smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000555843346 939302913 /nfs/dbraw/zinc/30/29/13/939302913.db2.gz GQLXAGXWAILETE-LJQANCHMSA-N -1 0 393.399 3.416 10 5 GGBERM Cc1ccc([C@@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000564711593 939345557 /nfs/dbraw/zinc/34/55/57/939345557.db2.gz NDEUVQJMKMNLTH-BLVKFPJESA-N -1 0 389.383 3.403 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871363 939803906 /nfs/dbraw/zinc/80/39/06/939803906.db2.gz BJSWSBSVZFRBOI-CKFHNAJUSA-N -1 0 390.342 3.093 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871362 939803921 /nfs/dbraw/zinc/80/39/21/939803921.db2.gz BJSWSBSVZFRBOI-BIENJYKASA-N -1 0 390.342 3.093 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872198 939803929 /nfs/dbraw/zinc/80/39/29/939803929.db2.gz DDQONVNYBCNUBZ-WTOJCKNJSA-N -1 0 390.342 3.093 10 5 GGBERM CC(C)Oc1ccccc1CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873131 939804205 /nfs/dbraw/zinc/80/42/05/939804205.db2.gz GXPQIRNXKWHXPL-HXUWFJFHSA-N -1 0 386.404 3.041 10 5 GGBERM CCCc1nc(C)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC000600872735 939804389 /nfs/dbraw/zinc/80/43/89/939804389.db2.gz ASXCYXYZQNEPMI-KRWDZBQOSA-N -1 0 377.422 3.042 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872994 939804409 /nfs/dbraw/zinc/80/44/09/939804409.db2.gz FOACDGDXQOIKOB-STZQEDGTSA-N -1 0 394.427 3.305 10 5 GGBERM CCOc1ccccc1CCC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873999 939804589 /nfs/dbraw/zinc/80/45/89/939804589.db2.gz IADVUXATNSXKHL-HXUWFJFHSA-N -1 0 386.404 3.042 10 5 GGBERM CC(C)(C)c1nc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cs1 ZINC000600873887 939804601 /nfs/dbraw/zinc/80/46/01/939804601.db2.gz HFOKRLPRFFZQBM-KRWDZBQOSA-N -1 0 377.422 3.079 10 5 GGBERM COc1ccc([C@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600873919 939804683 /nfs/dbraw/zinc/80/46/83/939804683.db2.gz HHXNNIURQSHPTR-ZUOKHONESA-N -1 0 386.404 3.213 10 5 GGBERM CC[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000600874631 939804915 /nfs/dbraw/zinc/80/49/15/939804915.db2.gz JTARRKHAAPQEGE-YLJYHZDGSA-N -1 0 386.404 3.213 10 5 GGBERM C[C@@H](OC1CCCCCC1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600874689 939805193 /nfs/dbraw/zinc/80/51/93/939805193.db2.gz JZZULPJPXAVXFZ-YJYMSZOUSA-N -1 0 378.425 3.139 10 5 GGBERM C[C@](NC(=O)CCCOc1cccc(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877094 939805816 /nfs/dbraw/zinc/80/58/16/939805816.db2.gz RKQQRSQMUDDKJN-LJQANCHMSA-N -1 0 390.367 3.009 10 5 GGBERM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000600877804 939806418 /nfs/dbraw/zinc/80/64/18/939806418.db2.gz UXMUSFYDLDTPOV-NSPYISDASA-N -1 0 392.358 3.483 10 5 GGBERM C[C@H](CCOc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879862 939806453 /nfs/dbraw/zinc/80/64/53/939806453.db2.gz XKBJHPDQWXEBFB-VLIAUNLRSA-N -1 0 386.404 3.116 10 5 GGBERM COc1cccc([C@@H](C)CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600880481 939806760 /nfs/dbraw/zinc/80/67/60/939806760.db2.gz ZVQDAYOQEFXYRU-RBZFPXEDSA-N -1 0 386.404 3.213 10 5 GGBERM CSc1ccc(CNC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000604534219 939807403 /nfs/dbraw/zinc/80/74/03/939807403.db2.gz CAMUZGSYKRKIMH-GOSISDBHSA-N -1 0 389.433 3.116 10 5 GGBERM C[C@](NC(=O)NCc1ccc(Cl)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000604534349 939807702 /nfs/dbraw/zinc/80/77/02/939807702.db2.gz ZWOJNYXMSGNJRN-QGZVFWFLSA-N -1 0 377.784 3.047 10 5 GGBERM C[C@@](NC(=O)NCc1ccc(Cl)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000604534348 939807743 /nfs/dbraw/zinc/80/77/43/939807743.db2.gz ZWOJNYXMSGNJRN-KRWDZBQOSA-N -1 0 377.784 3.047 10 5 GGBERM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000004865351 204084762 /nfs/dbraw/zinc/08/47/62/204084762.db2.gz PWTLJBQZYZAQFI-UHFFFAOYSA-N -1 0 397.840 3.187 10 5 GGBERM O=C([O-])c1ccccc1NC=C1N=C(C=Cc2cccc([N+](=O)[O-])c2)OC1=O ZINC000004644349 204059882 /nfs/dbraw/zinc/05/98/82/204059882.db2.gz ZVTZDSJWQIUOBR-CEKJNPHKSA-N -1 0 379.328 3.215 10 5 GGBERM O=C(c1cnn(-c2ccccc2[N+](=O)[O-])c1)c1cc(Br)ccc1[O-] ZINC000002645846 564188829 /nfs/dbraw/zinc/18/88/29/564188829.db2.gz HPVXGKLWYBTZOS-UHFFFAOYSA-N -1 0 388.177 3.480 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c([N+](=O)[O-])c1 ZINC000028196192 564360768 /nfs/dbraw/zinc/36/07/68/564360768.db2.gz ODWJSPQHHBGNIV-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000122023924 564397363 /nfs/dbraw/zinc/39/73/63/564397363.db2.gz FMOMROVWGISKJA-SNVBAGLBSA-N -1 0 380.369 3.108 10 5 GGBERM COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032587588 564402851 /nfs/dbraw/zinc/40/28/51/564402851.db2.gz HHVOAIOHUNLGDS-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)s1 ZINC000122566290 564419099 /nfs/dbraw/zinc/41/90/99/564419099.db2.gz WGUPROAANOQXIU-UHFFFAOYSA-N -1 0 386.361 3.125 10 5 GGBERM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000055583183 564624168 /nfs/dbraw/zinc/62/41/68/564624168.db2.gz DZBITIQVWANZMU-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM CC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)sc2c1 ZINC000063911733 564725345 /nfs/dbraw/zinc/72/53/45/564725345.db2.gz AOVSMFWFKQFTPD-UHFFFAOYSA-N -1 0 398.447 3.025 10 5 GGBERM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000145543316 564879689 /nfs/dbraw/zinc/87/96/89/564879689.db2.gz FMMNLCWSPIYNEP-UHFFFAOYSA-N -1 0 384.797 3.226 10 5 GGBERM CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000106233447 564980304 /nfs/dbraw/zinc/98/03/04/564980304.db2.gz BBYZZEMBKMAXMW-UHFFFAOYSA-N -1 0 388.804 3.265 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)s1 ZINC000156379199 565084201 /nfs/dbraw/zinc/08/42/01/565084201.db2.gz ZOCMVAKOOIKAGE-UHFFFAOYSA-N -1 0 399.194 3.498 10 5 GGBERM C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183900504 565102808 /nfs/dbraw/zinc/10/28/08/565102808.db2.gz WGYTUPFUANRORD-SECBINFHSA-N -1 0 381.182 3.469 10 5 GGBERM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1C ZINC000292746628 565131837 /nfs/dbraw/zinc/13/18/37/565131837.db2.gz HRAUMVDXOBHUPT-NSHDSACASA-N -1 0 395.384 3.250 10 5 GGBERM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCc1ccccc1O ZINC000159651797 565214184 /nfs/dbraw/zinc/21/41/84/565214184.db2.gz WTUHEXCEZTTWMO-UHFFFAOYSA-N -1 0 391.232 3.128 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000186277279 565251082 /nfs/dbraw/zinc/25/10/82/565251082.db2.gz QZPKTYPDHYSLFG-JTQLQIEISA-N -1 0 380.369 3.281 10 5 GGBERM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2cccc(Br)c2C1 ZINC000186678036 565276923 /nfs/dbraw/zinc/27/69/23/565276923.db2.gz LSMWIWNEYRIBDI-UHFFFAOYSA-N -1 0 377.194 3.261 10 5 GGBERM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296954829 565347713 /nfs/dbraw/zinc/34/77/13/565347713.db2.gz HICRVKCCSCMMSJ-UHFFFAOYSA-N -1 0 394.236 3.239 10 5 GGBERM COc1ccc(Br)cc1CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166139703 565373060 /nfs/dbraw/zinc/37/30/60/565373060.db2.gz REBKKZBZXXFYSF-UHFFFAOYSA-N -1 0 381.182 3.253 10 5 GGBERM O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375809554 565406780 /nfs/dbraw/zinc/40/67/80/565406780.db2.gz SZPYVLKUMLQNRE-LBPRGKRZSA-N -1 0 397.156 3.066 10 5 GGBERM Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000171150833 565414236 /nfs/dbraw/zinc/41/42/36/565414236.db2.gz JUBHJAVXMIJYBS-UHFFFAOYSA-N -1 0 384.464 3.072 10 5 GGBERM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)cc1C ZINC000392669088 565565714 /nfs/dbraw/zinc/56/57/14/565565714.db2.gz XKQQONYVVKYWFF-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000174262500 565626105 /nfs/dbraw/zinc/62/61/05/565626105.db2.gz XONQQGYESDHDJK-QHCPKHFHSA-N -1 0 388.854 3.095 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)N[C@@H](C)CCC[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327254533 565628982 /nfs/dbraw/zinc/62/89/82/565628982.db2.gz ZGYCODWPYWGVDM-UWVGGRQHSA-N -1 0 392.861 3.114 10 5 GGBERM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414380269 565919649 /nfs/dbraw/zinc/91/96/49/565919649.db2.gz IMEJLFCBXXBQKA-UHFFFAOYSA-N -1 0 379.316 3.273 10 5 GGBERM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2cccc(Br)c2C1 ZINC000182029015 566179572 /nfs/dbraw/zinc/17/95/72/566179572.db2.gz XTYZCDSRQGCION-UHFFFAOYSA-N -1 0 377.194 3.261 10 5 GGBERM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182567650 566211937 /nfs/dbraw/zinc/21/19/37/566211937.db2.gz PXMVGVMKSRJVQV-UHFFFAOYSA-N -1 0 385.833 3.146 10 5 GGBERM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)ccc1Cl ZINC000182566380 566212064 /nfs/dbraw/zinc/21/20/64/566212064.db2.gz LPESYTZEBDYIDR-UHFFFAOYSA-N -1 0 385.833 3.146 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)s1 ZINC000599414475 566262017 /nfs/dbraw/zinc/26/20/17/566262017.db2.gz FDFPUELQPUGMAK-LLVKDONJSA-N -1 0 376.406 3.201 10 5 GGBERM COc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Br ZINC000509194342 566274761 /nfs/dbraw/zinc/27/47/61/566274761.db2.gz GYGBGFYWLDBGQY-UHFFFAOYSA-N -1 0 381.182 3.002 10 5 GGBERM O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC(F)(F)CC1 ZINC000575807537 566286459 /nfs/dbraw/zinc/28/64/59/566286459.db2.gz UUJQMGWMJGUHCW-UHFFFAOYSA-N -1 0 376.743 3.078 10 5 GGBERM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000556350929 566288280 /nfs/dbraw/zinc/28/82/80/566288280.db2.gz DKDBWRJZVRPCDI-UHFFFAOYSA-N -1 0 399.222 3.361 10 5 GGBERM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462410666 566297944 /nfs/dbraw/zinc/29/79/44/566297944.db2.gz VPPFFRPRDNAMKM-SECBINFHSA-N -1 0 388.804 3.435 10 5 GGBERM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715926 566308116 /nfs/dbraw/zinc/30/81/16/566308116.db2.gz BMIGSOUIWLZPEW-UWVGGRQHSA-N -1 0 383.253 3.138 10 5 GGBERM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715929 566308381 /nfs/dbraw/zinc/30/83/81/566308381.db2.gz BMIGSOUIWLZPEW-ZJUUUORDSA-N -1 0 383.253 3.138 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000556571123 566315100 /nfs/dbraw/zinc/31/51/00/566315100.db2.gz TYFGWOJOXXRDPI-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM Cc1c(Br)cc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)cc1[N+](=O)[O-] ZINC000600227785 566326698 /nfs/dbraw/zinc/32/66/98/566326698.db2.gz MYZCMIUWAPIBSL-UHFFFAOYSA-N -1 0 397.254 3.243 10 5 GGBERM CC1(c2nc(=NC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])s[n-]2)CC1 ZINC000600228307 566326975 /nfs/dbraw/zinc/32/69/75/566326975.db2.gz UWGZUWKHEJAIIM-UHFFFAOYSA-N -1 0 384.870 3.304 10 5 GGBERM CCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000535989726 566342897 /nfs/dbraw/zinc/34/28/97/566342897.db2.gz ZVJYKPUFNBGZDX-UHFFFAOYSA-N -1 0 388.833 3.053 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c[nH]nc2-c2nccs2)cc1[N+](=O)[O-] ZINC000446956879 566373442 /nfs/dbraw/zinc/37/34/42/566373442.db2.gz JGYBQBDRHDLMTM-UHFFFAOYSA-N -1 0 399.841 3.204 10 5 GGBERM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1=Cc2cc(Br)ccc2OC1 ZINC000483443287 566384114 /nfs/dbraw/zinc/38/41/14/566384114.db2.gz LRPPCJIINHFKLJ-UHFFFAOYSA-N -1 0 391.177 3.477 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1[N+](=O)[O-] ZINC000484441050 566429335 /nfs/dbraw/zinc/42/93/35/566429335.db2.gz NSTLVQINGJWIGR-UHFFFAOYSA-N -1 0 384.776 3.373 10 5 GGBERM COc1cc(CSc2n[n-]c(=NCC(F)(F)F)s2)ccc1[N+](=O)[O-] ZINC000484546917 566435357 /nfs/dbraw/zinc/43/53/57/566435357.db2.gz ZGZCTLGOFLJONM-UHFFFAOYSA-N -1 0 380.373 3.143 10 5 GGBERM CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448012989 566455191 /nfs/dbraw/zinc/45/51/91/566455191.db2.gz SLEKHZUOSMVJHI-UHFFFAOYSA-N -1 0 375.435 3.261 10 5 GGBERM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485223717 566485167 /nfs/dbraw/zinc/48/51/67/566485167.db2.gz OGAPJAMRBYXWNK-AWEZNQCLSA-N -1 0 393.193 3.221 10 5 GGBERM CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)s1 ZINC000486013649 566548808 /nfs/dbraw/zinc/54/88/08/566548808.db2.gz FCYGTGMEWXJXMM-UHFFFAOYSA-N -1 0 384.435 3.115 10 5 GGBERM O=C(NC1(c2cccc(Br)c2)CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539431866 566582205 /nfs/dbraw/zinc/58/22/05/566582205.db2.gz CSEJCSVPTWFCGG-UHFFFAOYSA-N -1 0 377.194 3.482 10 5 GGBERM Nc1c(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cccc1[N+](=O)[O-] 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CC(C)(C)c1nc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cs1 ZINC000600871355 939803671 /nfs/dbraw/zinc/80/36/71/939803671.db2.gz BEGJIGCTKXBFFA-GOSISDBHSA-N -1 0 391.449 3.008 10 5 GGBERM C[C@](NC(=O)[C@@H]1C[C@]12CCCc1ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872992 939804190 /nfs/dbraw/zinc/80/41/90/939804190.db2.gz FOACDGDXQOIKOB-BWAGFHJFSA-N -1 0 394.427 3.305 10 5 GGBERM C[C@](NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873081 939804366 /nfs/dbraw/zinc/80/43/66/939804366.db2.gz GEJQOWSATDQXLI-ZBQZNYHESA-N -1 0 390.342 3.093 10 5 GGBERM COc1ccc([C@@H](C)CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600873915 939804584 /nfs/dbraw/zinc/80/45/84/939804584.db2.gz HHXNNIURQSHPTR-RNODOKPDSA-N -1 0 386.404 3.213 10 5 GGBERM CCc1ccc(C(=O)CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600874726 939804926 /nfs/dbraw/zinc/80/49/26/939804926.db2.gz KLKUMZOTLWAEMA-OAQYLSRUSA-N -1 0 398.415 3.236 10 5 GGBERM CC[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000600874629 939805089 /nfs/dbraw/zinc/80/50/89/939805089.db2.gz JTARRKHAAPQEGE-XLIONFOSSA-N -1 0 386.404 3.213 10 5 GGBERM C[C@](NC(=O)CCCc1cc(F)ccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876351 939805347 /nfs/dbraw/zinc/80/53/47/939805347.db2.gz PZRHSWBREZQYET-LJQANCHMSA-N -1 0 392.358 3.312 10 5 GGBERM C[C@@H](CCc1ccccc1F)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876360 939805504 /nfs/dbraw/zinc/80/55/04/939805504.db2.gz QEHUKQIEQAAQKW-RBZFPXEDSA-N -1 0 388.395 3.419 10 5 GGBERM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000600879018 939806554 /nfs/dbraw/zinc/80/65/54/939806554.db2.gz UXMUSFYDLDTPOV-WLRWDXFRSA-N -1 0 392.358 3.483 10 5 GGBERM C[C@@H](CCOc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879863 939806574 /nfs/dbraw/zinc/80/65/74/939806574.db2.gz XKBJHPDQWXEBFB-XOBRGWDASA-N -1 0 386.404 3.116 10 5 GGBERM Cc1ccc(C)c(C(=O)CCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600880231 939806984 /nfs/dbraw/zinc/80/69/84/939806984.db2.gz YTWSUKUAQRDVOY-NRFANRHFSA-N -1 0 398.415 3.291 10 5 GGBERM C[C@](NC(=O)NCc1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000604534265 939807159 /nfs/dbraw/zinc/80/71/59/939807159.db2.gz KFFUEZBWJRMIJX-QGZVFWFLSA-N -1 0 377.784 3.047 10 5 GGBERM C[C@@](NC(=O)NCc1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000604534264 939807415 /nfs/dbraw/zinc/80/74/15/939807415.db2.gz KFFUEZBWJRMIJX-KRWDZBQOSA-N -1 0 377.784 3.047 10 5 GGBERM O=C([O-])c1cc(Br)cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000002513777 209367711 /nfs/dbraw/zinc/36/77/11/209367711.db2.gz VFHJKXXTBXIHMF-UHFFFAOYSA-N -1 0 393.105 3.175 10 5 GGBERM Cc1ccc([C@H]2CC(c3ccccc3[N+](=O)[O-])=NN2C(=O)CCC(=O)[O-])cc1 ZINC000240333485 211972149 /nfs/dbraw/zinc/97/21/49/211972149.db2.gz FDMYHNZKZLAZKE-GOSISDBHSA-N -1 0 381.388 3.446 10 5 GGBERM O=C([O-])c1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000095495448 211251237 /nfs/dbraw/zinc/25/12/37/211251237.db2.gz VRCVDFONSBZKEE-UHFFFAOYSA-N -1 0 390.417 3.135 10 5 GGBERM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000118302032 564239026 /nfs/dbraw/zinc/23/90/26/564239026.db2.gz GHZALZXYVASIRY-UHFFFAOYSA-N -1 0 383.813 3.032 10 5 GGBERM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000007708661 564239679 /nfs/dbraw/zinc/23/96/79/564239679.db2.gz WKHCQPNELWDYCK-UHFFFAOYSA-N -1 0 386.813 3.375 10 5 GGBERM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2cccc(Br)c2C1 ZINC000118943735 564248185 /nfs/dbraw/zinc/24/81/85/564248185.db2.gz SDNLLLASDNHKNL-UHFFFAOYSA-N -1 0 377.194 3.261 10 5 GGBERM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)c2)no1 ZINC000119094583 564254148 /nfs/dbraw/zinc/25/41/48/564254148.db2.gz CAEKMKGWNMCLKM-UHFFFAOYSA-N -1 0 380.407 3.124 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc(C)nc1CC(C)C ZINC000122500360 564416706 /nfs/dbraw/zinc/41/67/06/564416706.db2.gz DUSHHXTUGPMEBA-UHFFFAOYSA-N -1 0 385.467 3.368 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)s1 ZINC000066333460 564762504 /nfs/dbraw/zinc/76/25/04/564762504.db2.gz JRSPEBZMNBITDW-UHFFFAOYSA-N -1 0 384.332 3.293 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000108386204 565010883 /nfs/dbraw/zinc/01/08/83/565010883.db2.gz UNURYLXDUMLCPR-UHFFFAOYSA-N -1 0 376.312 3.423 10 5 GGBERM C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000155948792 565073280 /nfs/dbraw/zinc/07/32/80/565073280.db2.gz SBIDORMZBGNEHC-SECBINFHSA-N -1 0 381.182 3.469 10 5 GGBERM O=C(Cc1cccc(I)c1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183913282 565103300 /nfs/dbraw/zinc/10/33/00/565103300.db2.gz ZIEGXEPJQBSENS-UHFFFAOYSA-N -1 0 398.156 3.086 10 5 GGBERM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cnn(CCC(F)(F)F)c1 ZINC000183918339 565104812 /nfs/dbraw/zinc/10/48/12/565104812.db2.gz PECWSCPPVGGHKO-UHFFFAOYSA-N -1 0 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ZINC000191640562 565619234 /nfs/dbraw/zinc/61/92/34/565619234.db2.gz SSIIVCUDGPTUBP-UHFFFAOYSA-N -1 0 375.129 3.104 10 5 GGBERM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1C ZINC000326728475 565626401 /nfs/dbraw/zinc/62/64/01/565626401.db2.gz AJEGDEIBCXKEOD-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM Cc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C(=O)[O-] ZINC000327275676 565629470 /nfs/dbraw/zinc/62/94/70/565629470.db2.gz STEUXWRSAZQQFU-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000328008834 565634670 /nfs/dbraw/zinc/63/46/70/565634670.db2.gz WAKHLYVKUBLZSU-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2cccc(Br)c2C1 ZINC000178397476 565916728 /nfs/dbraw/zinc/91/67/28/565916728.db2.gz VHPBFUNJVWPYTG-UHFFFAOYSA-N -1 0 377.194 3.261 10 5 GGBERM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)n1 ZINC000225833481 565917325 /nfs/dbraw/zinc/91/73/25/565917325.db2.gz 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Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476958204 567361640 /nfs/dbraw/zinc/36/16/40/567361640.db2.gz MUEXHZTXMQRUEA-CYBMUJFWSA-N -1 0 382.825 3.277 10 5 GGBERM O=C([O-])[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1c1ccc(Br)cc1 ZINC000592984929 567375888 /nfs/dbraw/zinc/37/58/88/567375888.db2.gz WJIWWDJYGQSLHS-QWHCGFSZSA-N -1 0 392.209 3.057 10 5 GGBERM CN(C)S(=O)(=O)c1ccc(CSCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000593198760 567395009 /nfs/dbraw/zinc/39/50/09/567395009.db2.gz LWUFAWFPKYBDDM-UHFFFAOYSA-N -1 0 388.492 3.046 10 5 GGBERM CC(C)CCc1nc(CS(=O)(=O)Cc2cc([O-])ccc2[N+](=O)[O-])cs1 ZINC000593203626 567396686 /nfs/dbraw/zinc/39/66/86/567396686.db2.gz PUKCASCUOQIUEC-UHFFFAOYSA-N -1 0 384.479 3.461 10 5 GGBERM Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000619525376 567462194 /nfs/dbraw/zinc/46/21/94/567462194.db2.gz GYNMPNCBPTXPAC-QWRGUYRKSA-N -1 0 383.198 3.271 10 5 GGBERM COC(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1Br ZINC000436980647 567472109 /nfs/dbraw/zinc/47/21/09/567472109.db2.gz QUAIBVUTUSFKDC-UHFFFAOYSA-N -1 0 395.165 3.102 10 5 GGBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000551117205 567479633 /nfs/dbraw/zinc/47/96/33/567479633.db2.gz WAQNMWYKWPURLF-UHFFFAOYSA-N -1 0 393.165 3.436 10 5 GGBERM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C(F)(F)F)o1 ZINC000594481219 567479960 /nfs/dbraw/zinc/47/99/60/567479960.db2.gz JOSNFMMXKBNQFJ-LLVKDONJSA-N -1 0 384.357 3.448 10 5 GGBERM Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000594481838 567480191 /nfs/dbraw/zinc/48/01/91/567480191.db2.gz WAZZNSHASJVIEH-CYBMUJFWSA-N -1 0 378.328 3.387 10 5 GGBERM Cc1ccc([C@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(F)(F)F)o1 ZINC000594481799 567480551 /nfs/dbraw/zinc/48/05/51/567480551.db2.gz SZZJWEUPWLXKSM-ZDUSSCGKSA-N -1 0 378.328 3.219 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000437299468 567489463 /nfs/dbraw/zinc/48/94/63/567489463.db2.gz UTTOHHMHZZNXPY-UHFFFAOYSA-N -1 0 378.193 3.106 10 5 GGBERM Cc1sc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)c(C)c2)cc1[N+](=O)[O-] ZINC000594698906 567500546 /nfs/dbraw/zinc/50/05/46/567500546.db2.gz HSKMQOGMZQOIDK-UHFFFAOYSA-N -1 0 381.357 3.488 10 5 GGBERM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000594727105 567505179 /nfs/dbraw/zinc/50/51/79/567505179.db2.gz XLGWVPGURACQMU-UHFFFAOYSA-N -1 0 390.874 3.489 10 5 GGBERM CC(C)CCc1nnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000594726532 567505238 /nfs/dbraw/zinc/50/52/38/567505238.db2.gz PFEZDMCJKPFXTJ-UHFFFAOYSA-N -1 0 384.483 3.019 10 5 GGBERM C[C@@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)(c1ccccc1)C(F)(F)F ZINC000479170690 567511376 /nfs/dbraw/zinc/51/13/76/567511376.db2.gz WROBNDRHXGRPJL-GFCCVEGCSA-N -1 0 380.369 3.412 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000594779744 567512439 /nfs/dbraw/zinc/51/24/39/567512439.db2.gz SPJKNZYEGQTSQF-CQSZACIVSA-N -1 0 385.804 3.212 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000594784461 567513834 /nfs/dbraw/zinc/51/38/34/567513834.db2.gz ZBOUXMLADQAXOX-GXTWGEPZSA-N -1 0 381.841 3.258 10 5 GGBERM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852184 567520956 /nfs/dbraw/zinc/52/09/56/567520956.db2.gz OEXFFTWKPPHRJC-PSASIEDQSA-N -1 0 383.253 3.138 10 5 GGBERM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852186 567521317 /nfs/dbraw/zinc/52/13/17/567521317.db2.gz OEXFFTWKPPHRJC-WCBMZHEXSA-N -1 0 383.253 3.138 10 5 GGBERM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000438806188 567546764 /nfs/dbraw/zinc/54/67/64/567546764.db2.gz PCJTYUFMPNNNCV-UHFFFAOYSA-N -1 0 379.225 3.053 10 5 GGBERM O=C(N[C@@H]1C[C@H]1c1cccc(Br)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552217615 567568661 /nfs/dbraw/zinc/56/86/61/567568661.db2.gz VLSLXHGYXSEWHP-GXTWGEPZSA-N -1 0 377.194 3.349 10 5 GGBERM O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505930041 567604200 /nfs/dbraw/zinc/60/42/00/567604200.db2.gz KIYKYZYTYPQNIW-AWEZNQCLSA-N -1 0 393.193 3.317 10 5 GGBERM COCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000480602689 567615323 /nfs/dbraw/zinc/61/53/23/567615323.db2.gz BKJRBWZWFXCOOI-AWEZNQCLSA-N -1 0 384.479 3.493 10 5 GGBERM Cc1cc(I)cc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000553233953 567636441 /nfs/dbraw/zinc/63/64/41/567636441.db2.gz OEDHFZZFSORUCG-UHFFFAOYSA-N -1 0 398.156 3.466 10 5 GGBERM O=C(N[C@@H](CCO)c1ccc(Cl)c(Cl)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000553434567 567653802 /nfs/dbraw/zinc/65/38/02/567653802.db2.gz JEDFWFURJHXSAI-ZDUSSCGKSA-N -1 0 385.203 3.461 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000441388267 567662419 /nfs/dbraw/zinc/66/24/19/567662419.db2.gz SYEVQWXCPBIRDN-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM O=C(NCc1cc(F)c(F)cc1Br)c1cccc([O-])c1[N+](=O)[O-] ZINC000553585461 567669537 /nfs/dbraw/zinc/66/95/37/567669537.db2.gz BEXZKPRGEXBOKD-UHFFFAOYSA-N -1 0 387.136 3.271 10 5 GGBERM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2C)cn1 ZINC000507985555 567721010 /nfs/dbraw/zinc/72/10/10/567721010.db2.gz KRLFCBSSAVNCQF-UHFFFAOYSA-N -1 0 386.227 3.170 10 5 GGBERM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000508056357 567723770 /nfs/dbraw/zinc/72/37/70/567723770.db2.gz BSYASEDZRDHZDC-UHFFFAOYSA-N -1 0 380.382 3.053 10 5 GGBERM C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](CC(F)(F)F)O1 ZINC000598506110 567772552 /nfs/dbraw/zinc/77/25/52/567772552.db2.gz DNDIEQYFVQNRSW-VXNVDRBHSA-N -1 0 382.722 3.136 10 5 GGBERM Cc1noc2ncc([N-]S(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc12 ZINC000462107257 567773505 /nfs/dbraw/zinc/77/35/05/567773505.db2.gz ZTPMDBNSNWCMAL-UHFFFAOYSA-N -1 0 382.785 3.202 10 5 GGBERM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598621468 567780334 /nfs/dbraw/zinc/78/03/34/567780334.db2.gz GMZANPWDXWRQFL-ZCFIWIBFSA-N -1 0 375.180 3.225 10 5 GGBERM Cc1ccc(S(=O)(=O)[N-]c2nnc(CCC(C)C)s2)c(C)c1[N+](=O)[O-] ZINC000598734826 567787154 /nfs/dbraw/zinc/78/71/54/567787154.db2.gz ISIXNJDIQZUNGX-UHFFFAOYSA-N -1 0 384.483 3.453 10 5 GGBERM O=C(Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000170606053 570863452 /nfs/dbraw/zinc/86/34/52/570863452.db2.gz JGGFFBKBDZTDBO-UHFFFAOYSA-N -1 0 389.311 3.109 10 5 GGBERM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000009116328 1398854137 /nfs/dbraw/zinc/85/41/37/1398854137.db2.gz YZSAXIVHAVMMHS-UHFFFAOYSA-N -1 0 395.412 3.017 10 5 GGBERM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000121892535 1414293924 /nfs/dbraw/zinc/29/39/24/1414293924.db2.gz DIAXTTAZRTYFJP-OKILXGFUSA-N -1 0 391.449 3.009 10 5 GGBERM C[C@@H]1CN(c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000121892846 1414295216 /nfs/dbraw/zinc/29/52/16/1414295216.db2.gz DIAXTTAZRTYFJP-ZIAGYGMSSA-N -1 0 391.449 3.009 10 5 GGBERM Cc1ccc(C(=O)CCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC000864176271 939255520 /nfs/dbraw/zinc/25/55/20/939255520.db2.gz YBAAMWCJWFQQPU-NRFANRHFSA-N -1 0 398.415 3.291 10 5 GGBERM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000540668095 939289950 /nfs/dbraw/zinc/28/99/50/939289950.db2.gz MUVHOJYEHAUIOV-OAHLLOKOSA-N -1 0 396.758 3.342 10 5 GGBERM O=C([O-])[C@@H](NC(=O)NCCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000555843345 939303110 /nfs/dbraw/zinc/30/31/10/939303110.db2.gz GQLXAGXWAILETE-IBGZPJMESA-N -1 0 393.399 3.416 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873083 939804264 /nfs/dbraw/zinc/80/42/64/939804264.db2.gz GEJQOWSATDQXLI-ZUEVXXBESA-N -1 0 390.342 3.093 10 5 GGBERM C[C@@](NC(=O)c1cccc([C@H]2CCCOC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872522 939804308 /nfs/dbraw/zinc/80/43/08/939804308.db2.gz CUNJSXGTUJRHCW-KKSFZXQISA-N -1 0 398.415 3.219 10 5 GGBERM Cc1ccc(SCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000600873158 939804426 /nfs/dbraw/zinc/80/44/26/939804426.db2.gz HCOSPICPPYTHDU-LJQANCHMSA-N -1 0 388.445 3.420 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873984 939804663 /nfs/dbraw/zinc/80/46/63/939804663.db2.gz HWNALLPDDPFILG-ZRGWGRIASA-N -1 0 388.807 3.468 10 5 GGBERM CCc1ccc(C(=O)CCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600874725 939805121 /nfs/dbraw/zinc/80/51/21/939805121.db2.gz KLKUMZOTLWAEMA-NRFANRHFSA-N -1 0 398.415 3.236 10 5 GGBERM C[C@@H](CSc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875781 939805371 /nfs/dbraw/zinc/80/53/71/939805371.db2.gz NKLBLXMAGPCGCB-ORAYPTAESA-N -1 0 388.445 3.439 10 5 GGBERM C[C@H](CSc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875782 939805392 /nfs/dbraw/zinc/80/53/92/939805392.db2.gz NKLBLXMAGPCGCB-YJYMSZOUSA-N -1 0 388.445 3.439 10 5 GGBERM C[C@H](CSc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875779 939805462 /nfs/dbraw/zinc/80/54/62/939805462.db2.gz NKLBLXMAGPCGCB-BFUOFWGJSA-N -1 0 388.445 3.439 10 5 GGBERM CC[C@H](Oc1ccccc1C)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876244 939805561 /nfs/dbraw/zinc/80/55/61/939805561.db2.gz OSUCWGLZSOOTMA-JXFKEZNVSA-N -1 0 386.404 3.177 10 5 GGBERM CCOc1ccc(CCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600875809 939805581 /nfs/dbraw/zinc/80/55/81/939805581.db2.gz OFIUIILFVRTMQN-FQEVSTJZSA-N -1 0 386.404 3.042 10 5 GGBERM Cc1nc(C(C)(C)C)sc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877767 939805962 /nfs/dbraw/zinc/80/59/62/939805962.db2.gz TTZUQVJGEDFHME-GOSISDBHSA-N -1 0 391.449 3.387 10 5 GGBERM C[C@@H](CCOc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879861 939806257 /nfs/dbraw/zinc/80/62/57/939806257.db2.gz XKBJHPDQWXEBFB-VBKZILBWSA-N -1 0 386.404 3.116 10 5 GGBERM CC(C)Oc1cccc(CC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600879033 939806442 /nfs/dbraw/zinc/80/64/42/939806442.db2.gz VDLHTFCHPJSMOL-HXUWFJFHSA-N -1 0 386.404 3.041 10 5 GGBERM C[C@@](NC(=O)c1cccc2c1OC(C)(C)C2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600881167 939806780 /nfs/dbraw/zinc/80/67/80/939806780.db2.gz MWYAPGHVQLWLPM-FQEVSTJZSA-N -1 0 384.388 3.038 10 5 GGBERM C[C@](NC(=O)CCCc1c(F)cccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882093 939806980 /nfs/dbraw/zinc/80/69/80/939806980.db2.gz QNGHOYQOLGYIHO-LJQANCHMSA-N -1 0 392.358 3.312 10 5 GGBERM C[C@@](NC(=O)C1CCc2ccccc2CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882706 939807378 /nfs/dbraw/zinc/80/73/78/939807378.db2.gz VHIKPRVPJAMFQO-NRFANRHFSA-N -1 0 382.416 3.206 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000007708246 221006547 /nfs/dbraw/zinc/00/65/47/221006547.db2.gz YZMQFKFCQXABMW-UHFFFAOYSA-N -1 0 376.312 3.423 10 5 GGBERM 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O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000130030515 1416305029 /nfs/dbraw/zinc/30/50/29/1416305029.db2.gz HBIABFHRYQHVLP-UHFFFAOYSA-N -1 0 379.372 3.204 10 5 GGBERM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000178970353 1429231347 /nfs/dbraw/zinc/23/13/47/1429231347.db2.gz DVWRYBAXOYAXOI-UHFFFAOYSA-N -1 0 388.323 3.041 10 5 GGBERM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178715867 1424457996 /nfs/dbraw/zinc/45/79/96/1424457996.db2.gz PGFXKKZOPQLPRE-UHFFFAOYSA-N -1 0 380.389 3.166 10 5 GGBERM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000154725042 1424580739 /nfs/dbraw/zinc/58/07/39/1424580739.db2.gz HWCXLJRQAOQSGE-UHFFFAOYSA-N -1 0 384.421 3.063 10 5 GGBERM O=C(Nc1ccc(OCc2nn[n-]n2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001146994826 1427851268 /nfs/dbraw/zinc/85/12/68/1427851268.db2.gz DSOQHDDYLPWJIG-UHFFFAOYSA-N -1 0 396.388 3.154 10 5 GGBERM C[C@@](NC(=O)NCc1c(F)cccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000749106329 939065400 /nfs/dbraw/zinc/06/54/00/939065400.db2.gz QCZGOQRIGZTJKO-KRWDZBQOSA-N -1 0 395.774 3.187 10 5 GGBERM CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C(=O)[O-])C1 ZINC000864152767 939253457 /nfs/dbraw/zinc/25/34/57/939253457.db2.gz PHFBNIQBRADPHO-JOQOYGCGSA-N -1 0 386.404 3.136 10 5 GGBERM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C(=O)[O-])C1 ZINC000864152768 939253461 /nfs/dbraw/zinc/25/34/61/939253461.db2.gz PHFBNIQBRADPHO-SIIHOXLZSA-N -1 0 386.404 3.136 10 5 GGBERM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)C(=O)[O-])C1 ZINC000864152766 939253488 /nfs/dbraw/zinc/25/34/88/939253488.db2.gz PHFBNIQBRADPHO-JCKWVBRZSA-N -1 0 386.404 3.136 10 5 GGBERM Cc1ccc(C(=O)CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1C ZINC000864176272 939255367 /nfs/dbraw/zinc/25/53/67/939255367.db2.gz YBAAMWCJWFQQPU-OAQYLSRUSA-N -1 0 398.415 3.291 10 5 GGBERM CCO[C@H]1C[C@](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])C1(C)C 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ZINC000600876363 939805448 /nfs/dbraw/zinc/80/54/48/939805448.db2.gz QEHUKQIEQAAQKW-RNODOKPDSA-N -1 0 388.395 3.419 10 5 GGBERM CCOc1ccc(CCC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600875810 939805500 /nfs/dbraw/zinc/80/55/00/939805500.db2.gz OFIUIILFVRTMQN-HXUWFJFHSA-N -1 0 386.404 3.042 10 5 GGBERM C[C@H](CCOc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600879860 939806346 /nfs/dbraw/zinc/80/63/46/939806346.db2.gz XKBJHPDQWXEBFB-JLTOFOAXSA-N -1 0 386.404 3.116 10 5 GGBERM C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000600879019 939806372 /nfs/dbraw/zinc/80/63/72/939806372.db2.gz UXMUSFYDLDTPOV-WYRIXSBYSA-N -1 0 392.358 3.483 10 5 GGBERM C[C@@](NC(=O)CCCc1ccc(F)c(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880307 939806711 /nfs/dbraw/zinc/80/67/11/939806711.db2.gz ZBTWNQRKDMECHT-IBGZPJMESA-N -1 0 392.358 3.312 10 5 GGBERM COc1cccc([C@H](C)CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600880483 939806943 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566258291 /nfs/dbraw/zinc/25/82/91/566258291.db2.gz RKWKOBMEQJWEDA-BYCMXARLSA-N -1 0 382.800 3.004 10 5 GGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2c(Br)cccc2C1 ZINC000509058718 566258697 /nfs/dbraw/zinc/25/86/97/566258697.db2.gz ZWLXFFVHQCEREH-UHFFFAOYSA-N -1 0 377.194 3.261 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)F)s1 ZINC000599414476 566261404 /nfs/dbraw/zinc/26/14/04/566261404.db2.gz FDFPUELQPUGMAK-NSHDSACASA-N -1 0 376.406 3.201 10 5 GGBERM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000534943995 566265326 /nfs/dbraw/zinc/26/53/26/566265326.db2.gz UFGSOUPWVDUZIM-UHFFFAOYSA-N -1 0 384.797 3.129 10 5 GGBERM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000556348960 566289589 /nfs/dbraw/zinc/28/95/89/566289589.db2.gz BVMBBZUBYDBMSL-UHFFFAOYSA-N -1 0 392.256 3.231 10 5 GGBERM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000509393023 566298183 /nfs/dbraw/zinc/29/81/83/566298183.db2.gz WAXFBDULWBLKHB-UHFFFAOYSA-N -1 0 375.328 3.426 10 5 GGBERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000509389619 566298861 /nfs/dbraw/zinc/29/88/61/566298861.db2.gz FJNLEHBTCZCDTG-UHFFFAOYSA-N -1 0 375.328 3.426 10 5 GGBERM C[C@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443463 566304269 /nfs/dbraw/zinc/30/42/69/566304269.db2.gz XXGROMAWVHQQEW-JTQLQIEISA-N -1 0 396.296 3.054 10 5 GGBERM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000420715925 566308590 /nfs/dbraw/zinc/30/85/90/566308590.db2.gz BMIGSOUIWLZPEW-NXEZZACHSA-N -1 0 383.253 3.138 10 5 GGBERM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000600647100 566354276 /nfs/dbraw/zinc/35/42/76/566354276.db2.gz ZDGWTWFTYHPXCG-NSHDSACASA-N -1 0 384.483 3.328 10 5 GGBERM CN(CCc1cccc(Br)c1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000462842936 566358302 /nfs/dbraw/zinc/35/83/02/566358302.db2.gz SYEIHMRPOYSVSQ-UHFFFAOYSA-N -1 0 379.210 3.378 10 5 GGBERM 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GGBERM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000327804561 565633215 /nfs/dbraw/zinc/63/32/15/565633215.db2.gz VDYVTLKDKYIESX-UHFFFAOYSA-N -1 0 388.760 3.195 10 5 GGBERM Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000191807314 565634121 /nfs/dbraw/zinc/63/41/21/565634121.db2.gz PCNPHDWHMWCGHG-UHFFFAOYSA-N -1 0 382.829 3.333 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000192930942 565719639 /nfs/dbraw/zinc/71/96/39/565719639.db2.gz JBLXGDUFVVHWGL-UHFFFAOYSA-N -1 0 383.451 3.130 10 5 GGBERM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(-c2ncon2)c1 ZINC000195449621 565884721 /nfs/dbraw/zinc/88/47/21/565884721.db2.gz AAGZMGDZDLCIFJ-UHFFFAOYSA-N -1 0 380.769 3.099 10 5 GGBERM COCc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000414439547 565933166 /nfs/dbraw/zinc/93/31/66/565933166.db2.gz LFSQLJMRBQYLQK-UHFFFAOYSA-N -1 0 397.356 3.017 10 5 GGBERM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000180819559 566091364 /nfs/dbraw/zinc/09/13/64/566091364.db2.gz NWRLPMOFYWXFIP-UHFFFAOYSA-N -1 0 382.448 3.117 10 5 GGBERM COc1ccc(Br)c(CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000182088143 566181908 /nfs/dbraw/zinc/18/19/08/566181908.db2.gz HQWLIJNOBKXOIE-UHFFFAOYSA-N -1 0 381.182 3.253 10 5 GGBERM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263473386 566185669 /nfs/dbraw/zinc/18/56/69/566185669.db2.gz SJCBPVBSXCNWNT-NEPJUHHUSA-N -1 0 386.857 3.490 10 5 GGBERM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462410667 566297658 /nfs/dbraw/zinc/29/76/58/566297658.db2.gz VPPFFRPRDNAMKM-VIFPVBQESA-N -1 0 388.804 3.435 10 5 GGBERM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000509397401 566297914 /nfs/dbraw/zinc/29/79/14/566297914.db2.gz SXHNAJLFCCVLGN-UHFFFAOYSA-N -1 0 379.291 3.257 10 5 GGBERM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462443464 566304222 /nfs/dbraw/zinc/30/42/22/566304222.db2.gz XXGROMAWVHQQEW-SNVBAGLBSA-N -1 0 396.296 3.054 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1 ZINC000510219979 566371160 /nfs/dbraw/zinc/37/11/60/566371160.db2.gz ACZFSPHEPPZHAO-UHFFFAOYSA-N -1 0 382.360 3.147 10 5 GGBERM C[C@@](NC(=O)CCc1cc(Cl)cs1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872192 566371577 /nfs/dbraw/zinc/37/15/77/566371577.db2.gz DCZIRRRCAFCHLD-INIZCTEOSA-N -1 0 382.825 3.359 10 5 GGBERM CCC[C@@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000510540811 566392794 /nfs/dbraw/zinc/39/27/94/566392794.db2.gz XSECZVRAWZEQSQ-CYBMUJFWSA-N -1 0 383.253 3.139 10 5 GGBERM CCC[C@]1([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000510540812 566393184 /nfs/dbraw/zinc/39/31/84/566393184.db2.gz XSECZVRAWZEQSQ-ZDUSSCGKSA-N -1 0 383.253 3.139 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000536703397 566394380 /nfs/dbraw/zinc/39/43/80/566394380.db2.gz VSTLACMSAFGQKM-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM CN(Cc1cc(Br)ccc1F)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000537245676 566433210 /nfs/dbraw/zinc/43/32/10/566433210.db2.gz BTZFDXHREYIASP-UHFFFAOYSA-N -1 0 383.173 3.474 10 5 GGBERM COc1cc(CSc2n[n-]c(=NCc3ccco3)s2)ccc1[N+](=O)[O-] ZINC000484693963 566447898 /nfs/dbraw/zinc/44/78/98/566447898.db2.gz JLCIYVUPGUDWSP-UHFFFAOYSA-N -1 0 378.435 3.374 10 5 GGBERM CCSc1cccc(Br)c1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000484890742 566461996 /nfs/dbraw/zinc/46/19/96/566461996.db2.gz UVTPDAWEXBURHE-UHFFFAOYSA-N -1 0 385.243 3.455 10 5 GGBERM C[C@H](Cc1ccccc1Br)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538386802 566510216 /nfs/dbraw/zinc/51/02/16/566510216.db2.gz AYRGNBYGCKZENS-SNVBAGLBSA-N -1 0 379.210 3.424 10 5 GGBERM O=C(NCc1nc2cc(Br)ccc2o1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000578386962 566517133 /nfs/dbraw/zinc/51/71/33/566517133.db2.gz LHBDCNXHMDAXLI-UHFFFAOYSA-N -1 0 392.165 3.134 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000538757089 566533230 /nfs/dbraw/zinc/53/32/30/566533230.db2.gz RMSGPBJUCYBXNN-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485944113 566542431 /nfs/dbraw/zinc/54/24/31/566542431.db2.gz WFPIINKPKQNVJJ-VIFPVBQESA-N -1 0 381.410 3.383 10 5 GGBERM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000539414964 566580616 /nfs/dbraw/zinc/58/06/16/566580616.db2.gz VNNXMMFCNFDUBA-JTQLQIEISA-N -1 0 379.210 3.424 10 5 GGBERM Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c(C)o1 ZINC000560012527 566585444 /nfs/dbraw/zinc/58/54/44/566585444.db2.gz QHFTZAHVLASMMQ-UHFFFAOYSA-N -1 0 375.200 3.368 10 5 GGBERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccsc2)nn1C ZINC000486560611 566597519 /nfs/dbraw/zinc/59/75/19/566597519.db2.gz VKXBISBPUWVVNO-UHFFFAOYSA-N -1 0 378.435 3.166 10 5 GGBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2ccsc2)nn1C ZINC000486546728 566597532 /nfs/dbraw/zinc/59/75/32/566597532.db2.gz FABYICATRUMDRL-UHFFFAOYSA-N -1 0 378.435 3.166 10 5 GGBERM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2ccsc2)nn1C ZINC000486561052 566599432 /nfs/dbraw/zinc/59/94/32/566599432.db2.gz ONGFBCVZHFZIIH-UHFFFAOYSA-N -1 0 378.435 3.166 10 5 GGBERM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1cccc(Br)c1 ZINC000513619206 566612682 /nfs/dbraw/zinc/61/26/82/566612682.db2.gz JPUCVMGJEXECFT-JTQLQIEISA-N -1 0 395.209 3.260 10 5 GGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2cc(Br)ccc2C1 ZINC000560667751 566649326 /nfs/dbraw/zinc/64/93/26/566649326.db2.gz VHCMLRXAJUBUDY-UHFFFAOYSA-N -1 0 377.194 3.261 10 5 GGBERM O=C(NCCc1ccc(F)c(Br)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000540517311 566656588 /nfs/dbraw/zinc/65/65/88/566656588.db2.gz KNXCDJXDDBKUAZ-UHFFFAOYSA-N -1 0 383.173 3.175 10 5 GGBERM C[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])Oc1ccccc1Br ZINC000540588345 566658815 /nfs/dbraw/zinc/65/88/15/566658815.db2.gz HZSZSEDRZASCLM-SNVBAGLBSA-N -1 0 395.209 3.260 10 5 GGBERM O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561183255 566682434 /nfs/dbraw/zinc/68/24/34/566682434.db2.gz WLKOCALJQWZXSY-SECBINFHSA-N -1 0 386.202 3.076 10 5 GGBERM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC000451065509 566747042 /nfs/dbraw/zinc/74/70/42/566747042.db2.gz LGLICSPVXKZKBU-LLVKDONJSA-N -1 0 395.384 3.083 10 5 GGBERM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(F)(F)F)n1 ZINC000451068873 566749303 /nfs/dbraw/zinc/74/93/03/566749303.db2.gz RCKBCLWVBSGDBM-QMMMGPOBSA-N -1 0 387.386 3.003 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)cc1[N+](=O)[O-] ZINC000427628253 566785069 /nfs/dbraw/zinc/78/50/69/566785069.db2.gz GPQHQDMXPXIEFH-UHFFFAOYSA-N -1 0 393.755 3.354 10 5 GGBERM CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Br ZINC000469490795 566793992 /nfs/dbraw/zinc/79/39/92/566793992.db2.gz XSJYDZWOSJVAAE-UHFFFAOYSA-N -1 0 394.225 3.377 10 5 GGBERM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427750975 566794046 /nfs/dbraw/zinc/79/40/46/566794046.db2.gz ZBEAXXQOUUIYKL-UHFFFAOYSA-N -1 0 379.419 3.322 10 5 GGBERM O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000542516650 566808895 /nfs/dbraw/zinc/80/88/95/566808895.db2.gz WIZBYOHNVMDAES-UHFFFAOYSA-N -1 0 381.175 3.436 10 5 GGBERM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000610518448 566840413 /nfs/dbraw/zinc/84/04/13/566840413.db2.gz PGPWJIQDXHJIJD-SECBINFHSA-N -1 0 390.248 3.379 10 5 GGBERM CCCc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])o1 ZINC000451956277 566913987 /nfs/dbraw/zinc/91/39/87/566913987.db2.gz GWMZOPAQHVAHEK-UHFFFAOYSA-N -1 0 394.236 3.321 10 5 GGBERM Cc1ccsc1-c1nsc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000471944201 566988836 /nfs/dbraw/zinc/98/88/36/566988836.db2.gz QVVRGZLBSQDURA-UHFFFAOYSA-N -1 0 396.475 3.014 10 5 GGBERM Cc1sc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000565296827 567055830 /nfs/dbraw/zinc/05/58/30/567055830.db2.gz HSNAEGFIMWPQJR-UHFFFAOYSA-N -1 0 376.799 3.117 10 5 GGBERM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000545927049 567088344 /nfs/dbraw/zinc/08/83/44/567088344.db2.gz GWTNTMPTQQTQHI-UHFFFAOYSA-N -1 0 390.826 3.206 10 5 GGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cccc(I)c1 ZINC000565671539 567088651 /nfs/dbraw/zinc/08/86/51/567088651.db2.gz UCIZLFNLRDEOCH-PLNGDYQASA-N -1 0 396.140 3.463 10 5 GGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2c(F)cc(Br)cc2C1 ZINC000586797617 567096802 /nfs/dbraw/zinc/09/68/02/567096802.db2.gz XYVPLCOEOKFPTF-UHFFFAOYSA-N -1 0 395.184 3.401 10 5 GGBERM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCOc2c(Br)cccc2C1 ZINC000586816439 567099173 /nfs/dbraw/zinc/09/91/73/567099173.db2.gz LIEPLSJHNAVJDN-UHFFFAOYSA-N -1 0 393.193 3.098 10 5 GGBERM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncc(C(F)(F)F)s1 ZINC000473758053 567101127 /nfs/dbraw/zinc/10/11/27/567101127.db2.gz XUHHCUNGRLEULV-UHFFFAOYSA-N -1 0 381.357 3.488 10 5 GGBERM Cc1cc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC000546264688 567119052 /nfs/dbraw/zinc/11/90/52/567119052.db2.gz BWCDLQOQTWSZMR-SECBINFHSA-N -1 0 384.435 3.011 10 5 GGBERM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000432196435 567136894 /nfs/dbraw/zinc/13/68/94/567136894.db2.gz PKNCVIMALRRHHL-UHFFFAOYSA-N -1 0 391.188 3.401 10 5 GGBERM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000589559338 567183780 /nfs/dbraw/zinc/18/37/80/567183780.db2.gz VJTMPWOLQGQTMY-UHFFFAOYSA-N -1 0 375.328 3.372 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC000475832183 567280135 /nfs/dbraw/zinc/28/01/35/567280135.db2.gz LPWHPFKTWKFUQV-UHFFFAOYSA-N -1 0 384.845 3.346 10 5 GGBERM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])CC(F)F ZINC000592067757 567312888 /nfs/dbraw/zinc/31/28/88/567312888.db2.gz OSDUTSFQXCTJHM-LURJTMIESA-N -1 0 377.196 3.471 10 5 GGBERM O=C(NCc1cc(F)c(F)cc1Br)c1cc([O-])ccc1[N+](=O)[O-] ZINC000568375229 567323625 /nfs/dbraw/zinc/32/36/25/567323625.db2.gz YVXUUKVHNXBKKC-UHFFFAOYSA-N -1 0 387.136 3.271 10 5 GGBERM CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000592466147 567340554 /nfs/dbraw/zinc/34/05/54/567340554.db2.gz SCQWMNVJTBHFNG-UHFFFAOYSA-N -1 0 386.202 3.076 10 5 GGBERM CN(Cc1ccc(F)cc1Br)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000569014323 567373997 /nfs/dbraw/zinc/37/39/97/567373997.db2.gz BKZXXONOQVYCEU-UHFFFAOYSA-N -1 0 383.173 3.474 10 5 GGBERM Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000593204712 567397213 /nfs/dbraw/zinc/39/72/13/567397213.db2.gz ALBXCDMZMBTLKO-UHFFFAOYSA-N -1 0 396.368 3.199 10 5 GGBERM CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Br ZINC000436836472 567456099 /nfs/dbraw/zinc/45/60/99/567456099.db2.gz CSXMAJUEKVYXEY-UHFFFAOYSA-N -1 0 394.225 3.377 10 5 GGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000457324878 567458133 /nfs/dbraw/zinc/45/81/33/567458133.db2.gz JAPCXNSAAUWUFL-CYBMUJFWSA-N -1 0 392.209 3.435 10 5 GGBERM Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC000619525374 567462469 /nfs/dbraw/zinc/46/24/69/567462469.db2.gz GYNMPNCBPTXPAC-GHMZBOCLSA-N -1 0 383.198 3.271 10 5 GGBERM Cc1ccc([C@@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000594481175 567480074 /nfs/dbraw/zinc/48/00/74/567480074.db2.gz GKDZYWOKCAMWAJ-CYBMUJFWSA-N -1 0 378.328 3.219 10 5 GGBERM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000594481248 567480431 /nfs/dbraw/zinc/48/04/31/567480431.db2.gz KODIBXINEHQPQT-ZDUSSCGKSA-N -1 0 378.328 3.387 10 5 GGBERM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000594481839 567480873 /nfs/dbraw/zinc/48/08/73/567480873.db2.gz WAZZNSHASJVIEH-ZDUSSCGKSA-N -1 0 378.328 3.387 10 5 GGBERM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nnc(CCC(C)C)s2)cc1C ZINC000594725603 567502916 /nfs/dbraw/zinc/50/29/16/567502916.db2.gz AADNWIAGEWKFAC-UHFFFAOYSA-N -1 0 384.483 3.453 10 5 GGBERM C[C@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)(c1ccccc1)C(F)(F)F ZINC000479170691 567511138 /nfs/dbraw/zinc/51/11/38/567511138.db2.gz WROBNDRHXGRPJL-LBPRGKRZSA-N -1 0 380.369 3.412 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000594782629 567511582 /nfs/dbraw/zinc/51/15/82/567511582.db2.gz GETOHJFPCKDREX-JSGCOSHPSA-N -1 0 381.841 3.258 10 5 GGBERM COc1ccc(Br)cc1CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505137573 567561522 /nfs/dbraw/zinc/56/15/22/567561522.db2.gz RSPGXLBLQVDWMH-UHFFFAOYSA-N -1 0 395.209 3.344 10 5 GGBERM O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000552413890 567588423 /nfs/dbraw/zinc/58/84/23/567588423.db2.gz CBQFJXMYZZHPNX-CQSZACIVSA-N -1 0 392.209 3.339 10 5 GGBERM O=C([O-])[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000595978483 567596128 /nfs/dbraw/zinc/59/61/28/567596128.db2.gz NMSQYNWMJLKJJC-NWDGAFQWSA-N -1 0 392.209 3.057 10 5 GGBERM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505782642 567597401 /nfs/dbraw/zinc/59/74/01/567597401.db2.gz NQTDTYSLUCHHDU-SNVBAGLBSA-N -1 0 379.210 3.424 10 5 GGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCc2c(Br)ccc(F)c2C1 ZINC000553371085 567647542 /nfs/dbraw/zinc/64/75/42/567647542.db2.gz ZVGVVGGTIXQTIG-UHFFFAOYSA-N -1 0 395.184 3.401 10 5 GGBERM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000572605081 567652054 /nfs/dbraw/zinc/65/20/54/567652054.db2.gz CLMPVISKPPLKRV-LLVKDONJSA-N -1 0 386.857 3.128 10 5 GGBERM Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000507568465 567685911 /nfs/dbraw/zinc/68/59/11/567685911.db2.gz UDWCVYJIUVHVDG-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM COc1ccc(Br)c(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507675002 567695447 /nfs/dbraw/zinc/69/54/47/567695447.db2.gz VVBDBCCIUMDNJJ-UHFFFAOYSA-N -1 0 381.182 3.002 10 5 GGBERM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442829450 567710949 /nfs/dbraw/zinc/71/09/49/567710949.db2.gz VACSLIBMRDLZAZ-UHFFFAOYSA-N -1 0 375.328 3.426 10 5 GGBERM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508281914 567741310 /nfs/dbraw/zinc/74/13/10/567741310.db2.gz ZVMNNCWGILDWGJ-SNVBAGLBSA-N -1 0 379.210 3.424 10 5 GGBERM COc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c(OC)c1 ZINC000443418899 567755926 /nfs/dbraw/zinc/75/59/26/567755926.db2.gz OUAHBFRZCNLNST-UHFFFAOYSA-N -1 0 386.813 3.375 10 5 GGBERM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598621467 567780499 /nfs/dbraw/zinc/78/04/99/567780499.db2.gz GMZANPWDXWRQFL-LURJTMIESA-N -1 0 375.180 3.225 10 5 GGBERM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007159826 570806453 /nfs/dbraw/zinc/80/64/53/570806453.db2.gz IDBMOQJRBMMOQO-UHFFFAOYSA-N -1 0 391.283 3.323 10 5 GGBERM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000193624182 1433030323 /nfs/dbraw/zinc/03/03/23/1433030323.db2.gz HNEAMXXGYSVFPR-UHFFFAOYSA-N -1 0 399.222 3.093 10 5 GGBERM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193761967 1433054717 /nfs/dbraw/zinc/05/47/17/1433054717.db2.gz DGDXICNXFHKZKV-UHFFFAOYSA-N -1 0 384.779 3.342 10 5 GGBERM CCO[C@@H]1C[C@](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)(C(=O)[O-])C1(C)C ZINC000864138362 939250931 /nfs/dbraw/zinc/25/09/31/939250931.db2.gz FIUPZJFMYBGAND-UZLBHIALSA-N -1 0 386.404 3.136 10 5 GGBERM CCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000540668094 939290091 /nfs/dbraw/zinc/29/00/91/939290091.db2.gz MUVHOJYEHAUIOV-HNNXBMFYSA-N -1 0 396.758 3.342 10 5 GGBERM Cc1ccc([C@@H](C)NC(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000564711598 939345859 /nfs/dbraw/zinc/34/58/59/939345859.db2.gz NDEUVQJMKMNLTH-CWTRNNRKSA-N -1 0 389.383 3.403 10 5 GGBERM CC(C)COc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600872178 939803970 /nfs/dbraw/zinc/80/39/70/939803970.db2.gz DAYKFZFTCYOVOY-FQEVSTJZSA-N -1 0 386.404 3.359 10 5 GGBERM C[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871364 939803993 /nfs/dbraw/zinc/80/39/93/939803993.db2.gz BJSWSBSVZFRBOI-IQUTYRLHSA-N -1 0 390.342 3.093 10 5 GGBERM C[C@](NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872196 939804030 /nfs/dbraw/zinc/80/40/30/939804030.db2.gz DDQONVNYBCNUBZ-VLXJIEOASA-N -1 0 390.342 3.093 10 5 GGBERM Cc1ccc(SCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000600873156 939804247 /nfs/dbraw/zinc/80/42/47/939804247.db2.gz HCOSPICPPYTHDU-IBGZPJMESA-N -1 0 388.445 3.420 10 5 GGBERM CC(C)Oc1ccccc1CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873128 939804361 /nfs/dbraw/zinc/80/43/61/939804361.db2.gz GXPQIRNXKWHXPL-FQEVSTJZSA-N -1 0 386.404 3.041 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873982 939804633 /nfs/dbraw/zinc/80/46/33/939804633.db2.gz HWNALLPDDPFILG-YZVOILCLSA-N -1 0 388.807 3.468 10 5 GGBERM C[C@](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873980 939804796 /nfs/dbraw/zinc/80/47/96/939804796.db2.gz HWNALLPDDPFILG-QMTMVMCOSA-N -1 0 388.807 3.468 10 5 GGBERM Cc1ccc(C)c(SCC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600874746 939805175 /nfs/dbraw/zinc/80/51/75/939805175.db2.gz IHELQDPAISLGMY-IBGZPJMESA-N -1 0 388.445 3.420 10 5 GGBERM C[C@H](CCc1ccccc1F)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876373 939805289 /nfs/dbraw/zinc/80/52/89/939805289.db2.gz QEHUKQIEQAAQKW-ZUOKHONESA-N -1 0 388.395 3.419 10 5 GGBERM C[C@H](CCc1ccccc1F)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876372 939805429 /nfs/dbraw/zinc/80/54/29/939805429.db2.gz QEHUKQIEQAAQKW-XCLFUZPHSA-N -1 0 388.395 3.419 10 5 GGBERM C[C@@H](CSc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600875780 939805613 /nfs/dbraw/zinc/80/56/13/939805613.db2.gz NKLBLXMAGPCGCB-DJJJIMSYSA-N -1 0 388.445 3.439 10 5 GGBERM C[C@@](NC(=O)CCCc1cc(F)ccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600876350 939805627 /nfs/dbraw/zinc/80/56/27/939805627.db2.gz PZRHSWBREZQYET-IBGZPJMESA-N -1 0 392.358 3.312 10 5 GGBERM C[C@@](NC(=O)CCCOc1cccc(F)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600877093 939806039 /nfs/dbraw/zinc/80/60/39/939806039.db2.gz RKQQRSQMUDDKJN-IBGZPJMESA-N -1 0 390.367 3.009 10 5 GGBERM CC(C)Oc1cccc(CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000600879032 939806333 /nfs/dbraw/zinc/80/63/33/939806333.db2.gz VDLHTFCHPJSMOL-FQEVSTJZSA-N -1 0 386.404 3.041 10 5 GGBERM C[C@@](NC(=O)CCCc1c(F)cccc1F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882092 939806933 /nfs/dbraw/zinc/80/69/33/939806933.db2.gz QNGHOYQOLGYIHO-IBGZPJMESA-N -1 0 392.358 3.312 10 5 GGBERM COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000600882693 939807170 /nfs/dbraw/zinc/80/71/70/939807170.db2.gz UWSJKKJVCOVVON-XQAUZQBESA-N -1 0 398.415 3.213 10 5 GGBERM C[C@](NC(=O)C1CCc2ccccc2CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600882707 939807289 /nfs/dbraw/zinc/80/72/89/939807289.db2.gz VHIKPRVPJAMFQO-OAQYLSRUSA-N -1 0 382.416 3.206 10 5 GGBERM O=C([N-]c1nnc(-c2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017169433 210206086 /nfs/dbraw/zinc/20/60/86/210206086.db2.gz GBRXCZQKYIJNDL-UHFFFAOYSA-N -1 0 389.324 3.413 10 5 GGBERM COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000012785813 210008875 /nfs/dbraw/zinc/00/88/75/210008875.db2.gz DGCWBDQAPQAGQB-SNVBAGLBSA-N -1 0 376.390 3.421 10 5 GGBERM CCNc1cc(C(=O)c2cc(F)ccc2[O-])cn2c(=O)c3ccccc3nc12 ZINC000009578685 209835410 /nfs/dbraw/zinc/83/54/10/209835410.db2.gz FPWONWWPACTJGB-UHFFFAOYSA-N -1 0 377.375 3.355 10 5 GGBERM O=C([O-])c1cccc(CN2C[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Cl)CC2=O)c1 ZINC000072232742 211083645 /nfs/dbraw/zinc/08/36/45/211083645.db2.gz GQRKSWRCQHEQAK-WBVHZDCISA-N -1 0 388.807 3.200 10 5 GGBERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(cc(F)cc2F)s1 ZINC000006510772 564224111 /nfs/dbraw/zinc/22/41/11/564224111.db2.gz ITBPDLCRJURSSM-UHFFFAOYSA-N -1 0 385.373 3.014 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000118301256 564238510 /nfs/dbraw/zinc/23/85/10/564238510.db2.gz GSCWKKOJTKETRI-UHFFFAOYSA-N -1 0 398.750 3.116 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)s1 ZINC000118435389 564240479 /nfs/dbraw/zinc/24/04/79/564240479.db2.gz CAMDDIHDZZPKSN-LLVKDONJSA-N -1 0 384.332 3.377 10 5 GGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cnc2ccc(Br)cn12 ZINC000119125745 564256083 /nfs/dbraw/zinc/25/60/83/564256083.db2.gz XWKYFAYFJBSLIC-NSCUHMNNSA-N -1 0 389.165 3.269 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000028807832 564364490 /nfs/dbraw/zinc/36/44/90/564364490.db2.gz FXDXQUGWQJFYOR-UHFFFAOYSA-N -1 0 376.312 3.423 10 5 GGBERM Cc1cc(S(=O)(=O)[N-]c2n[nH]c3ccc([N+](=O)[O-])cc32)c(Cl)cc1F ZINC000135525610 564834502 /nfs/dbraw/zinc/83/45/02/564834502.db2.gz FWWDGKQOAFGLHE-UHFFFAOYSA-N -1 0 384.776 3.373 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000069901341 564847296 /nfs/dbraw/zinc/84/72/96/564847296.db2.gz NKGNCNKBXMKMSI-UHFFFAOYSA-N -1 0 385.829 3.124 10 5 GGBERM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2n1C ZINC000107036629 564994281 /nfs/dbraw/zinc/99/42/81/564994281.db2.gz SIQARVRAZRGHNK-UHFFFAOYSA-N -1 0 380.813 3.244 10 5 GGBERM CCC(CC)c1nnc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000267652375 565125766 /nfs/dbraw/zinc/12/57/66/565125766.db2.gz LLKOGNHBVUAYCG-UHFFFAOYSA-N -1 0 386.455 3.159 10 5 GGBERM CCc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000164840872 565364092 /nfs/dbraw/zinc/36/40/92/565364092.db2.gz AWYGZPQJPGBVKB-UHFFFAOYSA-N -1 0 390.215 3.017 10 5 GGBERM O=C(Cc1ccccc1I)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166176767 565373447 /nfs/dbraw/zinc/37/34/47/565373447.db2.gz TZAUEXSCTQBOLA-UHFFFAOYSA-N -1 0 398.156 3.086 10 5 GGBERM COc1cc(Br)ccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000188475830 565403155 /nfs/dbraw/zinc/40/31/55/565403155.db2.gz QVOMEMQWIILBOA-UHFFFAOYSA-N -1 0 381.182 3.002 10 5 GGBERM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n(-c2ccc(F)cc2)n1 ZINC000171149138 565413346 /nfs/dbraw/zinc/41/33/46/565413346.db2.gz ATFGYSKHPKLRKU-UHFFFAOYSA-N -1 0 382.398 3.090 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1[N+](=O)[O-] ZINC000171772680 565449728 /nfs/dbraw/zinc/44/97/28/565449728.db2.gz PEQLCISAGKOJAM-UHFFFAOYSA-N -1 0 393.755 3.354 10 5 GGBERM Cc1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)ccc1[N+](=O)[O-] ZINC000172192874 565471889 /nfs/dbraw/zinc/47/18/89/565471889.db2.gz CGBGCNKWIJYBBZ-UHFFFAOYSA-N -1 0 380.813 3.244 10 5 GGBERM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1I ZINC000385127549 565545348 /nfs/dbraw/zinc/54/53/48/565545348.db2.gz XMHPEALUBZAYFL-UHFFFAOYSA-N -1 0 398.156 3.466 10 5 GGBERM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C ZINC000392266333 565564387 /nfs/dbraw/zinc/56/43/87/565564387.db2.gz XBDHWSMMSWWUQK-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)n1 ZINC000191675638 565620728 /nfs/dbraw/zinc/62/07/28/565620728.db2.gz YLVIIVTXDGPVJZ-UHFFFAOYSA-N -1 0 378.801 3.235 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)N[C@H](C)CCC[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000327254532 565629456 /nfs/dbraw/zinc/62/94/56/565629456.db2.gz ZGYCODWPYWGVDM-NXEZZACHSA-N -1 0 392.861 3.114 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000327280748 565629580 /nfs/dbraw/zinc/62/95/80/565629580.db2.gz JFKXETRJBJJNIU-UHFFFAOYSA-N -1 0 384.797 3.080 10 5 GGBERM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nnc(CCC(C)C)o2)cc1[N+](=O)[O-] ZINC000194874868 565844259 /nfs/dbraw/zinc/84/42/59/565844259.db2.gz SLYGAZIUPZJNOP-UHFFFAOYSA-N -1 0 388.833 3.329 10 5 GGBERM C[C@H](Cc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1)CC(C)(C)C ZINC000194883582 565845548 /nfs/dbraw/zinc/84/55/48/565845548.db2.gz DGYCFIMGXOOVHW-SECBINFHSA-N -1 0 388.471 3.455 10 5 GGBERM CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285020484 565883932 /nfs/dbraw/zinc/88/39/32/565883932.db2.gz GYCMUDXTONHLAW-UHFFFAOYSA-N -1 0 376.797 3.045 10 5 GGBERM Cc1cc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)s1 ZINC000414323322 565910832 /nfs/dbraw/zinc/91/08/32/565910832.db2.gz UMIUTKDYAXDOIT-SECBINFHSA-N -1 0 384.435 3.011 10 5 GGBERM Cc1cc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(C)s1 ZINC000414323326 565911232 /nfs/dbraw/zinc/91/12/32/565911232.db2.gz UMIUTKDYAXDOIT-VIFPVBQESA-N -1 0 384.435 3.011 10 5 GGBERM CCCn1nccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000414376820 565918712 /nfs/dbraw/zinc/91/87/12/565918712.db2.gz DETIAQWGOZZSKB-UHFFFAOYSA-N -1 0 378.332 3.021 10 5 GGBERM COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414381858 565919725 /nfs/dbraw/zinc/91/97/25/565919725.db2.gz NLARYBSSHWFSBE-UHFFFAOYSA-N -1 0 384.435 3.169 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000180213567 566045612 /nfs/dbraw/zinc/04/56/12/566045612.db2.gz QWBQQUJMOIIDEY-UHFFFAOYSA-N -1 0 392.220 3.414 10 5 GGBERM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(F)(F)F)cc1 ZINC000180746832 566085761 /nfs/dbraw/zinc/08/57/61/566085761.db2.gz XUMOWUJTLJZVFG-LBPRGKRZSA-N -1 0 396.368 3.247 10 5 GGBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1n[nH]c2ccc(Br)cc21 ZINC000180771193 566088310 /nfs/dbraw/zinc/08/83/10/566088310.db2.gz PXTUERGTXPGETG-UHFFFAOYSA-N -1 0 377.154 3.192 10 5 GGBERM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C1 ZINC000181071691 566110995 /nfs/dbraw/zinc/11/09/95/566110995.db2.gz FCWFMFDSACVNBP-UHFFFAOYSA-N -1 0 381.479 3.429 10 5 GGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cnc2ccc(Br)cn12 ZINC000255309977 566121241 /nfs/dbraw/zinc/12/12/41/566121241.db2.gz XWKYFAYFJBSLIC-IHWYPQMZSA-N -1 0 389.165 3.269 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000534943044 566265475 /nfs/dbraw/zinc/26/54/75/566265475.db2.gz HLIXPDTWSAWGIN-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000509382988 566296909 /nfs/dbraw/zinc/29/69/09/566296909.db2.gz GOIQNHKKSDPLIH-UHFFFAOYSA-N -1 0 375.328 3.426 10 5 GGBERM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000535655724 566316552 /nfs/dbraw/zinc/31/65/52/566316552.db2.gz PXAJILDVMJXECO-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000421165429 566352851 /nfs/dbraw/zinc/35/28/51/566352851.db2.gz MRKPKXJXTLVBDE-ZDUSSCGKSA-N -1 0 395.275 3.160 10 5 GGBERM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600646989 566354138 /nfs/dbraw/zinc/35/41/38/566354138.db2.gz FAZRHNGWNNIZNZ-UHFFFAOYSA-N -1 0 384.483 3.079 10 5 GGBERM CC(C)Sc1c(Cl)cccc1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600646412 566354154 /nfs/dbraw/zinc/35/41/54/566354154.db2.gz BZRCQWVGCUKOTO-UHFFFAOYSA-N -1 0 390.874 3.283 10 5 GGBERM CCc1[nH]nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1-c1cccs1 ZINC000446949336 566373323 /nfs/dbraw/zinc/37/33/23/566373323.db2.gz GSXCGYYKLUWNLQ-UHFFFAOYSA-N -1 0 384.464 3.471 10 5 GGBERM COc1ccc(CN=c2[n-]nc(C(F)(F)C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000601063446 566387123 /nfs/dbraw/zinc/38/71/23/566387123.db2.gz AGSQQEPACRPPKR-UHFFFAOYSA-N -1 0 384.286 3.143 10 5 GGBERM Cc1c(CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)cccc1[N+](=O)[O-] ZINC000447992316 566451261 /nfs/dbraw/zinc/45/12/61/566451261.db2.gz OVLMCRUGNROSKR-UHFFFAOYSA-N -1 0 375.435 3.227 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511336385 566455149 /nfs/dbraw/zinc/45/51/49/566455149.db2.gz XYJYRPLWFCYDJD-UHFFFAOYSA-N -1 0 393.204 3.417 10 5 GGBERM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000485223718 566485238 /nfs/dbraw/zinc/48/52/38/566485238.db2.gz OGAPJAMRBYXWNK-CQSZACIVSA-N -1 0 393.193 3.221 10 5 GGBERM Cc1ccc(C)c(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c1[N+](=O)[O-] ZINC000558735953 566503437 /nfs/dbraw/zinc/50/34/37/566503437.db2.gz QGOQQHPWWHWFLN-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM C[C@@H](Cc1ccccc1Br)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538386801 566509919 /nfs/dbraw/zinc/50/99/19/566509919.db2.gz AYRGNBYGCKZENS-JTQLQIEISA-N -1 0 379.210 3.424 10 5 GGBERM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000538755880 566532833 /nfs/dbraw/zinc/53/28/33/566532833.db2.gz VAPPUDZPOQBBIU-UHFFFAOYSA-N -1 0 384.797 3.129 10 5 GGBERM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000512626944 566545577 /nfs/dbraw/zinc/54/55/77/566545577.db2.gz XYALZBVMCZEGFL-CYBMUJFWSA-N -1 0 377.194 3.480 10 5 GGBERM O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)ccc1[O-] ZINC000603912535 566546222 /nfs/dbraw/zinc/54/62/22/566546222.db2.gz GDROMLFVSXDBHN-INIZCTEOSA-N -1 0 382.825 3.383 10 5 GGBERM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000539192119 566566226 /nfs/dbraw/zinc/56/62/26/566566226.db2.gz DWJKEXSBZFCDLC-UHFFFAOYSA-N -1 0 392.723 3.025 10 5 GGBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000560010887 566584738 /nfs/dbraw/zinc/58/47/38/566584738.db2.gz QFMRBKLAYFTEQY-UHFFFAOYSA-N -1 0 393.165 3.436 10 5 GGBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000560011546 566585267 /nfs/dbraw/zinc/58/52/67/566585267.db2.gz SKDYDXFUSYNWLP-UHFFFAOYSA-N -1 0 392.618 3.207 10 5 GGBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000560009050 566585585 /nfs/dbraw/zinc/58/55/85/566585585.db2.gz BUQHHRAWGRHSLU-UHFFFAOYSA-N -1 0 393.165 3.436 10 5 GGBERM CCc1ncc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000560012061 566585618 /nfs/dbraw/zinc/58/56/18/566585618.db2.gz JKBHPBCUAAMGAR-UHFFFAOYSA-N -1 0 392.256 3.177 10 5 GGBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000560012571 566585888 /nfs/dbraw/zinc/58/58/88/566585888.db2.gz QTEGZZIWBMPCCY-UHFFFAOYSA-N -1 0 393.165 3.436 10 5 GGBERM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000539554680 566588985 /nfs/dbraw/zinc/58/89/85/566588985.db2.gz BAIZWPMBBSTWOR-UHFFFAOYSA-N -1 0 377.809 3.328 10 5 GGBERM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C(F)(F)F)c1 ZINC000513346962 566596893 /nfs/dbraw/zinc/59/68/93/566596893.db2.gz ATOGDDUOPIBGOB-UHFFFAOYSA-N -1 0 382.341 3.485 10 5 GGBERM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccsc3)nn2C)ccc1[N+](=O)[O-] ZINC000486569739 566598973 /nfs/dbraw/zinc/59/89/73/566598973.db2.gz YVPBPEFVLGRIIA-UHFFFAOYSA-N -1 0 378.435 3.166 10 5 GGBERM CCOC(=O)c1csc(=NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[n-]1 ZINC000450485800 566676600 /nfs/dbraw/zinc/67/66/00/566676600.db2.gz QLKWVAVVXUHJNI-UHFFFAOYSA-N -1 0 375.328 3.281 10 5 GGBERM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1noc2ccc(Cl)cc12 ZINC000427639773 566784541 /nfs/dbraw/zinc/78/45/41/566784541.db2.gz RFVMZHOCXXOGEL-UHFFFAOYSA-N -1 0 383.769 3.199 10 5 GGBERM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C ZINC000610032664 566800792 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O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433440076 567249430 /nfs/dbraw/zinc/24/94/30/567249430.db2.gz PTLHWTLSVBMZTN-UHFFFAOYSA-N -1 0 380.731 3.144 10 5 GGBERM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)CCC2(C)C ZINC000591498347 567284369 /nfs/dbraw/zinc/28/43/69/567284369.db2.gz BEGLUTXYICQFLS-UHFFFAOYSA-N -1 0 383.451 3.085 10 5 GGBERM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1ccccc1Br ZINC000500054882 567293990 /nfs/dbraw/zinc/29/39/90/567293990.db2.gz XTUCOJLGESCKKH-SNVBAGLBSA-N -1 0 395.209 3.260 10 5 GGBERM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c1C ZINC000548526090 567321884 /nfs/dbraw/zinc/32/18/84/567321884.db2.gz VQDLWYMINOKPSS-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000500794108 567345504 /nfs/dbraw/zinc/34/55/04/567345504.db2.gz KBFZRZHMGDWPHE-UHFFFAOYSA-N -1 0 375.859 3.172 10 5 GGBERM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000569047391 567375487 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376.312 3.423 10 5 GGBERM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000594411635 567473938 /nfs/dbraw/zinc/47/39/38/567473938.db2.gz KIXSHOBEXNVEGL-KCJUWKMLSA-N -1 0 382.722 3.184 10 5 GGBERM C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594461972 567477511 /nfs/dbraw/zinc/47/75/11/567477511.db2.gz KZDOZADWRZMGAY-KPXOXKRLSA-N -1 0 399.241 3.223 10 5 GGBERM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cn1 ZINC000437305595 567489291 /nfs/dbraw/zinc/48/92/91/567489291.db2.gz MOGXVXVBVZXMHM-UHFFFAOYSA-N -1 0 378.193 3.106 10 5 GGBERM CCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000479157668 567510406 /nfs/dbraw/zinc/51/04/06/567510406.db2.gz PGBMYRPHULSRRS-UHFFFAOYSA-N -1 0 379.419 3.404 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CCCCc1ccc(Cl)s1 ZINC000594780160 567511890 /nfs/dbraw/zinc/51/18/90/567511890.db2.gz HOOSZBOBNCJDRC-UHFFFAOYSA-N -1 0 375.859 3.006 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000594784464 567513197 /nfs/dbraw/zinc/51/31/97/567513197.db2.gz ZBOUXMLADQAXOX-TZMCWYRMSA-N -1 0 381.841 3.258 10 5 GGBERM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000594850020 567520746 /nfs/dbraw/zinc/52/07/46/567520746.db2.gz BLPAUSWDMAQWIW-SNVBAGLBSA-N -1 0 375.180 3.225 10 5 GGBERM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852187 567520987 /nfs/dbraw/zinc/52/09/87/567520987.db2.gz OEXFFTWKPPHRJC-WPRPVWTQSA-N -1 0 383.253 3.138 10 5 GGBERM O=C([O-])c1cc(N2CCN(Cc3ccc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC000551953346 567545438 /nfs/dbraw/zinc/54/54/38/567545438.db2.gz SZFMBCFNQWDQBC-UHFFFAOYSA-N -1 0 381.841 3.330 10 5 GGBERM CN(CCOc1ccc(Br)cc1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505139666 567562923 /nfs/dbraw/zinc/56/29/23/567562923.db2.gz AEETWCKANRWOEF-UHFFFAOYSA-N -1 0 395.209 3.214 10 5 GGBERM COc1cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc([N+](=O)[O-])c1C ZINC000480084142 567580196 /nfs/dbraw/zinc/58/01/96/567580196.db2.gz JCBKKDHQYGSHJY-UHFFFAOYSA-N -1 0 376.419 3.166 10 5 GGBERM COc1c(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cccc1[N+](=O)[O-] ZINC000480937828 567644485 /nfs/dbraw/zinc/64/44/85/567644485.db2.gz PASSFAYVLDWZEH-UHFFFAOYSA-N -1 0 376.419 3.166 10 5 GGBERM Cc1nc(C)c([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000531780393 567678623 /nfs/dbraw/zinc/67/86/23/567678623.db2.gz APTNPXYIADRDPA-UHFFFAOYSA-N -1 0 392.256 3.231 10 5 GGBERM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000508066522 567723415 /nfs/dbraw/zinc/72/34/15/567723415.db2.gz CICMRZVCYHOTFF-UHFFFAOYSA-N -1 0 376.419 3.223 10 5 GGBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000508066605 567723746 /nfs/dbraw/zinc/72/37/46/567723746.db2.gz CXIRNNBWOVGQSP-UHFFFAOYSA-N -1 0 376.419 3.223 10 5 GGBERM Cc1cc(S(=O)(=O)[N-]c2ncc(-c3cccnc3)s2)ccc1[N+](=O)[O-] ZINC000508100407 567728788 /nfs/dbraw/zinc/72/87/88/567728788.db2.gz WXDXNLGZSIJCDZ-UHFFFAOYSA-N -1 0 376.419 3.223 10 5 GGBERM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)c1 ZINC000508112382 567730241 /nfs/dbraw/zinc/73/02/41/567730241.db2.gz ZTZGELLDDKFSFS-UHFFFAOYSA-N -1 0 390.795 3.460 10 5 GGBERM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000508141482 567732963 /nfs/dbraw/zinc/73/29/63/567732963.db2.gz GEMAZMACUXGMMV-UHFFFAOYSA-N -1 0 376.419 3.055 10 5 GGBERM Cc1sc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000508146172 567734635 /nfs/dbraw/zinc/73/46/35/567734635.db2.gz VSLBMBSFVIWRJV-UHFFFAOYSA-N -1 0 382.448 3.284 10 5 GGBERM C[C@H](Cc1cccc(Br)c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508393231 567745760 /nfs/dbraw/zinc/74/57/60/567745760.db2.gz SGSQUJMCXUIANH-SNVBAGLBSA-N -1 0 379.210 3.424 10 5 GGBERM C[C@@H](Cc1cccc(Br)c1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508393230 567745838 /nfs/dbraw/zinc/74/58/38/567745838.db2.gz SGSQUJMCXUIANH-JTQLQIEISA-N -1 0 379.210 3.424 10 5 GGBERM COc1ccc([N-]c2c([N+](=O)[O-])nn(-c3ccccc3C)[n+]2[O-])cc1Cl ZINC000004971335 570386341 /nfs/dbraw/zinc/38/63/41/570386341.db2.gz HPZSJGGXUJORNE-UHFFFAOYSA-N -1 0 375.772 3.128 10 5 GGBERM Cc1ccc([C@@H]2CC(c3ccccc3[N+](=O)[O-])=NN2C(=O)CCC(=O)[O-])cc1 ZINC000240333486 570860934 /nfs/dbraw/zinc/86/09/34/570860934.db2.gz FDMYHNZKZLAZKE-SFHVURJKSA-N -1 0 381.388 3.446 10 5 GGBERM O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc2ccccc2c2cccnc12 ZINC000171959368 1424143819 /nfs/dbraw/zinc/14/38/19/1424143819.db2.gz SIVQPKRVNXGRAR-UHFFFAOYSA-N -1 0 380.411 3.498 10 5 GGBERM CCO[C@@H]1C[C@@](NC(=O)c2cc([N+](=O)[O-])cc3ccccc32)(C(=O)[O-])C1(C)C ZINC000864138361 939250883 /nfs/dbraw/zinc/25/08/83/939250883.db2.gz FIUPZJFMYBGAND-OXQOHEQNSA-N -1 0 386.404 3.136 10 5 GGBERM Cc1ccc([C@H](C)NC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000564711596 939345832 /nfs/dbraw/zinc/34/58/32/939345832.db2.gz NDEUVQJMKMNLTH-BUXKBTBVSA-N -1 0 389.383 3.403 10 5 GGBERM CCO[C@H]1C[C@@](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])C1(C)C ZINC000581406860 939778011 /nfs/dbraw/zinc/77/80/11/939778011.db2.gz QDWOEHFVLBQUJN-BLLLJJGKSA-N -1 0 385.804 3.028 10 5 GGBERM COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000594686254 939802115 /nfs/dbraw/zinc/80/21/15/939802115.db2.gz OAQFMCQEZOKHDX-SJCJKPOMSA-N -1 0 387.392 3.098 10 5 GGBERM C[C@](NC(=O)[C@H]1C[C@]12CCCc1ccccc12)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872993 939804326 /nfs/dbraw/zinc/80/43/26/939804326.db2.gz FOACDGDXQOIKOB-QIJUGHKUSA-N -1 0 394.427 3.305 10 5 GGBERM CCOc1ccccc1CCC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873997 939804605 /nfs/dbraw/zinc/80/46/05/939804605.db2.gz IADVUXATNSXKHL-FQEVSTJZSA-N -1 0 386.404 3.042 10 5 GGBERM C[C@](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600873981 939804609 /nfs/dbraw/zinc/80/46/09/939804609.db2.gz HWNALLPDDPFILG-SPYBWZPUSA-N -1 0 388.807 3.468 10 5 GGBERM 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Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H](CC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000387443792 565548847 /nfs/dbraw/zinc/54/88/47/565548847.db2.gz AASDHFSMOGSCJP-CYBMUJFWSA-N -1 0 392.861 3.067 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(C(F)(F)F)cc32)s1 ZINC000191561760 565613525 /nfs/dbraw/zinc/61/35/25/565613525.db2.gz RBIJFNCSMAHZCN-UHFFFAOYSA-N -1 0 392.340 3.352 10 5 GGBERM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000191564824 565613752 /nfs/dbraw/zinc/61/37/52/565613752.db2.gz HTJJUKKKXYOQRR-UHFFFAOYSA-N -1 0 375.328 3.426 10 5 GGBERM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)n1 ZINC000191595285 565616006 /nfs/dbraw/zinc/61/60/06/565616006.db2.gz OXBLKLWPZSXJIG-UHFFFAOYSA-N -1 0 378.801 3.235 10 5 GGBERM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000326843578 565626330 /nfs/dbraw/zinc/62/63/30/565626330.db2.gz OEAGUEBVMHLUHM-UHFFFAOYSA-N -1 0 384.797 3.144 10 5 GGBERM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)c1C ZINC000327492972 565630582 /nfs/dbraw/zinc/63/05/82/565630582.db2.gz JPTKTZYGRWFHSM-UHFFFAOYSA-N -1 0 384.797 3.364 10 5 GGBERM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000414450292 565934296 /nfs/dbraw/zinc/93/42/96/565934296.db2.gz GDCWWFITGRSGKA-VIFPVBQESA-N -1 0 380.266 3.233 10 5 GGBERM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(F)(F)F ZINC000414475644 565940736 /nfs/dbraw/zinc/94/07/36/565940736.db2.gz HRJAXESVOALSOC-JTQLQIEISA-N -1 0 394.293 3.479 10 5 GGBERM Cc1c(Br)cc(S(=O)(=O)[N-]c2ncccc2F)cc1[N+](=O)[O-] ZINC000180261505 566048801 /nfs/dbraw/zinc/04/88/01/566048801.db2.gz XICLBFXKTTZLEK-UHFFFAOYSA-N -1 0 390.190 3.001 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nnc(/C=C\c3ccco3)s2)s1 ZINC000255560068 566121097 /nfs/dbraw/zinc/12/10/97/566121097.db2.gz SASLFBSSFVWPJX-ARJAWSKDSA-N -1 0 384.420 3.072 10 5 GGBERM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000181735861 566163485 /nfs/dbraw/zinc/16/34/85/566163485.db2.gz AVIUCMRCVWEZJG-UHFFFAOYSA-N -1 0 398.750 3.116 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)c(Cl)c1 ZINC000182568012 566212586 /nfs/dbraw/zinc/21/25/86/566212586.db2.gz QHMAFTCHNMQKAW-UHFFFAOYSA-N -1 0 385.833 3.146 10 5 GGBERM O=C(NCc1cc2cc(Br)ccc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000575203066 566259460 /nfs/dbraw/zinc/25/94/60/566259460.db2.gz DQJQYHCPVBNNRN-UHFFFAOYSA-N -1 0 390.193 3.474 10 5 GGBERM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000556351319 566289447 /nfs/dbraw/zinc/28/94/47/566289447.db2.gz VTGPCMKSPZFVHV-UHFFFAOYSA-N -1 0 399.222 3.361 10 5 GGBERM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000600228304 566326421 /nfs/dbraw/zinc/32/64/21/566326421.db2.gz UTFUJSVNYMCRDJ-UHFFFAOYSA-N -1 0 397.254 3.243 10 5 GGBERM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000600647099 566354304 /nfs/dbraw/zinc/35/43/04/566354304.db2.gz ZDGWTWFTYHPXCG-LLVKDONJSA-N -1 0 384.483 3.328 10 5 GGBERM CCCc1nc(=NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)s[n-]1 ZINC000510598527 566397925 /nfs/dbraw/zinc/39/79/25/566397925.db2.gz HQXIROCVOOCYQG-UHFFFAOYSA-N -1 0 385.243 3.144 10 5 GGBERM Cc1sc(C(=O)N=c2[n-]nc(C(F)(F)C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000601688461 566418065 /nfs/dbraw/zinc/41/80/65/566418065.db2.gz LBZZAAABQGHETN-UHFFFAOYSA-N -1 0 388.299 3.145 10 5 GGBERM C[C@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc([N+](=O)[O-])c1 ZINC000448012281 566455708 /nfs/dbraw/zinc/45/57/08/566455708.db2.gz SKBPNPZKIUJGBZ-VIFPVBQESA-N -1 0 375.435 3.479 10 5 GGBERM O=C(N[C@H]1CCc2c1cccc2Br)c1cccc([O-])c1[N+](=O)[O-] ZINC000538345757 566508706 /nfs/dbraw/zinc/50/87/06/566508706.db2.gz PXLABWNZSMBBHW-ZDUSSCGKSA-N -1 0 377.194 3.480 10 5 GGBERM O=C(N[C@@H]1CCc2c1cccc2Br)c1cccc([O-])c1[N+](=O)[O-] ZINC000538345755 566508770 /nfs/dbraw/zinc/50/87/70/566508770.db2.gz PXLABWNZSMBBHW-CYBMUJFWSA-N -1 0 377.194 3.480 10 5 GGBERM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)c1[N+](=O)[O-] ZINC000559141356 566528222 /nfs/dbraw/zinc/52/82/22/566528222.db2.gz TWDGILZVOJIZKK-NSHDSACASA-N -1 0 395.384 3.250 10 5 GGBERM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)sc2C)c(C)c([N+](=O)[O-])c1 ZINC000486017486 566550082 /nfs/dbraw/zinc/55/00/82/566550082.db2.gz NMQVZOHDMOEDCC-UHFFFAOYSA-N -1 0 384.435 3.169 10 5 GGBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(-c2ccsc2)nn1C ZINC000486564621 566599400 /nfs/dbraw/zinc/59/94/00/566599400.db2.gz QQZVOZVIIDAUHC-UHFFFAOYSA-N -1 0 378.435 3.166 10 5 GGBERM O=C(c1cccc([O-])c1[N+](=O)[O-])N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000540567542 566659233 /nfs/dbraw/zinc/65/92/33/566659233.db2.gz YJHGOFUIZSYULO-UHFFFAOYSA-N -1 0 385.203 3.242 10 5 GGBERM O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000561183256 566682603 /nfs/dbraw/zinc/68/26/03/566682603.db2.gz WLKOCALJQWZXSY-VIFPVBQESA-N -1 0 386.202 3.076 10 5 GGBERM O=C([O-])c1csc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000426674130 566723454 /nfs/dbraw/zinc/72/34/54/566723454.db2.gz IZDZLVBOHKXYID-UHFFFAOYSA-N 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COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000543020771 566844851 /nfs/dbraw/zinc/84/48/51/566844851.db2.gz DLFGSYFPSKMLKK-UHFFFAOYSA-N -1 0 384.797 3.260 10 5 GGBERM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000543024012 566845553 /nfs/dbraw/zinc/84/55/53/566845553.db2.gz VTFXEFBEGUELJF-UHFFFAOYSA-N -1 0 384.797 3.260 10 5 GGBERM O=[N+]([O-])c1cnn(CCN=c2[n-]nc(-c3cc(Cl)cc(Cl)c3)s2)c1 ZINC000493604587 566950995 /nfs/dbraw/zinc/95/09/95/566950995.db2.gz LFLOJDAQCJTOKC-UHFFFAOYSA-N -1 0 385.236 3.151 10 5 GGBERM Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000494488262 567004464 /nfs/dbraw/zinc/00/44/64/567004464.db2.gz YOKPAXDTMPWDIF-UHFFFAOYSA-N -1 0 381.357 3.488 10 5 GGBERM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000520468457 567006135 /nfs/dbraw/zinc/00/61/35/567006135.db2.gz PSRLSEGEXADMDB-UHFFFAOYSA-N -1 0 375.328 3.372 10 5 GGBERM C[C@H]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000564970434 567026249 /nfs/dbraw/zinc/02/62/49/567026249.db2.gz DZMPLCQEPMMVTJ-CABZTGNLSA-N -1 0 394.225 3.453 10 5 GGBERM CCCc1nc(=NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s[n-]1 ZINC000545258606 567032808 /nfs/dbraw/zinc/03/28/08/567032808.db2.gz CKFYIMLJAUFLOC-UHFFFAOYSA-N -1 0 375.435 3.197 10 5 GGBERM O=C(N[C@H]1CCc2c1cccc2Br)c1cc([O-])ccc1[N+](=O)[O-] ZINC000495385300 567059290 /nfs/dbraw/zinc/05/92/90/567059290.db2.gz KHWPOVKTBKBYDN-AWEZNQCLSA-N -1 0 377.194 3.480 10 5 GGBERM COc1cccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000585733052 567083910 /nfs/dbraw/zinc/08/39/10/567083910.db2.gz MSDGXFXHDBXNMD-UHFFFAOYSA-N -1 0 387.211 3.167 10 5 GGBERM O=C(NCCCc1cccc(Br)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586776889 567096661 /nfs/dbraw/zinc/09/66/61/567096661.db2.gz JRHJRZLBNHSAEB-UHFFFAOYSA-N -1 0 379.210 3.426 10 5 GGBERM Cc1csc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CCC2)n1 ZINC000474111915 567135535 /nfs/dbraw/zinc/13/55/35/567135535.db2.gz XBUNLMFMRHCAEC-UHFFFAOYSA-N -1 0 387.870 3.371 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)s1 ZINC000432947201 567207140 /nfs/dbraw/zinc/20/71/40/567207140.db2.gz FBQVLJWOHDYGRG-NSHDSACASA-N -1 0 384.332 3.219 10 5 GGBERM O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cc(F)c(Cl)cc1F ZINC000433446706 567250384 /nfs/dbraw/zinc/25/03/84/567250384.db2.gz IGPVJZPKNMBPCH-UHFFFAOYSA-N -1 0 376.768 3.146 10 5 GGBERM COc1ccc(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000433447352 567250767 /nfs/dbraw/zinc/25/07/67/567250767.db2.gz MYWMANVMFSRXQM-UHFFFAOYSA-N -1 0 392.767 3.014 10 5 GGBERM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000548197103 567288714 /nfs/dbraw/zinc/28/87/14/567288714.db2.gz RUUFNRVBDHDQGJ-UHFFFAOYSA-N -1 0 388.760 3.027 10 5 GGBERM COc1ccccc1C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000592070659 567312629 /nfs/dbraw/zinc/31/26/29/567312629.db2.gz SUQAESMHAQVART-UHFFFAOYSA-N -1 0 382.825 3.224 10 5 GGBERM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000548543516 567325485 /nfs/dbraw/zinc/32/54/85/567325485.db2.gz PJLYRQVLMHTDJV-UHFFFAOYSA-N -1 0 384.435 3.350 10 5 GGBERM Cc1ncc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C2CC2)n1 ZINC000500544258 567330813 /nfs/dbraw/zinc/33/08/13/567330813.db2.gz HWFPSJWWQDDXCH-UHFFFAOYSA-N -1 0 382.829 3.333 10 5 GGBERM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476958205 567361073 /nfs/dbraw/zinc/36/10/73/567361073.db2.gz MUEXHZTXMQRUEA-ZDUSSCGKSA-N -1 0 382.825 3.277 10 5 GGBERM CC1(C)Cc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])sc2C(=O)N1 ZINC000593348480 567407621 /nfs/dbraw/zinc/40/76/21/567407621.db2.gz BFKOGFRSRLXSDY-UHFFFAOYSA-N -1 0 380.813 3.022 10 5 GGBERM CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000619507113 567461029 /nfs/dbraw/zinc/46/10/29/567461029.db2.gz DSXBFLZQFJCXDV-UHFFFAOYSA-N -1 0 386.455 3.159 10 5 GGBERM O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Br)cc3[O-])n2)nc1 ZINC000436946586 567468306 /nfs/dbraw/zinc/46/83/06/567468306.db2.gz SKAFJGRKKLGPPD-UHFFFAOYSA-N -1 0 377.154 3.099 10 5 GGBERM C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594469381 567479174 /nfs/dbraw/zinc/47/91/74/567479174.db2.gz XUPQUCVFFVFAGQ-AQUOVQTQSA-N -1 0 399.241 3.223 10 5 GGBERM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000551117150 567480114 /nfs/dbraw/zinc/48/01/14/567480114.db2.gz VFGBHWSWIBFVBE-UHFFFAOYSA-N -1 0 375.175 3.297 10 5 GGBERM Cc1ccc([C@@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 ZINC000594481870 567480474 /nfs/dbraw/zinc/48/04/74/567480474.db2.gz YXVMBNOKLOEEDF-CYBMUJFWSA-N -1 0 378.328 3.219 10 5 GGBERM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)o1 ZINC000594481244 567480895 /nfs/dbraw/zinc/48/08/95/567480895.db2.gz KODIBXINEHQPQT-CYBMUJFWSA-N -1 0 378.328 3.387 10 5 GGBERM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C(F)(F)F)o1 ZINC000594481531 567480911 /nfs/dbraw/zinc/48/09/11/567480911.db2.gz PBMBOXOYHZTUMM-ZDUSSCGKSA-N -1 0 378.328 3.387 10 5 GGBERM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1[N+](=O)[O-] ZINC000437317122 567490934 /nfs/dbraw/zinc/49/09/34/567490934.db2.gz YTMWUWNNGXBORA-UHFFFAOYSA-N -1 0 378.193 3.106 10 5 GGBERM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)cc2[nH]cnc21 ZINC000503523204 567491224 /nfs/dbraw/zinc/49/12/24/567491224.db2.gz FRPCXDOZHYVKED-UHFFFAOYSA-N -1 0 377.154 3.192 10 5 GGBERM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000594725707 567503206 /nfs/dbraw/zinc/50/32/06/567503206.db2.gz GLFAZPLBGAPYPN-UHFFFAOYSA-N -1 0 390.874 3.489 10 5 GGBERM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479135963 567507867 /nfs/dbraw/zinc/50/78/67/567507867.db2.gz BNDVVTRVIPYFRQ-UHFFFAOYSA-N -1 0 379.419 3.152 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000594779727 567511948 /nfs/dbraw/zinc/51/19/48/567511948.db2.gz SPJKNZYEGQTSQF-AWEZNQCLSA-N -1 0 385.804 3.212 10 5 GGBERM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000594784463 567513245 /nfs/dbraw/zinc/51/32/45/567513245.db2.gz ZBOUXMLADQAXOX-OCCSQVGLSA-N -1 0 381.841 3.258 10 5 GGBERM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])O1 ZINC000594852185 567520564 /nfs/dbraw/zinc/52/05/64/567520564.db2.gz OEXFFTWKPPHRJC-SCZZXKLOSA-N -1 0 383.253 3.138 10 5 GGBERM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000570981924 567529112 /nfs/dbraw/zinc/52/91/12/567529112.db2.gz BUMLSPWPTMDZCL-UHFFFAOYSA-N -1 0 378.740 3.336 10 5 GGBERM O=C(N[C@H]1CCOc2c(Br)cccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000504331470 567529937 /nfs/dbraw/zinc/52/99/37/567529937.db2.gz HIWBTBGQQILTCE-LBPRGKRZSA-N -1 0 393.193 3.317 10 5 GGBERM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000595380102 567560120 /nfs/dbraw/zinc/56/01/20/567560120.db2.gz JYUASCZYUAJUNX-BYCMXARLSA-N -1 0 382.800 3.004 10 5 GGBERM O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552230893 567570663 /nfs/dbraw/zinc/57/06/63/567570663.db2.gz FGZBRRYTVWLNTK-GXTWGEPZSA-N -1 0 377.194 3.349 10 5 GGBERM CCOC(=O)c1cc(CC)sc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000480163395 567584973 /nfs/dbraw/zinc/58/49/73/567584973.db2.gz SEFQUXHDZVFUPG-UHFFFAOYSA-N -1 0 390.464 3.258 10 5 GGBERM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(=O)c2ccccc2[n-]1 ZINC000552397244 567587311 /nfs/dbraw/zinc/58/73/11/567587311.db2.gz WJJDBGBZCOEINH-UHFFFAOYSA-N -1 0 388.177 3.451 10 5 GGBERM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505782640 567597427 /nfs/dbraw/zinc/59/74/27/567597427.db2.gz NQTDTYSLUCHHDU-JTQLQIEISA-N -1 0 379.210 3.424 10 5 GGBERM O=C(N[C@@H]1CCOc2ccc(Br)cc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505930042 567603702 /nfs/dbraw/zinc/60/37/02/567603702.db2.gz KIYKYZYTYPQNIW-CQSZACIVSA-N -1 0 393.193 3.317 10 5 GGBERM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cn2ccc(Br)cc2n1 ZINC000573029444 567681863 /nfs/dbraw/zinc/68/18/63/567681863.db2.gz BGJRRPNNEOMNNQ-UPHRSURJSA-N -1 0 389.165 3.269 10 5 GGBERM O=C(Nc1ccc(I)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000507932830 567716966 /nfs/dbraw/zinc/71/69/66/567716966.db2.gz ADXUBBAAKMHHDZ-UHFFFAOYSA-N -1 0 384.129 3.157 10 5 GGBERM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000508067173 567725525 /nfs/dbraw/zinc/72/55/25/567725525.db2.gz HTMXOXRHNPUVHZ-UHFFFAOYSA-N -1 0 376.419 3.223 10 5 GGBERM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ncc(-c2cccnc2)s1 ZINC000508081225 567726619 /nfs/dbraw/zinc/72/66/19/567726619.db2.gz BZAAXZBWRYTHMI-UHFFFAOYSA-N -1 0 376.419 3.055 10 5 GGBERM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000508089948 567727495 /nfs/dbraw/zinc/72/74/95/567727495.db2.gz RZTIOOLLJJVDJS-UHFFFAOYSA-N -1 0 398.750 3.284 10 5 GGBERM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Br)s1 ZINC000508094144 567729255 /nfs/dbraw/zinc/72/92/55/567729255.db2.gz KAGJPDOYZSAJNC-UHFFFAOYSA-N -1 0 398.647 3.268 10 5 GGBERM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000508113864 567730287 /nfs/dbraw/zinc/73/02/87/567730287.db2.gz AEWMQZVWSIMVHP-UHFFFAOYSA-N -1 0 376.419 3.223 10 5 GGBERM O=C(NCCc1ccc(F)c(Br)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508172814 567734314 /nfs/dbraw/zinc/73/43/14/567734314.db2.gz FFHHCLDWDDVVDM-UHFFFAOYSA-N -1 0 383.173 3.175 10 5 GGBERM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508281912 567740944 /nfs/dbraw/zinc/74/09/44/567740944.db2.gz ZVMNNCWGILDWGJ-JTQLQIEISA-N -1 0 379.210 3.424 10 5 GGBERM COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C(=O)[O-])c1 ZINC000170595122 570852187 /nfs/dbraw/zinc/85/21/87/570852187.db2.gz ILGDUKGEMAEVDJ-UHFFFAOYSA-N -1 0 394.405 3.028 10 5 GGBERM COc1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1[O-] ZINC000108387016 570987669 /nfs/dbraw/zinc/98/76/69/570987669.db2.gz XVSDSDDONJXPEG-QWHCGFSZSA-N -1 0 395.456 3.139 10 5 GGBERM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000020491940 1399348048 /nfs/dbraw/zinc/34/80/48/1399348048.db2.gz MFMYFTFBQIPJIL-UHFFFAOYSA-N -1 0 389.389 3.054 10 5 GGBERM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000078725969 1409934493 /nfs/dbraw/zinc/93/44/93/1409934493.db2.gz ZUMIWEWDHIMGDF-UHFFFAOYSA-N -1 0 395.375 3.203 10 5 GGBERM