 421.438 3.709 20 5 HHBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463746875 986735190 /nfs/dbraw/zinc/73/51/90/986735190.db2.gz AEEOHIIFGOSIAD-UHFFFAOYSA-N 0 2 400.363 3.868 20 5 HHBDLN O=C(NCC1(c2cccc(Br)c2)CCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469560199 987230680 /nfs/dbraw/zinc/23/06/80/987230680.db2.gz JOKHXYRCOGFDRL-UHFFFAOYSA-N 0 2 405.248 3.915 20 5 HHBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1sc(Br)cc1[N+](=O)[O-] ZINC000445184029 987265038 /nfs/dbraw/zinc/26/50/38/987265038.db2.gz JYIIOQHIGPSBIV-UHFFFAOYSA-N 0 2 411.262 3.612 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c2ncccc12 ZINC000464404977 988572571 /nfs/dbraw/zinc/57/25/71/988572571.db2.gz KHNMAPICROXANM-UHFFFAOYSA-N 0 2 420.450 3.930 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c(Cl)c1 ZINC000471510106 989708855 /nfs/dbraw/zinc/70/88/55/989708855.db2.gz GPYGTLMWVQWMRE-UHFFFAOYSA-N 0 2 402.866 3.629 20 5 HHBDLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)s2)cc1 ZINC000471520732 989720316 /nfs/dbraw/zinc/72/03/16/989720316.db2.gz GQOOSMDHRZLJFY-UHFFFAOYSA-N 0 2 418.500 3.763 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c(Cl)c1 ZINC000471589300 989793144 /nfs/dbraw/zinc/79/31/44/989793144.db2.gz FPCXTGBBYRGJBB-UHFFFAOYSA-N 0 2 413.242 3.888 20 5 HHBDLN Cc1ccccc1-c1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n(C)n1 ZINC000481017686 993860755 /nfs/dbraw/zinc/86/07/55/993860755.db2.gz CZSRILPBWALNNB-UHFFFAOYSA-N 0 2 400.460 3.721 20 5 HHBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Oc3ncccn3)cc2C)c1C ZINC000481585079 994428474 /nfs/dbraw/zinc/42/84/74/994428474.db2.gz HPTVCLMIWVXUKL-UHFFFAOYSA-N 0 2 414.443 3.903 20 5 HHBDLN 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ZINC000542729111 1013641164 /nfs/dbraw/zinc/64/11/64/1013641164.db2.gz OSBBXKZXGCVRSK-KRWDZBQOSA-N 0 2 416.459 3.740 20 5 HHBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000065115095 967384049 /nfs/dbraw/zinc/38/40/49/967384049.db2.gz ODSWSNLAYRXKML-UHFFFAOYSA-N 0 2 422.426 3.764 20 5 HHBDLN COc1ccc(-c2cc3[nH]c(CC(=O)c4cccc([N+](=O)[O-])c4)nc(=O)c3s2)cc1 ZINC000538305693 1013839110 /nfs/dbraw/zinc/83/91/10/1013839110.db2.gz IQRKSPQLUMNBLL-UHFFFAOYSA-N 0 2 421.434 3.994 20 5 HHBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1Cc1ccccc1F ZINC000409532103 972988822 /nfs/dbraw/zinc/98/88/22/972988822.db2.gz CHEHPWBDUGONES-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000410333883 973909642 /nfs/dbraw/zinc/90/96/42/973909642.db2.gz WBXXFQPPIMRKFG-UHFFFAOYSA-N 0 2 405.476 3.783 20 5 HHBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)sc1C ZINC000410404434 974004903 /nfs/dbraw/zinc/00/49/03/974004903.db2.gz 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O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436970670 981656070 /nfs/dbraw/zinc/65/60/70/981656070.db2.gz FPJBXUICJWWEOJ-UHFFFAOYSA-N 0 2 418.471 3.800 20 5 HHBDLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000460418891 982205740 /nfs/dbraw/zinc/20/57/40/982205740.db2.gz KKCLUMRXYXPKRG-UHFFFAOYSA-N 0 2 422.850 3.552 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000437654099 982271764 /nfs/dbraw/zinc/27/17/64/982271764.db2.gz LELOXEMOVUSMBD-UHFFFAOYSA-N 0 2 405.457 3.836 20 5 HHBDLN CCc1nc(NS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)sc1C ZINC000438799057 983077717 /nfs/dbraw/zinc/07/77/17/983077717.db2.gz WOFIPIBZAQZDNF-UHFFFAOYSA-N 0 2 420.310 3.794 20 5 HHBDLN COc1ccc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000439884358 983569191 /nfs/dbraw/zinc/56/91/91/983569191.db2.gz SYUDNQFJWMGDDX-UHFFFAOYSA-N 0 2 403.391 3.605 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000468379918 986079993 /nfs/dbraw/zinc/07/99/93/986079993.db2.gz ROJAKMBLTQJWOI-GFCCVEGCSA-N 0 2 414.867 3.771 20 5 HHBDLN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463162632 986134429 /nfs/dbraw/zinc/13/44/29/986134429.db2.gz QEYWCYFQLONTHU-UHFFFAOYSA-N 0 2 408.201 3.704 20 5 HHBDLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)c2)n1 ZINC000463498926 986474653 /nfs/dbraw/zinc/47/46/53/986474653.db2.gz GOKYDQAFBZNXJZ-UHFFFAOYSA-N 0 2 421.438 3.709 20 5 HHBDLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000469015466 986723537 /nfs/dbraw/zinc/72/35/37/986723537.db2.gz PDUHNHODTHAGSX-GFCCVEGCSA-N 0 2 414.867 3.771 20 5 HHBDLN Cc1ccc(-c2ncco2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463792236 986784352 /nfs/dbraw/zinc/78/43/52/986784352.db2.gz WIQIULPOMDTDHO-UHFFFAOYSA-N 0 2 410.411 3.907 20 5 HHBDLN C[C@H]1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)sc2C1 ZINC000464407717 988576434 /nfs/dbraw/zinc/57/64/34/988576434.db2.gz HAMLOIZVTIOQBQ-JTQLQIEISA-N 0 2 404.473 3.525 20 5 HHBDLN CSc1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1Cl ZINC000464410128 988579589 /nfs/dbraw/zinc/57/95/89/988579589.db2.gz MOKVWYMFDVRDGM-UHFFFAOYSA-N 0 2 409.876 4.319 20 5 HHBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000470870212 988939247 /nfs/dbraw/zinc/93/92/47/988939247.db2.gz RRSCSSXZUIREPQ-UHFFFAOYSA-N 0 2 404.835 3.840 20 5 HHBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000481853782 994710296 /nfs/dbraw/zinc/71/02/96/994710296.db2.gz AHLRGZUOFLNHHQ-UHFFFAOYSA-N 0 2 422.463 3.978 20 5 HHBDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000481860771 994719356 /nfs/dbraw/zinc/71/93/56/994719356.db2.gz RMJCHJPSAPUJJC-UHFFFAOYSA-N 0 2 422.463 3.978 20 5 HHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000483432991 996175984 /nfs/dbraw/zinc/17/59/84/996175984.db2.gz LLUOSLWSTOHLHA-CQSZACIVSA-N 0 2 424.240 3.851 20 5 HHBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000475832864 996401201 /nfs/dbraw/zinc/40/12/01/996401201.db2.gz QQJCLABJUAMNIP-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000484111868 996576563 /nfs/dbraw/zinc/57/65/63/996576563.db2.gz GRIDYRMBLTXXMM-UHFFFAOYSA-N 0 2 409.427 3.642 20 5 HHBDLN Cc1cc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1I ZINC000476500939 996988051 /nfs/dbraw/zinc/98/80/51/996988051.db2.gz YIOZUHTZCSZBFN-UHFFFAOYSA-N 0 2 412.183 3.774 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCSC1 ZINC000484807357 997161715 /nfs/dbraw/zinc/16/17/15/997161715.db2.gz DXPGVYQPDHAVLH-CYBMUJFWSA-N 0 2 423.516 3.712 20 5 HHBDLN O=c1c(Cl)c(/C=C\c2ccc(O)c([N+](=O)[O-])c2)nc2ccc(Br)cn12 ZINC000486025890 998472890 /nfs/dbraw/zinc/47/28/90/998472890.db2.gz KRDGYNBJINHBLO-RJRFIUFISA-N 0 2 422.622 3.895 20 5 HHBDLN CC[C@@H](C)c1nnc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000486613976 998857805 /nfs/dbraw/zinc/85/78/05/998857805.db2.gz CDDGSUVUZQBJRR-SFYZADRCSA-N 0 2 422.294 3.573 20 5 HHBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000486613976 998857806 /nfs/dbraw/zinc/85/78/06/998857806.db2.gz CDDGSUVUZQBJRR-SFYZADRCSA-N 0 2 422.294 3.573 20 5 HHBDLN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000487724369 999266636 /nfs/dbraw/zinc/26/66/36/999266636.db2.gz USGHITHAGACBDO-YWZLYKJASA-N 0 2 408.414 3.511 20 5 HHBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000480199453 999743116 /nfs/dbraw/zinc/74/31/16/999743116.db2.gz VPKIBTZQSFLBFY-UHFFFAOYSA-N 0 2 420.487 3.818 20 5 HHBDLN CCc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 ZINC000480226668 999750374 /nfs/dbraw/zinc/75/03/74/999750374.db2.gz OJIVUCWYBSJZJD-UHFFFAOYSA-N 0 2 406.851 3.797 20 5 HHBDLN CCCCn1ncc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1C(C)C ZINC000480228764 999750933 /nfs/dbraw/zinc/75/09/33/999750933.db2.gz ORRSDJKLAOJHBR-UHFFFAOYSA-N 0 2 414.459 3.663 20 5 HHBDLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C ZINC000498959640 1002353125 /nfs/dbraw/zinc/35/31/25/1002353125.db2.gz ZFAFNXQNMWWSQT-UHFFFAOYSA-N 0 2 418.880 3.904 20 5 HHBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000509036107 1003506231 /nfs/dbraw/zinc/50/62/31/1003506231.db2.gz DZVMBBFVLLVIOH-ZDUSSCGKSA-N 0 2 412.377 3.509 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1C ZINC000511727581 1005294937 /nfs/dbraw/zinc/29/49/37/1005294937.db2.gz QPQABCNNKCNXHZ-QGZVFWFLSA-N 0 2 420.487 3.960 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000534067151 1006038705 /nfs/dbraw/zinc/03/87/05/1006038705.db2.gz IESWCXBFWBUREP-UHFFFAOYSA-N 0 2 404.382 3.779 20 5 HHBDLN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000534068981 1006040234 /nfs/dbraw/zinc/04/02/34/1006040234.db2.gz DQLFZVPUHIDQIO-UHFFFAOYSA-N 0 2 406.807 3.735 20 5 HHBDLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)n1 ZINC000515629930 1006567799 /nfs/dbraw/zinc/56/77/99/1006567799.db2.gz PTHWVDFLOLSRFL-UHFFFAOYSA-N 0 2 406.851 3.852 20 5 HHBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000538753460 1007039546 /nfs/dbraw/zinc/03/95/46/1007039546.db2.gz OTTWFWXFXLCCDU-UHFFFAOYSA-N 0 2 400.338 3.599 20 5 HHBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c(Br)c1 ZINC000533005699 1007372031 /nfs/dbraw/zinc/37/20/31/1007372031.db2.gz UKMOMVTYPZJJKO-UHFFFAOYSA-N 0 2 409.620 3.951 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000539971239 1008214191 /nfs/dbraw/zinc/21/41/91/1008214191.db2.gz LNMUJHDYNNRDJD-UHFFFAOYSA-N 0 2 412.423 3.527 20 5 HHBDLN Cc1nc(NCc2cccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2)cc[nH+]1 ZINC000543567184 1009172181 /nfs/dbraw/zinc/17/21/81/1009172181.db2.gz DSSYMBZAHBPTKD-UHFFFAOYSA-N 0 2 413.821 3.917 20 5 HHBDLN Cc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n(Cc2ccccc2)n1 ZINC000544626239 1010249939 /nfs/dbraw/zinc/24/99/39/1010249939.db2.gz NTFAFLHAVGJXNV-UHFFFAOYSA-N 0 2 400.460 3.566 20 5 HHBDLN Cc1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccc1[N+](=O)[O-] ZINC000522439415 1011013145 /nfs/dbraw/zinc/01/31/45/1011013145.db2.gz SONTZPUQRWEDKI-UHFFFAOYSA-N 0 2 407.448 3.890 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000536200295 1011344529 /nfs/dbraw/zinc/34/45/29/1011344529.db2.gz ZTWOZIWZCVRYQU-UHFFFAOYSA-N 0 2 417.780 3.995 20 5 HHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2cccc(Br)c2)c1 ZINC000536219712 1011368118 /nfs/dbraw/zinc/36/81/18/1011368118.db2.gz IVIFWTBMNODFRO-UHFFFAOYSA-N 0 2 403.192 3.501 20 5 HHBDLN Cn1c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2[nH+]c1C1CC1 ZINC000536304151 1011495799 /nfs/dbraw/zinc/49/57/99/1011495799.db2.gz UCLFIPVYDHYBBO-UHFFFAOYSA-N 0 2 406.851 3.813 20 5 HHBDLN Cc1c(NS(=O)(=O)c2cc(Br)c(F)cc2F)cccc1[N+](=O)[O-] ZINC000536703300 1011873901 /nfs/dbraw/zinc/87/39/01/1011873901.db2.gz WCHUCIXLYHSGCA-UHFFFAOYSA-N 0 2 407.192 3.745 20 5 HHBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc[nH]1 ZINC000760275455 1071818325 /nfs/dbraw/zinc/81/83/25/1071818325.db2.gz YZGWBKQBAHBAQI-ZDUSSCGKSA-N 0 2 416.459 3.905 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)c1F ZINC000760354642 1072273259 /nfs/dbraw/zinc/27/32/59/1072273259.db2.gz BKCTZEKMJOSHAV-UHFFFAOYSA-N 0 2 417.422 3.506 20 5 HHBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1C ZINC000590526289 1073902889 /nfs/dbraw/zinc/90/28/89/1073902889.db2.gz TYHPNPLGYGSRAJ-GFCCVEGCSA-N 0 2 424.548 3.701 20 5 HHBDLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1C ZINC000590598348 1073933737 /nfs/dbraw/zinc/93/37/37/1073933737.db2.gz SIAGOBVIRGVWHF-UHFFFAOYSA-N 0 2 409.439 3.890 20 5 HHBDLN