smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000436149807 861448988 /nfs/dbraw/zinc/44/89/88/861448988.db2.gz FCLGNCFLQDXFBN-UHFFFAOYSA-N -1 3 405.259 4.490 20 5 HIBDHM Cc1c(CO)cc([N+](=O)[O-])c([N-][C@H](c2cccc(F)c2)c2ccccn2)c1[N+](=O)[O-] ZINC000301889129 854485257 /nfs/dbraw/zinc/48/52/57/854485257.db2.gz NGYOVQADKUMWPL-GOSISDBHSA-N -1 3 412.377 4.039 20 5 HIBDHM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Br ZINC000316584264 855380149 /nfs/dbraw/zinc/38/01/49/855380149.db2.gz DFQAVNAAGCCZQL-UHFFFAOYSA-N -1 3 405.657 4.120 20 5 HIBDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426765068 856464850 /nfs/dbraw/zinc/46/48/50/856464850.db2.gz JWQHXMPRALQKBZ-QFIPXVFZSA-N -1 3 422.437 4.098 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2Oc2ccc(C)cc2OC)n1 ZINC000427603988 856884912 /nfs/dbraw/zinc/88/49/12/856884912.db2.gz MRQNLSDFMXOALY-UHFFFAOYSA-N -1 3 414.393 4.312 20 5 HIBDHM Cc1c([N-]C(=O)c2c(F)c(F)cc(F)c2F)cc(Br)cc1[N+](=O)[O-] ZINC000431262338 858537583 /nfs/dbraw/zinc/53/75/83/858537583.db2.gz GERKKHNVJIEOMD-UHFFFAOYSA-N -1 3 407.117 4.474 20 5 HIBDHM O=C([N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-])c1ncn(-c2ccccc2)n1 ZINC000446427664 870343621 /nfs/dbraw/zinc/34/36/21/870343621.db2.gz IRYAGTZUKQWLQS-UHFFFAOYSA-N -1 3 415.409 4.007 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c(C(F)(F)F)c1 ZINC000466517443 880292231 /nfs/dbraw/zinc/29/22/31/880292231.db2.gz IWNPKQCAGWNHGO-GFCCVEGCSA-N -1 3 406.407 4.031 20 5 HIBDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000476137395 891061104 /nfs/dbraw/zinc/06/11/04/891061104.db2.gz FLINCUSUZVKMSL-UHFFFAOYSA-N -1 3 409.364 4.174 20 5 HIBDHM O=C([N-]c1cc(F)ccc1OC(F)F)c1sc(Br)cc1[N+](=O)[O-] ZINC000486331952 901508757 /nfs/dbraw/zinc/50/87/57/901508757.db2.gz DZUYLLHDUBMFBV-UHFFFAOYSA-N -1 3 411.155 4.412 20 5 HIBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1nc(C(F)(F)F)cs1 ZINC000493899217 905254032 /nfs/dbraw/zinc/25/40/32/905254032.db2.gz CCFWOSLRSBIINS-JTQLQIEISA-N -1 3 423.438 4.117 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)Cc3ccoc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000497626293 907106245 /nfs/dbraw/zinc/10/62/45/907106245.db2.gz AXEMKPNDOBUOBP-UHFFFAOYSA-N -1 3 415.471 4.242 20 5 HIBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cc1C ZINC000497776755 907269804 /nfs/dbraw/zinc/26/98/04/907269804.db2.gz VBKUWFJIVIAAMU-AWEZNQCLSA-N -1 3 402.394 4.184 20 5 HIBDHM COc1ccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)cc1[N+](=O)[O-] ZINC000498598270 908047040 /nfs/dbraw/zinc/04/70/40/908047040.db2.gz KQCTWNIMOHWNIW-UHFFFAOYSA-N -1 3 408.486 4.061 20 5 HIBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000500533677 909911854 /nfs/dbraw/zinc/91/18/54/909911854.db2.gz UIMRINULZFFTOD-NSHDSACASA-N -1 3 423.903 4.411 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CCC(C(F)(F)F)(CC2)CC3)c(Cl)c1 ZINC000508087759 916905977 /nfs/dbraw/zinc/90/59/77/916905977.db2.gz XQRDMZMGHKZITR-UHFFFAOYSA-N -1 3 412.817 4.182 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000509701507 918332529 /nfs/dbraw/zinc/33/25/29/918332529.db2.gz WTLCEBLZGPZYOE-SMDDNHRTSA-N -1 3 420.796 4.101 20 5 HIBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000509730293 918354098 /nfs/dbraw/zinc/35/40/98/918354098.db2.gz MJVPOXDUBFKJSI-YPMHNXCESA-N -1 3 420.796 4.101 20 5 HIBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000515632291 923231982 /nfs/dbraw/zinc/23/19/82/923231982.db2.gz UMYFRMORWKDALY-UHFFFAOYSA-N -1 3 412.402 4.078 20 5 HIBDHM CC[C@@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000518399846 927240631 /nfs/dbraw/zinc/24/06/31/927240631.db2.gz ORRRFDAGMQNLIO-MRXNPFEDSA-N -1 3 403.504 4.391 20 5 HIBDHM Cc1ncc([N+](=O)[O-])n1Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[n-]1 ZINC000537426560 933771729 /nfs/dbraw/zinc/77/17/29/933771729.db2.gz GSKMQZDAMNEEDL-UHFFFAOYSA-N -1 3 401.835 4.179 20 5 HIBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000573875831 948316946 /nfs/dbraw/zinc/31/69/46/948316946.db2.gz YSCNJVNECBBRAG-UHFFFAOYSA-N -1 3 408.505 4.093 20 5 HIBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000004808425 845068211 /nfs/dbraw/zinc/06/82/11/845068211.db2.gz LKAMEWYKJNRKGF-MRVPVSSYSA-N -1 3 407.835 4.081 20 5 HIBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010316192 845644494 /nfs/dbraw/zinc/64/44/94/845644494.db2.gz KRZVTZGWKQJEMU-UHFFFAOYSA-N -1 3 419.463 4.368 20 5 HIBDHM Cc1ccc(-c2nc(C(=O)[N-]c3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)cc1 ZINC000010965660 845733376 /nfs/dbraw/zinc/73/33/76/845733376.db2.gz OFDAAHYQKKQHKF-UHFFFAOYSA-N -1 3 411.439 4.440 20 5 HIBDHM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000016196742 846137194 /nfs/dbraw/zinc/13/71/94/846137194.db2.gz MMUUYOOTZSXVAP-SECBINFHSA-N -1 3 419.484 4.150 20 5 HIBDHM COc1ccc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000057561518 850668683 /nfs/dbraw/zinc/66/86/83/850668683.db2.gz PBGSWKNBQHAEOL-UHFFFAOYSA-N -1 3 415.409 4.103 20 5 HIBDHM COc1ccc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000058549844 850853044 /nfs/dbraw/zinc/85/30/44/850853044.db2.gz IJMVCZAKLUZQPD-UHFFFAOYSA-N -1 3 421.438 4.165 20 5 HIBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc(-c2ccccc2F)n1 ZINC000064782796 851983764 /nfs/dbraw/zinc/98/37/64/851983764.db2.gz MRZYOXSQKSXMHD-UHFFFAOYSA-N -1 3 415.402 4.271 20 5 HIBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301803511 854468637 /nfs/dbraw/zinc/46/86/37/854468637.db2.gz UTKXHOGYRVBXEY-UHFFFAOYSA-N -1 3 411.792 4.087 20 5 HIBDHM Cc1cc(C)cc(C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426819349 856496154 /nfs/dbraw/zinc/49/61/54/856496154.db2.gz VNNDLXFMAVZIPH-IBGZPJMESA-N -1 3 411.483 4.121 20 5 HIBDHM CCOC(=O)c1c([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])sc(C)c1C[C@@H](C)CC ZINC000427122004 856652025 /nfs/dbraw/zinc/65/20/25/856652025.db2.gz NSCZLDWAZRCCQB-NSHDSACASA-N -1 3 422.507 4.199 20 5 HIBDHM Cc1ccc([C@H]2OCCC[C@@H]2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732133 863061035 /nfs/dbraw/zinc/06/10/35/863061035.db2.gz YYDUDPKFRNPZEG-DNVCBOLYSA-N -1 3 424.906 4.003 20 5 HIBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432326383 859104711 /nfs/dbraw/zinc/10/47/11/859104711.db2.gz PAWOISABOMYHFA-UHFFFAOYSA-N -1 3 410.257 4.462 20 5 HIBDHM O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439205608 864629630 /nfs/dbraw/zinc/62/96/30/864629630.db2.gz WPUZARKGRALULI-UHFFFAOYSA-N -1 3 420.303 4.154 20 5 HIBDHM O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445266115 869314776 /nfs/dbraw/zinc/31/47/76/869314776.db2.gz WIHOCPVBMZNCLR-UHFFFAOYSA-N -1 3 421.416 4.465 20 5 HIBDHM O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445266115 869314782 /nfs/dbraw/zinc/31/47/82/869314782.db2.gz WIHOCPVBMZNCLR-UHFFFAOYSA-N -1 3 421.416 4.465 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)c(C(F)(F)F)c1 ZINC000466517444 880292110 /nfs/dbraw/zinc/29/21/10/880292110.db2.gz IWNPKQCAGWNHGO-LBPRGKRZSA-N -1 3 406.407 4.031 20 5 HIBDHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1nc(C(F)(F)F)cs1 ZINC000466860055 880629810 /nfs/dbraw/zinc/62/98/10/880629810.db2.gz VVLDQTVZZRQIBQ-NSHDSACASA-N -1 3 423.438 4.117 20 5 HIBDHM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1Br ZINC000469205797 883305916 /nfs/dbraw/zinc/30/59/16/883305916.db2.gz RETNCHAKIDDGOQ-UHFFFAOYSA-N -1 3 422.260 4.015 20 5 HIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000504092423 913002018 /nfs/dbraw/zinc/00/20/18/913002018.db2.gz NKSBPXHPKKKSRF-UHFFFAOYSA-N -1 3 424.482 4.408 20 5 HIBDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000474820862 889674930 /nfs/dbraw/zinc/67/49/30/889674930.db2.gz IGPACSLIOTYLCI-UHFFFAOYSA-N -1 3 412.427 4.165 20 5 HIBDHM COCCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000480628730 895996829 /nfs/dbraw/zinc/99/68/29/895996829.db2.gz APYXZHFSVPRWTK-MRXNPFEDSA-N -1 3 412.895 4.085 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000500342487 909800874 /nfs/dbraw/zinc/80/08/74/909800874.db2.gz FMMMWKDLCHHRPJ-CYBMUJFWSA-N -1 3 424.482 4.439 20 5 HIBDHM Cc1ccc(-c2nc(C(=O)[N-]c3cc4c(cc3[N+](=O)[O-])OCCCO4)cs2)o1 ZINC000512246085 921004585 /nfs/dbraw/zinc/00/45/85/921004585.db2.gz XPDMORLOHKOSJS-UHFFFAOYSA-N -1 3 401.400 4.033 20 5 HIBDHM CCOCCCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000515498008 923135364 /nfs/dbraw/zinc/13/53/64/923135364.db2.gz GHWCXTYCBCLORM-UHFFFAOYSA-N -1 3 421.519 4.241 20 5 HIBDHM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000516358094 923687345 /nfs/dbraw/zinc/68/73/45/923687345.db2.gz AKWJNSXHOPQKCK-UHFFFAOYSA-N -1 3 417.306 4.270 20 5 HIBDHM COc1cc(CNc2ccc(C(=O)N3CCCCC3)c(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000559998486 944121306 /nfs/dbraw/zinc/12/13/06/944121306.db2.gz VFYRWSLSKZBFPQ-UHFFFAOYSA-N -1 3 419.865 4.201 20 5 HIBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc(=O)c2c1C ZINC000005355705 845105609 /nfs/dbraw/zinc/10/56/09/845105609.db2.gz LOTJKBMYXXKARM-MRVPVSSYSA-N -1 3 407.835 4.081 20 5 HIBDHM Cc1cccc(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000006219252 845184326 /nfs/dbraw/zinc/18/43/26/845184326.db2.gz ORDVYGKDUWSDIN-UHFFFAOYSA-N -1 3 404.448 4.438 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015206153 846018535 /nfs/dbraw/zinc/01/85/35/846018535.db2.gz BLZMLWGRFNXPCD-UHFFFAOYSA-N -1 3 412.471 4.020 20 5 HIBDHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000023660409 846737584 /nfs/dbraw/zinc/73/75/84/846737584.db2.gz RZZGNHALXRKVGK-UHFFFAOYSA-N -1 3 419.260 4.052 20 5 HIBDHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000023779089 846749149 /nfs/dbraw/zinc/74/91/49/846749149.db2.gz UUZKXRFHVARVTM-WDZFZDKYSA-N -1 3 419.846 4.445 20 5 HIBDHM COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000028659991 847441882 /nfs/dbraw/zinc/44/18/82/847441882.db2.gz HHYNBKVWAWQGCF-OAQYLSRUSA-N -1 3 421.409 4.089 20 5 HIBDHM Cc1nc(-c2ccccc2)sc1[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000053701271 849746803 /nfs/dbraw/zinc/74/68/03/849746803.db2.gz YSTKZTJCQWMZLV-ZDUSSCGKSA-N -1 3 403.485 4.066 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301507918 854409770 /nfs/dbraw/zinc/40/97/70/854409770.db2.gz CAVAWXBBCCWVHQ-OAHLLOKOSA-N -1 3 421.544 4.320 20 5 HIBDHM Cc1cccc([C@@H]([N-]c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000301856153 854476768 /nfs/dbraw/zinc/47/67/68/854476768.db2.gz BZUYYBWWTLMNRK-LJQANCHMSA-N -1 3 408.414 4.209 20 5 HIBDHM O=C(NCc1ccc([O-])c(Br)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444243103 868692578 /nfs/dbraw/zinc/69/25/78/868692578.db2.gz UMKZUXVUQJEKON-UHFFFAOYSA-N -1 3 423.266 4.079 20 5 HIBDHM COc1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c2cccnc12 ZINC000446099418 870047241 /nfs/dbraw/zinc/04/72/41/870047241.db2.gz JEIQTDPQMFVTNE-UHFFFAOYSA-N -1 3 408.233 4.228 20 5 HIBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(COc2ccccc2F)on1 ZINC000464436715 877649616 /nfs/dbraw/zinc/64/96/16/877649616.db2.gz LELIKXJFAGJCFQ-UHFFFAOYSA-N -1 3 423.303 4.155 20 5 HIBDHM O=C(Nc1cccnc1Oc1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000473415139 888133959 /nfs/dbraw/zinc/13/39/59/888133959.db2.gz VCSLDTHBEITHLZ-UHFFFAOYSA-N -1 3 421.196 4.442 20 5 HIBDHM COC(=O)c1cc(F)cc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1F ZINC000478091254 893254793 /nfs/dbraw/zinc/25/47/93/893254793.db2.gz ZCOYUZWCUJOCJX-UHFFFAOYSA-N -1 3 419.365 4.035 20 5 HIBDHM COc1cc(CNCc2nc(-c3cc4ccccc4o3)cs2)c([N+](=O)[O-])cc1[O-] ZINC000479392472 894695694 /nfs/dbraw/zinc/69/56/94/894695694.db2.gz LSWBJLSVQVXZSZ-UHFFFAOYSA-N -1 3 411.439 4.469 20 5 HIBDHM COc1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cc([N+](=O)[O-])c1C ZINC000480177161 895568956 /nfs/dbraw/zinc/56/89/56/895568956.db2.gz FSXWGHZWPCUVNH-UHFFFAOYSA-N -1 3 402.457 4.167 20 5 HIBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485133522 900434558 /nfs/dbraw/zinc/43/45/58/900434558.db2.gz NAXBKSMEPBXBQO-NSHDSACASA-N -1 3 409.427 4.245 20 5 HIBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1nc2cccnc2s1 ZINC000485728613 900979915 /nfs/dbraw/zinc/97/99/15/900979915.db2.gz AFUFXRCZZOTYNF-UHFFFAOYSA-N -1 3 404.407 4.083 20 5 HIBDHM Cc1ccccc1-c1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC000490368056 903960934 /nfs/dbraw/zinc/96/09/34/903960934.db2.gz NFPOWTIGQXSKMA-UHFFFAOYSA-N -1 3 406.427 4.064 20 5 HIBDHM 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Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)cc1 ZINC000480634610 896004780 /nfs/dbraw/zinc/00/47/80/896004780.db2.gz UTOLSTDLLVLWJM-LJQANCHMSA-N -1 3 417.874 4.020 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccccc3F)s2)c(C)c([N+](=O)[O-])c1 ZINC000485981620 901200467 /nfs/dbraw/zinc/20/04/67/901200467.db2.gz RISMWGNMMDVINA-UHFFFAOYSA-N -1 3 415.402 4.205 20 5 HIBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(-c2ccsc2)s1 ZINC000487000594 902008570 /nfs/dbraw/zinc/00/85/70/902008570.db2.gz XJJUGDMNKQWOJR-UHFFFAOYSA-N -1 3 403.441 4.193 20 5 HIBDHM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000490371139 903964735 /nfs/dbraw/zinc/96/47/35/903964735.db2.gz QUVGFASNPHZTKQ-ONEGZZNKSA-N -1 3 421.232 4.225 20 5 HIBDHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000490373361 903967048 /nfs/dbraw/zinc/96/70/48/903967048.db2.gz SHHJZGPTRZMCKI-ARJAWSKDSA-N -1 3 410.333 4.481 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)c2)n1 ZINC000500353612 909808144 /nfs/dbraw/zinc/80/81/44/909808144.db2.gz YGGUSWAYJDUUTI-UHFFFAOYSA-N -1 3 410.455 4.294 20 5 HIBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1[N+](=O)[O-] ZINC000509388671 918054871 /nfs/dbraw/zinc/05/48/71/918054871.db2.gz RAEJCXJIFQJVAM-UHFFFAOYSA-N -1 3 410.757 4.098 20 5 HIBDHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)oc21 ZINC000511046354 919636358 /nfs/dbraw/zinc/63/63/58/919636358.db2.gz LXGGREUBLIDFNO-NSHDSACASA-N -1 3 424.862 4.433 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3C4CCC3CC4)c([N+](=O)[O-])c2)c(C)c1 ZINC000514981282 922865101 /nfs/dbraw/zinc/86/51/01/922865101.db2.gz OYOOYGUKPGIVRO-UHFFFAOYSA-N -1 3 401.488 4.144 20 5 HIBDHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000517665184 926771293 /nfs/dbraw/zinc/77/12/93/926771293.db2.gz VMUGTVMJCJXTJX-UHFFFAOYSA-N -1 3 405.233 4.128 20 5 HIBDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc([N+](=O)[O-])ccc3SC(C)C)nc21 ZINC000539328705 938842562 /nfs/dbraw/zinc/84/25/62/938842562.db2.gz YYYWMGSQTOXBNL-UHFFFAOYSA-N -1 3 414.443 4.011 20 5 HIBDHM O=C(CCSc1nnc([N-]c2ccccc2F)s1)Nc1ccccc1[N+](=O)[O-] ZINC000026361745 847133534 /nfs/dbraw/zinc/13/35/34/847133534.db2.gz ZIZJMPCTIDBLRP-UHFFFAOYSA-N -1 3 419.463 4.450 20 5 HIBDHM CC(C)(C)Oc1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000436943924 862123248 /nfs/dbraw/zinc/12/32/48/862123248.db2.gz NTZMZNMSSLZECG-UHFFFAOYSA-N -1 3 413.474 4.194 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCOC(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000057364329 850616236 /nfs/dbraw/zinc/61/62/36/850616236.db2.gz YQCNBMOFPXNSIF-UHFFFAOYSA-N -1 3 421.519 4.239 20 5 HIBDHM CSC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301349498 854367355 /nfs/dbraw/zinc/36/73/55/854367355.db2.gz VEIPWTWJCMFHIU-CQSZACIVSA-N -1 3 409.533 4.176 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)c2ccccc2)CCCC3)n1 ZINC000427201028 856708934 /nfs/dbraw/zinc/70/89/34/856708934.db2.gz VPTPDWHPLBKEPX-UHFFFAOYSA-N -1 3 424.482 4.235 20 5 HIBDHM O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432471184 859180477 /nfs/dbraw/zinc/18/04/77/859180477.db2.gz XEEVMPAOLJCQLN-UHFFFAOYSA-N -1 3 401.382 4.005 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c(C(F)(F)F)c1 ZINC000446948692 870856816 /nfs/dbraw/zinc/85/68/16/870856816.db2.gz PZOQAJHMCSLRSB-ZDUSSCGKSA-N -1 3 418.418 4.129 20 5 HIBDHM CO[C@H](CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)C ZINC000467018087 880820985 /nfs/dbraw/zinc/82/09/85/880820985.db2.gz DFZZHRNKRZGCLY-HXUWFJFHSA-N -1 3 421.519 4.095 20 5 HIBDHM O=C(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000476476266 891387423 /nfs/dbraw/zinc/38/74/23/891387423.db2.gz MBHYPDHYDDUJLN-UHFFFAOYSA-N -1 3 405.197 4.317 20 5 HIBDHM COc1c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)cccc1[N+](=O)[O-] ZINC000477162560 892084937 /nfs/dbraw/zinc/08/49/37/892084937.db2.gz KFDPQGXGMSOUOR-UHFFFAOYSA-N -1 3 408.798 4.167 20 5 HIBDHM Cc1nc(-c2ccccc2)sc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512758574 921302412 /nfs/dbraw/zinc/30/24/12/921302412.db2.gz HXCDSLPLDHNDTI-LLVKDONJSA-N -1 3 409.514 4.128 20 5 HIBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1 ZINC000499246189 908615893 /nfs/dbraw/zinc/61/58/93/908615893.db2.gz BJQFMSFLYBEJIB-UHFFFAOYSA-N -1 3 414.853 4.113 20 5 HIBDHM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1 ZINC000499246189 908615904 /nfs/dbraw/zinc/61/59/04/908615904.db2.gz BJQFMSFLYBEJIB-UHFFFAOYSA-N -1 3 414.853 4.113 20 5 HIBDHM O=C([N-]c1nncn1-c1ccccc1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000512042225 920812753 /nfs/dbraw/zinc/81/27/53/920812753.db2.gz POPBDFFPJXHQMY-UHFFFAOYSA-N -1 3 415.409 4.007 20 5 HIBDHM COc1cc(CNc2cccc(COc3ccc4c(c3)OCO4)c2)c([N+](=O)[O-])cc1[O-] ZINC000532890176 931681703 /nfs/dbraw/zinc/68/17/03/931681703.db2.gz JBZJGIVSDSKCNY-UHFFFAOYSA-N -1 3 424.409 4.229 20 5 HIBDHM O=C(Nc1cc(Br)ccc1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000532900532 931685353 /nfs/dbraw/zinc/68/53/53/931685353.db2.gz SOXQUUOYCPFJEG-UHFFFAOYSA-N -1 3 416.025 4.078 20 5 HIBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)[n-]n1 ZINC000543567415 940112537 /nfs/dbraw/zinc/11/25/37/940112537.db2.gz OEKPBUYCBADXJO-UHFFFAOYSA-N -1 3 418.475 4.029 20 5 HIBDHM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[n-]1 ZINC000543567415 940112540 /nfs/dbraw/zinc/11/25/40/940112540.db2.gz OEKPBUYCBADXJO-UHFFFAOYSA-N -1 3 418.475 4.029 20 5 HIBDHM COc1cc(CNc2ncc(Cc3ccc(F)c(F)c3)s2)c([N+](=O)[O-])cc1[O-] ZINC000544666724 940500571 /nfs/dbraw/zinc/50/05/71/940500571.db2.gz RECORQZJOJJYNK-UHFFFAOYSA-N -1 3 407.398 4.247 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000545121614 940544809 /nfs/dbraw/zinc/54/48/09/940544809.db2.gz NMMQGPXQYFILGP-UHFFFAOYSA-N -1 3 424.432 4.375 20 5 HIBDHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C ZINC000558057448 943368986 /nfs/dbraw/zinc/36/89/86/943368986.db2.gz XXXUEZRUYSLMNX-UHFFFAOYSA-N -1 3 424.784 4.385 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3(C)C)c([N+](=O)[O-])c2)c(C)c1 ZINC000570192512 947131574 /nfs/dbraw/zinc/13/15/74/947131574.db2.gz ANXNGEFKKXZOHT-UHFFFAOYSA-N -1 3 403.504 4.391 20 5 HIBDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011809547 845834360 /nfs/dbraw/zinc/83/43/60/845834360.db2.gz JYEQLLMVGRQONN-ZCFIWIBFSA-N -1 3 406.609 4.067 20 5 HIBDHM Cc1nn(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)c(C)c1[N+](=O)[O-] ZINC000022986423 846645684 /nfs/dbraw/zinc/64/56/84/846645684.db2.gz IABYDXOJNSBNEX-UHFFFAOYSA-N -1 3 415.862 4.075 20 5 HIBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000028327958 847406100 /nfs/dbraw/zinc/40/61/00/847406100.db2.gz AATUXMWIZUUBLY-VIFPVBQESA-N -1 3 408.785 4.307 20 5 HIBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436612076 861869609 /nfs/dbraw/zinc/86/96/09/861869609.db2.gz ZLHDBDQHRHQJOP-OAQYLSRUSA-N -1 3 419.437 4.109 20 5 HIBDHM O=C(c1ccccc1[O-])N1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000436661889 861886532 /nfs/dbraw/zinc/88/65/32/861886532.db2.gz XLUZIUPMADVKGR-UHFFFAOYSA-N -1 3 409.364 4.036 20 5 HIBDHM CCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c([O-])c1 ZINC000436865775 862043887 /nfs/dbraw/zinc/04/38/87/862043887.db2.gz VJFBOMJKCKDKHI-UHFFFAOYSA-N -1 3 404.220 4.266 20 5 HIBDHM Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)c([O-])c1C ZINC000436937538 862114372 /nfs/dbraw/zinc/11/43/72/862114372.db2.gz FOLXRNLBXMCQEJ-UHFFFAOYSA-N -1 3 404.220 4.321 20 5 HIBDHM CN(c1ccccc1)c1ccc(CNCc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000426680035 856409294 /nfs/dbraw/zinc/40/92/94/856409294.db2.gz ZDZDIHOTWULPCQ-UHFFFAOYSA-N -1 3 405.454 4.280 20 5 HIBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000438815701 864306975 /nfs/dbraw/zinc/30/69/75/864306975.db2.gz TZWYSMZPOKHLSR-UHFFFAOYSA-N -1 3 423.647 4.259 20 5 HIBDHM COc1ccc(Sc2nsc([N-]C(=O)c3cc(C)ccc3[N+](=O)[O-])n2)cc1 ZINC000439760106 865086834 /nfs/dbraw/zinc/08/68/34/865086834.db2.gz NECFBOLTCXQASV-UHFFFAOYSA-N -1 3 402.457 4.167 20 5 HIBDHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN([C@@H](C)C(C)C)C3)cc1[N+](=O)[O-] ZINC000462381366 875493491 /nfs/dbraw/zinc/49/34/91/875493491.db2.gz VFVSKUDYVXVZGD-HNNXBMFYSA-N -1 3 403.504 4.064 20 5 HIBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)c(Br)cc1F ZINC000471060159 885574792 /nfs/dbraw/zinc/57/47/92/885574792.db2.gz VXTCTJANHJDBIJ-UHFFFAOYSA-N -1 3 401.163 4.287 20 5 HIBDHM O=[N+]([O-])c1ccc2[nH]c(CSc3nnc([N-]c4ccccc4F)s3)nc2c1 ZINC000473783074 888589163 /nfs/dbraw/zinc/58/91/63/888589163.db2.gz CUYKNDMCMDWTDU-UHFFFAOYSA-N -1 3 402.436 4.498 20 5 HIBDHM COc1cc(CNc2nc(-c3ccccc3)c(NC(C)=O)s2)c([N+](=O)[O-])cc1[O-] ZINC000478627312 893883798 /nfs/dbraw/zinc/88/37/98/893883798.db2.gz BZCFSAQKWAMVTC-UHFFFAOYSA-N -1 3 414.443 4.003 20 5 HIBDHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)cc(=O)[n-]1 ZINC000480128669 895504330 /nfs/dbraw/zinc/50/43/30/895504330.db2.gz VPSNSHKZTWFUSH-UHFFFAOYSA-N -1 3 419.441 4.262 20 5 HIBDHM O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484532066 900018678 /nfs/dbraw/zinc/01/86/78/900018678.db2.gz OVIQCWIJVURRID-UHFFFAOYSA-N -1 3 424.360 4.014 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2ncoc2-c2ccccc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000489751711 903579261 /nfs/dbraw/zinc/57/92/61/903579261.db2.gz INQUKMNLSRVLGY-UHFFFAOYSA-N -1 3 415.789 4.251 20 5 HIBDHM O=C([N-]c1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000490607177 904132588 /nfs/dbraw/zinc/13/25/88/904132588.db2.gz LOLPBSFJXMGWOK-UHFFFAOYSA-N -1 3 411.727 4.304 20 5 HIBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000491951389 904739439 /nfs/dbraw/zinc/73/94/39/904739439.db2.gz BJTUGLHWRLAZBG-UHFFFAOYSA-N -1 3 424.284 4.458 20 5 HIBDHM COc1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000506244228 914860653 /nfs/dbraw/zinc/86/06/53/914860653.db2.gz VIORZAVLRHTPMB-UHFFFAOYSA-N -1 3 410.373 4.460 20 5 HIBDHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000494317295 905632169 /nfs/dbraw/zinc/63/21/69/905632169.db2.gz VYCKBKLLBGIGLZ-MRVPVSSYSA-N -1 3 408.320 4.013 20 5 HIBDHM O=C([N-]c1nnc(-c2ccccc2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000496374512 906669669 /nfs/dbraw/zinc/66/96/69/906669669.db2.gz DMFAPCYUGSSSPB-UHFFFAOYSA-N -1 3 409.452 4.489 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3ccc(F)c(F)c3)n2)cc([N+](=O)[O-])c1 ZINC000503155210 912120689 /nfs/dbraw/zinc/12/06/89/912120689.db2.gz YTBKSPVRPFFGEO-UHFFFAOYSA-N -1 3 419.365 4.035 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)c(Cl)c1 ZINC000520028571 928250951 /nfs/dbraw/zinc/25/09/51/928250951.db2.gz KXDSNKAZXGFMCL-CYBMUJFWSA-N -1 3 419.311 4.417 20 5 HIBDHM Cc1ncc(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC000544179020 940345249 /nfs/dbraw/zinc/34/52/49/940345249.db2.gz VHWKPMRGCSDYJK-UHFFFAOYSA-N -1 3 400.822 4.134 20 5 HIBDHM CC(=O)c1cccc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)c1[O-] ZINC000564307623 945508608 /nfs/dbraw/zinc/50/86/08/945508608.db2.gz OCNNNZJDLQVBFO-UHFFFAOYSA-N -1 3 408.360 4.120 20 5 HIBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(Br)cc3nc(C)oc32)c1 ZINC000569011133 946795636 /nfs/dbraw/zinc/79/56/36/946795636.db2.gz YJQSRAZIIQACAE-UHFFFAOYSA-N -1 3 420.219 4.458 20 5 HIBDHM CCOc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)C)cc1OCC ZINC000016735568 846203869 /nfs/dbraw/zinc/20/38/69/846203869.db2.gz QYJDQFRBMSKUQY-FQEVSTJZSA-N -1 3 422.503 4.068 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)c(C)c1 ZINC000068838801 852373655 /nfs/dbraw/zinc/37/36/55/852373655.db2.gz AARPZAPXSMJHIK-UHFFFAOYSA-N -1 3 401.444 4.218 20 5 HIBDHM CCOc1cccc2cc([C@H](C)[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])oc21 ZINC000108393023 852845839 /nfs/dbraw/zinc/84/58/39/852845839.db2.gz SLYBHTNFYCHLMV-ZDUSSCGKSA-N -1 3 404.444 4.088 20 5 HIBDHM O=[N+]([O-])c1ccc(CNCc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000225631786 853880371 /nfs/dbraw/zinc/88/03/71/853880371.db2.gz IVEACUVEHFCVJH-UHFFFAOYSA-N -1 3 416.069 4.115 20 5 HIBDHM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000426816869 856495129 /nfs/dbraw/zinc/49/51/29/856495129.db2.gz MOKNCFUULFIXBI-KRWDZBQOSA-N -1 3 407.264 4.396 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3C(F)(F)F)cs2)n1 ZINC000427596891 856882881 /nfs/dbraw/zinc/88/28/81/856882881.db2.gz ONUVRFLGTCCOQC-UHFFFAOYSA-N -1 3 411.365 4.206 20 5 HIBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442308495 867319480 /nfs/dbraw/zinc/31/94/80/867319480.db2.gz UQISESQWKFPTJI-UHFFFAOYSA-N -1 3 409.349 4.135 20 5 HIBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442308495 867319493 /nfs/dbraw/zinc/31/94/93/867319493.db2.gz UQISESQWKFPTJI-UHFFFAOYSA-N -1 3 409.349 4.135 20 5 HIBDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000442929479 867745529 /nfs/dbraw/zinc/74/55/29/867745529.db2.gz YIVMYCVYZYASIE-UHFFFAOYSA-N -1 3 421.125 4.214 20 5 HIBDHM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443991046 868514370 /nfs/dbraw/zinc/51/43/70/868514370.db2.gz VDVXIQKBAVVTKM-CQSZACIVSA-N -1 3 406.357 4.014 20 5 HIBDHM O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444955798 869127566 /nfs/dbraw/zinc/12/75/66/869127566.db2.gz AAEVXCAHIIAZAP-UHFFFAOYSA-N -1 3 404.304 4.029 20 5 HIBDHM COc1cc(OC)c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000445254329 869308684 /nfs/dbraw/zinc/30/86/84/869308684.db2.gz YYBHSECQHPCXAB-UHFFFAOYSA-N -1 3 421.656 4.342 20 5 HIBDHM Cc1ccc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)cc1[N+](=O)[O-] ZINC000462106993 875212863 /nfs/dbraw/zinc/21/28/63/875212863.db2.gz GMGYYSHWLUBPIQ-UHFFFAOYSA-N -1 3 407.411 4.329 20 5 HIBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[N+](=O)[O-] ZINC000467064238 880848755 /nfs/dbraw/zinc/84/87/55/880848755.db2.gz MUKOQEAPFSRZEP-KRWDZBQOSA-N -1 3 423.903 4.081 20 5 HIBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)s1 ZINC000469878222 884068576 /nfs/dbraw/zinc/06/85/76/884068576.db2.gz CXIUOBHPJCXHEO-UHFFFAOYSA-N -1 3 409.402 4.361 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC34CCC4)c([N+](=O)[O-])c2)c(C)c1 ZINC000480391433 895798139 /nfs/dbraw/zinc/79/81/39/895798139.db2.gz AWAQUDYMHDARSD-UHFFFAOYSA-N -1 3 401.488 4.145 20 5 HIBDHM CCN(CC)c1nc2sc(C(=O)[N-]c3ccc(OC)cc3[N+](=O)[O-])cc2s1 ZINC000512595354 921253998 /nfs/dbraw/zinc/25/39/98/921253998.db2.gz NVPPKZHPVOJETR-UHFFFAOYSA-N -1 3 406.489 4.373 20 5 HIBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])c4cccnc34)s2)cc1 ZINC000498304207 907830266 /nfs/dbraw/zinc/83/02/66/907830266.db2.gz NYRKVKVQPRULMU-UHFFFAOYSA-N -1 3 405.439 4.146 20 5 HIBDHM CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000513405153 921772327 /nfs/dbraw/zinc/77/23/27/921772327.db2.gz SKXCKAKXGOMJNA-UHFFFAOYSA-N -1 3 414.892 4.016 20 5 HIBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507896647 916755884 /nfs/dbraw/zinc/75/58/84/916755884.db2.gz XOCPRRKTFYJLQP-ZDUSSCGKSA-N -1 3 406.357 4.014 20 5 HIBDHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000509665126 918298251 /nfs/dbraw/zinc/29/82/51/918298251.db2.gz FBXDFVQAFOROJO-JTQLQIEISA-N -1 3 419.484 4.231 20 5 HIBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000509730290 918354369 /nfs/dbraw/zinc/35/43/69/918354369.db2.gz MJVPOXDUBFKJSI-AAEUAGOBSA-N -1 3 420.796 4.101 20 5 HIBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000520307570 928467798 /nfs/dbraw/zinc/46/77/98/928467798.db2.gz OJTQAYPHTGMXAZ-UHFFFAOYSA-N -1 3 413.858 4.097 20 5 HIBDHM Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000521687689 929367642 /nfs/dbraw/zinc/36/76/42/929367642.db2.gz DEBFZRIWKCPDSI-LBPRGKRZSA-N -1 3 423.541 4.436 20 5 HIBDHM CC(C)OC(=O)C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000525924164 930484488 /nfs/dbraw/zinc/48/44/88/930484488.db2.gz SMFKAZWLTUVXRT-LJQANCHMSA-N -1 3 422.437 4.266 20 5 HIBDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000531114701 930927290 /nfs/dbraw/zinc/92/72/90/930927290.db2.gz VILHMQNEEGLQEP-UHFFFAOYSA-N -1 3 405.126 4.334 20 5 HIBDHM COCCC(C)(C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000544705316 940504895 /nfs/dbraw/zinc/50/48/95/940504895.db2.gz YCYZRFKRXIGTTL-UHFFFAOYSA-N -1 3 421.519 4.239 20 5 HIBDHM COc1cc(CNc2ccc(C(=O)N3CCc4ccccc43)cc2)c([N+](=O)[O-])cc1[O-] ZINC000551582723 941507039 /nfs/dbraw/zinc/50/70/39/941507039.db2.gz BVHJVTKQXPCYAC-UHFFFAOYSA-N -1 3 419.437 4.124 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 ZINC000557334209 943074647 /nfs/dbraw/zinc/07/46/47/943074647.db2.gz MKLGEFLMJSGSPU-UHFFFAOYSA-N -1 3 420.796 4.235 20 5 HIBDHM O=[N+]([O-])c1cc(CSc2nnc([N-]c3ccccc3F)s2)c2c(c1)COCO2 ZINC000003531822 845035390 /nfs/dbraw/zinc/03/53/90/845035390.db2.gz SNLOQZBKWFSWNO-UHFFFAOYSA-N -1 3 420.447 4.488 20 5 HIBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000018707229 846338404 /nfs/dbraw/zinc/33/84/04/846338404.db2.gz FJXYAUZRUNDOFS-UHFFFAOYSA-N -1 3 423.647 4.259 20 5 HIBDHM COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000022018243 846521110 /nfs/dbraw/zinc/52/11/10/846521110.db2.gz JYNILCFHAWBWRS-OAQYLSRUSA-N -1 3 421.409 4.089 20 5 HIBDHM Cc1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000436714773 861902881 /nfs/dbraw/zinc/90/28/81/861902881.db2.gz VBJSWRTVIVUFRA-UHFFFAOYSA-N -1 3 423.391 4.344 20 5 HIBDHM COCCCCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000058554404 850854642 /nfs/dbraw/zinc/85/46/42/850854642.db2.gz ZPLGGLYJVRYIGX-UHFFFAOYSA-N -1 3 421.519 4.241 20 5 HIBDHM CCOc1cc([N-]C(=O)c2oc(Br)cc2C)c([N+](=O)[O-])cc1OCC ZINC000097403192 852608059 /nfs/dbraw/zinc/60/80/59/852608059.db2.gz HPBYNYKVHRPUPW-UHFFFAOYSA-N -1 3 413.224 4.308 20 5 HIBDHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3c(C)cccc3[N+](=O)[O-])oc21 ZINC000108393021 852846308 /nfs/dbraw/zinc/84/63/08/852846308.db2.gz SLYBHTNFYCHLMV-CYBMUJFWSA-N -1 3 404.444 4.088 20 5 HIBDHM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000218138913 853862135 /nfs/dbraw/zinc/86/21/35/853862135.db2.gz AGHRYJYAZOIOTC-UHFFFAOYSA-N -1 3 405.382 4.469 20 5 HIBDHM Cc1ccccc1C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426639762 856388546 /nfs/dbraw/zinc/38/85/46/856388546.db2.gz OTHZCVTYSWCKES-KRWDZBQOSA-N -1 3 411.483 4.060 20 5 HIBDHM CCOC(=O)c1c([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])sc(C)c1C[C@H](C)CC ZINC000427122003 856652114 /nfs/dbraw/zinc/65/21/14/856652114.db2.gz NSCZLDWAZRCCQB-LLVKDONJSA-N -1 3 422.507 4.199 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CC34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000427315050 856766729 /nfs/dbraw/zinc/76/67/29/856766729.db2.gz SLRTYVJUPOBVJT-UHFFFAOYSA-N -1 3 415.519 4.279 20 5 HIBDHM O=C([N-]c1nc2ccc(F)cn2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000443919571 868456408 /nfs/dbraw/zinc/45/64/08/868456408.db2.gz ABXNDAQWCZGSDI-UHFFFAOYSA-N -1 3 409.402 4.180 20 5 HIBDHM CCOc1ccc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)cc1[N+](=O)[O-] ZINC000443977638 868506240 /nfs/dbraw/zinc/50/62/40/868506240.db2.gz JCHOWDICSSFKKM-UHFFFAOYSA-N -1 3 416.484 4.486 20 5 HIBDHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000443981873 868507272 /nfs/dbraw/zinc/50/72/72/868507272.db2.gz GBYJVOGHXKBUPV-AWEZNQCLSA-N -1 3 402.394 4.184 20 5 HIBDHM Cc1cc(OCc2cccc(Cl)c2)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445193805 869269170 /nfs/dbraw/zinc/26/91/70/869269170.db2.gz XYVBDCNXQMKDSL-UHFFFAOYSA-N -1 3 413.817 4.489 20 5 HIBDHM O=[N+]([O-])c1cc(Br)ccc1SCc1noc(-c2ccccc2[O-])n1 ZINC000447353477 871258382 /nfs/dbraw/zinc/25/83/82/871258382.db2.gz FUTYOBITJNXKMX-UHFFFAOYSA-N -1 3 408.233 4.405 20 5 HIBDHM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000465610924 879108110 /nfs/dbraw/zinc/10/81/10/879108110.db2.gz YSNSHHSZWROJSD-UHFFFAOYSA-N -1 3 400.485 4.477 20 5 HIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000503634042 912735165 /nfs/dbraw/zinc/73/51/65/912735165.db2.gz AMHNVRJOVLBCHB-UHFFFAOYSA-N -1 3 414.443 4.012 20 5 HIBDHM COc1cc(CNc2ccc(N3CCCCC3)c3ncccc23)c([N+](=O)[O-])cc1[O-] ZINC000475359800 890286442 /nfs/dbraw/zinc/28/64/42/890286442.db2.gz YWOIXRUTWKUYAA-UHFFFAOYSA-N -1 3 408.458 4.460 20 5 HIBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1C ZINC000480950916 896293741 /nfs/dbraw/zinc/29/37/41/896293741.db2.gz MLTGYRZPNKFEQV-AWEZNQCLSA-N -1 3 402.394 4.184 20 5 HIBDHM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000484073310 899705496 /nfs/dbraw/zinc/70/54/96/899705496.db2.gz PPMREBXNPMLYHN-UHFFFAOYSA-N -1 3 409.398 4.160 20 5 HIBDHM O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484536314 900021182 /nfs/dbraw/zinc/02/11/82/900021182.db2.gz VXOWZIBZBKGSPJ-UHFFFAOYSA-N -1 3 406.423 4.148 20 5 HIBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485133521 900434916 /nfs/dbraw/zinc/43/49/16/900434916.db2.gz NAXBKSMEPBXBQO-LLVKDONJSA-N -1 3 409.427 4.245 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(SC)c3[N+](=O)[O-])c2)n1 ZINC000485768350 901024984 /nfs/dbraw/zinc/02/49/84/901024984.db2.gz RXADXNZEBMZQPB-UHFFFAOYSA-N -1 3 410.455 4.294 20 5 HIBDHM CCOc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000492262668 904824855 /nfs/dbraw/zinc/82/48/55/904824855.db2.gz YDNSSMCPXYZXHS-UHFFFAOYSA-N -1 3 423.454 4.120 20 5 HIBDHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000497984071 907462891 /nfs/dbraw/zinc/46/28/91/907462891.db2.gz XRNQBUROBGIDOU-UHFFFAOYSA-N -1 3 411.262 4.190 20 5 HIBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507921077 916800613 /nfs/dbraw/zinc/80/06/13/916800613.db2.gz OQLGKLJHRCGRFJ-ZDUSSCGKSA-N -1 3 406.357 4.014 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000509701504 918332240 /nfs/dbraw/zinc/33/22/40/918332240.db2.gz WTLCEBLZGPZYOE-FZMZJTMJSA-N -1 3 420.796 4.101 20 5 HIBDHM Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)c(C)c1[N+](=O)[O-] ZINC000533618542 931927227 /nfs/dbraw/zinc/92/72/27/931927227.db2.gz RHKANCOWZVOGCL-UHFFFAOYSA-N -1 3 400.822 4.068 20 5 HIBDHM COc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000535656121 933300674 /nfs/dbraw/zinc/30/06/74/933300674.db2.gz UXJZHAPORBODCJ-UHFFFAOYSA-N -1 3 411.650 4.364 20 5 HIBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CC(F)(F)F)s1 ZINC000539357622 938847630 /nfs/dbraw/zinc/84/76/30/938847630.db2.gz NORVZPHJMWBKLQ-UHFFFAOYSA-N -1 3 406.411 4.304 20 5 HIBDHM CC(C)([C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000549543408 941198888 /nfs/dbraw/zinc/19/88/88/941198888.db2.gz JISIJEJRMKQKQY-HXUWFJFHSA-N -1 3 405.445 4.284 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CSC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676494 941942229 /nfs/dbraw/zinc/94/22/29/941942229.db2.gz JWUDEIILECFGOO-KDOFPFPSSA-N -1 3 421.544 4.176 20 5 HIBDHM CCOc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1OCC ZINC000010962102 845732396 /nfs/dbraw/zinc/73/23/96/845732396.db2.gz GAHAMXYXMBHIDV-UHFFFAOYSA-N -1 3 409.782 4.206 20 5 HIBDHM O=C(c1ccccc1[O-])N1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000436578845 861858882 /nfs/dbraw/zinc/85/88/82/861858882.db2.gz SPEMXWWZOWTNCO-UHFFFAOYSA-N -1 3 410.257 4.324 20 5 HIBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437272692 862514771 /nfs/dbraw/zinc/51/47/71/862514771.db2.gz JLGQJPAYIYPWPN-UHFFFAOYSA-N -1 3 400.363 4.446 20 5 HIBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H](c2cccc(Cl)c2)c2ccccn2)s1 ZINC000301924717 854494400 /nfs/dbraw/zinc/49/44/00/854494400.db2.gz GGTUEXTZSXVBMB-MRXNPFEDSA-N -1 3 423.903 4.310 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cc(Cl)ccc3Cl)cs2)n1 ZINC000427114468 856646372 /nfs/dbraw/zinc/64/63/72/856646372.db2.gz MVUUHZOWWBACEM-UHFFFAOYSA-N -1 3 412.258 4.494 20 5 HIBDHM CCCn1c(C)cc(-c2csc([N-]C(=O)c3nn(CC)cc3[N+](=O)[O-])n2)c1C ZINC000427115306 856647582 /nfs/dbraw/zinc/64/75/82/856647582.db2.gz UEDWKIRGOKDLBM-UHFFFAOYSA-N -1 3 402.480 4.015 20 5 HIBDHM O=C(CCCc1ccc([O-])c(F)c1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000427605324 856885163 /nfs/dbraw/zinc/88/51/63/856885163.db2.gz YFBOUUKHXSUUCC-UHFFFAOYSA-N -1 3 400.328 4.097 20 5 HIBDHM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000443981877 868507477 /nfs/dbraw/zinc/50/74/77/868507477.db2.gz GBYJVOGHXKBUPV-CQSZACIVSA-N -1 3 402.394 4.184 20 5 HIBDHM CC(=O)Nc1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(Cl)c1 ZINC000446081179 870029441 /nfs/dbraw/zinc/02/94/41/870029441.db2.gz AIYGOKAWEBCOPL-UHFFFAOYSA-N -1 3 418.656 4.283 20 5 HIBDHM COc1cc(OC)cc(-c2cccc(NCc3cc(OC)c([O-])cc3[N+](=O)[O-])n2)c1 ZINC000461196801 874195144 /nfs/dbraw/zinc/19/51/44/874195144.db2.gz MPZFSOJWBSUBFI-UHFFFAOYSA-N -1 3 411.414 4.000 20 5 HIBDHM Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c(F)cc1[N+](=O)[O-] ZINC000461776341 874902376 /nfs/dbraw/zinc/90/23/76/874902376.db2.gz BVFJMSFZEFTQSC-UHFFFAOYSA-N -1 3 407.829 4.256 20 5 HIBDHM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000463376509 876431721 /nfs/dbraw/zinc/43/17/21/876431721.db2.gz PVTIJFWNXJALDJ-UHFFFAOYSA-N -1 3 419.684 4.428 20 5 HIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc(F)cc(C(=O)OC)c1F ZINC000478086076 893249903 /nfs/dbraw/zinc/24/99/03/893249903.db2.gz NYHSNYNWOVOYOH-UHFFFAOYSA-N -1 3 410.398 4.414 20 5 HIBDHM O=C([N-]c1ncc(Cc2cccc(Br)c2)s1)c1ccc([N+](=O)[O-])o1 ZINC000505384719 914048919 /nfs/dbraw/zinc/04/89/19/914048919.db2.gz PYKWNWYOXZZIOC-UHFFFAOYSA-N -1 3 408.233 4.250 20 5 HIBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1C ZINC000480950919 896293493 /nfs/dbraw/zinc/29/34/93/896293493.db2.gz MLTGYRZPNKFEQV-CQSZACIVSA-N -1 3 402.394 4.184 20 5 HIBDHM O=C(NCc1ccc([O-])c(Br)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000481473399 896860982 /nfs/dbraw/zinc/86/09/82/896860982.db2.gz HTQHCVCESVWSFL-UHFFFAOYSA-N -1 3 400.616 4.038 20 5 HIBDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)c1 ZINC000497953533 907423230 /nfs/dbraw/zinc/42/32/30/907423230.db2.gz VNKGRNLCJIRNHY-LJQANCHMSA-N -1 3 417.874 4.020 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC=C(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000498853728 908257499 /nfs/dbraw/zinc/25/74/99/908257499.db2.gz YKCXYKCHOHOBMR-UHFFFAOYSA-N -1 3 405.451 4.076 20 5 HIBDHM Cc1c(Br)cc(C(=O)[N-]c2nnc(-c3ccco3)s2)cc1[N+](=O)[O-] ZINC000509851449 918454864 /nfs/dbraw/zinc/45/48/64/918454864.db2.gz HVMDDERUAZABPC-UHFFFAOYSA-N -1 3 409.221 4.030 20 5 HIBDHM 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O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1c(F)ccc(Br)c1F ZINC000573171817 948101818 /nfs/dbraw/zinc/10/18/18/948101818.db2.gz JMVMFNNJVPYQCT-UHFFFAOYSA-N -1 3 423.116 4.489 20 5 HIBDHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010316183 845644070 /nfs/dbraw/zinc/64/40/70/845644070.db2.gz KZQDFCZHMYHPGW-SNVBAGLBSA-N -1 3 419.463 4.448 20 5 HIBDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436950815 862128536 /nfs/dbraw/zinc/12/85/36/862128536.db2.gz DDVARUHNGCVCIY-UHFFFAOYSA-N -1 3 419.437 4.055 20 5 HIBDHM CS[C@H](C)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301782494 854465004 /nfs/dbraw/zinc/46/50/04/854465004.db2.gz JOUFMXNQJVQETH-CQSZACIVSA-N -1 3 409.533 4.176 20 5 HIBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cnc(-c2ccccc2F)s1 ZINC000410086978 855813176 /nfs/dbraw/zinc/81/31/76/855813176.db2.gz MFTDGTITJOBYAI-UHFFFAOYSA-N -1 3 415.402 4.271 20 5 HIBDHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)cc(=O)[n-]1 ZINC000437397746 862738473 /nfs/dbraw/zinc/73/84/73/862738473.db2.gz VDAIULRYUPNBSS-UHFFFAOYSA-N -1 3 419.441 4.262 20 5 HIBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426433196 856287763 /nfs/dbraw/zinc/28/77/63/856287763.db2.gz MELLXFQUHHFIBT-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000426433196 856287773 /nfs/dbraw/zinc/28/77/73/856287773.db2.gz MELLXFQUHHFIBT-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM Cc1cccc(C[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426665208 856401998 /nfs/dbraw/zinc/40/19/98/856401998.db2.gz JFAZTZZQBPTDGF-KRWDZBQOSA-N -1 3 411.483 4.060 20 5 HIBDHM COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426690188 856415585 /nfs/dbraw/zinc/41/55/85/856415585.db2.gz ZZASWKAWYZCQCJ-UHFFFAOYSA-N -1 3 422.437 4.170 20 5 HIBDHM COc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000439252046 864669174 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Cc1cccc([C@H]([N-]c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])c2ccccn2)c1 ZINC000301856152 854476540 /nfs/dbraw/zinc/47/65/40/854476540.db2.gz BZUYYBWWTLMNRK-IBGZPJMESA-N -1 3 408.414 4.209 20 5 HIBDHM COc1ccc(-c2ccc(CN[C@H](c3ccccc3)[C@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426717296 856431114 /nfs/dbraw/zinc/43/11/14/856431114.db2.gz OHPSXCKRPKXMQV-QKKBWIMNSA-N -1 3 410.426 4.415 20 5 HIBDHM Cc1cc(C)cc(C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])c1 ZINC000426819350 856496077 /nfs/dbraw/zinc/49/60/77/856496077.db2.gz VNNDLXFMAVZIPH-LJQANCHMSA-N -1 3 411.483 4.121 20 5 HIBDHM Cc1nc(-c2ccc(NC(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)cc2)cc(=O)[n-]1 ZINC000431075875 858436384 /nfs/dbraw/zinc/43/63/84/858436384.db2.gz HGAOXOFGSQLISU-UHFFFAOYSA-N -1 3 407.430 4.123 20 5 HIBDHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437723173 863053536 /nfs/dbraw/zinc/05/35/36/863053536.db2.gz QYPRYTJCBKZDNY-HNAYVOBHSA-N -1 3 424.906 4.003 20 5 HIBDHM 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O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543785910 940186328 /nfs/dbraw/zinc/18/63/28/940186328.db2.gz AESJVEPPRNFPPR-UHFFFAOYSA-N -1 3 424.360 4.030 20 5 HIBDHM CC(=O)c1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000557510864 943178696 /nfs/dbraw/zinc/17/86/96/943178696.db2.gz LAHTVOAPMFUEJN-UHFFFAOYSA-N -1 3 417.849 4.012 20 5 HIBDHM CCOc1cc([N-]C(=O)c2c(C)onc2-c2cccnc2)c([N+](=O)[O-])cc1OCC ZINC000558026176 943359655 /nfs/dbraw/zinc/35/96/55/943359655.db2.gz WYRMKSPIYVGUKK-UHFFFAOYSA-N -1 3 412.402 4.003 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)c(C)c1 ZINC000015206075 846018553 /nfs/dbraw/zinc/01/85/53/846018553.db2.gz VXYUMIQJPQSKGB-UHFFFAOYSA-N -1 3 412.471 4.020 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CCSCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301109417 854298450 /nfs/dbraw/zinc/29/84/50/854298450.db2.gz JIQUZFXGADAMHC-UHFFFAOYSA-N -1 3 421.544 4.320 20 5 HIBDHM 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ZINC000466506601 880281924 /nfs/dbraw/zinc/28/19/24/880281924.db2.gz VKTKMIJGKIGRTK-UHFFFAOYSA-N -1 3 401.163 4.287 20 5 HIBDHM Cc1sc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)cc1[N+](=O)[O-] ZINC000467059583 880846135 /nfs/dbraw/zinc/84/61/35/880846135.db2.gz MYOAVRXQGIPBOD-UHFFFAOYSA-N -1 3 400.528 4.156 20 5 HIBDHM Cc1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000474363860 889242445 /nfs/dbraw/zinc/24/24/45/889242445.db2.gz XRXRTJDPTMDQNL-UHFFFAOYSA-N -1 3 407.411 4.329 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c(C(F)(F)F)c1 ZINC000480237331 895646046 /nfs/dbraw/zinc/64/60/46/895646046.db2.gz ZBRNYNKNCIAHOB-UHFFFAOYSA-N -1 3 416.164 4.116 20 5 HIBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000481963461 897353696 /nfs/dbraw/zinc/35/36/96/897353696.db2.gz BQCRZAARCYCOIL-UHFFFAOYSA-N -1 3 416.484 4.104 20 5 HIBDHM O=C(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484529147 900016892 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HIBDHM O=C([O-])[C@H](Cc1cccc(Cl)c1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426735468 856443094 /nfs/dbraw/zinc/44/30/94/856443094.db2.gz TURQGMCEBDAUIT-KRWDZBQOSA-N -1 3 417.874 4.157 20 5 HIBDHM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000437654054 862991335 /nfs/dbraw/zinc/99/13/35/862991335.db2.gz LDLAAKUPYUMSTA-UHFFFAOYSA-N -1 3 403.485 4.011 20 5 HIBDHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000437723177 863054306 /nfs/dbraw/zinc/05/43/06/863054306.db2.gz QYPRYTJCBKZDNY-KXBFYZLASA-N -1 3 424.906 4.003 20 5 HIBDHM O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444826554 869035383 /nfs/dbraw/zinc/03/53/83/869035383.db2.gz GJVVABIAKFCNMC-UHFFFAOYSA-N -1 3 424.360 4.014 20 5 HIBDHM COc1cc(C)ccc1Oc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000445199916 869271151 /nfs/dbraw/zinc/27/11/51/869271151.db2.gz ZGWSCWABIMXFDM-UHFFFAOYSA-N -1 3 413.361 4.196 20 5 HIBDHM 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C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476168145 891097334 /nfs/dbraw/zinc/09/73/34/891097334.db2.gz RJVZRUKBEWHQIE-MRVPVSSYSA-N -1 3 404.728 4.379 20 5 HIBDHM COc1c(C(=O)[N-]c2nnc([C@@H]3CCCc4ccccc43)s2)cccc1[N+](=O)[O-] ZINC000477104974 892037511 /nfs/dbraw/zinc/03/75/11/892037511.db2.gz ZOSSDRXKPNIGFK-CQSZACIVSA-N -1 3 410.455 4.175 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2C)c(C)c([N+](=O)[O-])c1 ZINC000484080316 899714305 /nfs/dbraw/zinc/71/43/05/899714305.db2.gz ZRKZOOPUQFLLEF-UHFFFAOYSA-N -1 3 409.398 4.214 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CSc3ccccc3[N+](=O)[O-])c2)n1 ZINC000485734454 900986903 /nfs/dbraw/zinc/98/69/03/900986903.db2.gz MSDMWJDNTWVAJS-UHFFFAOYSA-N -1 3 410.455 4.051 20 5 HIBDHM Cc1ccc(Sc2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2[N+](=O)[O-])cc1 ZINC000497501659 906988604 /nfs/dbraw/zinc/98/86/04/906988604.db2.gz ZYGZXACFRZWWMY-UHFFFAOYSA-N -1 3 423.376 4.444 20 5 HIBDHM Cc1ccc(Sc2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2[N+](=O)[O-])cc1 ZINC000497501659 906988624 /nfs/dbraw/zinc/98/86/24/906988624.db2.gz ZYGZXACFRZWWMY-UHFFFAOYSA-N -1 3 423.376 4.444 20 5 HIBDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1 ZINC000502573459 911580407 /nfs/dbraw/zinc/58/04/07/911580407.db2.gz ZQAMFHZRPABDHM-UHFFFAOYSA-N -1 3 405.439 4.371 20 5 HIBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2C)cc1[N+](=O)[O-] ZINC000508145039 916964398 /nfs/dbraw/zinc/96/43/98/916964398.db2.gz XYLNHRZJCPEIRA-UHFFFAOYSA-N -1 3 419.503 4.093 20 5 HIBDHM O=C(Nc1cc(Cc2ccccc2)ccc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000531351235 931027665 /nfs/dbraw/zinc/02/76/65/931027665.db2.gz HPFFYMKDKJPDNC-UHFFFAOYSA-N -1 3 415.405 4.397 20 5 HIBDHM CCOc1cc([N-]C(=O)c2cnc(-c3cccnc3)s2)c([N+](=O)[O-])cc1OCC ZINC000534873139 932817364 /nfs/dbraw/zinc/81/73/64/932817364.db2.gz FXPMHUSTFBRMQG-UHFFFAOYSA-N -1 3 414.443 4.163 20 5 HIBDHM COc1cc(CNc2ccc(Oc3ccc(C)cc3OC)nc2)c([N+](=O)[O-])cc1[O-] ZINC000538608537 938660690 /nfs/dbraw/zinc/66/06/90/938660690.db2.gz UHGOBDBNQQTHQQ-UHFFFAOYSA-N -1 3 411.414 4.425 20 5 HIBDHM CC[C@H](c1nnc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])s1)c1ccccc1 ZINC000539693704 938904255 /nfs/dbraw/zinc/90/42/55/938904255.db2.gz WNSMXYMPANCQIN-AWEZNQCLSA-N -1 3 400.460 4.315 20 5 HIBDHM COc1cc(CNc2ncc(Cc3ccc(F)cc3F)s2)c([N+](=O)[O-])cc1[O-] ZINC000541819588 939642612 /nfs/dbraw/zinc/64/26/12/939642612.db2.gz MITLBFDRYUBXFB-UHFFFAOYSA-N -1 3 407.398 4.247 20 5 HIBDHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)s2)cc1 ZINC000542859316 939863723 /nfs/dbraw/zinc/86/37/23/939863723.db2.gz MBAXQILTEUVUGK-UHFFFAOYSA-N -1 3 420.397 4.199 20 5 HIBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544503185 940458486 /nfs/dbraw/zinc/45/84/86/940458486.db2.gz GBMYKZNEHIUJDC-UHFFFAOYSA-N -1 3 424.486 4.310 20 5 HIBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000544503185 940458491 /nfs/dbraw/zinc/45/84/91/940458491.db2.gz GBMYKZNEHIUJDC-UHFFFAOYSA-N -1 3 424.486 4.310 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CSC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676495 941942458 /nfs/dbraw/zinc/94/24/58/941942458.db2.gz JWUDEIILECFGOO-KSSFIOAISA-N -1 3 421.544 4.176 20 5 HIBDHM O=[N+]([O-])c1ccc(Cc2noc(-c3cc(CCc4ccccc4)ccc3[O-])n2)nc1 ZINC000436943581 862120398 /nfs/dbraw/zinc/12/03/98/862120398.db2.gz KFXDUWOAYYPZDA-UHFFFAOYSA-N -1 3 402.410 4.121 20 5 HIBDHM Cc1ccc(C[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(=O)[O-])cc1 ZINC000426659229 856398032 /nfs/dbraw/zinc/39/80/32/856398032.db2.gz CPOPATBOXSNPQL-QGZVFWFLSA-N -1 3 411.483 4.060 20 5 HIBDHM COc1ccc([C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C(=O)[O-])cc1F ZINC000426825655 856500929 /nfs/dbraw/zinc/50/09/29/856500929.db2.gz QVNVMEVVXAMVLJ-IBGZPJMESA-N -1 3 416.430 4.387 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC3CC(F)(F)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000428661345 857292178 /nfs/dbraw/zinc/29/21/78/857292178.db2.gz RZKCXGRAFKZHJN-UHFFFAOYSA-N -1 3 411.430 4.222 20 5 HIBDHM COc1cc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000430209052 858082841 /nfs/dbraw/zinc/08/28/41/858082841.db2.gz VSGQBTOUHKABEI-UHFFFAOYSA-N -1 3 408.336 4.126 20 5 HIBDHM COc1ccc(NC(=O)c2ccc(NCc3cc(OC)c([O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000446905485 870824033 /nfs/dbraw/zinc/82/40/33/870824033.db2.gz IFNJZCQQPTUQLO-UHFFFAOYSA-N -1 3 423.425 4.182 20 5 HIBDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000446953318 870859417 /nfs/dbraw/zinc/85/94/17/870859417.db2.gz ZEGSAOXQCYRHPR-UHFFFAOYSA-N -1 3 419.684 4.428 20 5 HIBDHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)no1 ZINC000472531471 887403763 /nfs/dbraw/zinc/40/37/63/887403763.db2.gz BVFKWHPSXHJYJY-UHFFFAOYSA-N -1 3 423.425 4.381 20 5 HIBDHM COc1ccc(CSCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000476159355 891084567 /nfs/dbraw/zinc/08/45/67/891084567.db2.gz NQZAEXADLYEHHY-UHFFFAOYSA-N -1 3 416.377 4.200 20 5 HIBDHM COc1ccc([N-]C(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)c([N+](=O)[O-])c1 ZINC000476667109 891614947 /nfs/dbraw/zinc/61/49/47/891614947.db2.gz NKURFBNPGLWUMU-UHFFFAOYSA-N -1 3 422.228 4.052 20 5 HIBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000481453025 896849260 /nfs/dbraw/zinc/84/92/60/896849260.db2.gz LJICMIWMYINJDN-UHFFFAOYSA-N -1 3 419.153 4.012 20 5 HIBDHM COC(=O)c1ccc(F)c([N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1 ZINC000493249913 905067161 /nfs/dbraw/zinc/06/71/61/905067161.db2.gz CABOMLIWEHUWQD-UHFFFAOYSA-N -1 3 424.384 4.352 20 5 HIBDHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000498242813 907779826 /nfs/dbraw/zinc/77/98/26/907779826.db2.gz BLINXHNZFVXVQC-UHFFFAOYSA-N -1 3 420.333 4.146 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000515729448 923308674 /nfs/dbraw/zinc/30/86/74/923308674.db2.gz DCQSUTIPJDZSTD-UHFFFAOYSA-N -1 3 402.859 4.316 20 5 HIBDHM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC000520387834 928539521 /nfs/dbraw/zinc/53/95/21/928539521.db2.gz OYKURFNBGMDCIL-MRVPVSSYSA-N -1 3 415.627 4.122 20 5 HIBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000525238710 930099854 /nfs/dbraw/zinc/09/98/54/930099854.db2.gz ZGVWHXKNKJGOJJ-UHFFFAOYSA-N -1 3 423.647 4.259 20 5 HIBDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)c1 ZINC000525650649 930382847 /nfs/dbraw/zinc/38/28/47/930382847.db2.gz GOCLHQLUXNUQCY-UHFFFAOYSA-N -1 3 419.260 4.437 20 5 HIBDHM CC(C)OC(=O)C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000525924163 930484352 /nfs/dbraw/zinc/48/43/52/930484352.db2.gz SMFKAZWLTUVXRT-IBGZPJMESA-N -1 3 422.437 4.266 20 5 HIBDHM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1Cl ZINC000533464777 931876168 /nfs/dbraw/zinc/87/61/68/931876168.db2.gz WRFSMWJBTWXDHM-UHFFFAOYSA-N -1 3 405.657 4.120 20 5 HIBDHM COc1cc(CNc2nnc(Cc3cccc4ccccc43)o2)c([N+](=O)[O-])cc1[O-] ZINC000538609440 938660709 /nfs/dbraw/zinc/66/07/09/938660709.db2.gz CGCSLBAKZUEZEX-UHFFFAOYSA-N -1 3 406.398 4.048 20 5 HIBDHM O=[N+]([O-])c1cccc(-c2nc(C[N-]c3nnc([C@@H]4Cc5ccccc5O4)o3)cs2)c1 ZINC000540792504 939373897 /nfs/dbraw/zinc/37/38/97/939373897.db2.gz LSCOBDHOKYHTAC-KRWDZBQOSA-N -1 3 421.438 4.390 20 5 HIBDHM O=C(Nc1ccc(Br)cc1[O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000547705734 941072614 /nfs/dbraw/zinc/07/26/14/941072614.db2.gz ABMNFEYJGMJCSC-UHFFFAOYSA-N -1 3 409.239 4.402 20 5 HIBDHM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)Cc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000555003483 942350971 /nfs/dbraw/zinc/35/09/71/942350971.db2.gz YVTYPFUSNPVBQD-UHFFFAOYSA-N -1 3 422.466 4.160 20 5 HIBDHM COc1cc(CNc2ccc3c(c2)N(CC(F)F)CCS3)c([N+](=O)[O-])cc1[O-] ZINC000568304238 946496254 /nfs/dbraw/zinc/49/62/54/946496254.db2.gz FULRORZCIRXCBT-UHFFFAOYSA-N -1 3 411.430 4.098 20 5 HIBDHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006047127 845163002 /nfs/dbraw/zinc/16/30/02/845163002.db2.gz LVYRYXFRVOXNTD-UHFFFAOYSA-N -1 3 410.835 4.250 20 5 HIBDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000011809544 845834228 /nfs/dbraw/zinc/83/42/28/845834228.db2.gz JYEQLLMVGRQONN-LURJTMIESA-N -1 3 406.609 4.067 20 5 HIBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000028660002 847441704 /nfs/dbraw/zinc/44/17/04/847441704.db2.gz RJTRMGZVBZNRSN-OAQYLSRUSA-N -1 3 405.410 4.389 20 5 HIBDHM CCOc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000030420658 847714030 /nfs/dbraw/zinc/71/40/30/847714030.db2.gz VKDUIMCZCAWBOG-NRFANRHFSA-N -1 3 412.467 4.061 20 5 HIBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1[N+](=O)[O-] ZINC000031721644 847938206 /nfs/dbraw/zinc/93/82/06/847938206.db2.gz KUJMKOQCAGGMQR-UHFFFAOYSA-N -1 3 402.403 4.210 20 5 HIBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1[N+](=O)[O-] ZINC000057748568 850707097 /nfs/dbraw/zinc/70/70/97/850707097.db2.gz MYQPVQVUUHPISB-UHFFFAOYSA-N -1 3 408.439 4.043 20 5 HIBDHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000064867814 852009819 /nfs/dbraw/zinc/00/98/19/852009819.db2.gz FPRAGFQFBDPQEC-UHFFFAOYSA-N -1 3 423.479 4.413 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C(=O)c2ccc(C)cc2)CCC3)n1 ZINC000427200999 856708896 /nfs/dbraw/zinc/70/88/96/856708896.db2.gz VGCGWTYQCSLAHF-UHFFFAOYSA-N -1 3 424.482 4.153 20 5 HIBDHM COc1cc(C(=O)[N-]c2nnc([C@H]3CCCc4ccccc43)s2)ccc1[N+](=O)[O-] ZINC000432584614 859240498 /nfs/dbraw/zinc/24/04/98/859240498.db2.gz ACFUGWXBYBIQCF-HNNXBMFYSA-N -1 3 410.455 4.175 20 5 HIBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000443971967 868502115 /nfs/dbraw/zinc/50/21/15/868502115.db2.gz LJLLKNFKBLKOQS-AWEZNQCLSA-N -1 3 402.394 4.184 20 5 HIBDHM CCOC(C)(C)CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000444002490 868523266 /nfs/dbraw/zinc/52/32/66/868523266.db2.gz OCPMDHVQOSKMQJ-UHFFFAOYSA-N -1 3 421.519 4.239 20 5 HIBDHM O=C(Nc1ccc(Oc2ccc(F)cc2)c2ccncc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445174174 869259891 /nfs/dbraw/zinc/25/98/91/869259891.db2.gz QUONYEBQUIFQNF-UHFFFAOYSA-N -1 3 420.356 4.427 20 5 HIBDHM CCOc1cc([N-]C(=O)c2sc(C(C)(C)OC)nc2C)c([N+](=O)[O-])cc1OCC ZINC000463288993 876349338 /nfs/dbraw/zinc/34/93/38/876349338.db2.gz NUAQJJYGMRNOLI-UHFFFAOYSA-N -1 3 423.491 4.291 20 5 HIBDHM O=[N+]([O-])c1ccc(-c2ccc(CNCc3ncccc3[O-])o2)c(Br)c1 ZINC000475355199 890280685 /nfs/dbraw/zinc/28/06/85/890280685.db2.gz JKDFSSGYUAYFAU-UHFFFAOYSA-N -1 3 404.220 4.008 20 5 HIBDHM COc1ccc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)c([N+](=O)[O-])c1 ZINC000476844898 891819172 /nfs/dbraw/zinc/81/91/72/891819172.db2.gz IDTYGYITMRUESY-UHFFFAOYSA-N -1 3 404.473 4.127 20 5 HIBDHM COc1ccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)cc1[N+](=O)[O-] ZINC000478785196 894060921 /nfs/dbraw/zinc/06/09/21/894060921.db2.gz DIYYOSLUJOFEPJ-UHFFFAOYSA-N -1 3 408.798 4.167 20 5 HIBDHM CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)s1 ZINC000481881547 897253478 /nfs/dbraw/zinc/25/34/78/897253478.db2.gz RUFLMZVQQZHKCC-UHFFFAOYSA-N -1 3 410.521 4.341 20 5 HIBDHM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])cc1Br ZINC000490286939 903876192 /nfs/dbraw/zinc/87/61/92/903876192.db2.gz LTGSMLCAWNXHCD-XQRVVYSFSA-N -1 3 421.232 4.225 20 5 HIBDHM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccn2)c1 ZINC000497953530 907423712 /nfs/dbraw/zinc/42/37/12/907423712.db2.gz VNKGRNLCJIRNHY-IBGZPJMESA-N -1 3 417.874 4.020 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)cc([N+](=O)[O-])c1 ZINC000503157861 912124689 /nfs/dbraw/zinc/12/46/89/912124689.db2.gz QQXAZNBQZFHKFF-UHFFFAOYSA-N -1 3 419.365 4.035 20 5 HIBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507921075 916800368 /nfs/dbraw/zinc/80/03/68/916800368.db2.gz OQLGKLJHRCGRFJ-CYBMUJFWSA-N -1 3 406.357 4.014 20 5 HIBDHM Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000521687688 929366670 /nfs/dbraw/zinc/36/66/70/929366670.db2.gz DEBFZRIWKCPDSI-GFCCVEGCSA-N -1 3 423.541 4.436 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)c2)n1 ZINC000534255122 932368008 /nfs/dbraw/zinc/36/80/08/932368008.db2.gz RNQFYXDJGUNKCL-UHFFFAOYSA-N -1 3 403.398 4.053 20 5 HIBDHM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000563662367 945242739 /nfs/dbraw/zinc/24/27/39/945242739.db2.gz ZRCQXFLQJFDLHU-UHFFFAOYSA-N -1 3 417.306 4.270 20 5 HIBDHM O=[N+]([O-])c1ccc(-c2ccc(C[N-]c3nnc([C@@H]4COc5ccccc5O4)o3)o2)cc1 ZINC000543683335 940159003 /nfs/dbraw/zinc/15/90/03/940159003.db2.gz JSAARULICWRRMJ-IBGZPJMESA-N -1 3 420.381 4.362 20 5 HIBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000545230720 940557574 /nfs/dbraw/zinc/55/75/74/940557574.db2.gz FGITYHHMWVBJFL-INIZCTEOSA-N -1 3 412.489 4.233 20 5 HIBDHM CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000548928075 941130062 /nfs/dbraw/zinc/13/00/62/941130062.db2.gz OIJCWDPCROBAHT-UHFFFAOYSA-N -1 3 410.455 4.240 20 5 HIBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000549007699 941142270 /nfs/dbraw/zinc/14/22/70/941142270.db2.gz VZZIPYQCPGQUIR-UHFFFAOYSA-N -1 3 401.163 4.287 20 5 HIBDHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016963974 846223778 /nfs/dbraw/zinc/22/37/78/846223778.db2.gz YUHOXUIADKFNOB-UHFFFAOYSA-N -1 3 422.626 4.048 20 5 HIBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000028659969 847441424 /nfs/dbraw/zinc/44/14/24/847441424.db2.gz XGULJJAGQZCXTM-OAQYLSRUSA-N -1 3 405.410 4.076 20 5 HIBDHM Cc1cc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000436623029 861873725 /nfs/dbraw/zinc/87/37/25/861873725.db2.gz FREQCRMRSHZAPS-UHFFFAOYSA-N -1 3 423.391 4.344 20 5 HIBDHM O=C([N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1scnc1C(F)(F)F ZINC000436863295 862042238 /nfs/dbraw/zinc/04/22/38/862042238.db2.gz IJXDLHCIBHYQHW-UHFFFAOYSA-N -1 3 400.363 4.446 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCc3ccco3)c([N+](=O)[O-])c2)c(C)c1 ZINC000068836958 852373901 /nfs/dbraw/zinc/37/39/01/852373901.db2.gz GPIGNMYWTOBNDS-UHFFFAOYSA-N -1 3 415.471 4.260 20 5 HIBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]C(c2cccs2)c2cccs2)s1 ZINC000302208652 854550724 /nfs/dbraw/zinc/55/07/24/854550724.db2.gz XUTFITUYYPXQDA-UHFFFAOYSA-N -1 3 400.528 4.384 20 5 HIBDHM COc1ccc(-c2ccc(CN[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000426717297 856430859 /nfs/dbraw/zinc/43/08/59/856430859.db2.gz OHPSXCKRPKXMQV-SPLOXXLWSA-N -1 3 410.426 4.415 20 5 HIBDHM O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445012416 869163937 /nfs/dbraw/zinc/16/39/37/869163937.db2.gz YUVVWAXHPLPWDY-UHFFFAOYSA-N -1 3 419.319 4.105 20 5 HIBDHM COc1cc(CNc2ccc(C(=O)Nc3ccccc3OC)cc2)c([N+](=O)[O-])cc1[O-] ZINC000446907384 870825456 /nfs/dbraw/zinc/82/54/56/870825456.db2.gz DJWKZKGKMXQROE-UHFFFAOYSA-N -1 3 423.425 4.182 20 5 HIBDHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463798860 876915911 /nfs/dbraw/zinc/91/59/11/876915911.db2.gz OBAQTDUUKWOEPX-UHFFFAOYSA-N -1 3 422.260 4.015 20 5 HIBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000466503201 880278020 /nfs/dbraw/zinc/27/80/20/880278020.db2.gz BZBDJOFDRDLDKW-UHFFFAOYSA-N -1 3 401.163 4.287 20 5 HIBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(Br)cc2nc(C)oc21 ZINC000471157433 885709014 /nfs/dbraw/zinc/70/90/14/885709014.db2.gz QQTLCSQDPQMFAB-UHFFFAOYSA-N -1 3 420.219 4.458 20 5 HIBDHM Cc1nc(-c2ccccc2[N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000475825434 890759436 /nfs/dbraw/zinc/75/94/36/890759436.db2.gz GYKOMEYWDQDEGQ-UHFFFAOYSA-N -1 3 403.485 4.011 20 5 HIBDHM Cc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)cs2)c(C)c1 ZINC000490348199 903942157 /nfs/dbraw/zinc/94/21/57/903942157.db2.gz ZKOCJPDVJVLIHH-UHFFFAOYSA-N -1 3 420.454 4.373 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c(F)c1 ZINC000515370431 923069594 /nfs/dbraw/zinc/06/95/94/923069594.db2.gz DPXGMVXABFSHMH-QGZVFWFLSA-N -1 3 410.423 4.002 20 5 HIBDHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000520635134 928690149 /nfs/dbraw/zinc/69/01/49/928690149.db2.gz HKUJRKCIKOURAH-UHFFFAOYSA-N -1 3 414.892 4.016 20 5 HIBDHM CC(C)(C)OC(=O)c1ccc(Br)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000543498338 940085372 /nfs/dbraw/zinc/08/53/72/940085372.db2.gz XJAMKXDATRUFAO-UHFFFAOYSA-N -1 3 411.208 4.158 20 5 HIBDHM CC(=O)c1cccc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)c1[O-] ZINC000560549320 944250356 /nfs/dbraw/zinc/25/03/56/944250356.db2.gz DFIKIWRTTDWNBD-CYBMUJFWSA-N -1 3 420.425 4.323 20 5 HIBDHM O=C([N-]c1nc(-c2ccc(Br)s2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000003196046 845009128 /nfs/dbraw/zinc/00/91/28/845009128.db2.gz BCUODIYIQODXNY-UHFFFAOYSA-N -1 3 400.235 4.388 20 5 HIBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000004808426 845068096 /nfs/dbraw/zinc/06/80/96/845068096.db2.gz LKAMEWYKJNRKGF-QMMMGPOBSA-N -1 3 407.835 4.081 20 5 HIBDHM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000016196741 846137374 /nfs/dbraw/zinc/13/73/74/846137374.db2.gz MMUUYOOTZSXVAP-VIFPVBQESA-N -1 3 419.484 4.150 20 5 HIBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000028659976 847441690 /nfs/dbraw/zinc/44/16/90/847441690.db2.gz BKBFLAXFSMKQOS-QFIPXVFZSA-N -1 3 419.437 4.118 20 5 HIBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000029938486 847655054 /nfs/dbraw/zinc/65/50/54/847655054.db2.gz FQDLMVOACQRUBH-VIFPVBQESA-N -1 3 408.785 4.307 20 5 HIBDHM Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000436598630 861863866 /nfs/dbraw/zinc/86/38/66/861863866.db2.gz BKXUQHBPDNVVLN-HXUWFJFHSA-N -1 3 419.437 4.109 20 5 HIBDHM O=C([O-])[C@H](CCCc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426836028 856506417 /nfs/dbraw/zinc/50/64/17/856506417.db2.gz SQQLKYUYHFWKGG-IBGZPJMESA-N -1 3 411.483 4.284 20 5 HIBDHM COc1ccc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)cc1[N+](=O)[O-] ZINC000440321189 865593452 /nfs/dbraw/zinc/59/34/52/865593452.db2.gz RUUBZEPQQBXQJE-UHFFFAOYSA-N -1 3 402.457 4.167 20 5 HIBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440725056 865876141 /nfs/dbraw/zinc/87/61/41/865876141.db2.gz LUDVRTGERMOJPV-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000440725056 865876149 /nfs/dbraw/zinc/87/61/49/865876149.db2.gz LUDVRTGERMOJPV-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000443971968 868501672 /nfs/dbraw/zinc/50/16/72/868501672.db2.gz LJLLKNFKBLKOQS-CQSZACIVSA-N -1 3 402.394 4.184 20 5 HIBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000462378146 875489493 /nfs/dbraw/zinc/48/94/93/875489493.db2.gz DGOOEPGGMSZMQD-OAHLLOKOSA-N -1 3 403.504 4.064 20 5 HIBDHM CO[C@@H](CNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-])C(C)C ZINC000467018086 880819962 /nfs/dbraw/zinc/81/99/62/880819962.db2.gz DFZZHRNKRZGCLY-FQEVSTJZSA-N -1 3 421.519 4.095 20 5 HIBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC[C@H]3C)cc2C)cc1[N+](=O)[O-] ZINC000467430731 881225375 /nfs/dbraw/zinc/22/53/75/881225375.db2.gz WVEYXZCETVWWBL-OAHLLOKOSA-N -1 3 419.503 4.091 20 5 HIBDHM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)ccc1[N+](=O)[O-] ZINC000479121982 894390662 /nfs/dbraw/zinc/39/06/62/894390662.db2.gz PTMXHYOYXVKZOK-UHFFFAOYSA-N -1 3 405.657 4.120 20 5 HIBDHM O=C([N-]c1c(Br)cc(F)cc1Br)c1ccc([N+](=O)[O-])o1 ZINC000481853910 897220905 /nfs/dbraw/zinc/22/09/05/897220905.db2.gz FDFYQEBAUASPLX-UHFFFAOYSA-N -1 3 407.977 4.104 20 5 HIBDHM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ncc1Br ZINC000486203814 901389038 /nfs/dbraw/zinc/38/90/38/901389038.db2.gz MZSXHBGMBKUEGO-UHFFFAOYSA-N -1 3 421.070 4.137 20 5 HIBDHM O=C([N-]c1cc2c(cc1Cl)OCO2)c1sc(Br)cc1[N+](=O)[O-] ZINC000486422382 901580647 /nfs/dbraw/zinc/58/06/47/901580647.db2.gz GIMRUQOIRAQYFU-UHFFFAOYSA-N -1 3 405.613 4.053 20 5 HIBDHM Cc1nc(-c2ccc(NC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)cc(=O)[n-]1 ZINC000489600833 903490045 /nfs/dbraw/zinc/49/00/45/903490045.db2.gz BKQNZZLHFQURQQ-UHFFFAOYSA-N -1 3 419.441 4.262 20 5 HIBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)nc1 ZINC000509246719 917940935 /nfs/dbraw/zinc/94/09/35/917940935.db2.gz IIPCKKYXIGPBQS-UHFFFAOYSA-N -1 3 409.876 4.314 20 5 HIBDHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3cccc([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000509665127 918297826 /nfs/dbraw/zinc/29/78/26/918297826.db2.gz FBXDFVQAFOROJO-SNVBAGLBSA-N -1 3 419.484 4.231 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000509701502 918332805 /nfs/dbraw/zinc/33/28/05/918332805.db2.gz WTLCEBLZGPZYOE-BXUZGUMPSA-N -1 3 420.796 4.101 20 5 HIBDHM COc1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)ccc1[N+](=O)[O-] ZINC000511623562 920282824 /nfs/dbraw/zinc/28/28/24/920282824.db2.gz ASGXVPLQPUJTRR-UHFFFAOYSA-N -1 3 408.486 4.061 20 5 HIBDHM CC[C@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000518399845 927241004 /nfs/dbraw/zinc/24/10/04/927241004.db2.gz ORRRFDAGMQNLIO-INIZCTEOSA-N -1 3 403.504 4.391 20 5 HIBDHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000520322212 928485705 /nfs/dbraw/zinc/48/57/05/928485705.db2.gz CBHKCBHGNDGDJB-UHFFFAOYSA-N -1 3 416.411 4.343 20 5 HIBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000535716686 933367413 /nfs/dbraw/zinc/36/74/13/933367413.db2.gz KXGHGMLUALJOHP-UHFFFAOYSA-N -1 3 409.349 4.135 20 5 HIBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000535716686 933367421 /nfs/dbraw/zinc/36/74/21/933367421.db2.gz KXGHGMLUALJOHP-UHFFFAOYSA-N -1 3 409.349 4.135 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)c2)n1 ZINC000537639447 938343583 /nfs/dbraw/zinc/34/35/83/938343583.db2.gz LGNMQMCZUIUQDJ-UHFFFAOYSA-N -1 3 406.442 4.497 20 5 HIBDHM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)s1 ZINC000541951793 939660769 /nfs/dbraw/zinc/66/07/69/939660769.db2.gz LJDCJZHNOTVKAJ-UHFFFAOYSA-N -1 3 412.399 4.337 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)c2)n1 ZINC000543467927 940073724 /nfs/dbraw/zinc/07/37/24/940073724.db2.gz FZMSSLWEZTVTFT-LBPRGKRZSA-N -1 3 410.405 4.201 20 5 HIBDHM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)Cc4ccccc4[N+](=O)[O-])cc3)nc12 ZINC000546794536 940884342 /nfs/dbraw/zinc/88/43/42/940884342.db2.gz KTYAXSKLVQAMFL-UHFFFAOYSA-N -1 3 422.466 4.160 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CSC[C@@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676493 941942254 /nfs/dbraw/zinc/94/22/54/941942254.db2.gz JWUDEIILECFGOO-KBXCAEBGSA-N -1 3 421.544 4.176 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CSC[C@H]3C)c([N+](=O)[O-])c2)c(C)c1 ZINC000553676496 941942550 /nfs/dbraw/zinc/94/25/50/941942550.db2.gz JWUDEIILECFGOO-RDTXWAMCSA-N -1 3 421.544 4.176 20 5 HIBDHM CCC(C)(C)NC(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1Cl ZINC000559992515 944114808 /nfs/dbraw/zinc/11/48/08/944114808.db2.gz CGWQGCHAJHDYFI-UHFFFAOYSA-N -1 3 421.881 4.493 20 5 HIBDHM Cc1ccc(-c2csc3[n-]c(Cn4cc([N+](=O)[O-])c(C5CC5)n4)nc(=O)c23)s1 ZINC000436200455 861501401 /nfs/dbraw/zinc/50/14/01/861501401.db2.gz FXUFMGLAABALIR-UHFFFAOYSA-N -1 3 413.484 4.464 20 5 HIBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000028660004 847441387 /nfs/dbraw/zinc/44/13/87/847441387.db2.gz RJTRMGZVBZNRSN-NRFANRHFSA-N -1 3 405.410 4.389 20 5 HIBDHM Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000436598629 861863819 /nfs/dbraw/zinc/86/38/19/861863819.db2.gz BKXUQHBPDNVVLN-FQEVSTJZSA-N -1 3 419.437 4.109 20 5 HIBDHM CCOc1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc(Cl)c1[O-] ZINC000436793535 861987478 /nfs/dbraw/zinc/98/74/78/861987478.db2.gz SFBLUEFYVLTEGL-GHXNOFRVSA-N -1 3 413.817 4.007 20 5 HIBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301101297 854296041 /nfs/dbraw/zinc/29/60/41/854296041.db2.gz QMTXGOAGGWZRAS-UHFFFAOYSA-N -1 3 410.257 4.462 20 5 HIBDHM COc1ccc(-c2nc(C)c(C(=O)[N-]c3cc([N+](=O)[O-])ccc3F)s2)cc1OC ZINC000302757539 854623139 /nfs/dbraw/zinc/62/31/39/854623139.db2.gz SLKCDJNGWBXSJI-UHFFFAOYSA-N -1 3 417.418 4.435 20 5 HIBDHM O=C([O-])[C@@H](CCCc1ccccc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426836029 856506314 /nfs/dbraw/zinc/50/63/14/856506314.db2.gz SQQLKYUYHFWKGG-LJQANCHMSA-N -1 3 411.483 4.284 20 5 HIBDHM Cc1ccc([C@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732136 863062188 /nfs/dbraw/zinc/06/21/88/863062188.db2.gz YYDUDPKFRNPZEG-HNAYVOBHSA-N -1 3 424.906 4.003 20 5 HIBDHM CC(=O)Nc1ccc(Cl)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446021369 869988872 /nfs/dbraw/zinc/98/88/72/869988872.db2.gz QBKWUFVXEPZGEQ-UHFFFAOYSA-N -1 3 418.656 4.283 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c(C(F)(F)F)c1 ZINC000446960723 870863101 /nfs/dbraw/zinc/86/31/01/870863101.db2.gz PKKUURRQCADXIX-MRXNPFEDSA-N -1 3 400.378 4.043 20 5 HIBDHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)c1nc(C(F)(F)F)cs1 ZINC000466860054 880630278 /nfs/dbraw/zinc/63/02/78/880630278.db2.gz VVLDQTVZZRQIBQ-LLVKDONJSA-N -1 3 423.438 4.117 20 5 HIBDHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000473630374 888370294 /nfs/dbraw/zinc/37/02/94/888370294.db2.gz NOPVWEVPKFUVMW-UHFFFAOYSA-N -1 3 415.858 4.430 20 5 HIBDHM O=C(NCc1ncccc1[O-])c1cccc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000473638017 888381117 /nfs/dbraw/zinc/38/11/17/888381117.db2.gz XRIANIQEYWQTMF-UHFFFAOYSA-N -1 3 415.858 4.430 20 5 HIBDHM COc1ccc(Sc2nsc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 ZINC000475060881 889905129 /nfs/dbraw/zinc/90/51/29/889905129.db2.gz ADZRTEJOIIPTNV-UHFFFAOYSA-N -1 3 402.457 4.167 20 5 HIBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000476168146 891097560 /nfs/dbraw/zinc/09/75/60/891097560.db2.gz RJVZRUKBEWHQIE-QMMMGPOBSA-N -1 3 404.728 4.379 20 5 HIBDHM COc1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)cc([N+](=O)[O-])c1C ZINC000484440761 899946564 /nfs/dbraw/zinc/94/65/64/899946564.db2.gz LDPXZWGKUDEZKZ-UHFFFAOYSA-N -1 3 416.484 4.405 20 5 HIBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1 ZINC000511738108 920411741 /nfs/dbraw/zinc/41/17/41/920411741.db2.gz OHVSIJBTSWBFLN-UHFFFAOYSA-N -1 3 412.402 4.078 20 5 HIBDHM Cc1sc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000511943236 920697192 /nfs/dbraw/zinc/69/71/92/920697192.db2.gz RYSAPLCRDHIQHJ-UHFFFAOYSA-N -1 3 423.903 4.159 20 5 HIBDHM O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520337481 928502253 /nfs/dbraw/zinc/50/22/53/928502253.db2.gz XEJGCTIRJDYWCV-UHFFFAOYSA-N -1 3 423.223 4.267 20 5 HIBDHM CCOc1cc([N-]C(=O)c2cnc(-c3ccncc3)s2)c([N+](=O)[O-])cc1OCC ZINC000525014279 929975136 /nfs/dbraw/zinc/97/51/36/929975136.db2.gz IIDAWJLVHSGUOD-UHFFFAOYSA-N -1 3 414.443 4.163 20 5 HIBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000545230721 940557502 /nfs/dbraw/zinc/55/75/02/940557502.db2.gz FGITYHHMWVBJFL-MRXNPFEDSA-N -1 3 412.489 4.233 20 5 HIBDHM CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000571834777 947798880 /nfs/dbraw/zinc/79/88/80/947798880.db2.gz OHIMRHMTXXUDAV-UHFFFAOYSA-N -1 3 417.849 4.012 20 5 HIBDHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c2=O ZINC000571905639 947809407 /nfs/dbraw/zinc/80/94/07/947809407.db2.gz XOWNGMUZXIMOAC-UHFFFAOYSA-N -1 3 413.405 4.134 20 5 HIBDHM COc1cc(CNc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c([N+](=O)[O-])cc1[O-] ZINC000574560442 948475123 /nfs/dbraw/zinc/47/51/23/948475123.db2.gz BTWSUTJYGAMWPU-UHFFFAOYSA-N -1 3 408.336 4.126 20 5 HIBDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc(=O)c2c1C ZINC000005666114 845133795 /nfs/dbraw/zinc/13/37/95/845133795.db2.gz CNCYIIUJHFBKMX-MRVPVSSYSA-N -1 3 407.835 4.081 20 5 HIBDHM COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000022018240 846521284 /nfs/dbraw/zinc/52/12/84/846521284.db2.gz JYNILCFHAWBWRS-NRFANRHFSA-N -1 3 421.409 4.089 20 5 HIBDHM COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000028659988 847441918 /nfs/dbraw/zinc/44/19/18/847441918.db2.gz HHYNBKVWAWQGCF-NRFANRHFSA-N -1 3 421.409 4.089 20 5 HIBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000029938484 847654930 /nfs/dbraw/zinc/65/49/30/847654930.db2.gz FQDLMVOACQRUBH-SECBINFHSA-N -1 3 408.785 4.307 20 5 HIBDHM CCOc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000030420661 847713883 /nfs/dbraw/zinc/71/38/83/847713883.db2.gz VKDUIMCZCAWBOG-OAQYLSRUSA-N -1 3 412.467 4.061 20 5 HIBDHM CC(C)CCSc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000045572075 848692706 /nfs/dbraw/zinc/69/27/06/848692706.db2.gz XPESXSQGIBIGQD-UHFFFAOYSA-N -1 3 403.386 4.122 20 5 HIBDHM CC(C)CCSc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000045572075 848692713 /nfs/dbraw/zinc/69/27/13/848692713.db2.gz XPESXSQGIBIGQD-UHFFFAOYSA-N -1 3 403.386 4.122 20 5 HIBDHM CCOc1ccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000046930917 848962512 /nfs/dbraw/zinc/96/25/12/848962512.db2.gz ILJVKJWTTOGYPV-UHFFFAOYSA-N -1 3 416.484 4.390 20 5 HIBDHM CC(=O)c1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000052427560 849580414 /nfs/dbraw/zinc/58/04/14/849580414.db2.gz ZABQRWBHUCPYJB-UHFFFAOYSA-N -1 3 417.849 4.012 20 5 HIBDHM Cc1nc(-c2ccccc2)sc1[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000053701264 849746504 /nfs/dbraw/zinc/74/65/04/849746504.db2.gz YSTKZTJCQWMZLV-CYBMUJFWSA-N -1 3 403.485 4.066 20 5 HIBDHM CCCCOc1ccc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000436989836 862166592 /nfs/dbraw/zinc/16/65/92/862166592.db2.gz SLDZHIUINWVMCW-UHFFFAOYSA-N -1 3 414.458 4.163 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2)n1 ZINC000117299254 853351684 /nfs/dbraw/zinc/35/16/84/853351684.db2.gz GIOQQHNVYGYNAV-UHFFFAOYSA-N -1 3 420.450 4.375 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCCSC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000301507917 854409495 /nfs/dbraw/zinc/40/94/95/854409495.db2.gz CAVAWXBBCCWVHQ-HNNXBMFYSA-N -1 3 421.544 4.320 20 5 HIBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(COc3ccccc3)cc2)s1 ZINC000302105092 854530885 /nfs/dbraw/zinc/53/08/85/854530885.db2.gz WZFJZORLRLDXDS-UHFFFAOYSA-N -1 3 404.469 4.382 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000314156043 855374839 /nfs/dbraw/zinc/37/48/39/855374839.db2.gz JLYZOFUXVXDTDG-UHFFFAOYSA-N -1 3 405.657 4.120 20 5 HIBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000425961083 856019865 /nfs/dbraw/zinc/01/98/65/856019865.db2.gz RLLREVFCLVGOEN-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000425961083 856019869 /nfs/dbraw/zinc/01/98/69/856019869.db2.gz RLLREVFCLVGOEN-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437656005 862992624 /nfs/dbraw/zinc/99/26/24/862992624.db2.gz PJKCRTPUDDNATP-UHFFFAOYSA-N -1 3 411.727 4.304 20 5 HIBDHM Cc1ccc([C@@H]2OCCC[C@H]2C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000437732138 863061495 /nfs/dbraw/zinc/06/14/95/863061495.db2.gz YYDUDPKFRNPZEG-KXBFYZLASA-N -1 3 424.906 4.003 20 5 HIBDHM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000443991045 868514678 /nfs/dbraw/zinc/51/46/78/868514678.db2.gz VDVXIQKBAVVTKM-AWEZNQCLSA-N -1 3 406.357 4.014 20 5 HIBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000464636418 877854201 /nfs/dbraw/zinc/85/42/01/877854201.db2.gz LOEIIQLMAZLLLF-UHFFFAOYSA-N -1 3 409.789 4.336 20 5 HIBDHM O=C(Nc1ccc(Oc2ccnc3ccccc32)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484825721 900227612 /nfs/dbraw/zinc/22/76/12/900227612.db2.gz YQTCDOFRCOEHRJ-UHFFFAOYSA-N -1 3 402.366 4.288 20 5 HIBDHM O=C([N-]c1nc(-c2ccc(OCc3ccccc3)cc2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000486195491 901380615 /nfs/dbraw/zinc/38/06/15/901380615.db2.gz PIAJNKMMLLCTSM-UHFFFAOYSA-N -1 3 421.438 4.273 20 5 HIBDHM CCCN(CCC)C(=O)c1ccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000512609549 921259697 /nfs/dbraw/zinc/25/96/97/921259697.db2.gz MYPWJVJJGMVCIQ-UHFFFAOYSA-N -1 3 401.463 4.183 20 5 HIBDHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1[N+](=O)[O-] ZINC000497865702 907343613 /nfs/dbraw/zinc/34/36/13/907343613.db2.gz BBTWBUZZUDDCQN-UHFFFAOYSA-N -1 3 402.831 4.284 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2)n1 ZINC000500348781 909804752 /nfs/dbraw/zinc/80/47/52/909804752.db2.gz WZRJBQIGRQUCBH-UHFFFAOYSA-N -1 3 404.382 4.318 20 5 HIBDHM Cc1ccc(-c2nc(C)c(C(=O)[N-]c3cc4c(cc3[N+](=O)[O-])OCCCO4)s2)o1 ZINC000512239962 920996399 /nfs/dbraw/zinc/99/63/99/920996399.db2.gz GQERDIONXVNXAO-UHFFFAOYSA-N -1 3 415.427 4.342 20 5 HIBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000532829069 931644704 /nfs/dbraw/zinc/64/47/04/931644704.db2.gz SNNNBFDOINPPEE-UHFFFAOYSA-N -1 3 424.284 4.458 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)c3ccon3)c([N+](=O)[O-])c2)c(C)c1 ZINC000540391633 939229709 /nfs/dbraw/zinc/22/97/09/939229709.db2.gz ZVEXJLULCMKPHZ-CQSZACIVSA-N -1 3 416.459 4.174 20 5 HIBDHM O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccccc1[N+](=O)[O-] ZINC000553308207 941864738 /nfs/dbraw/zinc/86/47/38/941864738.db2.gz KVDMCZOQGYILRI-UHFFFAOYSA-N -1 3 410.333 4.264 20 5 HIBDHM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000010316194 845644233 /nfs/dbraw/zinc/64/42/33/845644233.db2.gz FRZKNYHLWIJGOO-UHFFFAOYSA-N -1 3 419.463 4.368 20 5 HIBDHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010316182 845644368 /nfs/dbraw/zinc/64/43/68/845644368.db2.gz KZQDFCZHMYHPGW-JTQLQIEISA-N -1 3 419.463 4.448 20 5 HIBDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000030371514 847707417 /nfs/dbraw/zinc/70/74/17/847707417.db2.gz ABMDLQQUSDQPCB-LBPRGKRZSA-N -1 3 420.821 4.279 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(F)cc1F ZINC000050310339 849370671 /nfs/dbraw/zinc/37/06/71/849370671.db2.gz MVPJMQNMMVALAH-UHFFFAOYSA-N -1 3 419.365 4.035 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCc3ccoc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000052401755 849577541 /nfs/dbraw/zinc/57/75/41/849577541.db2.gz KMMVWMFXJRVJHP-UHFFFAOYSA-N -1 3 401.444 4.218 20 5 HIBDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301118776 854302218 /nfs/dbraw/zinc/30/22/18/854302218.db2.gz ZCEFBOLMZSZYDA-UHFFFAOYSA-N -1 3 410.257 4.462 20 5 HIBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(C(F)(F)F)ccc1Cl ZINC000426811141 856492440 /nfs/dbraw/zinc/49/24/40/856492440.db2.gz LBOGRAKVGPYMEG-AWEZNQCLSA-N -1 3 402.756 4.053 20 5 HIBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000467797468 881621446 /nfs/dbraw/zinc/62/14/46/881621446.db2.gz JPSBQNFAACIXIG-ZDUSSCGKSA-N -1 3 417.874 4.350 20 5 HIBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000438787452 864280292 /nfs/dbraw/zinc/28/02/92/864280292.db2.gz WDSBYZLTQBRGEK-UHFFFAOYSA-N -1 3 423.647 4.259 20 5 HIBDHM COc1cc(C(=O)[N-]c2nc(Sc3ccc(C)cc3)ns2)ccc1[N+](=O)[O-] ZINC000440321252 865593115 /nfs/dbraw/zinc/59/31/15/865593115.db2.gz SOJVLACZGQJWRR-UHFFFAOYSA-N -1 3 402.457 4.167 20 5 HIBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442260620 867295204 /nfs/dbraw/zinc/29/52/04/867295204.db2.gz ZLLJWNGCVXGKCP-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442260620 867295221 /nfs/dbraw/zinc/29/52/21/867295221.db2.gz ZLLJWNGCVXGKCP-UHFFFAOYSA-N -1 3 418.438 4.178 20 5 HIBDHM O=C(Nc1nc(C2CC2)c(Cc2ccccc2F)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445182833 869264048 /nfs/dbraw/zinc/26/40/48/869264048.db2.gz CYTWDHNLDHVKRN-UHFFFAOYSA-N -1 3 414.418 4.012 20 5 HIBDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000461119900 874045252 /nfs/dbraw/zinc/04/52/52/874045252.db2.gz BMFUYCYDUKWVJX-UHFFFAOYSA-N -1 3 405.657 4.120 20 5 HIBDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461162755 874123254 /nfs/dbraw/zinc/12/32/54/874123254.db2.gz UOVCGIZARQOJFK-UHFFFAOYSA-N -1 3 405.657 4.120 20 5 HIBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCC(C)(C)C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000462953325 875971083 /nfs/dbraw/zinc/97/10/83/875971083.db2.gz MRHKAUZSMCMEDN-UHFFFAOYSA-N -1 3 403.504 4.249 20 5 HIBDHM Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000469877939 884068854 /nfs/dbraw/zinc/06/88/54/884068854.db2.gz IONYITMUVQJVKT-UHFFFAOYSA-N -1 3 424.360 4.415 20 5 HIBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000474214027 889051932 /nfs/dbraw/zinc/05/19/32/889051932.db2.gz HQWUCWNLGKMAMH-ZDUSSCGKSA-N -1 3 417.874 4.350 20 5 HIBDHM COCCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000480628729 895996962 /nfs/dbraw/zinc/99/69/62/895996962.db2.gz APYXZHFSVPRWTK-INIZCTEOSA-N -1 3 412.895 4.085 20 5 HIBDHM O=C(Nc1ccccc1NC12CC3CC(CC(C3)C1)C2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485370606 900667851 /nfs/dbraw/zinc/66/78/51/900667851.db2.gz FOJAZFXEYFKHDC-UHFFFAOYSA-N -1 3 408.458 4.328 20 5 HIBDHM Cc1nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1Br ZINC000485914491 901140338 /nfs/dbraw/zinc/14/03/38/901140338.db2.gz NNKBMTUJLTWHNN-UHFFFAOYSA-N -1 3 421.070 4.137 20 5 HIBDHM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486426087 901585714 /nfs/dbraw/zinc/58/57/14/901585714.db2.gz DZPVAHJRDNEKIR-UHFFFAOYSA-N -1 3 422.279 4.183 20 5 HIBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000500575699 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O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCCCOC1CCCCC1 ZINC000554388402 942122418 /nfs/dbraw/zinc/12/24/18/942122418.db2.gz NEZMQPNOYDWBBI-UHFFFAOYSA-N -1 3 404.916 4.046 20 5 HIBDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc(=O)c2c1C ZINC000005355709 845105887 /nfs/dbraw/zinc/10/58/87/845105887.db2.gz LOTJKBMYXXKARM-QMMMGPOBSA-N -1 3 407.835 4.081 20 5 HIBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000028659974 847441561 /nfs/dbraw/zinc/44/15/61/847441561.db2.gz BKBFLAXFSMKQOS-JOCHJYFZSA-N -1 3 419.437 4.118 20 5 HIBDHM O=C(c1ccccc1[O-])N1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000436578827 861858561 /nfs/dbraw/zinc/85/85/61/861858561.db2.gz SORZMOBQXMSFJA-UHFFFAOYSA-N -1 3 410.257 4.324 20 5 HIBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436612075 861869490 /nfs/dbraw/zinc/86/94/90/861869490.db2.gz ZLHDBDQHRHQJOP-NRFANRHFSA-N -1 3 419.437 4.109 20 5 HIBDHM 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HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 ZINC000427172706 856689436 /nfs/dbraw/zinc/68/94/36/856689436.db2.gz SDKVWYUVMQCCSP-UHFFFAOYSA-N -1 3 411.365 4.206 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc(C)c(C)c2C(=O)c2ccc(C)cc2)n1 ZINC000427380027 856801983 /nfs/dbraw/zinc/80/19/83/856801983.db2.gz QHPXKTVUFGSPCC-UHFFFAOYSA-N -1 3 412.471 4.281 20 5 HIBDHM CCOc1cc([N-]C(=O)c2c(C)onc2-c2ccncc2)c([N+](=O)[O-])cc1OCC ZINC000428498429 857227165 /nfs/dbraw/zinc/22/71/65/857227165.db2.gz KHMWEHMRVYUMBB-UHFFFAOYSA-N -1 3 412.402 4.003 20 5 HIBDHM COC(=O)c1cc(Br)cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1Cl ZINC000440168775 865396192 /nfs/dbraw/zinc/39/61/92/865396192.db2.gz LKXKYLNFIJSWFG-UHFFFAOYSA-N -1 3 419.640 4.111 20 5 HIBDHM COC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1Cl ZINC000485476869 900770996 /nfs/dbraw/zinc/77/09/96/900770996.db2.gz QFHMLVKTSXYQIT-UHFFFAOYSA-N -1 3 419.640 4.111 20 5 HIBDHM 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HIBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000029938430 847655257 /nfs/dbraw/zinc/65/52/57/847655257.db2.gz RPIOQWFOCFSFDC-SECBINFHSA-N -1 3 419.684 4.050 20 5 HIBDHM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000064808350 851989577 /nfs/dbraw/zinc/98/95/77/851989577.db2.gz HBZPQGJMCLIQDI-UHFFFAOYSA-N -1 3 415.409 4.279 20 5 HIBDHM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064867811 852009631 /nfs/dbraw/zinc/00/96/31/852009631.db2.gz KIXXMSRAMOUNIS-UHFFFAOYSA-N -1 3 423.479 4.413 20 5 HIBDHM COc1ccc([C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])cc1F ZINC000426799118 856485954 /nfs/dbraw/zinc/48/59/54/856485954.db2.gz KCNICCJVXJEPEX-LJQANCHMSA-N -1 3 416.430 4.387 20 5 HIBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 ZINC000427367551 856797706 /nfs/dbraw/zinc/79/77/06/856797706.db2.gz SVXRCINJXQJSHN-UHFFFAOYSA-N -1 3 403.398 4.386 20 5 HIBDHM 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ZINC000479463781 894785549 /nfs/dbraw/zinc/78/55/49/894785549.db2.gz MOZWBEUOBZHITJ-UHFFFAOYSA-N -1 3 408.336 4.126 20 5 HIBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1[N+](=O)[O-] ZINC000481066916 896386770 /nfs/dbraw/zinc/38/67/70/896386770.db2.gz AZBLYVGGXVZJCU-CQSZACIVSA-N -1 3 402.394 4.184 20 5 HIBDHM COc1cc(C(=O)[N-]c2nnc(SCc3cccs3)s2)cc([N+](=O)[O-])c1C ZINC000484179100 899796228 /nfs/dbraw/zinc/79/62/28/899796228.db2.gz QAWADZYWRVSFBX-UHFFFAOYSA-N -1 3 422.513 4.369 20 5 HIBDHM COc1cc(CNc2ccc(Oc3cccc(F)c3F)nc2)c([N+](=O)[O-])cc1[O-] ZINC000485961096 901179173 /nfs/dbraw/zinc/17/91/73/901179173.db2.gz AIRHAYUOCXLXLI-UHFFFAOYSA-N -1 3 403.341 4.387 20 5 HIBDHM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(Cl)cc1F ZINC000507581559 916336999 /nfs/dbraw/zinc/33/69/99/916336999.db2.gz SYZAUFOGAJJWIZ-UHFFFAOYSA-N -1 3 423.647 4.259 20 5 HIBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)cc(Br)c1F ZINC000526080043 930521574 /nfs/dbraw/zinc/52/15/74/930521574.db2.gz 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Cc1c(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000436608793 861868415 /nfs/dbraw/zinc/86/84/15/861868415.db2.gz PUNAQHJFDMZACW-HXUWFJFHSA-N -1 3 419.437 4.109 20 5 HIBDHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000436950010 862127690 /nfs/dbraw/zinc/12/76/90/862127690.db2.gz NJBDXKGBCVEMIH-UHFFFAOYSA-N -1 3 419.437 4.055 20 5 HIBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 ZINC000110093893 853058992 /nfs/dbraw/zinc/05/89/92/853058992.db2.gz VGUKMVWIFTXBGQ-CQSZACIVSA-N -1 3 420.878 4.068 20 5 HIBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cc(F)c(N3CCCCC3)c(F)c2)s1 ZINC000302062622 854524411 /nfs/dbraw/zinc/52/44/11/854524411.db2.gz CWHJEKKQSNRWTC-UHFFFAOYSA-N -1 3 417.459 4.072 20 5 HIBDHM CCOc1cc([N-]C(=O)c2cc(F)c(F)c(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000302889219 854667270 /nfs/dbraw/zinc/66/72/70/854667270.db2.gz BPEVFWFDFLDNSJ-UHFFFAOYSA-N -1 3 402.300 4.201 20 5 HIBDHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433169268 859551422 /nfs/dbraw/zinc/55/14/22/859551422.db2.gz WEZHOWTWTDTHHD-UHFFFAOYSA-N -1 3 423.647 4.259 20 5 HIBDHM O=c1nc(CN2CCc3ccc([N+](=O)[O-])cc3C2)[n-]c2scc(-c3ccco3)c21 ZINC000438522244 863948373 /nfs/dbraw/zinc/94/83/73/863948373.db2.gz FVTIOGUODZAQCB-UHFFFAOYSA-N -1 3 408.439 4.123 20 5 HIBDHM COc1cc(C(=O)[N-]c2nc(-c3ccc(SC)cc3)ns2)ccc1[N+](=O)[O-] ZINC000440465343 865769627 /nfs/dbraw/zinc/76/96/27/865769627.db2.gz CSIVWKXABPSDSM-UHFFFAOYSA-N -1 3 402.457 4.096 20 5 HIBDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000440944603 866039371 /nfs/dbraw/zinc/03/93/71/866039371.db2.gz XHELOFNGYXPCIR-UHFFFAOYSA-N -1 3 423.454 4.111 20 5 HIBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1c(F)cc(Br)cc1F ZINC000445814275 869836505 /nfs/dbraw/zinc/83/65/05/869836505.db2.gz UMGYXDNDKSIUGY-UHFFFAOYSA-N -1 3 423.116 4.489 20 5 HIBDHM C[C@@H](SCCn1cc([N+](=O)[O-])cn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000448062272 871889435 /nfs/dbraw/zinc/88/94/35/871889435.db2.gz AJRXCFRJTYRWHN-SNVBAGLBSA-N -1 3 417.472 4.256 20 5 HIBDHM COc1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)cc([N+](=O)[O-])c1C ZINC000478635693 893888484 /nfs/dbraw/zinc/88/84/84/893888484.db2.gz WGELNFDILZOULW-UHFFFAOYSA-N -1 3 416.484 4.308 20 5 HIBDHM COc1cc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)ccc1[N+](=O)[O-] ZINC000478776659 894052170 /nfs/dbraw/zinc/05/21/70/894052170.db2.gz YKCBRRWFEGUMMU-UHFFFAOYSA-N -1 3 408.798 4.167 20 5 HIBDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000479468505 894791786 /nfs/dbraw/zinc/79/17/86/894791786.db2.gz NIMXMENREUULIS-UHFFFAOYSA-N -1 3 411.867 4.096 20 5 HIBDHM O=C([N-]c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000483248852 898891766 /nfs/dbraw/zinc/89/17/66/898891766.db2.gz XJWMZZVWZKHUTO-UHFFFAOYSA-N -1 3 403.423 4.265 20 5 HIBDHM CCCCc1nc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(C(=O)OCC)[n-]1 ZINC000485701635 900950482 /nfs/dbraw/zinc/95/04/82/900950482.db2.gz LMEQPLNIHNUEIZ-UHFFFAOYSA-N -1 3 408.842 4.051 20 5 HIBDHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000486102062 901288967 /nfs/dbraw/zinc/28/89/67/901288967.db2.gz HTJNIDCURKTVJI-SNAWJCMRSA-N -1 3 411.336 4.088 20 5 HIBDHM O=C([N-]c1cc(F)cc(Br)c1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489386470 903357742 /nfs/dbraw/zinc/35/77/42/903357742.db2.gz GOORAOBCDBNRCQ-UHFFFAOYSA-N -1 3 423.116 4.489 20 5 HIBDHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000512294071 921050791 /nfs/dbraw/zinc/05/07/91/921050791.db2.gz HTYAUMJPNKLFJF-UHFFFAOYSA-N -1 3 422.626 4.048 20 5 HIBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542568021 939844731 /nfs/dbraw/zinc/84/47/31/939844731.db2.gz DPNYNUNJBPEVIE-UHFFFAOYSA-N -1 3 424.486 4.310 20 5 HIBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000542568021 939844732 /nfs/dbraw/zinc/84/47/32/939844732.db2.gz DPNYNUNJBPEVIE-UHFFFAOYSA-N -1 3 424.486 4.310 20 5 HIBDHM O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2c1cnn2-c1ccccc1 ZINC000542938733 939882484 /nfs/dbraw/zinc/88/24/84/939882484.db2.gz SYFWGSLJEUPEMT-UHFFFAOYSA-N -1 3 413.846 4.375 20 5 HIBDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000322851123 855393123 /nfs/dbraw/zinc/39/31/23/855393123.db2.gz PJNBTLCXBOBNQW-UHFFFAOYSA-N -1 3 419.684 4.428 20 5 HIBDHM Cc1ccccc1C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000426639763 856388076 /nfs/dbraw/zinc/38/80/76/856388076.db2.gz OTHZCVTYSWCKES-QGZVFWFLSA-N -1 3 411.483 4.060 20 5 HIBDHM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000426771011 856469076 /nfs/dbraw/zinc/46/90/76/856469076.db2.gz YFYJWHRHDNLGAX-QFIPXVFZSA-N -1 3 422.437 4.098 20 5 HIBDHM COc1ccc([C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)[O-])cc1F ZINC000426799116 856485857 /nfs/dbraw/zinc/48/58/57/856485857.db2.gz KCNICCJVXJEPEX-IBGZPJMESA-N -1 3 416.430 4.387 20 5 HIBDHM COC(=O)c1sccc1[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447126836 871028638 /nfs/dbraw/zinc/02/86/38/871028638.db2.gz DSSFBDNRVROJTE-UHFFFAOYSA-N -1 3 412.423 4.274 20 5 HIBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000504092433 913001870 /nfs/dbraw/zinc/00/18/70/913001870.db2.gz NNBMZRJGDUQGMC-UHFFFAOYSA-N -1 3 401.473 4.263 20 5 HIBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000485047738 900381149 /nfs/dbraw/zinc/38/11/49/900381149.db2.gz HBGGGVYHUOCMHV-UHFFFAOYSA-N -1 3 422.513 4.166 20 5 HIBDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000487003283 902010236 /nfs/dbraw/zinc/01/02/36/902010236.db2.gz XJWQJROWFKGMLY-UHFFFAOYSA-N -1 3 417.468 4.112 20 5 HIBDHM CCOc1cccc2cc([C@@H](C)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)oc21 ZINC000511046353 919636733 /nfs/dbraw/zinc/63/67/33/919636733.db2.gz LXGGREUBLIDFNO-LLVKDONJSA-N -1 3 424.862 4.433 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)c(Cl)c1 ZINC000520028572 928251231 /nfs/dbraw/zinc/25/12/31/928251231.db2.gz KXDSNKAZXGFMCL-ZDUSSCGKSA-N -1 3 419.311 4.417 20 5 HIBDHM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC000520387835 928539851 /nfs/dbraw/zinc/53/98/51/928539851.db2.gz OYKURFNBGMDCIL-QMMMGPOBSA-N -1 3 415.627 4.122 20 5 HIBDHM CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c([O-])c1 ZINC000539357083 938847526 /nfs/dbraw/zinc/84/75/26/938847526.db2.gz RXDYFNMRYZUYLR-UHFFFAOYSA-N -1 3 404.444 4.230 20 5 HIBDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000570454684 947250901 /nfs/dbraw/zinc/25/09/01/947250901.db2.gz OIAKGIKPFVKOGD-UHFFFAOYSA-N -1 3 411.727 4.304 20 5 HIBDHM CCOc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)C)cc1OCC ZINC000016735570 846204132 /nfs/dbraw/zinc/20/41/32/846204132.db2.gz QYJDQFRBMSKUQY-HXUWFJFHSA-N -1 3 422.503 4.068 20 5 HIBDHM O=[N+]([O-])c1cccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1N1CCOCC1 ZINC000436605229 861866905 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OHPSXCKRPKXMQV-SZNDQCEHSA-N -1 3 410.426 4.415 20 5 HIBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccsc2Cl)cc1[N+](=O)[O-] ZINC000437669902 863011464 /nfs/dbraw/zinc/01/14/64/863011464.db2.gz FHPFXCIXFYZLRV-UHFFFAOYSA-N -1 3 411.686 4.181 20 5 HIBDHM O=C(Nc1cccc(Oc2ccnc3ccccc32)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445012072 869163840 /nfs/dbraw/zinc/16/38/40/869163840.db2.gz QVZFBJXTDWDDAZ-UHFFFAOYSA-N -1 3 402.366 4.288 20 5 HIBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c(C(F)(F)F)c1 ZINC000446948691 870856936 /nfs/dbraw/zinc/85/69/36/870856936.db2.gz PZOQAJHMCSLRSB-CYBMUJFWSA-N -1 3 418.418 4.129 20 5 HIBDHM COc1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc([N+](=O)[O-])c1C ZINC000480500146 895869666 /nfs/dbraw/zinc/86/96/66/895869666.db2.gz KTWLUSZMCQSJPQ-UHFFFAOYSA-N -1 3 410.411 4.429 20 5 HIBDHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2cccc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000483605300 899257312 /nfs/dbraw/zinc/25/73/12/899257312.db2.gz WUJOXCMKOGLSNY-UHFFFAOYSA-N -1 3 415.789 4.251 20 5 HIBDHM Cc1cc(Br)cnc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000486323794 901500924 /nfs/dbraw/zinc/50/09/24/901500924.db2.gz MAPMQZCJTYXLIP-UHFFFAOYSA-N -1 3 421.070 4.137 20 5 HIBDHM CCSCc1ccnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000486465616 901626221 /nfs/dbraw/zinc/62/62/21/901626221.db2.gz WTCUFDRVMLMPCR-UHFFFAOYSA-N -1 3 402.295 4.319 20 5 HIBDHM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489861145 903636405 /nfs/dbraw/zinc/63/64/05/903636405.db2.gz UAOFVWURAXTEHD-UHFFFAOYSA-N -1 3 400.334 4.072 20 5 HIBDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)CCCC2)n1 ZINC000497375847 906863767 /nfs/dbraw/zinc/86/37/67/906863767.db2.gz DEEJZTSHAPUGPY-UHFFFAOYSA-N -1 3 415.924 4.069 20 5 HIBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(SC)ccc3[N+](=O)[O-])c2)n1 ZINC000500330531 909790622 /nfs/dbraw/zinc/79/06/22/909790622.db2.gz IJQZDDUOOAOPDU-UHFFFAOYSA-N -1 3 410.455 4.294 20 5 HIBDHM Cc1nc(-c2ccccc2)sc1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000507299957 916064481 /nfs/dbraw/zinc/06/44/81/916064481.db2.gz NGXSXRGIAZYDNB-GFCCVEGCSA-N -1 3 421.475 4.205 20 5 HIBDHM Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000507896646 916757971 /nfs/dbraw/zinc/75/79/71/916757971.db2.gz XOCPRRKTFYJLQP-CYBMUJFWSA-N -1 3 406.357 4.014 20 5 HIBDHM Cc1c(Br)c(NCc2ccc([O-])c(Br)c2)ncc1[N+](=O)[O-] ZINC000542508027 939834542 /nfs/dbraw/zinc/83/45/42/939834542.db2.gz VNHPXSRJSVKUMG-UHFFFAOYSA-N -1 3 417.057 4.141 20 5 HIBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)nn1C ZINC000569952875 947050810 /nfs/dbraw/zinc/05/08/10/947050810.db2.gz VESKQNMECDHZNS-UHFFFAOYSA-N -1 3 403.851 4.089 20 5 HIBDHM CC(=O)c1cc(F)c([N-]C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c(F)c1 ZINC000573824252 948302884 /nfs/dbraw/zinc/30/28/84/948302884.db2.gz OGABMVBQXIYWBA-UHFFFAOYSA-N -1 3 413.174 4.399 20 5 HIBDHM