smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ncccc2[O-])c1 ZINC000022264378 695651646 /nfs/dbraw/zinc/65/16/46/695651646.db2.gz GZEYWJLDJWJOHT-UHFFFAOYSA-N -2 3 355.423 3.046 20 0 FGADHL O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1ccncc1[O-] ZINC000109890308 700537371 /nfs/dbraw/zinc/53/73/71/700537371.db2.gz OGMZTYMNBJQFPI-UHFFFAOYSA-N -2 3 361.814 3.000 20 0 FGADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000182494221 705846172 /nfs/dbraw/zinc/84/61/72/705846172.db2.gz CNUCDSSJIWWRTQ-UHFFFAOYSA-N -2 3 354.815 3.195 20 0 FGADHL Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c2ccccc2n1C ZINC000427299542 714019407 /nfs/dbraw/zinc/01/94/07/714019407.db2.gz NXWQWIQHJWFRDS-UHFFFAOYSA-N -2 3 362.382 3.125 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000522398973 714186687 /nfs/dbraw/zinc/18/66/87/714186687.db2.gz XFYIKEUAXUEVOS-UHFFFAOYSA-N -2 3 363.435 3.348 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1C(=O)[O-] ZINC000647919185 718387047 /nfs/dbraw/zinc/38/70/47/718387047.db2.gz QHVKQDADIMQGRK-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000647919286 718387054 /nfs/dbraw/zinc/38/70/54/718387054.db2.gz VFQRYIRSUKUDHM-UHFFFAOYSA-N -2 3 355.799 3.107 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc(C(=O)[O-])c1Cl ZINC000759095574 722999427 /nfs/dbraw/zinc/99/94/27/722999427.db2.gz PMJYRYKOKWKSOQ-UHFFFAOYSA-N -2 3 367.810 3.082 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1F ZINC000776561538 724159122 /nfs/dbraw/zinc/15/91/22/724159122.db2.gz NTWPRXGRYCZBHY-UHFFFAOYSA-N -2 3 367.373 3.343 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3ncccc32)c1F ZINC000776561219 724159358 /nfs/dbraw/zinc/15/93/58/724159358.db2.gz WXLFYCHHRIKIFI-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000806633247 725138534 /nfs/dbraw/zinc/13/85/34/725138534.db2.gz IYUSHKNHFDVHQT-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000006638571 493971968 /nfs/dbraw/zinc/97/19/68/493971968.db2.gz LLXXPAZZYFYJRJ-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000055311214 494325990 /nfs/dbraw/zinc/32/59/90/494325990.db2.gz BQYRHDOABIVDSN-UHFFFAOYSA-N -2 3 350.179 3.394 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1F ZINC000580269366 505717972 /nfs/dbraw/zinc/71/79/72/505717972.db2.gz RVGAOMDCVRCOKS-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Br)ccc1F ZINC000131423263 494613307 /nfs/dbraw/zinc/61/33/07/494613307.db2.gz WGRXPJCSDLZEDL-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000161301785 496148085 /nfs/dbraw/zinc/14/80/85/496148085.db2.gz NXOLLJAOKULZPR-UHFFFAOYSA-N -2 3 351.277 3.231 20 0 FGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000184649156 496479893 /nfs/dbraw/zinc/47/98/93/496479893.db2.gz JXOWZRYDVDQZNP-CYBMUJFWSA-N -2 3 359.447 3.239 20 0 FGADHL CC(=O)Nc1cccc(N=c2[n-]nc(SCc3ncccc3[O-])s2)c1 ZINC000571980446 505861189 /nfs/dbraw/zinc/86/11/89/505861189.db2.gz ZSUZZZQTLSDZJE-UHFFFAOYSA-N -2 3 373.463 3.055 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)C1CCC1 ZINC000578234648 505894751 /nfs/dbraw/zinc/89/47/51/505894751.db2.gz KLMFQRFBKZOSFU-NSHDSACASA-N -2 3 361.485 3.092 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000572793227 506053635 /nfs/dbraw/zinc/05/36/35/506053635.db2.gz RYJHPYDSTOZZGB-LLVKDONJSA-N -2 3 366.247 3.159 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000314331767 498775765 /nfs/dbraw/zinc/77/57/65/498775765.db2.gz LOLJFDXDZAZWEE-GFCCVEGCSA-N -2 3 360.218 3.098 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1F ZINC000327014608 498851334 /nfs/dbraw/zinc/85/13/34/498851334.db2.gz ZBVYKYMNEKRTTO-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000327343552 498855854 /nfs/dbraw/zinc/85/58/54/498855854.db2.gz HBFZXUZIQPAPMV-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000573114550 506121922 /nfs/dbraw/zinc/12/19/22/506121922.db2.gz ITTFOLZFVNUKIV-CQSZACIVSA-N -2 3 366.464 3.051 20 0 FGADHL O=C(CCCCCCCC(=O)[N-]OC/C=C/Cl)[N-]OC/C=C/Cl ZINC000291886574 499093905 /nfs/dbraw/zinc/09/39/05/499093905.db2.gz QXAZFOPFKNBYPC-JMQWPVDRSA-N -2 3 367.273 3.318 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389469174 499552799 /nfs/dbraw/zinc/55/27/99/499552799.db2.gz MLODJKDZEUGPOJ-NXEZZACHSA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000401546891 499569383 /nfs/dbraw/zinc/56/93/83/499569383.db2.gz FLAPSQJYATYLDK-SNVBAGLBSA-N -2 3 354.255 3.161 20 0 FGADHL O=S(=O)([N-]c1ccc([C@H]2CCOC2)cc1)c1cccc(Cl)c1[O-] ZINC000570400549 506158890 /nfs/dbraw/zinc/15/88/90/506158890.db2.gz HEOQBAYZSZMUTQ-LBPRGKRZSA-N -2 3 353.827 3.350 20 0 FGADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000421146605 499970963 /nfs/dbraw/zinc/97/09/63/499970963.db2.gz DYPZVZKMPUWIRG-CQSZACIVSA-N -2 3 355.843 3.045 20 0 FGADHL CCOc1nc2ccc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)cc2[n-]1 ZINC000431722574 500415015 /nfs/dbraw/zinc/41/50/15/500415015.db2.gz HUTQRNKJRBZGMI-UHFFFAOYSA-N -2 3 365.418 3.154 20 0 FGADHL CCOc1nc2cc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)ccc2[n-]1 ZINC000431722574 500415018 /nfs/dbraw/zinc/41/50/18/500415018.db2.gz HUTQRNKJRBZGMI-UHFFFAOYSA-N -2 3 365.418 3.154 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000432727805 500553632 /nfs/dbraw/zinc/55/36/32/500553632.db2.gz KSPMLSFXLDJZIB-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433489374 500704068 /nfs/dbraw/zinc/70/40/68/500704068.db2.gz CUHOBEKSYFIBRA-NSHDSACASA-N -3 3 365.407 3.069 20 0 FGADHL CCn1nc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c2ccccc21 ZINC000443454122 500726699 /nfs/dbraw/zinc/72/66/99/500726699.db2.gz MAIDQVQXNNUFPS-KTKRTIGZSA-N -2 3 352.394 3.048 20 0 FGADHL CCCCc1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC000433812924 500748937 /nfs/dbraw/zinc/74/89/37/500748937.db2.gz XMRKZXDXLUNKKV-UHFFFAOYSA-N -2 3 373.434 3.405 20 0 FGADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2[nH]1 ZINC000433812924 500748940 /nfs/dbraw/zinc/74/89/40/500748940.db2.gz XMRKZXDXLUNKKV-UHFFFAOYSA-N -2 3 373.434 3.405 20 0 FGADHL O=S(=O)([N-]c1cc(F)ccc1F)c1cc(C(F)(F)F)ccc1[O-] ZINC000436480942 501135092 /nfs/dbraw/zinc/13/50/92/501135092.db2.gz YNZGOKUCODFECJ-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL CSc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)o1 ZINC000436912929 501231593 /nfs/dbraw/zinc/23/15/93/501231593.db2.gz FERFLCPLHQCRPB-UHFFFAOYSA-N -2 3 350.787 3.398 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)ccc1[O-] ZINC000451080608 501243891 /nfs/dbraw/zinc/24/38/91/501243891.db2.gz KPFVQALCRPBSKD-UHFFFAOYSA-N -2 3 360.435 3.030 20 0 FGADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000481463150 501782482 /nfs/dbraw/zinc/78/24/82/501782482.db2.gz JOTUFNFDLJJHAN-UHFFFAOYSA-N -2 3 367.810 3.188 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1-c1ncco1 ZINC000481623808 501835613 /nfs/dbraw/zinc/83/56/13/501835613.db2.gz SNTFVBJCBUDLTG-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481961299 501929478 /nfs/dbraw/zinc/92/94/78/501929478.db2.gz YLDSVDRUVWXFRU-ZDUSSCGKSA-N -2 3 363.435 3.292 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1C(=O)[O-] ZINC000481967079 501931619 /nfs/dbraw/zinc/93/16/19/501931619.db2.gz WYRKUXOIDXEKAW-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000486049283 502030232 /nfs/dbraw/zinc/03/02/32/502030232.db2.gz ZVOUPBMDEGNQLG-HIFRSBDPSA-N -2 3 365.476 3.451 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000497943234 503072088 /nfs/dbraw/zinc/07/20/88/503072088.db2.gz FQQIGDCZYMIRET-UHFFFAOYSA-N -2 3 360.391 3.066 20 0 FGADHL Cc1nc(C=Cc2nc(C(C)C)n3ccccc23)[n-]c(=O)c1CC(=O)[O-] ZINC000504721041 503608429 /nfs/dbraw/zinc/60/84/29/503608429.db2.gz NICHWRPGKJFSHW-FPLPWBNLSA-N -2 3 352.394 3.059 20 0 FGADHL Cc1nc(C=Cc2ccc(F)cc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504721072 503608445 /nfs/dbraw/zinc/60/84/45/503608445.db2.gz NRXGSICUNXZHHV-HYXAFXHYSA-N -2 3 356.275 3.446 20 0 FGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C(=O)[O-])c1 ZINC000536656190 503663128 /nfs/dbraw/zinc/66/31/28/503663128.db2.gz OIEQLNUVQPBUDV-UHFFFAOYSA-N -2 3 361.419 3.127 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1C(=O)[O-] ZINC000540497540 503794013 /nfs/dbraw/zinc/79/40/13/503794013.db2.gz UYKWAFDAZTZDRS-UHFFFAOYSA-N -2 3 367.448 3.225 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000537196793 503836873 /nfs/dbraw/zinc/83/68/73/503836873.db2.gz PSKXEABRQKTVFV-UHFFFAOYSA-N -2 3 362.432 3.325 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2C)c1 ZINC000546957262 503937297 /nfs/dbraw/zinc/93/72/97/503937297.db2.gz APEGVDPOFABVJE-GTNSWQLSSA-N -2 3 363.410 3.044 20 0 FGADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000547896201 504259816 /nfs/dbraw/zinc/25/98/16/504259816.db2.gz FREOEUXBQZYSRD-DOMZBBRYSA-N -2 3 373.883 3.476 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)c1 ZINC000544934971 504304978 /nfs/dbraw/zinc/30/49/78/504304978.db2.gz GIMFCTHZEJTJGK-CYBMUJFWSA-N -2 3 365.426 3.132 20 0 FGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000548539052 504479444 /nfs/dbraw/zinc/47/94/44/504479444.db2.gz ONBSDGZRQZWEIC-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000539360465 504541252 /nfs/dbraw/zinc/54/12/52/504541252.db2.gz FIMWJJWGUGTGID-UHFFFAOYSA-N -2 3 372.402 3.195 20 0 FGADHL COc1ccc(/C=C/c2cc(C(=O)[O-])ccn2)c(Br)c1[O-] ZINC000563902905 505271356 /nfs/dbraw/zinc/27/13/56/505271356.db2.gz RJGADYOGPHDCHT-DUXPYHPUSA-N -2 3 350.168 3.427 20 0 FGADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000551911828 505340305 /nfs/dbraw/zinc/34/03/05/505340305.db2.gz SIBWSZMLXSQPDV-AWEZNQCLSA-N -2 3 365.373 3.017 20 0 FGADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000564851610 505539490 /nfs/dbraw/zinc/53/94/90/505539490.db2.gz QDLHAVYCCJZTAR-YPMHNXCESA-N -2 3 363.838 3.181 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(F)ccc3Cl)c1)CCC2 ZINC000590264578 506776510 /nfs/dbraw/zinc/77/65/10/506776510.db2.gz GLUBIJYQSWQVKZ-UHFFFAOYSA-N -2 3 369.801 3.467 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c(C)c1C ZINC000604972109 507012100 /nfs/dbraw/zinc/01/21/00/507012100.db2.gz WDGFYAHGWHPBKO-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000584794312 507507386 /nfs/dbraw/zinc/50/73/86/507507386.db2.gz BUNRNSRQWSSQLK-CQSZACIVSA-N -2 3 373.352 3.275 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccs1 ZINC000681557608 599980988 /nfs/dbraw/zinc/98/09/88/599980988.db2.gz KYNBEQKIDULDER-SNVBAGLBSA-N -2 3 363.819 3.035 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC000738064033 600637792 /nfs/dbraw/zinc/63/77/92/600637792.db2.gz PCYZGQGAMONNFY-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833027166 601214513 /nfs/dbraw/zinc/21/45/13/601214513.db2.gz DNZSDQDQNYMLOY-NSHDSACASA-N -2 3 359.403 3.479 20 0 FGADHL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000740529885 602246449 /nfs/dbraw/zinc/24/64/49/602246449.db2.gz OKARVSZIDWZQDM-UHFFFAOYSA-N -2 3 358.419 3.017 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000739503490 602645486 /nfs/dbraw/zinc/64/54/86/602645486.db2.gz HXRCGTIDIAIBGS-UHFFFAOYSA-N -2 3 350.396 3.284 20 0 FGADHL CN(C[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C(=O)[O-] ZINC000828253191 604221201 /nfs/dbraw/zinc/22/12/01/604221201.db2.gz IWLQQNWJKCUNPO-CQSZACIVSA-N -2 3 370.405 3.256 20 0 FGADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000826102572 604502317 /nfs/dbraw/zinc/50/23/17/604502317.db2.gz BXSLFVYQSOIGJP-INIZCTEOSA-N -2 3 360.385 3.183 20 0 FGADHL O=C([O-])CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2o1 ZINC000823387717 606389862 /nfs/dbraw/zinc/38/98/62/606389862.db2.gz VPQREFNNJLTGBJ-VQHVLOKHSA-N -2 3 353.363 3.085 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826451733 608387294 /nfs/dbraw/zinc/38/72/94/608387294.db2.gz UFECQMZPXFIMMP-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826451733 608387295 /nfs/dbraw/zinc/38/72/95/608387295.db2.gz UFECQMZPXFIMMP-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1Cl ZINC000320272294 713810366 /nfs/dbraw/zinc/81/03/66/713810366.db2.gz LTKBEDRBUKBCPF-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000326855288 713820856 /nfs/dbraw/zinc/82/08/56/713820856.db2.gz RMVWYAYZECRHPD-UHFFFAOYSA-N -2 3 361.419 3.002 20 0 FGADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc2sccc2c([O-])c1 ZINC000803409500 724448917 /nfs/dbraw/zinc/44/89/17/724448917.db2.gz XWIYYAFPMRXAHX-UHFFFAOYSA-N -2 3 352.375 3.350 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)oc1C(=O)[O-] ZINC000663428000 720512578 /nfs/dbraw/zinc/51/25/78/720512578.db2.gz MQQKADZRDPKPFZ-UHFFFAOYSA-N -2 3 369.826 3.297 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1O ZINC000776460069 724147458 /nfs/dbraw/zinc/14/74/58/724147458.db2.gz MAAKJEXSTCBEQN-BQYQJAHWSA-N -2 3 353.783 3.156 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000045947015 206079851 /nfs/dbraw/zinc/07/98/51/206079851.db2.gz USULBNMYALQRAQ-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)C[C@@H]3CCCCC3(F)F)ccc12 ZINC000573660157 505590236 /nfs/dbraw/zinc/59/02/36/505590236.db2.gz TULAJGWVUDFHPA-JTQLQIEISA-N -2 3 372.393 3.433 20 0 FGADHL O=C(Nc1cc(I)ccc1[O-])c1c([O-])cccc1F ZINC000614008432 507332414 /nfs/dbraw/zinc/33/24/14/507332414.db2.gz VAYUVJWJMBONGR-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2ccccc2SC)C(=O)[O-])cc1 ZINC000576881955 505615924 /nfs/dbraw/zinc/61/59/24/505615924.db2.gz UUMQHGZDUYZNCB-INIZCTEOSA-N -2 3 365.476 3.075 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000063180369 494031170 /nfs/dbraw/zinc/03/11/70/494031170.db2.gz FLXSJUSXPDUXOQ-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1C ZINC000580237587 505710803 /nfs/dbraw/zinc/71/08/03/505710803.db2.gz WUUQTNLYUCDWAZ-UHFFFAOYSA-N -2 3 363.435 3.048 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)n1 ZINC000047328438 494682149 /nfs/dbraw/zinc/68/21/49/494682149.db2.gz XMKHVJRAISXBIZ-UHFFFAOYSA-N -2 3 369.446 3.163 20 0 FGADHL COc1cc(-c2nc(=O)c3sccc3[n-]2)cc(Br)c1[O-] ZINC000130614784 495420198 /nfs/dbraw/zinc/42/01/98/495420198.db2.gz WHSXSNTVTHQMIA-UHFFFAOYSA-N -2 3 353.197 3.128 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3C)n[n-]2)o1 ZINC000178225025 496376320 /nfs/dbraw/zinc/37/63/20/496376320.db2.gz WIKCRCIKXPMDNT-UHFFFAOYSA-N -2 3 355.350 3.002 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nc(C(C)(C)C)cs1 ZINC000185010482 496621295 /nfs/dbraw/zinc/62/12/95/496621295.db2.gz JYSIZCYGPIVNDI-MRVPVSSYSA-N -2 3 374.509 3.240 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1nccs1 ZINC000185047432 496636599 /nfs/dbraw/zinc/63/65/99/496636599.db2.gz SNAGCMDVHRXWLC-NSHDSACASA-N -2 3 374.871 3.233 20 0 FGADHL COc1ccc([O-])c(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000262888263 497648166 /nfs/dbraw/zinc/64/81/66/497648166.db2.gz CSBLPFNPRPXUCR-UHFFFAOYSA-N -2 3 369.417 3.194 20 0 FGADHL Cc1nc(C=Cc2nc(C(C)C)n3ccccc23)[n-]c(=O)c1CCC(=O)[O-] ZINC000282300790 498458435 /nfs/dbraw/zinc/45/84/35/498458435.db2.gz XCKHGIMWRZKMPC-CMDGGOBGSA-N -2 3 366.421 3.449 20 0 FGADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000320321549 498806478 /nfs/dbraw/zinc/80/64/78/498806478.db2.gz NFIWRJBFXHQCMJ-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325569526 498837247 /nfs/dbraw/zinc/83/72/47/498837247.db2.gz LBVWPTXLLLEQOA-GXTWGEPZSA-N -2 3 365.373 3.017 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000326714097 498846880 /nfs/dbraw/zinc/84/68/80/498846880.db2.gz ZNEPHDPJJIJUIV-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000391246061 499556627 /nfs/dbraw/zinc/55/66/27/499556627.db2.gz LFSPGMSYTZMERF-SECBINFHSA-N -2 3 374.871 3.151 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000401541155 499569186 /nfs/dbraw/zinc/56/91/86/499569186.db2.gz BCEZMHMYUXXMPJ-VIFPVBQESA-N -2 3 354.255 3.161 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)c(F)c1 ZINC000427267183 500375614 /nfs/dbraw/zinc/37/56/14/500375614.db2.gz NWRRHVONEYBFSV-UHFFFAOYSA-N -2 3 367.373 3.019 20 0 FGADHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000437005170 500591327 /nfs/dbraw/zinc/59/13/27/500591327.db2.gz VLIGYGGZPHXNBQ-OAHLLOKOSA-N -2 3 357.797 3.448 20 0 FGADHL Cc1nc(C=Cc2cccc3c2OC(C)(C)C3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443444391 500725248 /nfs/dbraw/zinc/72/52/48/500725248.db2.gz OMFBSJIBASRZAH-CLFYSBASSA-N -2 3 354.406 3.392 20 0 FGADHL Cc1nc(C=Cc2cc(Cl)cc3c2OCC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457141 500727323 /nfs/dbraw/zinc/72/73/23/500727323.db2.gz XPEFSFKHFZUQOG-DUXPYHPUSA-N -2 3 360.797 3.267 20 0 FGADHL CCOCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000438728973 500815729 /nfs/dbraw/zinc/81/57/29/500815729.db2.gz VOBDXINGTAXRJH-UHFFFAOYSA-N -2 3 363.435 3.339 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000435877707 501040294 /nfs/dbraw/zinc/04/02/94/501040294.db2.gz UGEZPTHUJXMVLR-GXTWGEPZSA-N -2 3 369.801 3.012 20 0 FGADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000436203265 501088848 /nfs/dbraw/zinc/08/88/48/501088848.db2.gz YPQDPKKNSJZCQA-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436480748 501135587 /nfs/dbraw/zinc/13/55/87/501135587.db2.gz XOJAAJGZSPQMPI-UHFFFAOYSA-N -2 3 368.842 3.441 20 0 FGADHL CC(=O)c1ccc([O-])c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000436643806 501177239 /nfs/dbraw/zinc/17/72/39/501177239.db2.gz GMFJTKXZJQGLID-UHFFFAOYSA-N -2 3 354.337 3.136 20 0 FGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436648958 501178676 /nfs/dbraw/zinc/17/86/76/501178676.db2.gz PMJPUBCPAXCORH-UHFFFAOYSA-N -2 3 367.448 3.230 20 0 FGADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(C)c1OC ZINC000486124004 502055058 /nfs/dbraw/zinc/05/50/58/502055058.db2.gz NTNKLDXJWBRJSM-TWGQIWQCSA-N -2 3 358.394 3.004 20 0 FGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)n[nH]1 ZINC000468606992 502123352 /nfs/dbraw/zinc/12/33/52/502123352.db2.gz ITYVPXLJHSRBIL-UHFFFAOYSA-N -2 3 373.390 3.009 20 0 FGADHL CCc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1[O-] ZINC000487301965 502412395 /nfs/dbraw/zinc/41/23/95/502412395.db2.gz IPEJWEGSHFEJEK-UHFFFAOYSA-N -2 3 360.211 3.039 20 0 FGADHL Cc1nc(C=Cc2ccc(F)c(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470236912 502713149 /nfs/dbraw/zinc/71/31/49/502713149.db2.gz LTSAPMLUCYUDNB-HWKANZROSA-N -2 3 367.174 3.190 20 0 FGADHL O=S(=O)(CCc1cccs1)[N-]c1cc(Br)ccc1[O-] ZINC000477501332 502790986 /nfs/dbraw/zinc/79/09/86/502790986.db2.gz HYCZBCJNYROMDA-UHFFFAOYSA-N -2 3 362.270 3.201 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000507951752 503403301 /nfs/dbraw/zinc/40/33/01/503403301.db2.gz PIBIPECOJPJNMM-UHFFFAOYSA-N -2 3 366.439 3.229 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)ccc1C(=O)[O-] ZINC000507969838 503405922 /nfs/dbraw/zinc/40/59/22/503405922.db2.gz XZLNNBHWGVOFHU-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1nc(C=Cc2csc(-c3ccccc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729093 503609048 /nfs/dbraw/zinc/60/90/48/503609048.db2.gz HTCGKCKZDNCFDJ-BQYQJAHWSA-N -2 3 353.403 3.412 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(F)(F)F ZINC000517138178 503653143 /nfs/dbraw/zinc/65/31/43/503653143.db2.gz YUQLBXAOCCCPPL-MRVPVSSYSA-N -2 3 359.391 3.092 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC000518370672 503965207 /nfs/dbraw/zinc/96/52/07/503965207.db2.gz XDGMKYGJCRCZFH-MRVPVSSYSA-N -2 3 374.509 3.240 20 0 FGADHL CCCC[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000518397409 503973449 /nfs/dbraw/zinc/97/34/49/503973449.db2.gz REGDQYAFUBCDSA-CYBMUJFWSA-N -2 3 358.423 3.257 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)ccc1Cl ZINC000547548542 504146673 /nfs/dbraw/zinc/14/66/73/504146673.db2.gz PMBNOZGLHURMJT-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547575866 504151195 /nfs/dbraw/zinc/15/11/95/504151195.db2.gz JGANFDRTBIQMLC-VIFPVBQESA-N -2 3 371.352 3.156 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]Cc1ccc(C(C)C)cc1 ZINC000519150141 504152305 /nfs/dbraw/zinc/15/23/05/504152305.db2.gz XXAXHTCLBDPWQE-UHFFFAOYSA-N -2 3 369.464 3.057 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccsc1 ZINC000547608490 504154469 /nfs/dbraw/zinc/15/44/69/504154469.db2.gz DRHBBNNHFFFALC-MRVPVSSYSA-N -2 3 372.276 3.221 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c1 ZINC000538298254 504196060 /nfs/dbraw/zinc/19/60/60/504196060.db2.gz KGRGCDKZZGNVKO-UHFFFAOYSA-N -2 3 363.435 3.128 20 0 FGADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547912100 504262289 /nfs/dbraw/zinc/26/22/89/504262289.db2.gz HFOYOBHFDQABAB-YPMHNXCESA-N -2 3 363.838 3.181 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000547963299 504275722 /nfs/dbraw/zinc/27/57/22/504275722.db2.gz SNPJMWIZNMICDR-QMMMGPOBSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000541930623 504306642 /nfs/dbraw/zinc/30/66/42/504306642.db2.gz LIRQEHYLOSCSAZ-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc3cccnc32)c1 ZINC000548193427 504365930 /nfs/dbraw/zinc/36/59/30/504365930.db2.gz OQRQYOBHBLUJSS-UHFFFAOYSA-N -2 3 360.366 3.014 20 0 FGADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000548202967 504368230 /nfs/dbraw/zinc/36/82/30/504368230.db2.gz DWLYGNHUJUDMNG-AWEZNQCLSA-N -2 3 371.817 3.146 20 0 FGADHL Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cc1F ZINC000548525107 504477219 /nfs/dbraw/zinc/47/72/19/504477219.db2.gz OBRHAYXHEFEDFL-UHFFFAOYSA-N -2 3 359.325 3.052 20 0 FGADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000548565840 504483597 /nfs/dbraw/zinc/48/35/97/504483597.db2.gz RXXIVHGPZNAKMZ-IINYFYTJSA-N -2 3 371.817 3.219 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(F)c2)s1 ZINC000548570820 504484152 /nfs/dbraw/zinc/48/41/52/504484152.db2.gz ARHSBYZSMUNZLR-AWEZNQCLSA-N -2 3 371.455 3.289 20 0 FGADHL O=C(N=c1[n-]ncn1Cc1ccccc1)c1cc2cc(Cl)sc2[n-]1 ZINC000562325223 504784209 /nfs/dbraw/zinc/78/42/09/504784209.db2.gz FTGDQHSOFFDMEW-UHFFFAOYSA-N -2 3 357.826 3.197 20 0 FGADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000556415904 504868006 /nfs/dbraw/zinc/86/80/06/504868006.db2.gz KKXIFIQKNRBRFE-ZDUSSCGKSA-N -2 3 353.893 3.349 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000566005051 505052286 /nfs/dbraw/zinc/05/22/86/505052286.db2.gz OZONVPOFFQTIBU-PRHODGIISA-N -2 3 354.255 3.017 20 0 FGADHL CC(=O)c1cccc(NC(=O)c2ccc(Br)cc2[O-])c1[O-] ZINC000560552557 505124681 /nfs/dbraw/zinc/12/46/81/505124681.db2.gz UPRAMPANTYGBNT-UHFFFAOYSA-N -2 3 350.168 3.315 20 0 FGADHL O=c1[n-]c(-c2n[n-]c(-c3cccc(Br)c3)n2)nc2ccccc21 ZINC000551244602 505184480 /nfs/dbraw/zinc/18/44/80/505184480.db2.gz IBWGMIHUJBLRDX-UHFFFAOYSA-N -2 3 368.194 3.138 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1C ZINC000554687232 505240611 /nfs/dbraw/zinc/24/06/11/505240611.db2.gz HBCDCASXYJDONV-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000584794311 507507925 /nfs/dbraw/zinc/50/79/25/507507925.db2.gz BUNRNSRQWSSQLK-AWEZNQCLSA-N -2 3 373.352 3.275 20 0 FGADHL COc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000584837873 507534561 /nfs/dbraw/zinc/53/45/61/507534561.db2.gz LJJPPKJPBFTQQL-AWEZNQCLSA-N -2 3 367.423 3.052 20 0 FGADHL Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000614785420 507651952 /nfs/dbraw/zinc/65/19/52/507651952.db2.gz CMRYHKILGZKQKO-CYBMUJFWSA-N -2 3 371.817 3.282 20 0 FGADHL Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000614785421 507651996 /nfs/dbraw/zinc/65/19/96/507651996.db2.gz CMRYHKILGZKQKO-ZDUSSCGKSA-N -2 3 371.817 3.282 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000740174444 599779522 /nfs/dbraw/zinc/77/95/22/599779522.db2.gz YWUYMMMLWWIUAI-HNNXBMFYSA-N -2 3 369.826 3.451 20 0 FGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(NC(=O)[O-])c3)cc2)n1 ZINC000738313544 599909510 /nfs/dbraw/zinc/90/95/10/599909510.db2.gz AWYATMOHHKFOGW-UHFFFAOYSA-N -2 3 364.361 3.088 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(C(=O)[O-])cc3)nc2)n1 ZINC000737250618 600075334 /nfs/dbraw/zinc/07/53/34/600075334.db2.gz ILGFTPFFJKCYTR-UHFFFAOYSA-N -2 3 364.405 3.141 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1Cl ZINC000262386537 600098137 /nfs/dbraw/zinc/09/81/37/600098137.db2.gz HVHXGVTZGRLCKY-UHFFFAOYSA-N -2 3 366.266 3.224 20 0 FGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000739886390 600244613 /nfs/dbraw/zinc/24/46/13/600244613.db2.gz JOWQMMIIGMIBHA-UHFFFAOYSA-N -2 3 374.462 3.105 20 0 FGADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000739686976 600489791 /nfs/dbraw/zinc/48/97/91/600489791.db2.gz JBTXUGOAKVOPAP-UHFFFAOYSA-N -2 3 369.826 3.384 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000326778211 601324575 /nfs/dbraw/zinc/32/45/75/601324575.db2.gz AATOFGBHWRJBKE-XGICHPGQSA-N -2 3 361.419 3.372 20 0 FGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2O1 ZINC000759172745 602309465 /nfs/dbraw/zinc/30/94/65/602309465.db2.gz XVNXLJGRZPYKHT-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000833568654 604808368 /nfs/dbraw/zinc/80/83/68/604808368.db2.gz GYMFHNUHXQZEHJ-XPTSAGLGSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1occc1-c1ccccc1 ZINC000105612630 700502805 /nfs/dbraw/zinc/50/28/05/700502805.db2.gz PEPGYODBQKYVQP-UHFFFAOYSA-N -2 3 356.765 3.380 20 0 FGADHL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000315426293 713806583 /nfs/dbraw/zinc/80/65/83/713806583.db2.gz KFAQZGYPOYGAAI-UHFFFAOYSA-N -2 3 363.222 3.314 20 0 FGADHL CCOc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000451090566 714049112 /nfs/dbraw/zinc/04/91/12/714049112.db2.gz GXJWUSRWWJTPOP-UHFFFAOYSA-N -2 3 372.830 3.059 20 0 FGADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1CC ZINC000486069636 714096972 /nfs/dbraw/zinc/09/69/72/714096972.db2.gz CHMKTRMCGPDOFM-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])c2ccccc21 ZINC000629338619 716270440 /nfs/dbraw/zinc/27/04/40/716270440.db2.gz NWVZQFVYJNTZNA-STQMWFEESA-N -2 3 366.464 3.004 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3c(O)cccc3Cl)c1)CCC2 ZINC000647919347 718387083 /nfs/dbraw/zinc/38/70/83/718387083.db2.gz YHCUJDUKDOQMLE-UHFFFAOYSA-N -2 3 367.810 3.033 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cnc1Cl ZINC000740701163 722537058 /nfs/dbraw/zinc/53/70/58/722537058.db2.gz WLFRTSDGAHGXGT-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761305729 723142696 /nfs/dbraw/zinc/14/26/96/723142696.db2.gz SYWSGBLPUUXXCN-SSDOTTSWSA-N -2 3 372.295 3.112 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000790614588 723159118 /nfs/dbraw/zinc/15/91/18/723159118.db2.gz CQWQLFSOPVSUOW-UHFFFAOYSA-N -2 3 365.794 3.213 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)CC1CCCC1 ZINC000776552058 724157949 /nfs/dbraw/zinc/15/79/49/724157949.db2.gz MDRQESVZTGKOSP-LLVKDONJSA-N -2 3 363.838 3.039 20 0 FGADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000776618469 724164703 /nfs/dbraw/zinc/16/47/03/724164703.db2.gz YEJUQICWZUPZTQ-KWQFWETISA-N -2 3 371.352 3.012 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])Cc2ccccc2)sc1Cl ZINC000788697114 725081877 /nfs/dbraw/zinc/08/18/77/725081877.db2.gz NBZGOXQCEQKCMQ-GFCCVEGCSA-N -2 3 373.883 3.074 20 0 FGADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840892311 730188956 /nfs/dbraw/zinc/18/89/56/730188956.db2.gz XTFYWFKKHLCSRF-UHFFFAOYSA-N -2 3 362.181 3.015 20 0 FGADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1(F)F ZINC000907040412 744180871 /nfs/dbraw/zinc/18/08/71/744180871.db2.gz MQJLGNAQJZLFIX-LLVKDONJSA-N -2 3 374.192 3.015 20 0 FGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2[O-])C2CC2)s1 ZINC000632033711 450598584 /nfs/dbraw/zinc/59/85/84/450598584.db2.gz WKMRUMXVRGNAQT-LBPRGKRZSA-N -2 3 358.872 3.240 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000094702971 494957516 /nfs/dbraw/zinc/95/75/16/494957516.db2.gz PVHREOHSPXWQFC-SECBINFHSA-N -2 3 354.255 3.019 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)ccc1Cl ZINC000063345133 494047264 /nfs/dbraw/zinc/04/72/64/494047264.db2.gz DLCCXWYOEPVXSK-UHFFFAOYSA-N -2 3 369.826 3.410 20 0 FGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc2)n1 ZINC000102836652 495165511 /nfs/dbraw/zinc/16/55/11/495165511.db2.gz SGBQSWXPONOWBI-UHFFFAOYSA-N -2 3 355.781 3.357 20 0 FGADHL O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000176627934 495726486 /nfs/dbraw/zinc/72/64/86/495726486.db2.gz HDTHRNNWLFVMSW-UHFFFAOYSA-N -2 3 374.824 3.242 20 0 FGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000571927214 505847362 /nfs/dbraw/zinc/84/73/62/505847362.db2.gz SGRISRYXDRABGY-UHFFFAOYSA-N -2 3 369.336 3.387 20 0 FGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc2nn[n-]c21 ZINC000163651810 496542557 /nfs/dbraw/zinc/54/25/57/496542557.db2.gz OINBNGSDBXUNLU-UHFFFAOYSA-N -2 3 367.590 3.332 20 0 FGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc2[n-]nnc21 ZINC000163651810 496542560 /nfs/dbraw/zinc/54/25/60/496542560.db2.gz OINBNGSDBXUNLU-UHFFFAOYSA-N -2 3 367.590 3.332 20 0 FGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc2n[n-]nc21 ZINC000163651810 496542562 /nfs/dbraw/zinc/54/25/62/496542562.db2.gz OINBNGSDBXUNLU-UHFFFAOYSA-N -2 3 367.590 3.332 20 0 FGADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263161525 497720516 /nfs/dbraw/zinc/72/05/16/497720516.db2.gz ILBTUHVCMBPZPC-RHSMWYFYSA-N -2 3 353.418 3.308 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000320040936 498804850 /nfs/dbraw/zinc/80/48/50/498804850.db2.gz KMBQIWFPVDKHPP-JTQLQIEISA-N -2 3 373.780 3.281 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000324704529 498830629 /nfs/dbraw/zinc/83/06/29/498830629.db2.gz AMHICKBYCNNGQG-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000326628479 498845238 /nfs/dbraw/zinc/84/52/38/498845238.db2.gz PJMASJSCQZNIGN-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC(C(C)(C)C(=O)[O-])CC3)nc2)n1 ZINC000576282328 506120683 /nfs/dbraw/zinc/12/06/83/506120683.db2.gz CPCXNUIMGNJWEX-UHFFFAOYSA-N -2 3 370.453 3.134 20 0 FGADHL O=S(=O)([N-]c1ccc([C@@H]2CCOC2)cc1)c1cccc(Cl)c1[O-] ZINC000570400548 506159308 /nfs/dbraw/zinc/15/93/08/506159308.db2.gz HEOQBAYZSZMUTQ-GFCCVEGCSA-N -2 3 353.827 3.350 20 0 FGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000421162140 499977546 /nfs/dbraw/zinc/97/75/46/499977546.db2.gz YTFRDTYFZWYDNR-BBRMVZONSA-N -2 3 357.472 3.068 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1Cl ZINC000432678575 500547341 /nfs/dbraw/zinc/54/73/41/500547341.db2.gz FKHOHHLFTPILPI-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL COc1cc2c(c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c1)O[C@H](C)C2 ZINC000443443953 500725256 /nfs/dbraw/zinc/72/52/56/500725256.db2.gz NXPHOGWVDBWYDG-DUMNWFOQSA-N -2 3 370.405 3.010 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000436480666 501135718 /nfs/dbraw/zinc/13/57/18/501135718.db2.gz ZHGUTWNWYUNNEM-UHFFFAOYSA-N -2 3 361.828 3.003 20 0 FGADHL COC(=O)c1cccc2nc(NC(=O)c3cc(F)cc(Cl)c3[O-])[n-]c21 ZINC000436883265 501227215 /nfs/dbraw/zinc/22/72/15/501227215.db2.gz COFGKBFXWWEPCJ-UHFFFAOYSA-N -2 3 363.732 3.100 20 0 FGADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc(Cl)c3[O-])nc21 ZINC000436883265 501227216 /nfs/dbraw/zinc/22/72/16/501227216.db2.gz COFGKBFXWWEPCJ-UHFFFAOYSA-N -2 3 363.732 3.100 20 0 FGADHL O=S(=O)(CCC1CCCC1)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000450977176 501236414 /nfs/dbraw/zinc/23/64/14/501236414.db2.gz GWBRIVQYQCVGSD-UHFFFAOYSA-N -2 3 366.512 3.419 20 0 FGADHL Cc1ccc(-c2nc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)n[n-]2)o1 ZINC000474922471 501991727 /nfs/dbraw/zinc/99/17/27/501991727.db2.gz OKIZDDAWFMMCCP-UHFFFAOYSA-N -2 3 353.313 3.420 20 0 FGADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)cc1C ZINC000478719626 502067640 /nfs/dbraw/zinc/06/76/40/502067640.db2.gz IIHIBAJMEVPYDN-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2s1 ZINC000479287854 502215339 /nfs/dbraw/zinc/21/53/39/502215339.db2.gz SLGLXVOXIRLCBM-UHFFFAOYSA-N -2 3 371.827 3.085 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000469127589 502308715 /nfs/dbraw/zinc/30/87/15/502308715.db2.gz YDGAUTPQHHOWNZ-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccc(C)cc3C)c2)c1 ZINC000466402785 502559649 /nfs/dbraw/zinc/55/96/49/502559649.db2.gz AWANBVQGGUKLAL-UHFFFAOYSA-N -2 3 373.434 3.004 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Br ZINC000484591142 502678282 /nfs/dbraw/zinc/67/82/82/502678282.db2.gz PEPASYHAYMPHDH-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc2[nH]ncc21 ZINC000499271442 503370366 /nfs/dbraw/zinc/37/03/66/503370366.db2.gz HNXMSLCTGZFORO-UHFFFAOYSA-N -2 3 373.434 3.494 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000582700457 506371323 /nfs/dbraw/zinc/37/13/23/506371323.db2.gz GHNBCKTVZUFTSM-SECBINFHSA-N -2 3 371.352 3.156 20 0 FGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500310371 503600355 /nfs/dbraw/zinc/60/03/55/503600355.db2.gz HZRSFUJDHBTMHA-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1Cl ZINC000530526810 503998859 /nfs/dbraw/zinc/99/88/59/503998859.db2.gz UNCPUFJEEKOJEK-OAHLLOKOSA-N -2 3 365.794 3.190 20 0 FGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000534028160 504020105 /nfs/dbraw/zinc/02/01/05/504020105.db2.gz HPIIEMSBLQJKJL-UHFFFAOYSA-N -2 3 355.843 3.415 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000530718333 504064143 /nfs/dbraw/zinc/06/41/43/504064143.db2.gz YVBARBUFXFRJNV-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547572517 504149911 /nfs/dbraw/zinc/14/99/11/504149911.db2.gz CLQZMPIKLAFJBR-WMLDXEAASA-N -2 3 369.414 3.192 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547601942 504153590 /nfs/dbraw/zinc/15/35/90/504153590.db2.gz PTEXBMFNGXLALG-GFCCVEGCSA-N -2 3 361.872 3.332 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1 ZINC000538299138 504196280 /nfs/dbraw/zinc/19/62/80/504196280.db2.gz QXFOFERUVIHMCE-UHFFFAOYSA-N -2 3 372.402 3.389 20 0 FGADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000519394953 504211173 /nfs/dbraw/zinc/21/11/73/504211173.db2.gz UDIXYPGOZSYEOH-MNOVXSKESA-N -2 3 359.856 3.086 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000548217028 504370557 /nfs/dbraw/zinc/37/05/57/504370557.db2.gz KXWHDNUVZONUCD-ZDUSSCGKSA-N -2 3 354.255 3.081 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1F ZINC000548262505 504377875 /nfs/dbraw/zinc/37/78/75/504377875.db2.gz MPSFBMXHGBBNHX-BDJLRTHQSA-N -2 3 369.389 3.014 20 0 FGADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1F ZINC000548263812 504377997 /nfs/dbraw/zinc/37/79/97/504377997.db2.gz VWWMLSYCIIQANP-UHFFFAOYSA-N -2 3 359.325 3.052 20 0 FGADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000562621708 504883696 /nfs/dbraw/zinc/88/36/96/504883696.db2.gz HPHINYWGISOQOB-KRWDZBQOSA-N -2 3 353.418 3.310 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000557381832 505121849 /nfs/dbraw/zinc/12/18/49/505121849.db2.gz ONYMGLQSWCCMHI-LBPRGKRZSA-N -2 3 364.206 3.081 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1CC(=O)[O-] ZINC000566872296 505296750 /nfs/dbraw/zinc/29/67/50/505296750.db2.gz CLKNUVJNNLMJTD-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)cc1C(=O)[O-] ZINC000564653887 505483224 /nfs/dbraw/zinc/48/32/24/505483224.db2.gz TXSICEPBNPVYMK-INIZCTEOSA-N -2 3 367.398 3.245 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1cc(F)ccc1F ZINC000567797154 505563821 /nfs/dbraw/zinc/56/38/21/505563821.db2.gz NJSHNSUBSYENIZ-CYBMUJFWSA-N -2 3 373.377 3.302 20 0 FGADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000614785409 507652283 /nfs/dbraw/zinc/65/22/83/507652283.db2.gz BHSVUQWBABVJOQ-UHFFFAOYSA-N -2 3 361.419 3.244 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)cc2)o1 ZINC000740176666 599777178 /nfs/dbraw/zinc/77/71/78/599777178.db2.gz OKXCVZFRFIMSNP-UHFFFAOYSA-N -2 3 373.386 3.249 20 0 FGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000326731588 600544323 /nfs/dbraw/zinc/54/43/23/600544323.db2.gz HFIZDROJZJOGGL-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000833027450 601219297 /nfs/dbraw/zinc/21/92/97/601219297.db2.gz UFCYUOQFLOVTGW-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc(F)c1F ZINC000751141182 601829997 /nfs/dbraw/zinc/82/99/97/601829997.db2.gz BIYMIOZZRROQHU-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC[C@@H]3CNC(=O)[O-])nc2)n1 ZINC000827556863 603199313 /nfs/dbraw/zinc/19/93/13/603199313.db2.gz OCDJDIYCVAATTD-DOMZBBRYSA-N -2 3 371.441 3.045 20 0 FGADHL O=C([O-])Nc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833291774 604712986 /nfs/dbraw/zinc/71/29/86/604712986.db2.gz SEDJMPQFIUFAEN-UHFFFAOYSA-N -2 3 365.183 3.175 20 0 FGADHL CCc1cccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1[O-] ZINC000830259714 604788053 /nfs/dbraw/zinc/78/80/53/604788053.db2.gz FQXRSUVBUGZEOZ-UHFFFAOYSA-N -2 3 368.433 3.370 20 0 FGADHL COC(=O)Nc1ccc(C(=O)OCc2cccc(NC(=O)[O-])c2)cc1[O-] ZINC000828715136 605550786 /nfs/dbraw/zinc/55/07/86/605550786.db2.gz XDKBQVPZJKVXBW-UHFFFAOYSA-N -2 3 360.322 3.017 20 0 FGADHL Cc1ccccc1-c1nc(=NCc2cc(=O)[n-]c(C3CCC3)n2)s[n-]1 ZINC000641682317 717920163 /nfs/dbraw/zinc/92/01/63/717920163.db2.gz XVJGFOUOCQSQMV-UHFFFAOYSA-N -2 3 353.451 3.311 20 0 FGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])C1CCCC1 ZINC000656623810 719423955 /nfs/dbraw/zinc/42/39/55/719423955.db2.gz HQOQMDPRLIFVAC-AWEZNQCLSA-N -2 3 367.389 3.358 20 0 FGADHL O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc([O-])c(F)c3)nc2c1 ZINC000755586068 722954637 /nfs/dbraw/zinc/95/46/37/722954637.db2.gz DSTDXCSNKZNGHP-WZUFQYTHSA-N -2 3 360.728 3.203 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])sc1Cl ZINC000788696576 725081854 /nfs/dbraw/zinc/08/18/54/725081854.db2.gz FWGWKCUCJMMAFW-LLVKDONJSA-N -2 3 365.904 3.269 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)C2=CCCCC2)c(OC(F)(F)F)c1 ZINC000829921256 729523168 /nfs/dbraw/zinc/52/31/68/729523168.db2.gz JOJHHJXGHXLHHA-UHFFFAOYSA-N -2 3 365.329 3.483 20 0 FGADHL CCC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000843817019 730657094 /nfs/dbraw/zinc/65/70/94/730657094.db2.gz LWRWTAOJZAKMMO-SECBINFHSA-N -2 3 364.183 3.256 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1C ZINC000013078642 206300241 /nfs/dbraw/zinc/30/02/41/206300241.db2.gz YRQLBENWWRHONF-UHFFFAOYSA-N -2 3 371.361 3.404 20 0 FGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2[O-])C2CC2)s1 ZINC000632033710 450598725 /nfs/dbraw/zinc/59/87/25/450598725.db2.gz WKMRUMXVRGNAQT-GFCCVEGCSA-N -2 3 358.872 3.240 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000068182795 493773745 /nfs/dbraw/zinc/77/37/45/493773745.db2.gz BFPAWRDKSHNFBD-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126710666 494824414 /nfs/dbraw/zinc/82/44/14/494824414.db2.gz WKVHCABGHRPMGX-UHFFFAOYSA-N -2 3 365.183 3.071 20 0 FGADHL Cc1nn(-c2ccccc2)c(=NC(=O)c2ccc(-c3ccccc3)nc2[O-])[n-]1 ZINC000577560340 505752136 /nfs/dbraw/zinc/75/21/36/505752136.db2.gz RNYUJMRHRBBBJB-UHFFFAOYSA-N -2 3 371.400 3.018 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000129772992 495293491 /nfs/dbraw/zinc/29/34/91/495293491.db2.gz DRXOMVNAIGOXLK-NSHDSACASA-N -2 3 366.247 3.159 20 0 FGADHL Cc1ccccc1CS(=O)(=O)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000180818903 496158231 /nfs/dbraw/zinc/15/82/31/496158231.db2.gz IGWNVYIIHCMOPF-UHFFFAOYSA-N -2 3 374.491 3.347 20 0 FGADHL CC(C)Cc1csc2[n-]c(COc3ccccc3C(=O)[O-])nc(=O)c12 ZINC000194399366 497653952 /nfs/dbraw/zinc/65/39/52/497653952.db2.gz SEQSFUGUOZUTBE-UHFFFAOYSA-N -2 3 358.419 3.460 20 0 FGADHL CC(C)c1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([O-])c1 ZINC000291028931 498763782 /nfs/dbraw/zinc/76/37/82/498763782.db2.gz FCGNGPDFLUIPEZ-GFCCVEGCSA-N -2 3 372.387 3.046 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000316184841 498787919 /nfs/dbraw/zinc/78/79/19/498787919.db2.gz ZAAGREUTKCICNA-UWVGGRQHSA-N -2 3 351.827 3.037 20 0 FGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000321719915 498813436 /nfs/dbraw/zinc/81/34/36/498813436.db2.gz QXOKTENEAYEUGG-QMMMGPOBSA-N -2 3 373.780 3.281 20 0 FGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000321981905 498814468 /nfs/dbraw/zinc/81/44/68/498814468.db2.gz COIMSERLJGYVAG-QMMMGPOBSA-N -2 3 373.780 3.281 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000324596557 498828710 /nfs/dbraw/zinc/82/87/10/498828710.db2.gz GAQLVNSYJCROTN-OAHLLOKOSA-N -2 3 351.399 3.019 20 0 FGADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000325276389 498836203 /nfs/dbraw/zinc/83/62/03/498836203.db2.gz NNNQTLUXFHNJQM-UHFFFAOYSA-N -2 3 367.810 3.082 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000327052564 498851601 /nfs/dbraw/zinc/85/16/01/498851601.db2.gz ZBOOSQXMSCJMIA-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(C(F)(F)F)c(F)c1 ZINC000579313787 506143497 /nfs/dbraw/zinc/14/34/97/506143497.db2.gz JUQIGNABUZSYNU-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000391437833 499556948 /nfs/dbraw/zinc/55/69/48/499556948.db2.gz QNGHBOVNHQOTTA-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000391305096 499557086 /nfs/dbraw/zinc/55/70/86/499557086.db2.gz UVXGXVDESPICOY-LBPRGKRZSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000392292021 499558451 /nfs/dbraw/zinc/55/84/51/499558451.db2.gz LZMYSSMMTHJGBS-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL Cc1nc(C=Cc2ccccc2-c2ccnn2C)[n-]c(=O)c1CCC(=O)[O-] ZINC000431164218 500343626 /nfs/dbraw/zinc/34/36/26/500343626.db2.gz UGDJQIIONJUPCC-CLFYSBASSA-N -2 3 364.405 3.079 20 0 FGADHL Cc1nc(C=Cc2ccccc2-c2ccnn2C)[n-]c(=O)c1CCC(=O)[O-] ZINC000431164219 500343878 /nfs/dbraw/zinc/34/38/78/500343878.db2.gz UGDJQIIONJUPCC-VQHVLOKHSA-N -2 3 364.405 3.079 20 0 FGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000427236772 500371746 /nfs/dbraw/zinc/37/17/46/500371746.db2.gz AHTCNLKNWNUVIK-JTQLQIEISA-N -2 3 365.373 3.018 20 0 FGADHL O=S(=O)(CCOCC1CC1)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000424058555 500445084 /nfs/dbraw/zinc/44/50/84/500445084.db2.gz DQZYZTHLCLMINY-UHFFFAOYSA-N -2 3 361.463 3.151 20 0 FGADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432769656 500560754 /nfs/dbraw/zinc/56/07/54/500560754.db2.gz DFDAQHBBSNWADS-ZDUSSCGKSA-N -2 3 362.451 3.132 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000447270892 500583259 /nfs/dbraw/zinc/58/32/59/500583259.db2.gz NOFHERGJZMMMNV-UHFFFAOYSA-N -2 3 351.424 3.297 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CC(c3cccc(Cl)c3)C2)c1 ZINC000443067891 500673640 /nfs/dbraw/zinc/67/36/40/500673640.db2.gz HARYPQZVOJHFGB-UHFFFAOYSA-N -2 3 371.867 3.324 20 0 FGADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436480466 501135678 /nfs/dbraw/zinc/13/56/78/501135678.db2.gz WKGGQEIOUHCMHC-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000436557325 501156168 /nfs/dbraw/zinc/15/61/68/501156168.db2.gz TYDVOXSZOORICB-JTQLQIEISA-N -2 3 373.796 3.307 20 0 FGADHL CCC(CC)n1ccc(C(=O)N=c2nc(-c3ccc([O-])c(Cl)c3)[nH][n-]2)n1 ZINC000450697288 501187928 /nfs/dbraw/zinc/18/79/28/501187928.db2.gz NCIUIXCYSCZCRQ-UHFFFAOYSA-N -2 3 374.832 3.063 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc(C)c1Cl ZINC000442221252 501208767 /nfs/dbraw/zinc/20/87/67/501208767.db2.gz LIRDBEHGYYYGQE-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc(C(=O)[O-])c1C ZINC000471108737 501922945 /nfs/dbraw/zinc/92/29/45/501922945.db2.gz RLSMDGJNLKIELV-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481961296 501929036 /nfs/dbraw/zinc/92/90/36/501929036.db2.gz YLDSVDRUVWXFRU-CYBMUJFWSA-N -2 3 363.435 3.292 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c1 ZINC000480234200 502509121 /nfs/dbraw/zinc/50/91/21/502509121.db2.gz WLCYSJOMBRRTLT-UHFFFAOYSA-N -2 3 367.398 3.130 20 0 FGADHL O=S(=O)([N-]Cc1ncccc1[O-])c1c(Cl)cc(Cl)cc1Cl ZINC000480753266 502661819 /nfs/dbraw/zinc/66/18/19/502661819.db2.gz IBJVCIMHIMGZHX-UHFFFAOYSA-N -2 3 367.641 3.226 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(Cl)c1 ZINC000505800853 502988829 /nfs/dbraw/zinc/98/88/29/502988829.db2.gz FGIUWSFOKAWTDF-UHFFFAOYSA-N -2 3 371.764 3.049 20 0 FGADHL COc1cc([O-])cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)c1 ZINC000504489777 503580961 /nfs/dbraw/zinc/58/09/61/503580961.db2.gz RUFQAANLNQKFLB-UHFFFAOYSA-N -2 3 365.158 3.206 20 0 FGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000504565173 503589133 /nfs/dbraw/zinc/58/91/33/503589133.db2.gz BGWPOGCMDMMXIB-UHFFFAOYSA-N -2 3 373.780 3.282 20 0 FGADHL Cc1nc(C=Cc2ccc(-c3ccncc3)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504713690 503607372 /nfs/dbraw/zinc/60/73/72/503607372.db2.gz YGTIGXUGCPUCKK-PLNGDYQASA-N -2 3 365.364 3.489 20 0 FGADHL Cc1nc(C=Cc2ccc(F)cc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504719460 503608269 /nfs/dbraw/zinc/60/82/69/503608269.db2.gz AEEQDXROTLLZEW-HYXAFXHYSA-N -2 3 367.174 3.190 20 0 FGADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512733685 503623493 /nfs/dbraw/zinc/62/34/93/503623493.db2.gz NDVUCIUQVHROHE-UHFFFAOYSA-N -2 3 361.419 3.395 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)ccc2C)c1 ZINC000537197114 503836893 /nfs/dbraw/zinc/83/68/93/503836893.db2.gz LIUMKIUDUKKOQH-UHFFFAOYSA-N -2 3 372.240 3.273 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000537197931 503837758 /nfs/dbraw/zinc/83/77/58/503837758.db2.gz MNJRQLDEAWIHRZ-UHFFFAOYSA-N -2 3 364.810 3.403 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(Cl)c1 ZINC000547569440 504149597 /nfs/dbraw/zinc/14/95/97/504149597.db2.gz LUYZGDAIFPJJNV-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)CC(=O)[O-] ZINC000547611897 504155588 /nfs/dbraw/zinc/15/55/88/504155588.db2.gz XGJBOUAHBVJYQQ-NSHDSACASA-N -2 3 355.843 3.272 20 0 FGADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC000547610336 504155725 /nfs/dbraw/zinc/15/57/25/504155725.db2.gz MAWXYMLJWHBTQP-GFCCVEGCSA-N -2 3 374.418 3.348 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000547617507 504156744 /nfs/dbraw/zinc/15/67/44/504156744.db2.gz WGCWZWGYZBMURM-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1C(=O)[O-] ZINC000538257667 504179491 /nfs/dbraw/zinc/17/94/91/504179491.db2.gz NZIURQQAZUTLKW-UHFFFAOYSA-N -2 3 372.402 3.189 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000547887160 504257973 /nfs/dbraw/zinc/25/79/73/504257973.db2.gz NHCBMVKDXSZLGX-UHFFFAOYSA-N -2 3 357.403 3.050 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000547885256 504258248 /nfs/dbraw/zinc/25/82/48/504258248.db2.gz RPJLSDNUTPXQPN-SECBINFHSA-N -2 3 359.831 3.174 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c1Cl ZINC000547886078 504258750 /nfs/dbraw/zinc/25/87/50/504258750.db2.gz NTORKLASNHIRBC-UHFFFAOYSA-N -2 3 368.282 3.471 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000547892090 504259082 /nfs/dbraw/zinc/25/90/82/504259082.db2.gz WPWYSAPIXPQPCW-UHFFFAOYSA-N -2 3 371.352 3.014 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(Cl)cc1F ZINC000547897482 504259554 /nfs/dbraw/zinc/25/95/54/504259554.db2.gz XBMGXGCMFRMMPN-NSHDSACASA-N -2 3 365.854 3.203 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(F)c1 ZINC000547901679 504260401 /nfs/dbraw/zinc/26/04/01/504260401.db2.gz JUMODMGOIYZORS-OAHLLOKOSA-N -2 3 371.817 3.200 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c1Cl ZINC000548290987 504388105 /nfs/dbraw/zinc/38/81/05/504388105.db2.gz UJFQTUGZXXPRIC-SECBINFHSA-N -2 3 368.282 3.470 20 0 FGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2n[n-]c(=NCCc3ccccc3)s2)n1 ZINC000532012672 504504779 /nfs/dbraw/zinc/50/47/79/504504779.db2.gz LMBVEWGBZNIZLD-LBPRGKRZSA-N -2 3 373.507 3.272 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000542722218 504587890 /nfs/dbraw/zinc/58/78/90/504587890.db2.gz BDWMMMXWMPRHEI-ZDUSSCGKSA-N -2 3 363.435 3.068 20 0 FGADHL COc1cccc(-c2nc(=NC(=O)c3cc([O-])ccc3Cl)s[n-]2)c1 ZINC000559713708 504913755 /nfs/dbraw/zinc/91/37/55/504913755.db2.gz ZFPMMFCLEITPOG-UHFFFAOYSA-N -2 3 361.810 3.247 20 0 FGADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1nn[n-]c1-c1ccccc1 ZINC000554870848 505286217 /nfs/dbraw/zinc/28/62/17/505286217.db2.gz KJIAHILAYBZNAV-UHFFFAOYSA-N -2 3 370.825 3.251 20 0 FGADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1[n-]nnc1-c1ccccc1 ZINC000554870848 505286221 /nfs/dbraw/zinc/28/62/21/505286221.db2.gz KJIAHILAYBZNAV-UHFFFAOYSA-N -2 3 370.825 3.251 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccsc1)c1c(Cl)cccc1Cl ZINC000551998745 505366680 /nfs/dbraw/zinc/36/66/80/505366680.db2.gz UJOMFVZDNJELHR-LLVKDONJSA-N -2 3 366.247 3.159 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000583786319 506971603 /nfs/dbraw/zinc/97/16/03/506971603.db2.gz IVMNBIZONSKEPS-QPUJVOFHSA-N -2 3 371.402 3.079 20 0 FGADHL O=C(Nc1cc(I)ccc1[O-])c1ccc([O-])c(F)c1 ZINC000613517924 507131207 /nfs/dbraw/zinc/13/12/07/507131207.db2.gz ZOSALHUBTPFUIP-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL O=C(N=c1[n-]nc(CC(F)(F)F)s1)c1cc(-c2cccs2)[n-]n1 ZINC000484948094 514853675 /nfs/dbraw/zinc/85/36/75/514853675.db2.gz KDEKFPBWKGCEPT-UHFFFAOYSA-N -2 3 359.358 3.347 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000740174232 599771411 /nfs/dbraw/zinc/77/14/11/599771411.db2.gz WIXCGCXKXXKLOV-INIZCTEOSA-N -2 3 367.398 3.327 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000185006849 599802546 /nfs/dbraw/zinc/80/25/46/599802546.db2.gz LQOPGLBTOCAPDW-NSHDSACASA-N -2 3 374.871 3.233 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CSCC(=O)[O-])c1 ZINC000738401770 599927384 /nfs/dbraw/zinc/92/73/84/599927384.db2.gz HXFLYQRAVRXJCK-UHFFFAOYSA-N -2 3 369.439 3.253 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000832991554 601020203 /nfs/dbraw/zinc/02/02/03/601020203.db2.gz VUWFJLBFGQVTAP-CQSZACIVSA-N -2 3 372.425 3.026 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000833027213 601214653 /nfs/dbraw/zinc/21/46/53/601214653.db2.gz FLUIDNSCQQLNAL-UHFFFAOYSA-N -2 3 371.414 3.354 20 0 FGADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000826727034 601234691 /nfs/dbraw/zinc/23/46/91/601234691.db2.gz HATPFVXJOOWSRU-WDEREUQCSA-N -2 3 361.410 3.156 20 0 FGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000828811065 601268294 /nfs/dbraw/zinc/26/82/94/601268294.db2.gz ZFMARMZWJGCRSX-UHFFFAOYSA-N -2 3 371.352 3.156 20 0 FGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776552198 601962946 /nfs/dbraw/zinc/96/29/46/601962946.db2.gz OTBCXVCJWIXOFN-UHFFFAOYSA-N -2 3 369.270 3.092 20 0 FGADHL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000740624891 603195399 /nfs/dbraw/zinc/19/53/99/603195399.db2.gz OHNOUWBOOZANRE-AWEZNQCLSA-N -2 3 370.405 3.304 20 0 FGADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000829187561 603647910 /nfs/dbraw/zinc/64/79/10/603647910.db2.gz KTFTXQVMUFCDCT-UHFFFAOYSA-N -2 3 368.748 3.213 20 0 FGADHL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833505233 604732825 /nfs/dbraw/zinc/73/28/25/604732825.db2.gz YATNHXFBDKUGPB-QGZVFWFLSA-N -2 3 373.405 3.135 20 0 FGADHL C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833568655 604808414 /nfs/dbraw/zinc/80/84/14/604808414.db2.gz GYMFHNUHXQZEHJ-YMTOWFKASA-N -2 3 366.266 3.305 20 0 FGADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833471383 605015373 /nfs/dbraw/zinc/01/53/73/605015373.db2.gz QUAKTTNUEOFRLJ-GFCCVEGCSA-N -2 3 374.871 3.170 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1sccc1-c1nnn[n-]1 ZINC000826451475 608387180 /nfs/dbraw/zinc/38/71/80/608387180.db2.gz IJWXYUMHKGRHTQ-UHFFFAOYSA-N -2 3 356.194 3.193 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1sccc1-c1nn[n-]n1 ZINC000826451475 608387182 /nfs/dbraw/zinc/38/71/82/608387182.db2.gz IJWXYUMHKGRHTQ-UHFFFAOYSA-N -2 3 356.194 3.193 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1c([O-])cc(F)cc1F ZINC000151555652 704928529 /nfs/dbraw/zinc/92/85/29/704928529.db2.gz QGYNNROUOCNGOK-UHFFFAOYSA-N -2 3 358.138 3.069 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1C ZINC000523873762 714256807 /nfs/dbraw/zinc/25/68/07/714256807.db2.gz ZMIVVTLXCSYOFD-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1Cl ZINC000650432123 718676866 /nfs/dbraw/zinc/67/68/66/718676866.db2.gz OFBAZMNPMNKRRJ-SNVBAGLBSA-N -2 3 366.266 3.081 20 0 FGADHL CSc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000681573570 722211843 /nfs/dbraw/zinc/21/18/43/722211843.db2.gz DNHMBZBVBLISGF-UHFFFAOYSA-N -2 3 359.375 3.186 20 0 FGADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761289938 723140852 /nfs/dbraw/zinc/14/08/52/723140852.db2.gz JWQRUPJLRQAMMM-XVKPBYJWSA-N -2 3 352.239 3.159 20 0 FGADHL COc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1F ZINC000769888763 723699095 /nfs/dbraw/zinc/69/90/95/723699095.db2.gz FLTDBKYPJZVBFO-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1csnc1-c1ccccc1 ZINC000821190667 729067458 /nfs/dbraw/zinc/06/74/58/729067458.db2.gz DXDACBCAMVQEHO-UHFFFAOYSA-N -2 3 350.396 3.456 20 0 FGADHL O=C([O-])C1CCC(CC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000911595935 757190800 /nfs/dbraw/zinc/19/08/00/757190800.db2.gz SMDRJXIQFUZJAA-UHFFFAOYSA-N -2 3 370.243 3.052 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000579833036 505629375 /nfs/dbraw/zinc/62/93/75/505629375.db2.gz FUBNLWJJBCONHK-MRVPVSSYSA-N -2 3 374.509 3.240 20 0 FGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCC1 ZINC000571069370 505646476 /nfs/dbraw/zinc/64/64/76/505646476.db2.gz IPQRBLAICDRIGH-UHFFFAOYSA-N -2 3 353.827 3.026 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)n1 ZINC000055621146 494374844 /nfs/dbraw/zinc/37/48/44/494374844.db2.gz INZIXKMIOLQVOV-UHFFFAOYSA-N -2 3 369.446 3.109 20 0 FGADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC(C)(C)C ZINC000574199686 505718275 /nfs/dbraw/zinc/71/82/75/505718275.db2.gz ARHDMJKNWRCINT-SNVBAGLBSA-N -2 3 361.435 3.026 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000152931176 496299245 /nfs/dbraw/zinc/29/92/45/496299245.db2.gz RLIXLEZZHQEXFE-UHFFFAOYSA-N -2 3 359.325 3.165 20 0 FGADHL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000181244187 496326345 /nfs/dbraw/zinc/32/63/45/496326345.db2.gz UZBKQKPXRJJIPP-UHFFFAOYSA-N -2 3 372.446 3.220 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C)c(C)c1CC(=O)[O-] ZINC000181279561 496338626 /nfs/dbraw/zinc/33/86/26/496338626.db2.gz FOMTVSSVHBHGJJ-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185008404 496620830 /nfs/dbraw/zinc/62/08/30/496620830.db2.gz AOVXZXJNOVWWRC-GFCCVEGCSA-N -2 3 374.871 3.233 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000574858496 505870383 /nfs/dbraw/zinc/87/03/83/505870383.db2.gz ONRUWFBSBYWJDJ-CYBMUJFWSA-N -2 3 373.402 3.080 20 0 FGADHL CCc1oc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)cc1C(=O)[O-] ZINC000261599157 497416266 /nfs/dbraw/zinc/41/62/66/497416266.db2.gz AVMREMRJNIANHM-UHFFFAOYSA-N -2 3 363.391 3.286 20 0 FGADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263161527 497721267 /nfs/dbraw/zinc/72/12/67/497721267.db2.gz ILBTUHVCMBPZPC-WMLDXEAASA-N -2 3 353.418 3.308 20 0 FGADHL C[C@@H](Sc1n[nH]c(=O)[n-]1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000194629256 497722865 /nfs/dbraw/zinc/72/28/65/497722865.db2.gz ADXIEIOLAUWUNI-MRVPVSSYSA-N -2 3 371.447 3.329 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000297065856 498310829 /nfs/dbraw/zinc/31/08/29/498310829.db2.gz WNUYFTVXXMQJGC-JTQLQIEISA-N -2 3 365.423 3.284 20 0 FGADHL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000582006268 506111780 /nfs/dbraw/zinc/11/17/80/506111780.db2.gz FFTXHMVVLDCLRY-UHFFFAOYSA-N -2 3 369.336 3.387 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1Cl ZINC000383753699 499547212 /nfs/dbraw/zinc/54/72/12/499547212.db2.gz QKJAGXIQKDEIJQ-UHFFFAOYSA-N -2 3 367.810 3.164 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000386929999 499549441 /nfs/dbraw/zinc/54/94/41/499549441.db2.gz REVKHIMQWIGYIZ-ZDUSSCGKSA-N -2 3 373.858 3.048 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000387006105 499549623 /nfs/dbraw/zinc/54/96/23/499549623.db2.gz AFZPFFUEHIIOBT-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000391381556 499556969 /nfs/dbraw/zinc/55/69/69/499556969.db2.gz WVRZPBLIGHVCMW-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000392635524 499559024 /nfs/dbraw/zinc/55/90/24/499559024.db2.gz IMWJBIAWTXKRRM-UHFFFAOYSA-N -2 3 363.435 3.048 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c1 ZINC000427309106 500380203 /nfs/dbraw/zinc/38/02/03/500380203.db2.gz OKDXLZFXKWZRHR-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL CCC(CC)(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000424241377 500473956 /nfs/dbraw/zinc/47/39/56/500473956.db2.gz GMNZFJUBPRUETM-UHFFFAOYSA-N -2 3 355.847 3.412 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442236931 500573827 /nfs/dbraw/zinc/57/38/27/500573827.db2.gz VRMBGIYYLGJMOQ-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000436155661 501079572 /nfs/dbraw/zinc/07/95/72/501079572.db2.gz QPLQCBXMFVDWIT-UHFFFAOYSA-N -3 3 357.334 3.003 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1F ZINC000436480097 501135218 /nfs/dbraw/zinc/13/52/18/501135218.db2.gz YWIFQGJNRPFNDB-UHFFFAOYSA-N -2 3 365.304 3.360 20 0 FGADHL CC(C)(C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)no1 ZINC000450699537 501188370 /nfs/dbraw/zinc/18/83/70/501188370.db2.gz RBLNZTNULKVIFD-UHFFFAOYSA-N -2 3 361.789 3.369 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc(C(=O)[O-])c1C ZINC000471112932 501923957 /nfs/dbraw/zinc/92/39/57/501923957.db2.gz PDCPMBAEIMKVLD-UHFFFAOYSA-N -2 3 371.361 3.404 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000486049284 502030209 /nfs/dbraw/zinc/03/02/09/502030209.db2.gz ZVOUPBMDEGNQLG-UKRRQHHQSA-N -2 3 365.476 3.451 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498020978 503088764 /nfs/dbraw/zinc/08/87/64/503088764.db2.gz XZSVHXBTVRNXST-UHFFFAOYSA-N -2 3 366.414 3.453 20 0 FGADHL Cc1nc(C=Cc2cccc(OCC(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710642 503607519 /nfs/dbraw/zinc/60/75/19/503607519.db2.gz DLUXEQPHBFVAOU-AATRIKPKSA-N -2 3 368.311 3.229 20 0 FGADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1Br ZINC000504739442 503611045 /nfs/dbraw/zinc/61/10/45/503611045.db2.gz DBUNUAKGWHYTJE-XQRVVYSFSA-N -2 3 363.211 3.359 20 0 FGADHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000517791635 503838836 /nfs/dbraw/zinc/83/88/36/503838836.db2.gz QPABGBHUIMZMDQ-UHFFFAOYSA-N -2 3 373.789 3.125 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000530718165 504063621 /nfs/dbraw/zinc/06/36/21/504063621.db2.gz JTAFFVLHRKMDQO-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(F)c1 ZINC000547546317 504144947 /nfs/dbraw/zinc/14/49/47/504144947.db2.gz JCYXJOOJEHJVGL-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccsc1 ZINC000547608938 504155091 /nfs/dbraw/zinc/15/50/91/504155091.db2.gz DOWCWGXQUYEYDD-SNVBAGLBSA-N -2 3 366.247 3.159 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C1CCC1 ZINC000547609379 504155765 /nfs/dbraw/zinc/15/57/65/504155765.db2.gz VPHJHOXYZBANFH-AWEZNQCLSA-N -2 3 353.827 3.025 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c(C(=O)[O-])c1 ZINC000547615054 504156455 /nfs/dbraw/zinc/15/64/55/504156455.db2.gz MYZNYROQZJLAIB-UHFFFAOYSA-N -2 3 372.402 3.051 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000538258416 504178886 /nfs/dbraw/zinc/17/88/86/504178886.db2.gz XLHSJLDNNBOIGC-UHFFFAOYSA-N -2 3 360.435 3.094 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)c1 ZINC000538298959 504196375 /nfs/dbraw/zinc/19/63/75/504196375.db2.gz OEGYVKTZZFVPRP-UHFFFAOYSA-N -2 3 351.424 3.205 20 0 FGADHL O=C(Nc1cc(Br)ccc1[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000534700817 504217839 /nfs/dbraw/zinc/21/78/39/504217839.db2.gz QPTSBXADIUQHFO-UHFFFAOYSA-N -2 3 359.179 3.249 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1C ZINC000547869027 504254501 /nfs/dbraw/zinc/25/45/01/504254501.db2.gz HRWMWSZSVKNYNB-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000547879711 504256643 /nfs/dbraw/zinc/25/66/43/504256643.db2.gz VMGVNEKYFSQTJT-SECBINFHSA-N -2 3 368.282 3.409 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1F ZINC000547889477 504259420 /nfs/dbraw/zinc/25/94/20/504259420.db2.gz RQJXALVNUMTQRV-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000547912869 504262492 /nfs/dbraw/zinc/26/24/92/504262492.db2.gz DIRXLPUDDACSFT-SECBINFHSA-N -2 3 361.872 3.334 20 0 FGADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC000547931956 504265153 /nfs/dbraw/zinc/26/51/53/504265153.db2.gz PJYJIVITUJXGFM-UHFFFAOYSA-N -2 3 374.418 3.132 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(F)ccc1Br ZINC000535053859 504329553 /nfs/dbraw/zinc/32/95/53/504329553.db2.gz JHPDHZJGXUHYRY-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL C[C@@H](CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548546212 504480231 /nfs/dbraw/zinc/48/02/31/504480231.db2.gz ZRFKLCYTKBDBOP-NSHDSACASA-N -2 3 355.843 3.272 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000539367732 504543551 /nfs/dbraw/zinc/54/35/51/504543551.db2.gz OTNORGQSVDLCAN-UHFFFAOYSA-N -2 3 363.313 3.100 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000539398922 504557416 /nfs/dbraw/zinc/55/74/16/504557416.db2.gz GSQXUQRAYNUWMV-UHFFFAOYSA-N -2 3 355.415 3.453 20 0 FGADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000556931929 505021583 /nfs/dbraw/zinc/02/15/83/505021583.db2.gz NSTRYBNVNWUDME-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000556931929 505021589 /nfs/dbraw/zinc/02/15/89/505021589.db2.gz NSTRYBNVNWUDME-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC000566007604 505053172 /nfs/dbraw/zinc/05/31/72/505053172.db2.gz JDPWVRAOLKHOKR-VIFPVBQESA-N -2 3 374.871 3.151 20 0 FGADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC000566007603 505053543 /nfs/dbraw/zinc/05/35/43/505053543.db2.gz JDPWVRAOLKHOKR-SECBINFHSA-N -2 3 374.871 3.151 20 0 FGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000560418002 505077531 /nfs/dbraw/zinc/07/75/31/505077531.db2.gz LKEJHINPBKVVOX-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000567208654 505395177 /nfs/dbraw/zinc/39/51/77/505395177.db2.gz BPRRZUVRQGAUCP-SECBINFHSA-N -2 3 359.831 3.316 20 0 FGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000567499388 505481612 /nfs/dbraw/zinc/48/16/12/505481612.db2.gz WTOKDDITFZYOJN-UHFFFAOYSA-N -2 3 357.403 3.192 20 0 FGADHL COc1ccc([O-])c(C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)c1 ZINC000608469039 506577848 /nfs/dbraw/zinc/57/78/48/506577848.db2.gz RHTGRRFZFZPWJN-UHFFFAOYSA-N -2 3 357.797 3.427 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583737360 506944275 /nfs/dbraw/zinc/94/42/75/506944275.db2.gz QCMUOZLNPXHLFB-HZMBPMFUSA-N -2 3 363.838 3.181 20 0 FGADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000739533719 600320126 /nfs/dbraw/zinc/32/01/26/600320126.db2.gz VTFJGZWDWZTWKE-SFHVURJKSA-N -2 3 365.429 3.310 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(C)C)cc1C(=O)[O-] ZINC000833027538 601215278 /nfs/dbraw/zinc/21/52/78/601215278.db2.gz GTODWKGVVPOECC-OAHLLOKOSA-N -2 3 355.387 3.101 20 0 FGADHL Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832965836 601238508 /nfs/dbraw/zinc/23/85/08/601238508.db2.gz GEQGQNFMWCTYNK-NSHDSACASA-N -2 3 369.389 3.053 20 0 FGADHL Cc1cc(=O)[n-]c(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000832899218 602312051 /nfs/dbraw/zinc/31/20/51/602312051.db2.gz JWSGNQWLPKTHMZ-CQSZACIVSA-N -2 3 356.209 3.055 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)cc1C ZINC000829510660 603401596 /nfs/dbraw/zinc/40/15/96/603401596.db2.gz NAEJHFRZVXXZRK-LBPRGKRZSA-N -2 3 364.423 3.133 20 0 FGADHL O=C([O-])NCCCCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000832614350 604099224 /nfs/dbraw/zinc/09/92/24/604099224.db2.gz WFJONPQVSUURCG-UHFFFAOYSA-N -2 3 359.220 3.311 20 0 FGADHL CCOc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1OCC(=O)[O-] ZINC000833663562 604493583 /nfs/dbraw/zinc/49/35/83/604493583.db2.gz RMEYPZLBWMDEAN-UHFFFAOYSA-N -2 3 365.769 3.160 20 0 FGADHL Cc1ccc(-c2nc(NC(=O)CC[C@@H](NC(=O)[O-])c3ccccc3)n[n-]2)o1 ZINC000830161322 604585316 /nfs/dbraw/zinc/58/53/16/604585316.db2.gz YPTNUDRGDQOOLQ-CYBMUJFWSA-N -2 3 369.381 3.101 20 0 FGADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000834260895 605757038 /nfs/dbraw/zinc/75/70/38/605757038.db2.gz BLRLZVOMFRJYTQ-UHFFFAOYSA-N -2 3 360.313 3.136 20 0 FGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1csc2ccccc12 ZINC000826280035 609423501 /nfs/dbraw/zinc/42/35/01/609423501.db2.gz LPENINWICRBEKI-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000013262865 695609581 /nfs/dbraw/zinc/60/95/81/695609581.db2.gz BIBRKLCYMDOHON-UHFFFAOYSA-N -2 3 352.239 3.059 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc(C(=O)[O-])c1F ZINC000326958948 713821453 /nfs/dbraw/zinc/82/14/53/713821453.db2.gz LUPXQJONDDPWPR-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1C ZINC000523586893 714242423 /nfs/dbraw/zinc/24/24/23/714242423.db2.gz IZQUVIVUZAUNOY-UHFFFAOYSA-N -2 3 363.435 3.184 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000580069909 714504401 /nfs/dbraw/zinc/50/44/01/714504401.db2.gz FXAOBKXSDKRIEC-SNVBAGLBSA-N -2 3 351.877 3.103 20 0 FGADHL O=S(=O)(CCc1ccccc1Br)[N-]c1c([O-])cccc1F ZINC000642887257 717994977 /nfs/dbraw/zinc/99/49/77/717994977.db2.gz OZRIPQIVXPWEBP-UHFFFAOYSA-N -2 3 374.231 3.278 20 0 FGADHL CCOC(=O)c1ncc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])[n-]1 ZINC000618920474 714787617 /nfs/dbraw/zinc/78/76/17/714787617.db2.gz XRBKJVOVTCDBST-UHFFFAOYSA-N -2 3 359.769 3.351 20 0 FGADHL CCOC(=O)c1nc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])c[n-]1 ZINC000618920474 714787620 /nfs/dbraw/zinc/78/76/20/714787620.db2.gz XRBKJVOVTCDBST-UHFFFAOYSA-N -2 3 359.769 3.351 20 0 FGADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000753016415 722881679 /nfs/dbraw/zinc/88/16/79/722881679.db2.gz HVDLSHPHXFMJMT-UHFFFAOYSA-N -2 3 370.814 3.415 20 0 FGADHL CSCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761305732 723142788 /nfs/dbraw/zinc/14/27/88/723142788.db2.gz SYWSGBLPUUXXCN-ZETCQYMHSA-N -2 3 372.295 3.112 20 0 FGADHL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793387108 723432781 /nfs/dbraw/zinc/43/27/81/723432781.db2.gz AWMFZQGBCMYIRP-UHFFFAOYSA-N -2 3 367.398 3.170 20 0 FGADHL Cc1nc(SCc2cc(=O)oc3cc([O-])ccc23)[n-]c(=O)c1C1CC1 ZINC000865373423 733188053 /nfs/dbraw/zinc/18/80/53/733188053.db2.gz UHRKWBJFHQPMIB-UHFFFAOYSA-N -2 3 356.403 3.472 20 0 FGADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000909494874 744369585 /nfs/dbraw/zinc/36/95/85/744369585.db2.gz FXMTVFSBMRYWSD-NSHDSACASA-N -2 3 370.243 3.118 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000579833037 505628878 /nfs/dbraw/zinc/62/88/78/505628878.db2.gz FUBNLWJJBCONHK-QMMMGPOBSA-N -2 3 374.509 3.240 20 0 FGADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)CCOCC2CCCC2)cc1 ZINC000579930422 505648366 /nfs/dbraw/zinc/64/83/66/505648366.db2.gz HZSJZOKASANEAE-CQSZACIVSA-N -2 3 369.483 3.213 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000048382607 493823520 /nfs/dbraw/zinc/82/35/20/493823520.db2.gz ZVKFIZFLOIRBPJ-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000013269581 494283410 /nfs/dbraw/zinc/28/34/10/494283410.db2.gz XHECOZOKQWLXRV-UHFFFAOYSA-N -2 3 370.770 3.056 20 0 FGADHL O=c1cc(C(F)(F)F)nc(SCc2noc(-c3ccccc3[O-])n2)[n-]1 ZINC000127028201 494882301 /nfs/dbraw/zinc/88/23/01/494882301.db2.gz BYNDCHHCUCLNFD-UHFFFAOYSA-N -2 3 370.312 3.249 20 0 FGADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000093916918 494934756 /nfs/dbraw/zinc/93/47/56/494934756.db2.gz ZGMFFPKULAXEMO-UHFFFAOYSA-N -2 3 356.403 3.169 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc(OC(F)(F)F)c1 ZINC000127904585 495015374 /nfs/dbraw/zinc/01/53/74/495015374.db2.gz RQUUFJXPHQYLQG-UHFFFAOYSA-N -2 3 351.277 3.231 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)N([C@@H](C)C(=O)[O-])C3CCC3)cc2)cc(=O)[n-]1 ZINC000577690679 505775825 /nfs/dbraw/zinc/77/58/25/505775825.db2.gz CQWKACGGOYFBHT-NSHDSACASA-N -2 3 370.409 3.017 20 0 FGADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)s1 ZINC000181206460 496311861 /nfs/dbraw/zinc/31/18/61/496311861.db2.gz SXVVVLGPVJSVFV-VIFPVBQESA-N -2 3 374.871 3.151 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c1 ZINC000184940919 496593361 /nfs/dbraw/zinc/59/33/61/496593361.db2.gz FUKWGUWEJADEID-UHFFFAOYSA-N -2 3 363.366 3.057 20 0 FGADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000230350792 497104189 /nfs/dbraw/zinc/10/41/89/497104189.db2.gz BBEPFONWIJWKSM-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000569893724 506040525 /nfs/dbraw/zinc/04/05/25/506040525.db2.gz JMCJHLMWELAXSN-JTQLQIEISA-N -2 3 367.389 3.053 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000579003479 506072210 /nfs/dbraw/zinc/07/22/10/506072210.db2.gz IFUQCPZEKVAUDP-LLVKDONJSA-N -2 3 367.423 3.113 20 0 FGADHL O=C(NCc1ccc([O-])c(F)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363250751 498727919 /nfs/dbraw/zinc/72/79/19/498727919.db2.gz SHLTWFBNMDYGKH-UHFFFAOYSA-N -2 3 372.396 3.041 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000318151348 498795805 /nfs/dbraw/zinc/79/58/05/498795805.db2.gz WNEMLTPETYQHSB-RISCZKNCSA-N -2 3 366.266 3.305 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000325947331 498840391 /nfs/dbraw/zinc/84/03/91/498840391.db2.gz JVNSUWDGHAEQGU-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000404982083 499570745 /nfs/dbraw/zinc/57/07/45/499570745.db2.gz PVMPXFJGBVSQIY-OAHLLOKOSA-N -2 3 351.399 3.019 20 0 FGADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000579421109 506168877 /nfs/dbraw/zinc/16/88/77/506168877.db2.gz FAEZRXZJKGAJEG-VIFPVBQESA-N -2 3 371.402 3.079 20 0 FGADHL COc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)c(Br)c1[O-] ZINC000426837306 500327284 /nfs/dbraw/zinc/32/72/84/500327284.db2.gz WSYNJJGRHJABKG-LBPRGKRZSA-N -2 3 372.240 3.140 20 0 FGADHL Cc1ccc(C(=O)NCCc2nc(-c3ccc([O-])cc3Cl)no2)c([O-])c1 ZINC000445450082 500988271 /nfs/dbraw/zinc/98/82/71/500988271.db2.gz QQSANQHLXDWTBE-UHFFFAOYSA-N -2 3 373.796 3.082 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000436480811 501135188 /nfs/dbraw/zinc/13/51/88/501135188.db2.gz ZLCNALKRDATSRN-UHFFFAOYSA-N -2 3 369.464 3.339 20 0 FGADHL Cc1nc(C=Cc2cc(Br)ccc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000470261933 502718916 /nfs/dbraw/zinc/71/89/16/502718916.db2.gz XSIMFKARHBWDTK-DJWKRKHSSA-N -2 3 367.174 3.190 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)ccc1F ZINC000485048838 502809660 /nfs/dbraw/zinc/80/96/60/502809660.db2.gz KIURTKIHXGKRBP-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000515371544 503326242 /nfs/dbraw/zinc/32/62/42/503326242.db2.gz YPDYPDKFJCRYFG-SECBINFHSA-N -2 3 351.346 3.091 20 0 FGADHL COC(=O)c1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])[n-]1 ZINC000493023108 503401220 /nfs/dbraw/zinc/40/12/20/503401220.db2.gz AMCMRASBELSQBX-UHFFFAOYSA-N -2 3 373.590 3.175 20 0 FGADHL O=C([O-])c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000537036359 503784179 /nfs/dbraw/zinc/78/41/79/503784179.db2.gz XWXWCYVMZPLHLP-GFCCVEGCSA-N -2 3 367.448 3.034 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1F ZINC000540497918 503793204 /nfs/dbraw/zinc/79/32/04/503793204.db2.gz KZADILZFPNTBBG-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2C)c1 ZINC000546957263 503937251 /nfs/dbraw/zinc/93/72/51/503937251.db2.gz APEGVDPOFABVJE-PIGZYNQJSA-N -2 3 363.410 3.044 20 0 FGADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000544100488 504007195 /nfs/dbraw/zinc/00/71/95/504007195.db2.gz JANITNVJWNJIJF-UHFFFAOYSA-N -2 3 362.382 3.437 20 0 FGADHL CC(C)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)c([O-])c(C(C)C)c1 ZINC000518704894 504045851 /nfs/dbraw/zinc/04/58/51/504045851.db2.gz AKSXLTHFVFGSPM-UHFFFAOYSA-N -2 3 363.454 3.345 20 0 FGADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1F ZINC000547608325 504154406 /nfs/dbraw/zinc/15/44/06/504154406.db2.gz BTOHGAHHFDWOET-UHFFFAOYSA-N -2 3 359.325 3.052 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000534784242 504240016 /nfs/dbraw/zinc/24/00/16/504240016.db2.gz CECFYSRBMQUEKE-UHFFFAOYSA-N -2 3 363.366 3.057 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000547937799 504266328 /nfs/dbraw/zinc/26/63/28/504266328.db2.gz FSPHNHFBXZDWQL-ZJUUUORDSA-N -2 3 351.827 3.037 20 0 FGADHL CCc1ccc(CS(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000547937543 504265931 /nfs/dbraw/zinc/26/59/31/504265931.db2.gz KXLMREIUYDVXKJ-UHFFFAOYSA-N -2 3 355.362 3.167 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc3cccnc32)c(F)c1 ZINC000548199270 504367117 /nfs/dbraw/zinc/36/71/17/504367117.db2.gz NZGDZDJIFABJGL-UHFFFAOYSA-N -2 3 360.366 3.014 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000548269142 504378941 /nfs/dbraw/zinc/37/89/41/504378941.db2.gz NNAOWYUAXOAQFI-GFCCVEGCSA-N -2 3 359.831 3.030 20 0 FGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1F ZINC000531820675 504436277 /nfs/dbraw/zinc/43/62/77/504436277.db2.gz CFIRDPAKOYNHHQ-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000548525836 504478448 /nfs/dbraw/zinc/47/84/48/504478448.db2.gz OPQXGNRVZJGREB-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000548539575 504479377 /nfs/dbraw/zinc/47/93/77/504479377.db2.gz DIYYHXFXBNIOBR-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL Cc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1OC(F)F ZINC000556779283 504971808 /nfs/dbraw/zinc/97/18/08/504971808.db2.gz SHMWKDRJPRMTFZ-VOTSOKGWSA-N -2 3 350.321 3.198 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000566005053 505052193 /nfs/dbraw/zinc/05/21/93/505052193.db2.gz OZONVPOFFQTIBU-UFBFGSQYSA-N -2 3 354.255 3.017 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1nc(C)cs1 ZINC000566176227 505105289 /nfs/dbraw/zinc/10/52/89/505105289.db2.gz IQBBHGOLOJPJEK-NSHDSACASA-N -2 3 374.871 3.233 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)CCC(F)(F)F)cc(Cl)c1Cl ZINC000566835558 505286024 /nfs/dbraw/zinc/28/60/24/505286024.db2.gz KWTYSWBVDKMZKH-UHFFFAOYSA-N -2 3 366.144 3.386 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000552006741 505368129 /nfs/dbraw/zinc/36/81/29/505368129.db2.gz UBYVWIJLULGCLL-HUUCEWRRSA-N -2 3 365.476 3.451 20 0 FGADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-])C1CC1 ZINC000567369444 505443829 /nfs/dbraw/zinc/44/38/29/505443829.db2.gz QIPSVVHLKYNTCS-MEBBXXQBSA-N -2 3 367.854 3.271 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC000564917671 505557652 /nfs/dbraw/zinc/55/76/52/505557652.db2.gz AGFKRPRMFAMWMT-CQSZACIVSA-N -2 3 373.377 3.322 20 0 FGADHL C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000564976695 505565145 /nfs/dbraw/zinc/56/51/45/505565145.db2.gz BAMCOBWGCISXLX-KBXCAEBGSA-N -2 3 369.417 3.154 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000607030585 507588770 /nfs/dbraw/zinc/58/87/70/507588770.db2.gz INZCPXKZIALVEV-UHFFFAOYSA-N -2 3 363.435 3.167 20 0 FGADHL O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000484288044 514616781 /nfs/dbraw/zinc/61/67/81/514616781.db2.gz OCUUKGOSSTXFHM-UHFFFAOYSA-N -2 3 363.402 3.345 20 0 FGADHL O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000484288044 514616789 /nfs/dbraw/zinc/61/67/89/514616789.db2.gz OCUUKGOSSTXFHM-UHFFFAOYSA-N -2 3 363.402 3.345 20 0 FGADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000737294448 598409375 /nfs/dbraw/zinc/40/93/75/598409375.db2.gz OQHVQROLUXISEC-UHFFFAOYSA-N -2 3 364.192 3.440 20 0 FGADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000737294448 598409376 /nfs/dbraw/zinc/40/93/76/598409376.db2.gz OQHVQROLUXISEC-UHFFFAOYSA-N -2 3 364.192 3.440 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1O ZINC000740226928 600392231 /nfs/dbraw/zinc/39/22/31/600392231.db2.gz FUJRFZYCWPXISO-HJWRWDBZSA-N -2 3 353.783 3.156 20 0 FGADHL O=C([O-])C[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000833218490 600762654 /nfs/dbraw/zinc/76/26/54/600762654.db2.gz YDDMJQVTBPEEDY-HNNXBMFYSA-N -2 3 351.402 3.490 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000321203564 600775280 /nfs/dbraw/zinc/77/52/80/600775280.db2.gz HIPRIBOTPKUDAT-GFCCVEGCSA-N -2 3 374.245 3.140 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000323692988 600776373 /nfs/dbraw/zinc/77/63/73/600776373.db2.gz JIIZQYOBJHUSTM-NSHDSACASA-N -2 3 374.245 3.140 20 0 FGADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000826727031 601234605 /nfs/dbraw/zinc/23/46/05/601234605.db2.gz HATPFVXJOOWSRU-GHMZBOCLSA-N -2 3 361.410 3.156 20 0 FGADHL CCc1cccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1[O-] ZINC000830259900 601289641 /nfs/dbraw/zinc/28/96/41/601289641.db2.gz JLHUOUWREYAXHC-CQSZACIVSA-N -2 3 368.433 3.004 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000833027067 601394974 /nfs/dbraw/zinc/39/49/74/601394974.db2.gz AVQIZYXTCWRMRV-SSDOTTSWSA-N -2 3 361.778 3.118 20 0 FGADHL C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739164840 602869043 /nfs/dbraw/zinc/86/90/43/602869043.db2.gz KTUDIXJOZVOBQB-KSSFIOAISA-N -2 3 368.433 3.101 20 0 FGADHL CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cc(F)c([O-])c(F)c1 ZINC000825353334 607974861 /nfs/dbraw/zinc/97/48/61/607974861.db2.gz VTCZMYGGBWPHHV-UHFFFAOYSA-N -2 3 356.336 3.277 20 0 FGADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000824323752 608760721 /nfs/dbraw/zinc/76/07/21/608760721.db2.gz AQZHRQGNIGPMPI-UHFFFAOYSA-N -2 3 373.800 3.265 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000646032433 718259289 /nfs/dbraw/zinc/25/92/89/718259289.db2.gz OIWPWADLLZOAOD-PWSUYJOCSA-N -2 3 371.842 3.316 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000681556761 722211037 /nfs/dbraw/zinc/21/10/37/722211037.db2.gz DITOKLNOAXWBOO-SNVBAGLBSA-N -2 3 363.819 3.035 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000761286499 723140404 /nfs/dbraw/zinc/14/04/04/723140404.db2.gz JRFCNSNCQQHTAD-LLVKDONJSA-N -2 3 369.389 3.135 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1c([O-])cccc1Cl ZINC000768294164 723653186 /nfs/dbraw/zinc/65/31/86/723653186.db2.gz BPVQARSWIKWBGE-UHFFFAOYSA-N -2 3 356.603 3.444 20 0 FGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(Cl)c3[O-])cc2)n1 ZINC000775671882 724020451 /nfs/dbraw/zinc/02/04/51/724020451.db2.gz JUHJBNNDCIDGDY-UHFFFAOYSA-N -2 3 355.781 3.357 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1cccs1 ZINC000899918278 743027537 /nfs/dbraw/zinc/02/75/37/743027537.db2.gz LSOZDHWGIVUALI-MRVPVSSYSA-N -2 3 367.420 3.242 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Cl)cc1F ZINC000906895505 744169454 /nfs/dbraw/zinc/16/94/54/744169454.db2.gz VZJXGSKHUFIYBE-SSDOTTSWSA-N -2 3 371.764 3.034 20 0 FGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])s2)cs1 ZINC000270491409 257373667 /nfs/dbraw/zinc/37/36/67/257373667.db2.gz MAGQMDZSJGPLOY-UHFFFAOYSA-N -2 3 374.509 3.103 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1C(=O)[O-] ZINC000042794891 494245256 /nfs/dbraw/zinc/24/52/56/494245256.db2.gz NDNYDYIPKYOQDG-UHFFFAOYSA-N -2 3 371.418 3.193 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000067899587 494687947 /nfs/dbraw/zinc/68/79/47/494687947.db2.gz YJSSXSGCBOWRLO-UHFFFAOYSA-N -2 3 365.476 3.400 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(C)c1C(=O)[O-] ZINC000156301358 496210603 /nfs/dbraw/zinc/21/06/03/496210603.db2.gz SSUKHQCMVCOFKI-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCCC1 ZINC000569357912 505916216 /nfs/dbraw/zinc/91/62/16/505916216.db2.gz TWTWTZMLNFVRBK-UHFFFAOYSA-N -2 3 359.856 3.230 20 0 FGADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)CCOCC2CCCC2)cc1 ZINC000572465671 505975152 /nfs/dbraw/zinc/97/51/52/505975152.db2.gz NVEBJHNLRWOOQH-UHFFFAOYSA-N -2 3 369.483 3.042 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc(Cl)c1Cl ZINC000331164148 498266243 /nfs/dbraw/zinc/26/62/43/498266243.db2.gz XTGLWWJXWYWFQK-VIFPVBQESA-N -2 3 368.238 3.002 20 0 FGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1 ZINC000578914719 506050393 /nfs/dbraw/zinc/05/03/93/506050393.db2.gz OOEMFNZLGCDBTO-JTQLQIEISA-N -2 3 369.817 3.098 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000314697444 498778729 /nfs/dbraw/zinc/77/87/29/498778729.db2.gz JEFFGYAFRZNGBD-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000323917592 498824084 /nfs/dbraw/zinc/82/40/84/498824084.db2.gz UEKFVMYAZFTILL-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000391123828 499556526 /nfs/dbraw/zinc/55/65/26/499556526.db2.gz KGLJIPFYTMINHE-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1OC(C)C ZINC000393186851 499559953 /nfs/dbraw/zinc/55/99/53/499559953.db2.gz UVMDJFIZVIIVBG-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc1)C(=O)[O-] ZINC000421143889 499970524 /nfs/dbraw/zinc/97/05/24/499970524.db2.gz AZAFVRPQMSSDQT-RDJZCZTQSA-N -2 3 371.499 3.143 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427350319 500384753 /nfs/dbraw/zinc/38/47/53/500384753.db2.gz RBFNWXMMNSBDBA-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447793313 500662870 /nfs/dbraw/zinc/66/28/70/500662870.db2.gz BGOXJPARPQLPKS-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL COc1cc2c(c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c1)O[C@@H](C)C2 ZINC000443443955 500725446 /nfs/dbraw/zinc/72/54/46/500725446.db2.gz NXPHOGWVDBWYDG-MALLOTDXSA-N -2 3 370.405 3.010 20 0 FGADHL Cc1ccccc1-n1nccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443441836 500725551 /nfs/dbraw/zinc/72/55/51/500725551.db2.gz KWISREYGYCWFKZ-VQHVLOKHSA-N -2 3 364.405 3.172 20 0 FGADHL Cc1nc(C=Cc2cc(Cl)cc3c2OCC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457143 500727157 /nfs/dbraw/zinc/72/71/57/500727157.db2.gz XPEFSFKHFZUQOG-RQOWECAXSA-N -2 3 360.797 3.267 20 0 FGADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1[O-] ZINC000436757083 501205649 /nfs/dbraw/zinc/20/56/49/501205649.db2.gz GJOWBOIFCLJTGM-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000451009715 501238755 /nfs/dbraw/zinc/23/87/55/501238755.db2.gz LAGXJMUHHRVQPU-UHFFFAOYSA-N -2 3 361.419 3.218 20 0 FGADHL COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OCCC(=O)[O-] ZINC000485982199 502010998 /nfs/dbraw/zinc/01/09/98/502010998.db2.gz VCLKPVTZHSDYII-QHHAFSJGSA-N -2 3 356.378 3.092 20 0 FGADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(C)c1OC ZINC000486124001 502054727 /nfs/dbraw/zinc/05/47/27/502054727.db2.gz NTNKLDXJWBRJSM-RMKNXTFCSA-N -2 3 358.394 3.004 20 0 FGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000471902682 502166860 /nfs/dbraw/zinc/16/68/60/502166860.db2.gz ZMYUTBSBSLINLB-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000466272518 502521686 /nfs/dbraw/zinc/52/16/86/502521686.db2.gz MDWBIRVUPBKGOO-UHFFFAOYSA-N -2 3 361.419 3.283 20 0 FGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000485043961 502808965 /nfs/dbraw/zinc/80/89/65/502808965.db2.gz UTWZQHXYWZLSMK-LLVKDONJSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1OC(C)C ZINC000489740105 503022949 /nfs/dbraw/zinc/02/29/49/503022949.db2.gz GNUXSNQIDVQMDY-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)NC3(C(=O)[O-])CCCCC3)cc2)cc(=O)[n-]1 ZINC000514705824 503172440 /nfs/dbraw/zinc/17/24/40/503172440.db2.gz LGFYUXISVZEHHQ-UHFFFAOYSA-N -2 3 370.409 3.067 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1-c1ncco1 ZINC000507978210 503407809 /nfs/dbraw/zinc/40/78/09/503407809.db2.gz GBBBHRBAKVPOCV-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000518491033 504000307 /nfs/dbraw/zinc/00/03/07/504000307.db2.gz PTYZCVQTYJSPLG-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000519554988 504251864 /nfs/dbraw/zinc/25/18/64/504251864.db2.gz IVSJKIUZRVFXCT-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547888170 504258077 /nfs/dbraw/zinc/25/80/77/504258077.db2.gz GKYMGINYMACUTJ-LLVKDONJSA-N -2 3 355.843 3.272 20 0 FGADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000547896204 504259481 /nfs/dbraw/zinc/25/94/81/504259481.db2.gz FREOEUXBQZYSRD-WFASDCNBSA-N -2 3 373.883 3.476 20 0 FGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000547932626 504264712 /nfs/dbraw/zinc/26/47/12/504264712.db2.gz HCTJQNMLBYNFOW-GFCCVEGCSA-N -2 3 371.817 3.016 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000547933405 504265278 /nfs/dbraw/zinc/26/52/78/504265278.db2.gz RHCUNJXJRPGPMD-OAHLLOKOSA-N -2 3 371.817 3.200 20 0 FGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000547938297 504266117 /nfs/dbraw/zinc/26/61/17/504266117.db2.gz PSUABTVXLWMITI-PWSUYJOCSA-N -2 3 367.389 3.263 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000548196326 504366358 /nfs/dbraw/zinc/36/63/58/504366358.db2.gz HBDNTXFCZLBDBT-LLVKDONJSA-N -2 3 363.819 3.035 20 0 FGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(CC(=O)[O-])C1 ZINC000548211349 504369237 /nfs/dbraw/zinc/36/92/37/504369237.db2.gz HVVLPVHLRXNJKH-BMIGLBTASA-N -2 3 363.838 3.039 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000548246850 504374819 /nfs/dbraw/zinc/37/48/19/504374819.db2.gz AHAPCEFDWFRRRQ-SNVBAGLBSA-N -2 3 363.819 3.035 20 0 FGADHL Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc([O-])c2F)s1 ZINC000535767350 504538918 /nfs/dbraw/zinc/53/89/18/504538918.db2.gz MZMKHNKJXFWJFD-UHFFFAOYSA-N -2 3 366.233 3.465 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2)c1 ZINC000545555981 504524524 /nfs/dbraw/zinc/52/45/24/504524524.db2.gz RQWUWTMBPNMKNV-UHFFFAOYSA-N -2 3 351.399 3.046 20 0 FGADHL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000539396829 504556753 /nfs/dbraw/zinc/55/67/53/504556753.db2.gz ANSMNJPGYWKKSE-UHFFFAOYSA-N -2 3 355.387 3.130 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1C ZINC000564060078 505315381 /nfs/dbraw/zinc/31/53/81/505315381.db2.gz RGFTTYBSZCPLJZ-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000552006742 505368314 /nfs/dbraw/zinc/36/83/14/505368314.db2.gz UBYVWIJLULGCLL-LSDHHAIUSA-N -2 3 365.476 3.451 20 0 FGADHL O=S(=O)(CCCOCc1ccccc1)[N-]c1cc([O-])c(F)cc1F ZINC000564667084 505487651 /nfs/dbraw/zinc/48/76/51/505487651.db2.gz JJMWXUGDIXGRDM-UHFFFAOYSA-N -2 3 357.378 3.019 20 0 FGADHL Cc1ccc(-c2cc(=NC(=O)c3cc([O-])ccc3C(F)(F)F)[nH][n-]2)o1 ZINC000559051790 505558598 /nfs/dbraw/zinc/55/85/98/505558598.db2.gz LPNLVWIDGYRVOX-UHFFFAOYSA-N -2 3 351.284 3.377 20 0 FGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1nccs1 ZINC000583562527 506850407 /nfs/dbraw/zinc/85/04/07/506850407.db2.gz XVQLRCMRCFGYTE-CQSZACIVSA-N -2 3 374.871 3.098 20 0 FGADHL C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583691243 506920875 /nfs/dbraw/zinc/92/08/75/506920875.db2.gz GUHLATAHQWCANP-LBPRGKRZSA-N -2 3 351.424 3.013 20 0 FGADHL C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000583934811 507059136 /nfs/dbraw/zinc/05/91/36/507059136.db2.gz XBAXSZWKUVLTSI-KSSFIOAISA-N -2 3 353.418 3.166 20 0 FGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC000592003624 507448667 /nfs/dbraw/zinc/44/86/67/507448667.db2.gz MISSJXYERJUIRE-VIFPVBQESA-N -2 3 367.810 3.162 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000584777407 507499929 /nfs/dbraw/zinc/49/99/29/507499929.db2.gz AYXIOCPDIRNPEH-OAHLLOKOSA-N -2 3 351.424 3.004 20 0 FGADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000322079094 568413824 /nfs/dbraw/zinc/41/38/24/568413824.db2.gz BUXFPVBUYPGJFD-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1oc(C(=O)[O-])cc1COC(=O)c1cccc(Br)c1[O-] ZINC000738965670 600109739 /nfs/dbraw/zinc/10/97/39/600109739.db2.gz HTXCAUVEVIFMDH-UHFFFAOYSA-N -2 3 355.140 3.111 20 0 FGADHL O=C([O-])[C@@H](OC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000740300975 600109941 /nfs/dbraw/zinc/10/99/41/600109941.db2.gz YSECDGIGEYXIRA-ZDUSSCGKSA-N -2 3 351.152 3.137 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1O ZINC000391222547 600176920 /nfs/dbraw/zinc/17/69/20/600176920.db2.gz LSYLQUBVXMHKBQ-CMDGGOBGSA-N -2 3 353.783 3.156 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)o1 ZINC000740172614 600448369 /nfs/dbraw/zinc/44/83/69/600448369.db2.gz BQOIQZIXTJSGTC-UHFFFAOYSA-N -2 3 369.445 3.169 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc(C)c1F ZINC000738477354 601049276 /nfs/dbraw/zinc/04/92/76/601049276.db2.gz XTANEJFMSDTTIA-UHFFFAOYSA-N -2 3 351.399 3.261 20 0 FGADHL COc1cccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1[O-] ZINC000832523578 601077535 /nfs/dbraw/zinc/07/75/35/601077535.db2.gz KFCAAEWBZBHNJP-UHFFFAOYSA-N -2 3 350.396 3.105 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000833027813 601215115 /nfs/dbraw/zinc/21/51/15/601215115.db2.gz XTKSLHXPXVBQNR-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000392194407 601325387 /nfs/dbraw/zinc/32/53/87/601325387.db2.gz QLEFGELZEGXXNO-WDZFZDKYSA-N -2 3 361.419 3.292 20 0 FGADHL O=C([O-])Nc1cccc(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)c1 ZINC000740712106 602264278 /nfs/dbraw/zinc/26/42/78/602264278.db2.gz QKCQVAYECWZUKU-UHFFFAOYSA-N -2 3 374.360 3.362 20 0 FGADHL CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(NC(=O)[O-])c2)c([O-])c1 ZINC000739480273 602865338 /nfs/dbraw/zinc/86/53/38/602865338.db2.gz XEVHXWPCIBUQEY-UHFFFAOYSA-N -2 3 362.313 3.050 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1Cl ZINC000833733657 605184780 /nfs/dbraw/zinc/18/47/80/605184780.db2.gz WZQYJFWWBWXRLH-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1cc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)ccc1NC(=O)[O-] ZINC000829972066 605318275 /nfs/dbraw/zinc/31/82/75/605318275.db2.gz UQRQCHRJTOVGDS-UHFFFAOYSA-N -2 3 373.319 3.401 20 0 FGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1sccc1-c1nnn[n-]1 ZINC000826451783 608864987 /nfs/dbraw/zinc/86/49/87/608864987.db2.gz WJUCRTOFPCMSKI-UHFFFAOYSA-N -2 3 356.194 3.193 20 0 FGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1sccc1-c1nn[n-]n1 ZINC000826451783 608864990 /nfs/dbraw/zinc/86/49/90/608864990.db2.gz WJUCRTOFPCMSKI-UHFFFAOYSA-N -2 3 356.194 3.193 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)c1nc(C)cs1 ZINC000185008850 712681629 /nfs/dbraw/zinc/68/16/29/712681629.db2.gz LICUQRMGNSRSDC-LLVKDONJSA-N -2 3 372.443 3.027 20 0 FGADHL COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(Br)c1[O-] ZINC000254702049 713676352 /nfs/dbraw/zinc/67/63/52/713676352.db2.gz OFIKGOLIUKGDOD-UHFFFAOYSA-N -2 3 365.183 3.308 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc(C(=O)[O-])c1F ZINC000325265853 713817505 /nfs/dbraw/zinc/81/75/05/713817505.db2.gz FYWOVCVPRANADA-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL COC1(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCC1 ZINC000634789236 717115544 /nfs/dbraw/zinc/11/55/44/717115544.db2.gz FGCGZWIGCDKFBJ-UHFFFAOYSA-N -2 3 368.238 3.002 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c2ccccc2)sc1Cl ZINC000650235229 718646059 /nfs/dbraw/zinc/64/60/59/718646059.db2.gz FJXPTDZDCAATGJ-OAHLLOKOSA-N -2 3 373.883 3.031 20 0 FGADHL C[C@](CCF)([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000656724169 719450993 /nfs/dbraw/zinc/45/09/93/719450993.db2.gz KCVGJKVODXOEJR-CYBMUJFWSA-N -2 3 365.835 3.036 20 0 FGADHL Cc1cc(F)c(C(=O)[O-])c([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000663293647 720498183 /nfs/dbraw/zinc/49/81/83/720498183.db2.gz DILAUJDTBYABBY-VIFPVBQESA-N -2 3 351.346 3.009 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@H]2C)oc1C(=O)[O-] ZINC000663424699 720512219 /nfs/dbraw/zinc/51/22/19/720512219.db2.gz RGUABDWELJIIOJ-RFAUZJTJSA-N -2 3 367.398 3.027 20 0 FGADHL COc1cccc(-c2nc(C=Cc3ncc(C(=O)[O-])c(=O)[n-]3)cs2)c1 ZINC000670369776 721532053 /nfs/dbraw/zinc/53/20/53/721532053.db2.gz AXAZAAZSHMZZKN-AATRIKPKSA-N -2 3 355.375 3.183 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000759089639 722999325 /nfs/dbraw/zinc/99/93/25/722999325.db2.gz GNBXTNITBGODNW-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000793323886 723424915 /nfs/dbraw/zinc/42/49/15/723424915.db2.gz XZGNKRDGSBHFDB-SNVBAGLBSA-N -2 3 365.373 3.018 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c1 ZINC000568261927 505654598 /nfs/dbraw/zinc/65/45/98/505654598.db2.gz XHLIDFCGPDXSRT-HNNXBMFYSA-N -2 3 351.449 3.266 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)[O-] ZINC000047949124 493766316 /nfs/dbraw/zinc/76/63/16/493766316.db2.gz AWILVLGBSNAKIQ-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000060554405 493944216 /nfs/dbraw/zinc/94/42/16/493944216.db2.gz MITZYCWTUXRIQK-UHFFFAOYSA-N -2 3 351.811 3.328 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1OCC(=O)[O-] ZINC000063476289 494058532 /nfs/dbraw/zinc/05/85/32/494058532.db2.gz ADAOUTNABREWPE-UHFFFAOYSA-N -2 3 363.435 3.383 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000580182865 505697976 /nfs/dbraw/zinc/69/79/76/505697976.db2.gz IYHWUQOARRLRRV-XHDPSFHLSA-N -2 3 353.415 3.003 20 0 FGADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131536500 494650696 /nfs/dbraw/zinc/65/06/96/494650696.db2.gz NOXQKSNYMZHOEN-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000181205708 496311810 /nfs/dbraw/zinc/31/18/10/496311810.db2.gz KCFOGTOFNSPPDJ-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)c1C ZINC000571954120 505853754 /nfs/dbraw/zinc/85/37/54/505853754.db2.gz ZANXODUIWZLHCQ-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000569194990 505874125 /nfs/dbraw/zinc/87/41/25/505874125.db2.gz JIXNHGGDNAPFPW-GXFFZTMASA-N -2 3 363.838 3.181 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c1 ZINC000578379482 505926670 /nfs/dbraw/zinc/92/66/70/505926670.db2.gz PIDXZHAHRLZZHF-QMMMGPOBSA-N -2 3 363.869 3.127 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)cc1F ZINC000296860547 498226299 /nfs/dbraw/zinc/22/62/99/498226299.db2.gz GMZSZJPZCVDGAH-SECBINFHSA-N -2 3 351.346 3.091 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)C[C@H]3CCCC3(F)F)ccc12 ZINC000296969037 498270128 /nfs/dbraw/zinc/27/01/28/498270128.db2.gz ONMADUMOVZTGKB-SECBINFHSA-N -2 3 358.366 3.043 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000576140921 506086258 /nfs/dbraw/zinc/08/62/58/506086258.db2.gz LYJKHIUBSXQJMX-UHFFFAOYSA-N -2 3 369.267 3.370 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000316156595 498787434 /nfs/dbraw/zinc/78/74/34/498787434.db2.gz KFPREAYSTBDEKA-JTQLQIEISA-N -2 3 368.282 3.409 20 0 FGADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000322203178 498816536 /nfs/dbraw/zinc/81/65/36/498816536.db2.gz RNELNKRQJLHJNN-ZJUUUORDSA-N -2 3 363.863 3.150 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000324596556 498828963 /nfs/dbraw/zinc/82/89/63/498828963.db2.gz GAQLVNSYJCROTN-HNNXBMFYSA-N -2 3 351.399 3.019 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000326697810 498846536 /nfs/dbraw/zinc/84/65/36/498846536.db2.gz UJRTWIQUOGNHJV-UHFFFAOYSA-N -2 3 363.435 3.149 20 0 FGADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000573114549 506121802 /nfs/dbraw/zinc/12/18/02/506121802.db2.gz ITTFOLZFVNUKIV-AWEZNQCLSA-N -2 3 366.464 3.051 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F ZINC000385824629 499548592 /nfs/dbraw/zinc/54/85/92/499548592.db2.gz YLGJDLOBIQHKRK-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000388211247 499550226 /nfs/dbraw/zinc/55/02/26/499550226.db2.gz USAKLERZHBMABC-MFKMUULPSA-N -2 3 366.266 3.305 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)ccc1OC(C)C ZINC000392633747 499559005 /nfs/dbraw/zinc/55/90/05/499559005.db2.gz WHHYAOVFBQKVMW-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)CC(F)(F)F ZINC000402636776 499569807 /nfs/dbraw/zinc/56/98/07/499569807.db2.gz FOZQPBJFAPCFOQ-VIFPVBQESA-N -2 3 371.352 3.089 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc(C(=O)[O-])c1C ZINC000431180248 500346787 /nfs/dbraw/zinc/34/67/87/500346787.db2.gz IUNPIPSYUSNMPG-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3cc(-c4ccccc4F)o[n-]3)[n-]n2)o1 ZINC000448491267 500764791 /nfs/dbraw/zinc/76/47/91/500764791.db2.gz GJVCPPCWQXLYSI-UHFFFAOYSA-N -2 3 352.325 3.446 20 0 FGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000435975616 501053258 /nfs/dbraw/zinc/05/32/58/501053258.db2.gz JWIVFARBVYTHAH-UHFFFAOYSA-N -2 3 363.435 3.319 20 0 FGADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000455812941 501391580 /nfs/dbraw/zinc/39/15/80/501391580.db2.gz QAGAUYDULHNHGS-CQSZACIVSA-N -2 3 357.406 3.297 20 0 FGADHL COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c(Cl)cc1C(=O)[O-] ZINC000485290579 501779325 /nfs/dbraw/zinc/77/93/25/501779325.db2.gz KBUUDWIMKBNGTP-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cs1 ZINC000487420778 502438697 /nfs/dbraw/zinc/43/86/97/502438697.db2.gz NVZGMHUZINQRPL-PSASIEDQSA-N -2 3 371.402 3.093 20 0 FGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1 ZINC000463375882 502775097 /nfs/dbraw/zinc/77/50/97/502775097.db2.gz MZOMMYQXZIPRPA-GFCCVEGCSA-N -2 3 363.435 3.493 20 0 FGADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC000515356650 503323384 /nfs/dbraw/zinc/32/33/84/503323384.db2.gz BWLLPKFTXVTCTL-CQSZACIVSA-N -2 3 355.438 3.205 20 0 FGADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000504508173 503581416 /nfs/dbraw/zinc/58/14/16/503581416.db2.gz RVOMFUCCZUTJQH-UHFFFAOYSA-N -2 3 363.435 3.464 20 0 FGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000504672780 503603509 /nfs/dbraw/zinc/60/35/09/503603509.db2.gz DWXUYBUOOYSRIO-UHFFFAOYSA-N -2 3 357.790 3.162 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1Cl ZINC000536657285 503663721 /nfs/dbraw/zinc/66/37/21/503663721.db2.gz WVXCRMJNQAISDY-UHFFFAOYSA-N -2 3 367.810 3.164 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1Cl ZINC000547542101 504143727 /nfs/dbraw/zinc/14/37/27/504143727.db2.gz HXDSRYBYYARVGV-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL N#CC1(CS(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)CCCCC1 ZINC000547555958 504147847 /nfs/dbraw/zinc/14/78/47/504147847.db2.gz SUFGNAYMLAHYCC-UHFFFAOYSA-N -2 3 361.423 3.082 20 0 FGADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000547563613 504149034 /nfs/dbraw/zinc/14/90/34/504149034.db2.gz VCUMJVJWZFNKNV-AWEZNQCLSA-N -2 3 368.480 3.069 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547575864 504151160 /nfs/dbraw/zinc/15/11/60/504151160.db2.gz JGANFDRTBIQMLC-SECBINFHSA-N -2 3 371.352 3.156 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1F ZINC000547586246 504151877 /nfs/dbraw/zinc/15/18/77/504151877.db2.gz TXZJBZRIRSPAPJ-CQSZACIVSA-N -2 3 363.366 3.066 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000547617739 504156433 /nfs/dbraw/zinc/15/64/33/504156433.db2.gz XJCFICZXGPCFIZ-UHFFFAOYSA-N -2 3 371.430 3.440 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000547936840 504265651 /nfs/dbraw/zinc/26/56/51/504265651.db2.gz NXIQUAVATMZDMV-BDJLRTHQSA-N -2 3 369.389 3.014 20 0 FGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000547938298 504266397 /nfs/dbraw/zinc/26/63/97/504266397.db2.gz PSUABTVXLWMITI-ZYHUDNBSSA-N -2 3 367.389 3.263 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1C ZINC000538755995 504359786 /nfs/dbraw/zinc/35/97/86/504359786.db2.gz AOFBXTINNAWTRE-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(C)c1C ZINC000548203515 504368460 /nfs/dbraw/zinc/36/84/60/504368460.db2.gz MZSCKYTXLBKKLV-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])c1Cl ZINC000548213438 504370547 /nfs/dbraw/zinc/37/05/47/504370547.db2.gz WMCLIEQLLNJLMN-QMTHXVAHSA-N -2 3 366.266 3.224 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548262417 504378079 /nfs/dbraw/zinc/37/80/79/504378079.db2.gz QYHXBTSATDITJV-NSHDSACASA-N -2 3 371.352 3.012 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)c1C ZINC000548592061 504487516 /nfs/dbraw/zinc/48/75/16/504487516.db2.gz FZDJDKPUMGROPW-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000539397766 504556835 /nfs/dbraw/zinc/55/68/35/504556835.db2.gz XBGLNLAVONIYHO-UHFFFAOYSA-N -2 3 361.341 3.306 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc(OC(F)(F)F)c1F ZINC000562371690 504798439 /nfs/dbraw/zinc/79/84/39/504798439.db2.gz KABCBROKASZMPC-UHFFFAOYSA-N -2 3 369.267 3.370 20 0 FGADHL CC[C@H](C(=O)[O-])N(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CC1 ZINC000557630924 505187606 /nfs/dbraw/zinc/18/76/06/505187606.db2.gz LTFJQHIORLWSBK-MRXNPFEDSA-N -2 3 370.409 3.017 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)c1 ZINC000563765254 505232027 /nfs/dbraw/zinc/23/20/27/505232027.db2.gz CEJFLWDEMQSFHW-UHFFFAOYSA-N -2 3 351.424 3.135 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1C ZINC000554686813 505240682 /nfs/dbraw/zinc/24/06/82/505240682.db2.gz ZVLZVJUDURZNDD-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000561701531 505412902 /nfs/dbraw/zinc/41/29/02/505412902.db2.gz MLFWCGLWWHDBFD-UHFFFAOYSA-N -2 3 370.386 3.373 20 0 FGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000555694680 505492628 /nfs/dbraw/zinc/49/26/28/505492628.db2.gz ALBQYEQWLZXSIS-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1OC(C)C ZINC000564692532 505493371 /nfs/dbraw/zinc/49/33/71/505493371.db2.gz AWSNVZUYDHNVIH-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000567797071 505563780 /nfs/dbraw/zinc/56/37/80/505563780.db2.gz MBWWYJHXXBLCOL-JSGCOSHPSA-N -2 3 367.398 3.040 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000584216460 507219531 /nfs/dbraw/zinc/21/95/31/507219531.db2.gz QLEJJYRAQNPZEZ-ZWNOBZJWSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1cccc(N=c2[n-]nc(Sc3nc4c(cnn4C)c(=O)[n-]3)s2)c1 ZINC000536525377 516804516 /nfs/dbraw/zinc/80/45/16/516804516.db2.gz GTQLAAMUXRUTQN-UHFFFAOYSA-N -2 3 371.451 3.124 20 0 FGADHL Cn1[n-]cc2c(=O)c(C(=O)N=c3cc(-c4ccc(Cl)s4)[n-][nH]3)cnc1-2 ZINC000512002207 561888619 /nfs/dbraw/zinc/88/86/19/561888619.db2.gz QRZPALPWFBBMSZ-UHFFFAOYSA-N -2 3 374.813 3.031 20 0 FGADHL Cn1ncc2c1[n-]cc(C(=O)N=c1cc(-c3ccc(Cl)s3)[n-][nH]1)c2=O ZINC000512002207 561888620 /nfs/dbraw/zinc/88/86/20/561888620.db2.gz QRZPALPWFBBMSZ-UHFFFAOYSA-N -2 3 374.813 3.031 20 0 FGADHL Cn1ncc2c1ncc(C(=O)N=c1cc(-c3ccc(Cl)s3)[n-][nH]1)c2[O-] ZINC000512002207 561888621 /nfs/dbraw/zinc/88/86/21/561888621.db2.gz QRZPALPWFBBMSZ-UHFFFAOYSA-N -2 3 374.813 3.031 20 0 FGADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000740123303 600058079 /nfs/dbraw/zinc/05/80/79/600058079.db2.gz KZQFJMIMDFXUKM-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=C([O-])c1ccc2c(c1)CN(Cc1nc3c4ccccc4oc3c(=O)[n-]1)C2 ZINC000740202866 600088747 /nfs/dbraw/zinc/08/87/47/600088747.db2.gz ODOFDURCWUZOQM-UHFFFAOYSA-N -2 3 361.357 3.296 20 0 FGADHL O=C([O-])c1ccc(COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000740134327 600110013 /nfs/dbraw/zinc/11/00/13/600110013.db2.gz TYROJANJVIBOCN-UHFFFAOYSA-N -2 3 351.152 3.210 20 0 FGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000740243345 600237038 /nfs/dbraw/zinc/23/70/38/600237038.db2.gz ZQHZCHYCWIBNMO-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1c2cccc(F)c2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738275811 600538035 /nfs/dbraw/zinc/53/80/35/600538035.db2.gz CNQWQPGMVCDMER-UHFFFAOYSA-N -2 3 363.370 3.391 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000833028741 601218744 /nfs/dbraw/zinc/21/87/44/601218744.db2.gz QAUZQQCSINAJGC-SSDOTTSWSA-N -2 3 361.778 3.118 20 0 FGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000833347853 601335945 /nfs/dbraw/zinc/33/59/45/601335945.db2.gz GERYDMBYQXYSDC-UHFFFAOYSA-N -2 3 353.755 3.179 20 0 FGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000403271190 601962069 /nfs/dbraw/zinc/96/20/69/601962069.db2.gz UWOAXSYTANUPAF-UHFFFAOYSA-N -2 3 351.827 3.183 20 0 FGADHL Cc1sc2[n-]c([C@@H](C)OC(=O)CC(C)(C)NC(=O)[O-])nc(=O)c2c1C ZINC000740276658 603135433 /nfs/dbraw/zinc/13/54/33/603135433.db2.gz ULHNUYLQZOPDHX-MRVPVSSYSA-N -2 3 367.427 3.054 20 0 FGADHL O=C([O-])NC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000740584370 603195391 /nfs/dbraw/zinc/19/53/91/603195391.db2.gz AHFRHXZJIPDGHK-UHFFFAOYSA-N -2 3 356.378 3.057 20 0 FGADHL Cc1cc(=O)[n-]c(CSCc2coc(-c3ccc(C(=O)[O-])cc3)n2)n1 ZINC000833746580 605159459 /nfs/dbraw/zinc/15/94/59/605159459.db2.gz CVNIYRRUDORCMJ-UHFFFAOYSA-N -2 3 357.391 3.277 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(F)(F)F ZINC000829665965 605298540 /nfs/dbraw/zinc/29/85/40/605298540.db2.gz ZNHTWFJNQFEFTC-LLVKDONJSA-N -2 3 371.352 3.169 20 0 FGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450289 608205253 /nfs/dbraw/zinc/20/52/53/608205253.db2.gz FIBJUCABXCGYHB-UHFFFAOYSA-N -2 3 373.587 3.113 20 0 FGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450289 608205255 /nfs/dbraw/zinc/20/52/55/608205255.db2.gz FIBJUCABXCGYHB-UHFFFAOYSA-N -2 3 373.587 3.113 20 0 FGADHL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000237611034 713594567 /nfs/dbraw/zinc/59/45/67/713594567.db2.gz VUPYWNOMPJDNMW-CQSZACIVSA-N -2 3 351.761 3.439 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1C ZINC000579755320 714496717 /nfs/dbraw/zinc/49/67/17/714496717.db2.gz CATGSXMGDNUNMV-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(C)C)c2cccs2)oc1C(=O)[O-] ZINC000663423047 720511926 /nfs/dbraw/zinc/51/19/26/720511926.db2.gz OQKXRNWKAPLKKA-LLVKDONJSA-N -2 3 357.453 3.413 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)oc1C(=O)[O-] ZINC000663423339 720512207 /nfs/dbraw/zinc/51/22/07/720512207.db2.gz SSJLQMKXWLFQLZ-HNNXBMFYSA-N -2 3 367.398 3.245 20 0 FGADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC(F)F ZINC000670370092 721532019 /nfs/dbraw/zinc/53/20/19/721532019.db2.gz WJUSJOCPCTXFKT-XQRVVYSFSA-N -2 3 352.293 3.051 20 0 FGADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C(=O)[O-])c1 ZINC000680524560 722128506 /nfs/dbraw/zinc/12/85/06/722128506.db2.gz HSQOQSOPRWOMBR-UHFFFAOYSA-N -2 3 372.805 3.044 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000767732995 723631735 /nfs/dbraw/zinc/63/17/35/723631735.db2.gz MLVHOWJNYHKBMA-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])C12CCC(C(=O)[N-]OCc3ccc(C(F)(F)F)cc3)(CC1)C2 ZINC000911804837 757217353 /nfs/dbraw/zinc/21/73/53/757217353.db2.gz GRSGPHMYAIXADS-UHFFFAOYSA-N -2 3 357.328 3.288 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1Cl ZINC000579662958 505596984 /nfs/dbraw/zinc/59/69/84/505596984.db2.gz GREQKEQJSHQEHJ-JTQLQIEISA-N -2 3 354.255 3.079 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000058518500 493861961 /nfs/dbraw/zinc/86/19/61/493861961.db2.gz IUHQSMKVPFYTML-UHFFFAOYSA-N -2 3 369.826 3.410 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000058518791 493862693 /nfs/dbraw/zinc/86/26/93/493862693.db2.gz AUTKTXGYEMZRDX-UHFFFAOYSA-N -2 3 371.361 3.349 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000058519036 493863026 /nfs/dbraw/zinc/86/30/26/493863026.db2.gz IGWVUHRBBJDMAE-UHFFFAOYSA-N -2 3 371.361 3.404 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)c1 ZINC000047328426 494682992 /nfs/dbraw/zinc/68/29/92/494682992.db2.gz VMWVZOQRGPASQJ-UHFFFAOYSA-N -2 3 369.446 3.163 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000152968164 496310889 /nfs/dbraw/zinc/31/08/89/496310889.db2.gz HEBMHBPUSIMFDL-UHFFFAOYSA-N -2 3 359.325 3.165 20 0 FGADHL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000569068727 505843903 /nfs/dbraw/zinc/84/39/03/505843903.db2.gz ZUFXZWVKZAZHTM-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185007408 496620168 /nfs/dbraw/zinc/62/01/68/496620168.db2.gz PQIRYXVXJOJDOO-GFCCVEGCSA-N -2 3 372.443 3.027 20 0 FGADHL COC(=O)c1cccc2nc(NC(=O)c3cc(F)c([O-])c(Cl)c3)[n-]c21 ZINC000194933290 496766070 /nfs/dbraw/zinc/76/60/70/496766070.db2.gz LGVMPJSTLAAHNJ-UHFFFAOYSA-N -2 3 363.732 3.100 20 0 FGADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c([O-])c(Cl)c3)nc21 ZINC000194933290 496766073 /nfs/dbraw/zinc/76/60/73/496766073.db2.gz LGVMPJSTLAAHNJ-UHFFFAOYSA-N -2 3 363.732 3.100 20 0 FGADHL Cc1nc(C=Cc2ccc(F)cc2C(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503430 496943376 /nfs/dbraw/zinc/94/33/76/496943376.db2.gz HVXBCXMIMWBDNX-ZZXKWVIFSA-N -2 3 370.302 3.424 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])sc1Cl ZINC000231807338 497110728 /nfs/dbraw/zinc/11/07/28/497110728.db2.gz REDGAVYQNKWIQX-WPRPVWTQSA-N -2 3 353.893 3.268 20 0 FGADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000193677754 497444400 /nfs/dbraw/zinc/44/44/00/497444400.db2.gz QISCGNFSVVUBQX-UHFFFAOYSA-N -2 3 366.768 3.427 20 0 FGADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263162473 497721885 /nfs/dbraw/zinc/72/18/85/497721885.db2.gz ILBTUHVCMBPZPC-YOEHRIQHSA-N -2 3 353.418 3.308 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000581175652 505927030 /nfs/dbraw/zinc/92/70/30/505927030.db2.gz GSLRZISPHDKXCJ-VIFPVBQESA-N -2 3 373.780 3.281 20 0 FGADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000263341533 497762347 /nfs/dbraw/zinc/76/23/47/497762347.db2.gz NNYZGJWLWFEPDQ-HOCLYGCPSA-N -2 3 369.417 3.154 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc(Cl)c1Cl ZINC000331164147 498266199 /nfs/dbraw/zinc/26/61/99/498266199.db2.gz XTGLWWJXWYWFQK-SECBINFHSA-N -2 3 368.238 3.002 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000579030667 506077981 /nfs/dbraw/zinc/07/79/81/506077981.db2.gz DFLWENRELNFSSZ-CQSZACIVSA-N -2 3 373.352 3.275 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317173540 498791087 /nfs/dbraw/zinc/79/10/87/498791087.db2.gz ULLCPNMMEBQFHO-GXTWGEPZSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000318083848 498795279 /nfs/dbraw/zinc/79/52/79/498795279.db2.gz LPEVGWFJQLLVNM-SMDDNHRTSA-N -2 3 366.266 3.305 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000318597741 498798702 /nfs/dbraw/zinc/79/87/02/498798702.db2.gz QZAMIBUSLLFHAY-UHFFFAOYSA-N -2 3 361.828 3.218 20 0 FGADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000320282890 498806250 /nfs/dbraw/zinc/80/62/50/498806250.db2.gz HHNZVOIGPURAQE-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000320418433 498807552 /nfs/dbraw/zinc/80/75/52/498807552.db2.gz JDLHGXGRXSMTQP-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1C(=O)[O-] ZINC000326683118 498846033 /nfs/dbraw/zinc/84/60/33/498846033.db2.gz OOFCMEFTSJNCBM-UHFFFAOYSA-N -2 3 357.334 3.095 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000573184676 506138174 /nfs/dbraw/zinc/13/81/74/506138174.db2.gz LVQCAJNDYUNUTL-SECBINFHSA-N -2 3 354.255 3.305 20 0 FGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccsc32)ccc1[O-] ZINC000386384813 499549202 /nfs/dbraw/zinc/54/92/02/499549202.db2.gz FAIIHCLZVMPFFI-UHFFFAOYSA-N -2 3 363.416 3.194 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000391305094 499556893 /nfs/dbraw/zinc/55/68/93/499556893.db2.gz UVXGXVDESPICOY-GFCCVEGCSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)ccc1[O-] ZINC000428883017 499953611 /nfs/dbraw/zinc/95/36/11/499953611.db2.gz BHPLRVPPBRBSRP-UHFFFAOYSA-N -2 3 359.838 3.471 20 0 FGADHL O=c1[n-]c(-c2ccccc2I)nc2ccc([O-])cc12 ZINC000436930605 500573296 /nfs/dbraw/zinc/57/32/96/500573296.db2.gz YNOZXMDHYXXKFZ-UHFFFAOYSA-N -2 3 364.142 3.313 20 0 FGADHL O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000443559281 500737819 /nfs/dbraw/zinc/73/78/19/500737819.db2.gz MOTHPMNJWFYAIL-UHFFFAOYSA-N -2 3 364.279 3.385 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000445554432 501001296 /nfs/dbraw/zinc/00/12/96/501001296.db2.gz QQXCSKWLNZDLKS-HIFRSBDPSA-N -2 3 365.476 3.136 20 0 FGADHL CC(C)c1csc2[n-]c(CC(=O)Nc3ccccc3C(=O)[O-])nc(=O)c12 ZINC000485164430 501743590 /nfs/dbraw/zinc/74/35/90/501743590.db2.gz CLZJKEMNVHHFHC-UHFFFAOYSA-N -2 3 371.418 3.400 20 0 FGADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000477667718 501754661 /nfs/dbraw/zinc/75/46/61/501754661.db2.gz OHUJQCVCBNLMLT-UHFFFAOYSA-N -2 3 365.267 3.007 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1C(=O)[O-] ZINC000479557896 502297044 /nfs/dbraw/zinc/29/70/44/502297044.db2.gz YSEIZXHBMWBQFO-UHFFFAOYSA-N -2 3 361.375 3.249 20 0 FGADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000476246536 502428346 /nfs/dbraw/zinc/42/83/46/502428346.db2.gz JADVKZVGNVEDEP-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Br ZINC000476283410 502443568 /nfs/dbraw/zinc/44/35/68/502443568.db2.gz MWKRLWOYZFRAKZ-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)o1 ZINC000466292853 502528726 /nfs/dbraw/zinc/52/87/26/502528726.db2.gz GZRSHTFKXHSXCQ-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000466350974 502545755 /nfs/dbraw/zinc/54/57/55/502545755.db2.gz YZBWRDILHKGEOK-UHFFFAOYSA-N -2 3 363.435 3.419 20 0 FGADHL Cc1nc(C=Cc2csc(-c3cccs3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000470263842 502719629 /nfs/dbraw/zinc/71/96/29/502719629.db2.gz OOUXEARQINXDFL-SNAWJCMRSA-N -2 3 359.432 3.473 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000477393514 502763230 /nfs/dbraw/zinc/76/32/30/502763230.db2.gz BKJAAVPTLBTPND-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C)c1OCC(=O)[O-] ZINC000485022952 502804303 /nfs/dbraw/zinc/80/43/03/502804303.db2.gz HRSZPUMJSQQULR-UHFFFAOYSA-N -2 3 367.398 3.015 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000504255154 503543969 /nfs/dbraw/zinc/54/39/69/503543969.db2.gz YXRNCRWCLQSWEU-UHFFFAOYSA-N -2 3 365.304 3.273 20 0 FGADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500304649 503599856 /nfs/dbraw/zinc/59/98/56/503599856.db2.gz OFEWWFCSXPTSBY-UHFFFAOYSA-N -2 3 369.826 3.167 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504702206 503606581 /nfs/dbraw/zinc/60/65/81/503606581.db2.gz DUKVIUMUZCGUPU-GFCCVEGCSA-N -2 3 351.449 3.361 20 0 FGADHL Cc1nc(C=Cc2sccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504712550 503607526 /nfs/dbraw/zinc/60/75/26/503607526.db2.gz QNZGIKWINNVCNC-NSCUHMNNSA-N -2 3 355.213 3.112 20 0 FGADHL Cc1nc(C=Cc2csc(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712940 503607647 /nfs/dbraw/zinc/60/76/47/503607647.db2.gz SWDABTDPDNAALP-IHWYPQMZSA-N -2 3 355.213 3.112 20 0 FGADHL O=C(Nc1ccc(Br)cc1[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000517582795 503777562 /nfs/dbraw/zinc/77/75/62/503777562.db2.gz NTACUSCHEGOCSX-UHFFFAOYSA-N -2 3 359.179 3.249 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1 ZINC000540507535 503798285 /nfs/dbraw/zinc/79/82/85/503798285.db2.gz CQYBJPPDFBGFPM-UHFFFAOYSA-N -2 3 372.240 3.273 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1 ZINC000530145137 503853027 /nfs/dbraw/zinc/85/30/27/503853027.db2.gz PTHBAWWJOCZIBS-UHFFFAOYSA-N -2 3 361.419 3.080 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c(C)c1F ZINC000543952031 503948783 /nfs/dbraw/zinc/94/87/83/503948783.db2.gz XVRFPCZAASQNIS-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Br ZINC000534317606 504108750 /nfs/dbraw/zinc/10/87/50/504108750.db2.gz CUGQASWJHZPPDJ-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000547545297 504144872 /nfs/dbraw/zinc/14/48/72/504144872.db2.gz AZHJTVBOHZFGPT-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)(CC(=O)[O-])C1 ZINC000547571161 504150254 /nfs/dbraw/zinc/15/02/54/504150254.db2.gz RFOPZRBFKVHAAR-MEBBXXQBSA-N -2 3 363.838 3.039 20 0 FGADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC000547870644 504254600 /nfs/dbraw/zinc/25/46/00/504254600.db2.gz HDJOMZSUTYHTDK-UHFFFAOYSA-N -2 3 374.418 3.177 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c[nH]1 ZINC000541807512 504260636 /nfs/dbraw/zinc/26/06/36/504260636.db2.gz KLLXWWZXHUSCOG-UHFFFAOYSA-N -2 3 350.730 3.105 20 0 FGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000547936267 504265906 /nfs/dbraw/zinc/26/59/06/504265906.db2.gz XZOLJDFHFHXLOJ-GFCCVEGCSA-N -2 3 371.817 3.016 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccs1)c1c(Cl)cccc1Cl ZINC000548242214 504373721 /nfs/dbraw/zinc/37/37/21/504373721.db2.gz KTNMMTLRJYJMEV-LLVKDONJSA-N -2 3 366.247 3.159 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccs1)c1c(Cl)cccc1Cl ZINC000548242217 504373881 /nfs/dbraw/zinc/37/38/81/504373881.db2.gz KTNMMTLRJYJMEV-NSHDSACASA-N -2 3 366.247 3.159 20 0 FGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000548264642 504377481 /nfs/dbraw/zinc/37/74/81/504377481.db2.gz OZACWPSJZTVEAB-JOYOIKCWSA-N -2 3 351.827 3.037 20 0 FGADHL CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000521340012 504713141 /nfs/dbraw/zinc/71/31/41/504713141.db2.gz MWCYSJYVBNYTET-UHFFFAOYSA-N -2 3 367.448 3.063 20 0 FGADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000536496494 504748592 /nfs/dbraw/zinc/74/85/92/504748592.db2.gz HPDUKLHSKMOFQM-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C ZINC000558053254 505297398 /nfs/dbraw/zinc/29/73/98/505297398.db2.gz CKOJOWBHPSIULY-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccsc1)c1c(Cl)cccc1Cl ZINC000551998746 505366603 /nfs/dbraw/zinc/36/66/03/505366603.db2.gz UJOMFVZDNJELHR-NSHDSACASA-N -2 3 366.247 3.159 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000567252008 505408391 /nfs/dbraw/zinc/40/83/91/505408391.db2.gz UNQBDARTTOVLSV-XLKFXECMSA-N -2 3 371.842 3.172 20 0 FGADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000564491927 505432436 /nfs/dbraw/zinc/43/24/36/505432436.db2.gz JWVKZOZKYCLLAM-ARJAWSKDSA-N -2 3 361.419 3.292 20 0 FGADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000564711532 505499927 /nfs/dbraw/zinc/49/99/27/505499927.db2.gz RVGUFOAECAAEDC-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc([O-])ccc1C(F)(F)F ZINC000552602827 505520945 /nfs/dbraw/zinc/52/09/45/505520945.db2.gz USEWKQQIZALYRT-UHFFFAOYSA-N -2 3 364.283 3.154 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000562273718 505558959 /nfs/dbraw/zinc/55/89/59/505558959.db2.gz PEFDVGTXSMSLNF-MRVPVSSYSA-N -2 3 359.391 3.079 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000583549476 506842000 /nfs/dbraw/zinc/84/20/00/506842000.db2.gz UCEIMSJUXLBLIG-LLVKDONJSA-N -2 3 353.415 3.147 20 0 FGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cccc2Cl)o1 ZINC000637101808 568388923 /nfs/dbraw/zinc/38/89/23/568388923.db2.gz ISHLWOQAUOVNOF-UHFFFAOYSA-N -2 3 374.821 3.401 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Oc2ccccc2)o1 ZINC000740177995 599776236 /nfs/dbraw/zinc/77/62/36/599776236.db2.gz YWXDNXWHSQEXEF-UHFFFAOYSA-N -2 3 373.386 3.249 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000737868839 599853414 /nfs/dbraw/zinc/85/34/14/599853414.db2.gz SVOCIMCWWSEBBY-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL O=C([O-])c1cc(F)ccc1COC(=O)c1cccc(Br)c1[O-] ZINC000740078934 600110223 /nfs/dbraw/zinc/11/02/23/600110223.db2.gz YVWHDLFORIASNA-UHFFFAOYSA-N -2 3 369.142 3.349 20 0 FGADHL O=C([O-])[C@H](OC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000740300973 600110365 /nfs/dbraw/zinc/11/03/65/600110365.db2.gz YSECDGIGEYXIRA-CYBMUJFWSA-N -2 3 351.152 3.137 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738402216 600301115 /nfs/dbraw/zinc/30/11/15/600301115.db2.gz MFGUQOHAWNOZCK-UHFFFAOYSA-N -2 3 352.387 3.045 20 0 FGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000326654056 600544616 /nfs/dbraw/zinc/54/46/16/600544616.db2.gz BPRILTOVZDZGMM-UHFFFAOYSA-N -2 3 363.435 3.319 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833026497 601220721 /nfs/dbraw/zinc/22/07/21/601220721.db2.gz GHVUGXOGWSLOJQ-UHFFFAOYSA-N -2 3 361.375 3.025 20 0 FGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000829687235 601359962 /nfs/dbraw/zinc/35/99/62/601359962.db2.gz IWMVQOKEKWSVQC-AUWJEWJLSA-N -2 3 374.462 3.431 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc(F)c1F ZINC000751141414 601832192 /nfs/dbraw/zinc/83/21/92/601832192.db2.gz GHJZWFDNYFSORS-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C([O-])N1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000738645360 602025988 /nfs/dbraw/zinc/02/59/88/602025988.db2.gz XAVGMRGQUBSMKH-UHFFFAOYSA-N -2 3 368.433 3.003 20 0 FGADHL CN(C[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C(=O)[O-] ZINC000828253186 604221336 /nfs/dbraw/zinc/22/13/36/604221336.db2.gz IWLQQNWJKCUNPO-AWEZNQCLSA-N -2 3 370.405 3.256 20 0 FGADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3cnccc3C(=O)[O-])nc(=O)c2c1C ZINC000833036579 604879606 /nfs/dbraw/zinc/87/96/06/604879606.db2.gz JHHRWZQCUWIVMN-MRVPVSSYSA-N -2 3 373.390 3.025 20 0 FGADHL O=C([O-])C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000833772613 605307807 /nfs/dbraw/zinc/30/78/07/605307807.db2.gz FKTUWHCNRMHAKM-CYBMUJFWSA-N -2 3 369.295 3.062 20 0 FGADHL O=C(c1cccc(Cl)c1[O-])N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826473709 608582251 /nfs/dbraw/zinc/58/22/51/608582251.db2.gz KBAQVRKTQNPJIN-UHFFFAOYSA-N -2 3 369.812 3.031 20 0 FGADHL O=C(c1cccc(Cl)c1[O-])N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826473709 608582252 /nfs/dbraw/zinc/58/22/52/608582252.db2.gz KBAQVRKTQNPJIN-UHFFFAOYSA-N -2 3 369.812 3.031 20 0 FGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC000013028078 695608592 /nfs/dbraw/zinc/60/85/92/695608592.db2.gz DQGFZHPHHBQZTM-UHFFFAOYSA-N -2 3 361.206 3.075 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094703117 700458501 /nfs/dbraw/zinc/45/85/01/700458501.db2.gz FLEIWMYDMHDPHV-SECBINFHSA-N -2 3 354.255 3.019 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000156255853 705108444 /nfs/dbraw/zinc/10/84/44/705108444.db2.gz YMFUVXZAEYNVME-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1C ZINC000182495886 705846395 /nfs/dbraw/zinc/84/63/95/705846395.db2.gz WMLYIFXCRPUYRH-UHFFFAOYSA-N -2 3 354.815 3.113 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(Cl)cc1F ZINC000323841693 713815155 /nfs/dbraw/zinc/81/51/55/713815155.db2.gz SSINETIPUATBQY-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000327535872 713823168 /nfs/dbraw/zinc/82/31/68/713823168.db2.gz UKKMVBYZMLXGDM-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL O=S(=O)(CCc1ccccc1)[N-]c1ccc(Br)cc1[O-] ZINC000524712723 714297154 /nfs/dbraw/zinc/29/71/54/714297154.db2.gz JAYTYEVWVFKZPC-UHFFFAOYSA-N -2 3 356.241 3.139 20 0 FGADHL O=C(N=c1nc(C2CCOCC2)[n-]s1)c1cc2cc(Cl)sc2[n-]1 ZINC000629104206 716215562 /nfs/dbraw/zinc/21/55/62/716215562.db2.gz TWCFAGDMFOGRMD-UHFFFAOYSA-N -2 3 368.871 3.303 20 0 FGADHL CCCCn1nc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1Cl ZINC000794713887 723542448 /nfs/dbraw/zinc/54/24/48/723542448.db2.gz PCEFMOLNWWQUPA-VOTSOKGWSA-N -2 3 364.833 3.247 20 0 FGADHL Cc1nc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(-c2ccccc2)s1 ZINC000663290447 720498104 /nfs/dbraw/zinc/49/81/04/720498104.db2.gz YMQWZINQGPOWIS-UHFFFAOYSA-N -2 3 368.480 3.042 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)oc1C(=O)[O-] ZINC000663421892 720511918 /nfs/dbraw/zinc/51/19/18/720511918.db2.gz CXDGLPIXBFGYEB-UHFFFAOYSA-N -2 3 369.826 3.297 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1cccc(C)c1C ZINC000576751486 505585363 /nfs/dbraw/zinc/58/53/63/505585363.db2.gz WXNXYEHBEXBSLX-NSHDSACASA-N -2 3 369.464 3.111 20 0 FGADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1OC ZINC000574007256 505672005 /nfs/dbraw/zinc/67/20/05/505672005.db2.gz ZYVXEONWTOWLBD-UHFFFAOYSA-N -2 3 361.778 3.003 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000032596931 493998967 /nfs/dbraw/zinc/99/89/67/493998967.db2.gz MTNCOOOUKHBPMA-UHFFFAOYSA-N -2 3 367.398 3.360 20 0 FGADHL Cn1ccnc1-c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)n[n-]1 ZINC000119366636 495152265 /nfs/dbraw/zinc/15/22/65/495152265.db2.gz BIFRVHWTKBEJFV-UHFFFAOYSA-N -2 3 352.181 3.075 20 0 FGADHL Cn1ccnc1-c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)[n-]n1 ZINC000119366636 495152269 /nfs/dbraw/zinc/15/22/69/495152269.db2.gz BIFRVHWTKBEJFV-UHFFFAOYSA-N -2 3 352.181 3.075 20 0 FGADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184444966 496386924 /nfs/dbraw/zinc/38/69/24/496386924.db2.gz DLYADKOMACROAV-UHFFFAOYSA-N -2 3 372.805 3.117 20 0 FGADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1[O-] ZINC000572090612 505886460 /nfs/dbraw/zinc/88/64/60/505886460.db2.gz ZJFHKKNQCPGITA-UHFFFAOYSA-N -2 3 367.854 3.273 20 0 FGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])s2)cs1 ZINC000275042669 497226054 /nfs/dbraw/zinc/22/60/54/497226054.db2.gz VSVVLWKOXYWONR-SECBINFHSA-N -2 3 374.509 3.102 20 0 FGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])s2)cs1 ZINC000275042670 497226317 /nfs/dbraw/zinc/22/63/17/497226317.db2.gz VSVVLWKOXYWONR-VIFPVBQESA-N -2 3 374.509 3.102 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NCC3(C(=O)[O-])CCCCC3)nc2)n1 ZINC000575050065 505910658 /nfs/dbraw/zinc/91/06/58/505910658.db2.gz YTUYLBVNWGZDFR-UHFFFAOYSA-N -2 3 356.426 3.254 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C(=O)[O-] ZINC000314765169 498779442 /nfs/dbraw/zinc/77/94/42/498779442.db2.gz RLURLHXDXPUZMU-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000321769547 498814158 /nfs/dbraw/zinc/81/41/58/498814158.db2.gz OADUAYZFIHOOQK-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1F ZINC000326718709 498846745 /nfs/dbraw/zinc/84/67/45/498846745.db2.gz YNWBHNZVOXDKCY-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CC(C)CN=c1[n-]nc(SCc2noc(-c3ccccc3[O-])n2)s1 ZINC000371457614 499329010 /nfs/dbraw/zinc/32/90/10/499329010.db2.gz VEHGDMOAJNXWSF-UHFFFAOYSA-N -2 3 363.468 3.076 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(C)c1 ZINC000392964725 499559623 /nfs/dbraw/zinc/55/96/23/499559623.db2.gz JZCKZVYRDKINBF-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000393047807 499559756 /nfs/dbraw/zinc/55/97/56/499559756.db2.gz HUNVNRQHAVXHDZ-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000421162144 499977764 /nfs/dbraw/zinc/97/77/64/499977764.db2.gz YTFRDTYFZWYDNR-CZUORRHYSA-N -2 3 357.472 3.068 20 0 FGADHL CCOC(=O)c1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c([O-])c1 ZINC000443067979 500673558 /nfs/dbraw/zinc/67/35/58/500673558.db2.gz HQZKXVDLOLOEJH-UHFFFAOYSA-N -2 3 365.769 3.189 20 0 FGADHL Cc1nc(C=Cc2nc(-c3ccccc3)c[nH]2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443445037 500726065 /nfs/dbraw/zinc/72/60/65/500726065.db2.gz IKJFNPIPUPJUSB-HJWRWDBZSA-N -2 3 350.378 3.068 20 0 FGADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3ccc([O-])c(F)c3)n2)cc1 ZINC000439502783 500907893 /nfs/dbraw/zinc/90/78/93/500907893.db2.gz QENUQSLSSHDIQJ-UHFFFAOYSA-N -2 3 369.396 3.476 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000445554434 501000861 /nfs/dbraw/zinc/00/08/61/501000861.db2.gz QQXCSKWLNZDLKS-ZFWWWQNUSA-N -2 3 365.476 3.136 20 0 FGADHL CCc1[n-][nH]c(=NC(=O)c2cccc(C)c2[O-])c1-c1ccc2c(c1)OCO2 ZINC000440467744 501010597 /nfs/dbraw/zinc/01/05/97/501010597.db2.gz WMTMIVRVVYSIMJ-UHFFFAOYSA-N -2 3 365.389 3.056 20 0 FGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2SC)ccc1[O-] ZINC000436869130 501224490 /nfs/dbraw/zinc/22/44/90/501224490.db2.gz JCLVDWNZVVSFMJ-UHFFFAOYSA-N -2 3 367.448 3.010 20 0 FGADHL Cc1nn(-c2ccccc2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470235875 502712372 /nfs/dbraw/zinc/71/23/72/502712372.db2.gz BJOLJESTZVLYNS-KTKRTIGZSA-N -2 3 364.405 3.091 20 0 FGADHL CCCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000470266093 502720227 /nfs/dbraw/zinc/72/02/27/502720227.db2.gz XMRSKLPJBYNIFY-VURMDHGXSA-N -2 3 358.394 3.086 20 0 FGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000485039753 502808248 /nfs/dbraw/zinc/80/82/48/502808248.db2.gz AMFHSPREUNKVGN-LLVKDONJSA-N -2 3 367.389 3.263 20 0 FGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000485039754 502808558 /nfs/dbraw/zinc/80/85/58/502808558.db2.gz AMFHSPREUNKVGN-NSHDSACASA-N -2 3 367.389 3.263 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000489759713 503027968 /nfs/dbraw/zinc/02/79/68/503027968.db2.gz YLDMRIVPKHMDHP-UHFFFAOYSA-N -2 3 367.398 3.422 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c(C(=O)[O-])c1 ZINC000506599201 503141485 /nfs/dbraw/zinc/14/14/85/503141485.db2.gz FLZIYCTXGKTHPZ-UHFFFAOYSA-N -2 3 366.439 3.175 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504702623 503607030 /nfs/dbraw/zinc/60/70/30/503607030.db2.gz HYBPBRSSYQHDEM-NSHDSACASA-N -2 3 367.448 3.061 20 0 FGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000538295864 504195154 /nfs/dbraw/zinc/19/51/54/504195154.db2.gz GFBCJSQLHKQMRG-GFCCVEGCSA-N -2 3 351.424 3.379 20 0 FGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000547900440 504260165 /nfs/dbraw/zinc/26/01/65/504260165.db2.gz PNMQLFJTJPNKII-UHFFFAOYSA-N -2 3 367.810 3.432 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C(=O)[O-])c1 ZINC000547939888 504266201 /nfs/dbraw/zinc/26/62/01/504266201.db2.gz NVFKTMLNMPQNAC-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548220340 504369936 /nfs/dbraw/zinc/36/99/36/504369936.db2.gz AUYHFZYIRLMJEI-LBPRGKRZSA-N -2 3 366.266 3.305 20 0 FGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000548525826 504477798 /nfs/dbraw/zinc/47/77/98/504477798.db2.gz OKHCSCXOVHKOHU-UHFFFAOYSA-N -3 3 363.391 3.007 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000548591995 504487201 /nfs/dbraw/zinc/48/72/01/504487201.db2.gz KJNUQFUGZHJTKB-VIFPVBQESA-N -2 3 359.831 3.174 20 0 FGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000548590398 504487218 /nfs/dbraw/zinc/48/72/18/504487218.db2.gz MPQVJXLGLREBRR-CABZTGNLSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c1Cl ZINC000548590527 504487333 /nfs/dbraw/zinc/48/73/33/504487333.db2.gz OMEKDKGTBHBRQQ-SNVBAGLBSA-N -2 3 368.282 3.470 20 0 FGADHL COc1ccc([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c1 ZINC000539605866 504623640 /nfs/dbraw/zinc/62/36/40/504623640.db2.gz ABHMAWGTNDAWJM-UHFFFAOYSA-N -2 3 367.357 3.270 20 0 FGADHL O=C([O-])CC1(CC[N-]S(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC000566053432 505066248 /nfs/dbraw/zinc/06/62/48/505066248.db2.gz HCKDYNFADLJWJH-UHFFFAOYSA-N -2 3 361.410 3.058 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cs1 ZINC000550918735 505124810 /nfs/dbraw/zinc/12/48/10/505124810.db2.gz YZCSIEQNCXYZFX-NSHDSACASA-N -2 3 365.354 3.028 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)cc1C(=O)[O-] ZINC000564653888 505483520 /nfs/dbraw/zinc/48/35/20/505483520.db2.gz TXSICEPBNPVYMK-MRXNPFEDSA-N -2 3 367.398 3.245 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)sc1Cl ZINC000583846869 507005794 /nfs/dbraw/zinc/00/57/94/507005794.db2.gz DVXGKJGEMSXVAO-VIFPVBQESA-N -2 3 365.885 3.266 20 0 FGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(Cl)c3)ccc2O1 ZINC000592003623 507448022 /nfs/dbraw/zinc/44/80/22/507448022.db2.gz MISSJXYERJUIRE-SECBINFHSA-N -2 3 367.810 3.162 20 0 FGADHL O=C([O-])C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1 ZINC000833198731 600798647 /nfs/dbraw/zinc/79/86/47/600798647.db2.gz HHVIARDYKAYBJL-OAHLLOKOSA-N -2 3 370.792 3.127 20 0 FGADHL O=C([O-])N1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000738486975 601187743 /nfs/dbraw/zinc/18/77/43/601187743.db2.gz NOKQIRGIDSVJDJ-UHFFFAOYSA-N -2 3 356.378 3.057 20 0 FGADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000833344564 601383328 /nfs/dbraw/zinc/38/33/28/601383328.db2.gz CVLCYUZWYAQKLY-UHFFFAOYSA-N -2 3 365.169 3.027 20 0 FGADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000391279517 601444146 /nfs/dbraw/zinc/44/41/46/601444146.db2.gz NMBHNJUXVBNYKU-UHFFFAOYSA-N -2 3 371.764 3.035 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000829295330 601808232 /nfs/dbraw/zinc/80/82/32/601808232.db2.gz BWTAQLOYGUCJMM-LBPRGKRZSA-N -2 3 361.410 3.300 20 0 FGADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740083667 602245808 /nfs/dbraw/zinc/24/58/08/602245808.db2.gz YOOPTNWUGSLNLY-UHFFFAOYSA-N -2 3 366.826 3.490 20 0 FGADHL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000825449798 603403253 /nfs/dbraw/zinc/40/32/53/603403253.db2.gz ZTIVCOMEDCQSAW-LBPRGKRZSA-N -2 3 360.435 3.305 20 0 FGADHL CN(C(=O)[O-])C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000827871950 604221102 /nfs/dbraw/zinc/22/11/02/604221102.db2.gz UPGWOTGJLGRBNM-UHFFFAOYSA-N -2 3 370.405 3.399 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832890307 604807508 /nfs/dbraw/zinc/80/75/08/604807508.db2.gz RTWMXKNQVJSFFH-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000834052329 606013887 /nfs/dbraw/zinc/01/38/87/606013887.db2.gz AVTUZZDPYJCTIR-UHFFFAOYSA-N -2 3 363.801 3.414 20 0 FGADHL O=C([O-])Nc1cnc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)cn1 ZINC000834277634 606025529 /nfs/dbraw/zinc/02/55/29/606025529.db2.gz OVXNGJKNSICCGZ-UHFFFAOYSA-N -2 3 372.328 3.315 20 0 FGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000826451561 608864653 /nfs/dbraw/zinc/86/46/53/608864653.db2.gz LSJANLSVCPERRC-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000826451561 608864656 /nfs/dbraw/zinc/86/46/56/608864656.db2.gz LSJANLSVCPERRC-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2csc3ccccc23)c1-c1nnn[n-]1 ZINC000826303933 609423519 /nfs/dbraw/zinc/42/35/19/609423519.db2.gz NCNJVSUJZLATGA-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2csc3ccccc23)c1-c1nn[n-]n1 ZINC000826303933 609423520 /nfs/dbraw/zinc/42/35/20/609423520.db2.gz NCNJVSUJZLATGA-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL O=c1cc(C(F)(F)F)nc(SCc2cc(=O)oc3cc([O-])ccc23)[n-]1 ZINC000127001481 700755865 /nfs/dbraw/zinc/75/58/65/700755865.db2.gz UHBBJOQPWLKQNB-UHFFFAOYSA-N -2 3 370.308 3.305 20 0 FGADHL Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc2s1 ZINC000427301345 714019422 /nfs/dbraw/zinc/01/94/22/714019422.db2.gz JDEXFBFLAMZFTF-UHFFFAOYSA-N -2 3 366.395 3.243 20 0 FGADHL CSc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000663058787 720473233 /nfs/dbraw/zinc/47/32/33/720473233.db2.gz XNVRKRYZQFCAKZ-CVEARBPZSA-N -2 3 357.431 3.055 20 0 FGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000748690519 722701365 /nfs/dbraw/zinc/70/13/65/722701365.db2.gz GCDROTGEWACYOM-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL COc1cccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1F ZINC000769889137 723699019 /nfs/dbraw/zinc/69/90/19/723699019.db2.gz OEQDLMHGYCBOIH-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C ZINC000808125931 725185147 /nfs/dbraw/zinc/18/51/47/725185147.db2.gz FFYCBCUKECVIOV-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000573718046 505603372 /nfs/dbraw/zinc/60/33/72/505603372.db2.gz HKNYABIGNFCYCE-ZDUSSCGKSA-N -2 3 366.464 3.051 20 0 FGADHL COc1ccc(C)cc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000013278594 494284778 /nfs/dbraw/zinc/28/47/78/494284778.db2.gz XKLOHCCLMXCLFF-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)cc(Cl)c2O1 ZINC000131531769 494648290 /nfs/dbraw/zinc/64/82/90/494648290.db2.gz FDAANJOHIKPAIY-MRVPVSSYSA-N -2 3 357.790 3.309 20 0 FGADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000093916930 494935113 /nfs/dbraw/zinc/93/51/13/494935113.db2.gz AHBQLGBIVFDIEW-UHFFFAOYSA-N -2 3 356.403 3.169 20 0 FGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000122949104 495057789 /nfs/dbraw/zinc/05/77/89/495057789.db2.gz APAHSHBEBMJYOJ-CYBMUJFWSA-N -2 3 371.466 3.105 20 0 FGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000122949104 495057791 /nfs/dbraw/zinc/05/77/91/495057791.db2.gz APAHSHBEBMJYOJ-CYBMUJFWSA-N -2 3 371.466 3.105 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000136741329 495398710 /nfs/dbraw/zinc/39/87/10/495398710.db2.gz YPZNBALOCGOQBS-LLVKDONJSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3cc(-c4n[nH]c(=O)[n-]4)ccc3C)n[n-]2)o1 ZINC000571780558 505814454 /nfs/dbraw/zinc/81/44/54/505814454.db2.gz TZLMPPSBYIJKLM-UHFFFAOYSA-N -2 3 364.365 3.030 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3cc(-c4n[nH]c(=O)[n-]4)ccc3C)[n-]n2)o1 ZINC000571780558 505814455 /nfs/dbraw/zinc/81/44/55/505814455.db2.gz TZLMPPSBYIJKLM-UHFFFAOYSA-N -2 3 364.365 3.030 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000568980225 505823467 /nfs/dbraw/zinc/82/34/67/505823467.db2.gz WANRCESVSXIACY-UHFFFAOYSA-N -2 3 357.815 3.153 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])sc1Cl ZINC000231807342 497110265 /nfs/dbraw/zinc/11/02/65/497110265.db2.gz REDGAVYQNKWIQX-WCBMZHEXSA-N -2 3 353.893 3.268 20 0 FGADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000236696814 497133579 /nfs/dbraw/zinc/13/35/79/497133579.db2.gz JPTYXXNEDBVMED-AWEZNQCLSA-N -2 3 353.465 3.164 20 0 FGADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000322203176 498816884 /nfs/dbraw/zinc/81/68/84/498816884.db2.gz RNELNKRQJLHJNN-UWVGGRQHSA-N -2 3 363.863 3.150 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000323538231 498821258 /nfs/dbraw/zinc/82/12/58/498821258.db2.gz NRFOJWLIETVZJQ-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL C[C@]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)(C(=O)[O-])C1CC1 ZINC000576224489 506106084 /nfs/dbraw/zinc/10/60/84/506106084.db2.gz SOMTVBZJMRPWPY-CQSZACIVSA-N -2 3 359.856 3.086 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000392267086 499558558 /nfs/dbraw/zinc/55/85/58/499558558.db2.gz YCWDPDILSPINRM-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000399440798 499568135 /nfs/dbraw/zinc/56/81/35/499568135.db2.gz KTTWOXMRKXRYTR-KWQFWETISA-N -2 3 354.255 3.017 20 0 FGADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)CCCC(C)(C)C ZINC000582364085 506196528 /nfs/dbraw/zinc/19/65/28/506196528.db2.gz USWJQKUSQQITOG-UHFFFAOYSA-N -2 3 357.472 3.280 20 0 FGADHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000436988719 500587997 /nfs/dbraw/zinc/58/79/97/500587997.db2.gz XXXGGNHQZMIFQR-UHFFFAOYSA-N -2 3 350.712 3.361 20 0 FGADHL Cc1ccc(-c2cc(=NC(=O)c3c[n-]nc3-c3c(F)cccc3F)[nH][n-]2)o1 ZINC000447800726 500664152 /nfs/dbraw/zinc/66/41/52/500664152.db2.gz WOZLTNVMHYAILT-UHFFFAOYSA-N -2 3 369.331 3.321 20 0 FGADHL CCc1cc(=O)[n-]c(SC/C=C\CSc2nc(CC)cc(=O)[n-]2)n1 ZINC000436241791 501094379 /nfs/dbraw/zinc/09/43/79/501094379.db2.gz CZSOPHWYIJUEJX-WAYWQWQTSA-N -2 3 364.496 3.243 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000436662711 501181698 /nfs/dbraw/zinc/18/16/98/501181698.db2.gz HDXKNCTXSNEMDK-UHFFFAOYSA-N -2 3 363.435 3.178 20 0 FGADHL O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2ccccc12 ZINC000436750018 501204101 /nfs/dbraw/zinc/20/41/01/501204101.db2.gz LQGLKYWQSBTHGP-UHFFFAOYSA-N -2 3 364.142 3.313 20 0 FGADHL Cn1[n-]c(=NC(=O)c2cc(Cl)c3ccccc3c2[O-])cc1OC(F)F ZINC000436823078 501216877 /nfs/dbraw/zinc/21/68/77/501216877.db2.gz YWBSVYJNONQIMU-UHFFFAOYSA-N -2 3 367.739 3.208 20 0 FGADHL CCOC(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c([O-])c1 ZINC000436894994 501229005 /nfs/dbraw/zinc/22/90/05/501229005.db2.gz HJMUWKBXNFSLBM-UHFFFAOYSA-N -2 3 353.733 3.319 20 0 FGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000479262627 502208268 /nfs/dbraw/zinc/20/82/68/502208268.db2.gz ZBBGGXLEQJCOEW-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000479581647 502304896 /nfs/dbraw/zinc/30/48/96/502304896.db2.gz RLMBFUDLOOVMDU-JTQLQIEISA-N -2 3 354.255 3.224 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476386265 502475923 /nfs/dbraw/zinc/47/59/23/502475923.db2.gz CQALKKPLSDTLNL-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1OC(F)F ZINC000466281758 502525017 /nfs/dbraw/zinc/52/50/17/502525017.db2.gz WBCAZPZTLMXFKY-UHFFFAOYSA-N -2 3 371.361 3.404 20 0 FGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000485043962 502809266 /nfs/dbraw/zinc/80/92/66/502809266.db2.gz UTWZQHXYWZLSMK-NSHDSACASA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)(C)c1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000506245386 503077220 /nfs/dbraw/zinc/07/72/20/503077220.db2.gz BEASYMGAYJDVAS-UHFFFAOYSA-N -2 3 362.451 3.314 20 0 FGADHL COC(=O)c1cc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c[n-]1 ZINC000493025027 503400842 /nfs/dbraw/zinc/40/08/42/503400842.db2.gz GHFOEYLGQNTUBF-UHFFFAOYSA-N -2 3 373.590 3.175 20 0 FGADHL Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000503544313 503433985 /nfs/dbraw/zinc/43/39/85/503433985.db2.gz ZBSDUHQSRXBRPF-UHFFFAOYSA-N -2 3 365.162 3.126 20 0 FGADHL Cc1cc(Br)c([O-])c(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000503544313 503433987 /nfs/dbraw/zinc/43/39/87/503433987.db2.gz ZBSDUHQSRXBRPF-UHFFFAOYSA-N -2 3 365.162 3.126 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000508241512 503461181 /nfs/dbraw/zinc/46/11/81/503461181.db2.gz KMQSMIZUMKCPOS-UHFFFAOYSA-N -2 3 366.414 3.453 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c(F)c1 ZINC000500370360 503609884 /nfs/dbraw/zinc/60/98/84/503609884.db2.gz YHOABNSYVSXTMW-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL CCOC(=O)c1sc2[n-]c(-c3ccc(C(=O)[O-])s3)nc(=O)c2c1C ZINC000494885579 503629689 /nfs/dbraw/zinc/62/96/89/503629689.db2.gz ICVHMIDEOWRNGI-UHFFFAOYSA-N -2 3 364.404 3.309 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c1 ZINC000540498403 503793902 /nfs/dbraw/zinc/79/39/02/503793902.db2.gz ZFXVGPKNRKZIGO-UHFFFAOYSA-N -2 3 361.423 3.132 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000546959946 503938498 /nfs/dbraw/zinc/93/84/98/503938498.db2.gz KDEKHEIAXHIBBE-DZGCQCFKSA-N -2 3 365.476 3.136 20 0 FGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000518291978 503945820 /nfs/dbraw/zinc/94/58/20/503945820.db2.gz BDSBKTBWOLLVHY-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1Cl ZINC000530473546 503977625 /nfs/dbraw/zinc/97/76/25/503977625.db2.gz RLWLSVYKRDSQLJ-NSHDSACASA-N -2 3 366.266 3.224 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000530955881 504141914 /nfs/dbraw/zinc/14/19/14/504141914.db2.gz WLLRGUOFGZBSMI-LLVKDONJSA-N -2 3 361.419 3.071 20 0 FGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000547558486 504147104 /nfs/dbraw/zinc/14/71/04/504147104.db2.gz JIZBNAAYENNTDX-JTQLQIEISA-N -2 3 367.389 3.121 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c(Cl)cc1F ZINC000547595706 504152937 /nfs/dbraw/zinc/15/29/37/504152937.db2.gz MRWLUGZDYSLBGQ-UHFFFAOYSA-N -2 3 371.817 3.007 20 0 FGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000547611482 504155782 /nfs/dbraw/zinc/15/57/82/504155782.db2.gz HJWPPLMIILOCCX-LBPRGKRZSA-N -2 3 371.817 3.016 20 0 FGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCCC1 ZINC000547899920 504260261 /nfs/dbraw/zinc/26/02/61/504260261.db2.gz GRRQRKIGFXMBTK-UHFFFAOYSA-N -2 3 373.883 3.478 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(C)c1F ZINC000548202391 504368196 /nfs/dbraw/zinc/36/81/96/504368196.db2.gz JNICMTHRHOXNMD-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c(Cl)cc1F ZINC000548214232 504370533 /nfs/dbraw/zinc/37/05/33/504370533.db2.gz JTGZOAXOYSXZCC-DZGCQCFKSA-N -2 3 363.838 3.099 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548526096 504477884 /nfs/dbraw/zinc/47/78/84/504477884.db2.gz HXYITGFYZBLGRH-AWEZNQCLSA-N -2 3 355.843 3.271 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000548591334 504487422 /nfs/dbraw/zinc/48/74/22/504487422.db2.gz GHCWGSLFKMAIHZ-LBPRGKRZSA-N -2 3 371.430 3.438 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000548596611 504488511 /nfs/dbraw/zinc/48/85/11/504488511.db2.gz PDDBNEXRQGOWIK-UHFFFAOYSA-N -2 3 360.391 3.030 20 0 FGADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-])C1CC1 ZINC000521274641 504699208 /nfs/dbraw/zinc/69/92/08/504699208.db2.gz RPWGFQVHHUSHSJ-XLKFXECMSA-N -2 3 373.883 3.332 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000563591356 505185848 /nfs/dbraw/zinc/18/58/48/505185848.db2.gz ARQKLVMSJLNHRE-LLVKDONJSA-N -2 3 365.854 3.429 20 0 FGADHL CC(C)c1cc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c([O-])c(C(C)C)c1 ZINC000558387327 505373412 /nfs/dbraw/zinc/37/34/12/505373412.db2.gz FEXLNOHBXMIHMS-UHFFFAOYSA-N -2 3 372.469 3.483 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000555456172 505435044 /nfs/dbraw/zinc/43/50/44/505435044.db2.gz QRAKDFVJVCJHST-SECBINFHSA-N -2 3 354.255 3.305 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1C(=O)[O-] ZINC000609459448 506889688 /nfs/dbraw/zinc/88/96/88/506889688.db2.gz JVTJLUXDCYRPSN-UHFFFAOYSA-N -2 3 367.448 3.057 20 0 FGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)c[n-]1 ZINC000585730967 507608203 /nfs/dbraw/zinc/60/82/03/507608203.db2.gz SPXAVUKVRCTDKZ-UHFFFAOYSA-N -2 3 365.455 3.075 20 0 FGADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)CC)cc2)[n-]1 ZINC000585730967 507608205 /nfs/dbraw/zinc/60/82/05/507608205.db2.gz SPXAVUKVRCTDKZ-UHFFFAOYSA-N -2 3 365.455 3.075 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000614772427 507649385 /nfs/dbraw/zinc/64/93/85/507649385.db2.gz QBTRQWBTXNULQX-UHFFFAOYSA-N -2 3 351.449 3.091 20 0 FGADHL Cc1n[n-]c(=NC(=O)c2cc3cc(Br)sc3[n-]2)n1C1CC1 ZINC000614612565 521050129 /nfs/dbraw/zinc/05/01/29/521050129.db2.gz WBMFIJWIGIGZNN-UHFFFAOYSA-N -2 3 366.244 3.479 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])ccc12 ZINC000436478151 568278221 /nfs/dbraw/zinc/27/82/21/568278221.db2.gz PBPRVTXTWHXKBV-UHFFFAOYSA-N -3 3 366.782 3.026 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)o1 ZINC000326654454 599765652 /nfs/dbraw/zinc/76/56/52/599765652.db2.gz BSNHRTSJISLBLT-UHFFFAOYSA-N -2 3 357.387 3.046 20 0 FGADHL O=C([O-])[C@H](OC(=O)c1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000740290363 600455952 /nfs/dbraw/zinc/45/59/52/600455952.db2.gz IOWJVVQWHIZEQL-CYBMUJFWSA-N -2 3 369.142 3.277 20 0 FGADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000832887915 600981293 /nfs/dbraw/zinc/98/12/93/600981293.db2.gz BBHDHQMJTKFHBI-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(Cl)cc1Cl ZINC000320973640 602009087 /nfs/dbraw/zinc/00/90/87/602009087.db2.gz OWHKIBAMJCVLDJ-LURJTMIESA-N -2 3 374.192 3.158 20 0 FGADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000828012527 602053227 /nfs/dbraw/zinc/05/32/27/602053227.db2.gz BKCMTRHLLMGYDQ-NRFANRHFSA-N -2 3 353.418 3.114 20 0 FGADHL Cc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1NC(=O)[O-] ZINC000830234825 603915758 /nfs/dbraw/zinc/91/57/58/603915758.db2.gz XYZMBLZLWCERPB-UHFFFAOYSA-N -2 3 373.319 3.401 20 0 FGADHL O=C([O-])Nc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000832838205 603916647 /nfs/dbraw/zinc/91/66/47/603916647.db2.gz FOUBHJYLUUYUKL-UHFFFAOYSA-N -2 3 359.292 3.092 20 0 FGADHL O=C([O-])C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(Br)c1 ZINC000833772629 604664461 /nfs/dbraw/zinc/66/44/61/604664461.db2.gz FREOPUXYYUICAQ-CYBMUJFWSA-N -2 3 364.195 3.101 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)c(C)c1 ZINC000833734391 605265649 /nfs/dbraw/zinc/26/56/49/605265649.db2.gz BFDNLLSJRNQCMH-UHFFFAOYSA-N -2 3 354.359 3.033 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000826461534 607916410 /nfs/dbraw/zinc/91/64/10/607916410.db2.gz YQBWUVWWQFTVQP-FNORWQNLSA-N -2 3 361.336 3.423 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000826461534 607916411 /nfs/dbraw/zinc/91/64/11/607916411.db2.gz YQBWUVWWQFTVQP-FNORWQNLSA-N -2 3 361.336 3.423 20 0 FGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c1Cl ZINC000029048796 695708624 /nfs/dbraw/zinc/70/86/24/695708624.db2.gz WDENQSZPIUFUHQ-UHFFFAOYSA-N -2 3 365.282 3.110 20 0 FGADHL Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000182420783 705840881 /nfs/dbraw/zinc/84/08/81/705840881.db2.gz GYQCLSDRBHJAMB-UHFFFAOYSA-N -2 3 360.750 3.202 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2F)C(C)C)cc1C(=O)[O-] ZINC000656719860 719449996 /nfs/dbraw/zinc/44/99/96/719449996.db2.gz IJBNQKDDBLKYKG-HNNXBMFYSA-N -2 3 355.387 3.101 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@H]2C)oc1C(=O)[O-] ZINC000663424697 720512224 /nfs/dbraw/zinc/51/22/24/720512224.db2.gz RGUABDWELJIIOJ-PSLIRLAXSA-N -2 3 367.398 3.027 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)oc1C(=O)[O-] ZINC000663428216 720512499 /nfs/dbraw/zinc/51/24/99/720512499.db2.gz PBNLJJHYFTYUJV-UHFFFAOYSA-N -2 3 369.826 3.297 20 0 FGADHL COc1cccc(-c2nc(C=Cc3ncc(C(=O)[O-])c(=O)[n-]3)cs2)c1 ZINC000670369777 721531823 /nfs/dbraw/zinc/53/18/23/721531823.db2.gz AXAZAAZSHMZZKN-WAYWQWQTSA-N -2 3 355.375 3.183 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C(=O)[O-])c1 ZINC000680530994 722128751 /nfs/dbraw/zinc/12/87/51/722128751.db2.gz JPSJLNAUERHRTJ-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000060800316 493954841 /nfs/dbraw/zinc/95/48/41/493954841.db2.gz UVUFESKYYBBBPM-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000091579684 494619579 /nfs/dbraw/zinc/61/95/79/494619579.db2.gz MKDQOAGSHYCKBF-UHFFFAOYSA-N -2 3 351.714 3.019 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1[O-] ZINC000175687868 496500841 /nfs/dbraw/zinc/50/08/41/496500841.db2.gz WJZYBAOJDJJAOB-UHFFFAOYSA-N -2 3 354.815 3.113 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C(=O)[O-] ZINC000164753778 496631266 /nfs/dbraw/zinc/63/12/66/496631266.db2.gz YBCCFSWXJAOFQK-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL O=C([O-])c1ccccc1OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000194399003 497653881 /nfs/dbraw/zinc/65/38/81/497653881.db2.gz AZGWCFREGXDBHH-UHFFFAOYSA-N -2 3 356.403 3.141 20 0 FGADHL CCCN(CC(=O)[O-])Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000263573225 497801696 /nfs/dbraw/zinc/80/16/96/497801696.db2.gz MBIDUXNDAMCSNT-UHFFFAOYSA-N -2 3 357.435 3.361 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c(Cl)cc1F ZINC000578615486 505981392 /nfs/dbraw/zinc/98/13/92/505981392.db2.gz PFLMYERVIVCKFN-MFKMUULPSA-N -2 3 363.838 3.099 20 0 FGADHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000579047778 506082091 /nfs/dbraw/zinc/08/20/91/506082091.db2.gz IOYCBNIHSXBUTH-UHFFFAOYSA-N -2 3 373.789 3.125 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000316184843 498788001 /nfs/dbraw/zinc/78/80/01/498788001.db2.gz ZAAGREUTKCICNA-VHSXEESVSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3F)c2)n1 ZINC000378578496 499533777 /nfs/dbraw/zinc/53/37/77/499533777.db2.gz NYQMPYOLQOIIDX-UHFFFAOYSA-N -2 3 373.409 3.406 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387933100 499550268 /nfs/dbraw/zinc/55/02/68/499550268.db2.gz DAYMOEPWFIWPOE-UWVGGRQHSA-N -2 3 351.827 3.037 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000394905734 499562182 /nfs/dbraw/zinc/56/21/82/499562182.db2.gz SMLVXJGNFBXNBM-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL COCc1ccccc1C=C(C)C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000431163131 500343742 /nfs/dbraw/zinc/34/37/42/500343742.db2.gz MEORQZLSDVUROH-PEGOPYGQSA-N -2 3 354.406 3.381 20 0 FGADHL O=c1nc(-c2ccc([O-])cn2)[n-]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000427463916 500396177 /nfs/dbraw/zinc/39/61/77/500396177.db2.gz BVDGODXEZAVMAG-UHFFFAOYSA-N -2 3 365.370 3.148 20 0 FGADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000448078759 500715729 /nfs/dbraw/zinc/71/57/29/500715729.db2.gz WGQCOHDCIKTOTK-UHFFFAOYSA-N -3 3 353.371 3.154 20 0 FGADHL O=S(=O)([N-]c1ccc(-n2cccn2)c(F)c1)c1cccc(Cl)c1[O-] ZINC000436474396 501134051 /nfs/dbraw/zinc/13/40/51/501134051.db2.gz CTLYPBWTRGOULP-UHFFFAOYSA-N -2 3 367.789 3.171 20 0 FGADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479184 501135709 /nfs/dbraw/zinc/13/57/09/501135709.db2.gz POQWYEVNIBAFMG-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1c([O-])cccc1O ZINC000436645812 501177310 /nfs/dbraw/zinc/17/73/10/501177310.db2.gz DUYNDFGPUMTJGM-UHFFFAOYSA-N -2 3 358.575 3.472 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1C(=O)[O-] ZINC000507955046 503404227 /nfs/dbraw/zinc/40/42/27/503404227.db2.gz YSHWFUUKMDMHIA-UHFFFAOYSA-N -2 3 366.414 3.453 20 0 FGADHL Cc1nc(C=Cc2nc(-c3ccccc3)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728536 503609133 /nfs/dbraw/zinc/60/91/33/503609133.db2.gz DNFDVANORWJQIY-FPLPWBNLSA-N -2 3 353.403 3.412 20 0 FGADHL Cc1cc(F)cc2c(=O)c(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)c[n-]c12 ZINC000495176497 503691042 /nfs/dbraw/zinc/69/10/42/503691042.db2.gz SBOWLYKLXOUNAH-UHFFFAOYSA-N -2 3 362.364 3.040 20 0 FGADHL Cc1cc(F)cc2c([O-])c(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)cnc12 ZINC000495176497 503691045 /nfs/dbraw/zinc/69/10/45/503691045.db2.gz SBOWLYKLXOUNAH-UHFFFAOYSA-N -2 3 362.364 3.040 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000537164316 503823600 /nfs/dbraw/zinc/82/36/00/503823600.db2.gz SDRZUIZGMGDCKO-UHFFFAOYSA-N -2 3 362.451 3.192 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c1 ZINC000537195697 503837035 /nfs/dbraw/zinc/83/70/35/503837035.db2.gz QZSBMRXZGUTBAJ-UHFFFAOYSA-N -2 3 350.421 3.120 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000530152442 503855166 /nfs/dbraw/zinc/85/51/66/503855166.db2.gz RVALXWGLWZJIJK-NSHDSACASA-N -2 3 373.858 3.072 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000517930821 503869538 /nfs/dbraw/zinc/86/95/38/503869538.db2.gz MDBMLYUMQFHALJ-UONOGXRCSA-N -2 3 351.449 3.061 20 0 FGADHL CCCC[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000518397411 503973563 /nfs/dbraw/zinc/97/35/63/503973563.db2.gz REGDQYAFUBCDSA-ZDUSSCGKSA-N -2 3 358.423 3.257 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c(Cl)cc1F ZINC000547545683 504145872 /nfs/dbraw/zinc/14/58/72/504145872.db2.gz XVQCYEKJDBSFKZ-UHFFFAOYSA-N -2 3 371.817 3.007 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000547562440 504148867 /nfs/dbraw/zinc/14/88/67/504148867.db2.gz JCUIGJLNFVZAJO-VIFPVBQESA-N -2 3 359.831 3.174 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000547639697 504164460 /nfs/dbraw/zinc/16/44/60/504164460.db2.gz QVQRLVZPHCLOLL-QMMMGPOBSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c1 ZINC000547933404 504264733 /nfs/dbraw/zinc/26/47/33/504264733.db2.gz RHCUNJXJRPGPMD-HNNXBMFYSA-N -2 3 371.817 3.200 20 0 FGADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000531527153 504335549 /nfs/dbraw/zinc/33/55/49/504335549.db2.gz KDRNRNFMPZRQQP-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000548228610 504371348 /nfs/dbraw/zinc/37/13/48/504371348.db2.gz IAVHYQSANGXUST-VIFPVBQESA-N -2 3 354.255 3.305 20 0 FGADHL CSc1ccccc1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000548359247 504417230 /nfs/dbraw/zinc/41/72/30/504417230.db2.gz QKMRITDHNDCTNW-UHFFFAOYSA-N -2 3 355.412 3.355 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1CC(=O)[O-] ZINC000539237714 504508411 /nfs/dbraw/zinc/50/84/11/504508411.db2.gz DDFQDLDEDPPYGB-UHFFFAOYSA-N -2 3 363.435 3.247 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000520500234 504513235 /nfs/dbraw/zinc/51/32/35/504513235.db2.gz AUESEBWJQXIVLM-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(F)c3)ccc2O1 ZINC000532848330 504766883 /nfs/dbraw/zinc/76/68/83/504766883.db2.gz GJELJXUQAFKIRU-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000566005050 505052353 /nfs/dbraw/zinc/05/23/53/505052353.db2.gz OZONVPOFFQTIBU-PELKAZGASA-N -2 3 354.255 3.017 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)c1 ZINC000567154429 505379577 /nfs/dbraw/zinc/37/95/77/505379577.db2.gz RGWYYXJVRWNVLM-NSHDSACASA-N -2 3 371.455 3.051 20 0 FGADHL CSc1nc(C)c(CCC(=O)Nc2c([O-])cccc2Cl)c(=O)[n-]1 ZINC000564398904 505407988 /nfs/dbraw/zinc/40/79/88/505407988.db2.gz JELSJCHFEIRZPT-UHFFFAOYSA-N -2 3 353.831 3.143 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(OC(F)F)c(F)c1 ZINC000567321264 505426679 /nfs/dbraw/zinc/42/66/79/505426679.db2.gz AWFUHWGBCPKZFD-UHFFFAOYSA-N -2 3 351.277 3.073 20 0 FGADHL C[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000564976699 505565115 /nfs/dbraw/zinc/56/51/15/505565115.db2.gz BAMCOBWGCISXLX-KSSFIOAISA-N -2 3 369.417 3.154 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2CCSC)c1 ZINC000601979563 507538027 /nfs/dbraw/zinc/53/80/27/507538027.db2.gz PIZDSUOPRFJUPQ-UHFFFAOYSA-N -2 3 353.465 3.107 20 0 FGADHL O=C(N=c1ccc([O-])n[n-]1)C1(c2ccc(Br)cc2)CCCC1 ZINC000484449567 514657778 /nfs/dbraw/zinc/65/77/78/514657778.db2.gz WNZSTPPGSMHWBH-UHFFFAOYSA-N -2 3 362.227 3.395 20 0 FGADHL O=C(N=c1ccc([O-])n[n-]1)C1(c2cccc(Br)c2)CCCC1 ZINC000484476903 514663382 /nfs/dbraw/zinc/66/33/82/514663382.db2.gz PLJHUMYRIQJZEM-UHFFFAOYSA-N -2 3 362.227 3.395 20 0 FGADHL CC(C)(c1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1)c1ccccc1 ZINC000471282443 514825465 /nfs/dbraw/zinc/82/54/65/514825465.db2.gz JPCPNPRGHHJCCY-UHFFFAOYSA-N -2 3 369.450 3.286 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)c1C(=O)[O-] ZINC000738743231 600105481 /nfs/dbraw/zinc/10/54/81/600105481.db2.gz AWMGSCUZMJDZOT-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL O=C([O-])c1cccc(COC(=O)c2cccc(Br)c2[O-])c1 ZINC000740226803 600110301 /nfs/dbraw/zinc/11/03/01/600110301.db2.gz MVIAHTIALSAWOQ-UHFFFAOYSA-N -2 3 351.152 3.210 20 0 FGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825721751 607535153 /nfs/dbraw/zinc/53/51/53/607535153.db2.gz AIURXRQLGYRNFM-UHFFFAOYSA-N -2 3 371.466 3.101 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Oc3ccc(SCC(=O)[O-])cc3)n[n-]2)o1 ZINC000832906335 601998242 /nfs/dbraw/zinc/99/82/42/601998242.db2.gz ZMJBGHAEOSLOFS-UHFFFAOYSA-N -2 3 358.375 3.374 20 0 FGADHL O=C([O-])N[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000738652106 602026218 /nfs/dbraw/zinc/02/62/18/602026218.db2.gz ANMBYKZPCLORPK-KRWDZBQOSA-N -2 3 368.433 3.050 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](NC(=O)[O-])[C@H](C)CC)c2)n1 ZINC000739536936 602128598 /nfs/dbraw/zinc/12/85/98/602128598.db2.gz WUACDIOOWSNJRW-BDJLRTHQSA-N -2 3 372.425 3.032 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc(C)c1F ZINC000740094671 602819717 /nfs/dbraw/zinc/81/97/17/602819717.db2.gz WIIICHQFXFLASQ-UHFFFAOYSA-N -2 3 364.398 3.284 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000827444130 603400567 /nfs/dbraw/zinc/40/05/67/603400567.db2.gz CHVJLRVEDCIEQJ-LBPRGKRZSA-N -2 3 364.423 3.215 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000833507048 605006289 /nfs/dbraw/zinc/00/62/89/605006289.db2.gz XZJMMQXVFVSFML-UHFFFAOYSA-N -2 3 350.396 3.365 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833505135 605142850 /nfs/dbraw/zinc/14/28/50/605142850.db2.gz WYVPPBGOJQJJSY-UHFFFAOYSA-N -2 3 358.416 3.207 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)c1nc(C)cs1 ZINC000185007455 712681078 /nfs/dbraw/zinc/68/10/78/712681078.db2.gz TWYBXRPGQOJANM-GFCCVEGCSA-N -2 3 372.443 3.027 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000324635463 713816440 /nfs/dbraw/zinc/81/64/40/713816440.db2.gz VKUMIIUQYDHWRD-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000629288041 716252841 /nfs/dbraw/zinc/25/28/41/716252841.db2.gz IPDDXGQQEFTVOB-AWEZNQCLSA-N -2 3 373.833 3.184 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1F ZINC000629332388 716269470 /nfs/dbraw/zinc/26/94/70/716269470.db2.gz IUTYTBFQULVYNL-UHFFFAOYSA-N -2 3 355.387 3.130 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c1Cl ZINC000650432122 718676937 /nfs/dbraw/zinc/67/69/37/718676937.db2.gz OFBAZMNPMNKRRJ-JTQLQIEISA-N -2 3 366.266 3.081 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000045945477 209326573 /nfs/dbraw/zinc/32/65/73/209326573.db2.gz BFBUTJYPMLOEFY-UHFFFAOYSA-N -2 3 359.325 3.165 20 0 FGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000109766079 209311771 /nfs/dbraw/zinc/31/17/71/209311771.db2.gz MGKOZNKALAZOSI-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL CCOc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)cc(Br)c1[O-] ZINC000576959414 505634353 /nfs/dbraw/zinc/63/43/53/505634353.db2.gz BQQNMIBOOOUAFT-NSHDSACASA-N -2 3 372.259 3.240 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000573892039 505645020 /nfs/dbraw/zinc/64/50/20/505645020.db2.gz YRDCZXFDFAVXMM-IUCAKERBSA-N -2 3 373.418 3.325 20 0 FGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000031665646 493953870 /nfs/dbraw/zinc/95/38/70/493953870.db2.gz FUIROERMYHFOAA-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000033891397 494064150 /nfs/dbraw/zinc/06/41/50/494064150.db2.gz CPAJSOGQAMJKQJ-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2F)c(Br)c1 ZINC000071392902 494092267 /nfs/dbraw/zinc/09/22/67/494092267.db2.gz OZIFSGIXNZUYDX-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000080027470 494573286 /nfs/dbraw/zinc/57/32/86/494573286.db2.gz OEVIZECENVSQTE-SNVBAGLBSA-N -2 3 362.430 3.140 20 0 FGADHL O=C(Nc1cc(Br)ccc1[O-])c1c[n-]c2ccccc2c1=O ZINC000126586574 494795590 /nfs/dbraw/zinc/79/55/90/494795590.db2.gz UXKXWZSUPFCFNW-UHFFFAOYSA-N -2 3 359.179 3.249 20 0 FGADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000574383822 505761367 /nfs/dbraw/zinc/76/13/67/505761367.db2.gz OLULDAJUVFUQOT-NEPJUHHUSA-N -2 3 353.827 3.025 20 0 FGADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000172355962 496267260 /nfs/dbraw/zinc/26/72/60/496267260.db2.gz ZQQHNCAHNOJRPY-UHFFFAOYSA-N -2 3 368.842 3.450 20 0 FGADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182010765 496633232 /nfs/dbraw/zinc/63/32/32/496633232.db2.gz FIRHKSJORAQIPN-UHFFFAOYSA-N -2 3 374.340 3.035 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cc2ccccc2o1 ZINC000191753316 496878713 /nfs/dbraw/zinc/87/87/13/496878713.db2.gz LXYIWXNWKITNTJ-VIFPVBQESA-N -2 3 351.405 3.232 20 0 FGADHL Cc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1OC(F)F ZINC000195503669 496942827 /nfs/dbraw/zinc/94/28/27/496942827.db2.gz LFMWWEBQBYSUQT-SOFGYWHQSA-N -2 3 364.348 3.176 20 0 FGADHL CCc1cccc2c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c[nH]c21 ZINC000195503283 496943269 /nfs/dbraw/zinc/94/32/69/496943269.db2.gz CEVXRNJIFUDTES-VQHVLOKHSA-N -2 3 351.406 3.310 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])sc1Cl ZINC000231807328 497110694 /nfs/dbraw/zinc/11/06/94/497110694.db2.gz QWFAVKPUERXBSF-UHFFFAOYSA-N -2 3 353.893 3.269 20 0 FGADHL O=C(N=c1nc(SCc2ccccc2)[n-]s1)[N-]O[C@H]1CCCCO1 ZINC000274859630 497184126 /nfs/dbraw/zinc/18/41/26/497184126.db2.gz TYSRXKVHJAFGPP-LBPRGKRZSA-N -2 3 366.468 3.410 20 0 FGADHL C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000581249142 505942949 /nfs/dbraw/zinc/94/29/49/505942949.db2.gz QAGLVLQRQAIIRQ-LBPRGKRZSA-N -2 3 351.424 3.013 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000317052476 498791099 /nfs/dbraw/zinc/79/10/99/498791099.db2.gz DBIXUYOADFVASI-JSGCOSHPSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000320403567 498807686 /nfs/dbraw/zinc/80/76/86/498807686.db2.gz GMATYRBCTXQSLU-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1OC(C)C ZINC000327836814 498863624 /nfs/dbraw/zinc/86/36/24/498863624.db2.gz OFQUPKLNWNUUFX-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000328149941 498867214 /nfs/dbraw/zinc/86/72/14/498867214.db2.gz NSCQYJBUPWELHC-GFCCVEGCSA-N -2 3 361.419 3.001 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000390614036 499554654 /nfs/dbraw/zinc/55/46/54/499554654.db2.gz XPVMGFRQOSKKET-UHFFFAOYSA-N -2 3 361.847 3.048 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1C(=O)[O-] ZINC000391797170 499557406 /nfs/dbraw/zinc/55/74/06/499557406.db2.gz PSYSBSPKKHVRPI-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Cl ZINC000391953750 499557647 /nfs/dbraw/zinc/55/76/47/499557647.db2.gz VFTHZDIFTHDJMX-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000421152610 499973662 /nfs/dbraw/zinc/97/36/62/499973662.db2.gz KVLWDMDISBPRNS-NSHDSACASA-N -2 3 371.377 3.094 20 0 FGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000436998778 500590222 /nfs/dbraw/zinc/59/02/22/500590222.db2.gz ZBLVOIGZOSJZOG-UHFFFAOYSA-N -3 3 369.398 3.143 20 0 FGADHL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3[O-])cc2O1 ZINC000442853595 500634718 /nfs/dbraw/zinc/63/47/18/500634718.db2.gz UVZTZJRIIIOSPU-KRWDZBQOSA-N -2 3 365.407 3.099 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2O)c1 ZINC000443534766 500735556 /nfs/dbraw/zinc/73/55/56/500735556.db2.gz YRSSSCLWACNRCV-UHFFFAOYSA-N -2 3 351.424 3.205 20 0 FGADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000446634477 501146022 /nfs/dbraw/zinc/14/60/22/501146022.db2.gz MCFKORWYHAFLKM-UHFFFAOYSA-N -3 3 373.427 3.389 20 0 FGADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)c([O-])c(F)c1 ZINC000436523200 501147258 /nfs/dbraw/zinc/14/72/58/501147258.db2.gz QSLQKCPTGXSWML-UHFFFAOYSA-N -2 3 351.259 3.013 20 0 FGADHL COc1cccc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c1[O-] ZINC000436638094 501175823 /nfs/dbraw/zinc/17/58/23/501175823.db2.gz ZKWBOMRUDBWISA-UHFFFAOYSA-N -2 3 373.796 3.127 20 0 FGADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)c([O-])c2O1 ZINC000436728867 501198695 /nfs/dbraw/zinc/19/86/95/501198695.db2.gz OMKGSCDLCOBPFV-UHFFFAOYSA-N -2 3 365.389 3.454 20 0 FGADHL O=C(N=c1[nH][n-]cc1Br)c1cc(Cl)c2ccccc2c1[O-] ZINC000436742588 501202449 /nfs/dbraw/zinc/20/24/49/501202449.db2.gz VXSNSPVNKVJSHD-UHFFFAOYSA-N -2 3 366.602 3.359 20 0 FGADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)c1[O-] ZINC000436769682 501208598 /nfs/dbraw/zinc/20/85/98/501208598.db2.gz KIFWWQWOPLCGAA-ZDUSSCGKSA-N -2 3 363.435 3.033 20 0 FGADHL O=C(NCc1ccc([O-])c(F)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000478282886 501930314 /nfs/dbraw/zinc/93/03/14/501930314.db2.gz REIIGKTZDQTUHT-UHFFFAOYSA-N -2 3 361.760 3.006 20 0 FGADHL O=C([O-])c1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1Cl ZINC000485979173 502009282 /nfs/dbraw/zinc/00/92/82/502009282.db2.gz DLEJMZVDHPTXHC-SNAWJCMRSA-N -2 3 353.765 3.354 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)cc1C(=O)[O-] ZINC000479542966 502292834 /nfs/dbraw/zinc/29/28/34/502292834.db2.gz YLHBQIFFOVEIHS-UHFFFAOYSA-N -2 3 367.398 3.204 20 0 FGADHL FC(F)(F)c1nnc(CN=c2[n-]nc(-c3ccccc3Cl)s2)[n-]1 ZINC000480325005 502538115 /nfs/dbraw/zinc/53/81/15/502538115.db2.gz JGOSGBCCGAMILP-UHFFFAOYSA-N -2 3 360.752 3.029 20 0 FGADHL FC(F)(F)c1nc(CN=c2[n-]nc(-c3ccccc3Cl)s2)n[n-]1 ZINC000480325005 502538117 /nfs/dbraw/zinc/53/81/17/502538117.db2.gz JGOSGBCCGAMILP-UHFFFAOYSA-N -2 3 360.752 3.029 20 0 FGADHL FC(F)(F)c1n[n-]c(CN=c2[n-]nc(-c3ccccc3Cl)s2)n1 ZINC000480325005 502538120 /nfs/dbraw/zinc/53/81/20/502538120.db2.gz JGOSGBCCGAMILP-UHFFFAOYSA-N -2 3 360.752 3.029 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)ccc1[O-] ZINC000484628539 502688950 /nfs/dbraw/zinc/68/89/50/502688950.db2.gz IGMKLBGAJVXUDD-UHFFFAOYSA-N -2 3 372.402 3.010 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(F)c1 ZINC000497860382 503056713 /nfs/dbraw/zinc/05/67/13/503056713.db2.gz UFULHULDMIHCHX-UHFFFAOYSA-N -2 3 359.400 3.173 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(F)ccc1Br ZINC000504228991 503541081 /nfs/dbraw/zinc/54/10/81/503541081.db2.gz CTRYCJJVHNLVFH-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1Cl ZINC000504508187 503581904 /nfs/dbraw/zinc/58/19/04/503581904.db2.gz SAPXNIKNMBCCMX-UHFFFAOYSA-N -2 3 369.826 3.303 20 0 FGADHL Cc1nc(C=Cc2ccc(Br)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504721981 503608618 /nfs/dbraw/zinc/60/86/18/503608618.db2.gz SDPOOQMHXDNUFF-HYXAFXHYSA-N -2 3 367.174 3.190 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000543167218 503655287 /nfs/dbraw/zinc/65/52/87/503655287.db2.gz ZYZKLIUIUNFHDT-LBPRGKRZSA-N -2 3 363.435 3.383 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2 ZINC000530145148 503852402 /nfs/dbraw/zinc/85/24/02/503852402.db2.gz MWVVEAQPTWDZGW-UHFFFAOYSA-N -2 3 355.799 3.229 20 0 FGADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000518731471 504050233 /nfs/dbraw/zinc/05/02/33/504050233.db2.gz CJDQSSAIJLKSSM-KCJUWKMLSA-N -2 3 359.856 3.086 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c(F)cc1F ZINC000547557011 504147335 /nfs/dbraw/zinc/14/73/35/504147335.db2.gz GQYLLODMLLGHPH-OAHLLOKOSA-N -2 3 369.389 3.158 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000547594039 504153072 /nfs/dbraw/zinc/15/30/72/504153072.db2.gz AIOLKWVPIBJPBX-CQSZACIVSA-N -2 3 371.817 3.282 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)c1 ZINC000538299128 504196360 /nfs/dbraw/zinc/19/63/60/504196360.db2.gz RKMCYZBDHPMDFH-UHFFFAOYSA-N -2 3 351.424 3.379 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000547872083 504256274 /nfs/dbraw/zinc/25/62/74/504256274.db2.gz SQAOHBCBHBPHQC-UHFFFAOYSA-N -2 3 355.412 3.188 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1Cl ZINC000547941697 504267216 /nfs/dbraw/zinc/26/72/16/504267216.db2.gz ZXQNNDBGZSGXAR-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1F ZINC000534900925 504275312 /nfs/dbraw/zinc/27/53/12/504275312.db2.gz ZMSXURWTZLQUQY-UHFFFAOYSA-N -2 3 367.782 3.487 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000548204760 504367687 /nfs/dbraw/zinc/36/76/87/504367687.db2.gz PEPPFASWOQZMKF-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000548205601 504368387 /nfs/dbraw/zinc/36/83/87/504368387.db2.gz GMBCVRFMTNSWTG-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548591963 504486979 /nfs/dbraw/zinc/48/69/79/504486979.db2.gz MDDMTCARAQHHTD-CYBMUJFWSA-N -2 3 355.843 3.128 20 0 FGADHL COc1ccc(-c2ocnc2C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000520459648 504505053 /nfs/dbraw/zinc/50/50/53/504505053.db2.gz AZIZZEGZGAISJJ-UHFFFAOYSA-N -2 3 365.349 3.289 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(F)c(F)cc3F)c1)CCC2 ZINC000521530460 504753228 /nfs/dbraw/zinc/75/32/28/504753228.db2.gz IFCLNSZRLAMGEL-UHFFFAOYSA-N -2 3 371.336 3.092 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC000565831476 505001329 /nfs/dbraw/zinc/00/13/29/505001329.db2.gz SFYFLHISDPLMKL-CQSZACIVSA-N -2 3 373.377 3.322 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])sc1Cl ZINC000583306877 506707937 /nfs/dbraw/zinc/70/79/37/506707937.db2.gz JVPDIIOVERTQHK-GHMZBOCLSA-N -2 3 365.904 3.412 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(C(=O)[O-])cc3)nc2)n1 ZINC000737250638 600074069 /nfs/dbraw/zinc/07/40/69/600074069.db2.gz JWMFRVLGJNGIRC-UHFFFAOYSA-N -2 3 350.378 3.117 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)c1O ZINC000391222549 600176961 /nfs/dbraw/zinc/17/69/61/600176961.db2.gz LSYLQUBVXMHKBQ-HJWRWDBZSA-N -2 3 353.783 3.156 20 0 FGADHL CN(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)C(=O)[O-] ZINC000737486666 600300430 /nfs/dbraw/zinc/30/04/30/600300430.db2.gz UAPVRGZEEOUBGO-UHFFFAOYSA-N -2 3 374.462 3.476 20 0 FGADHL CN(Cc1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1)C(=O)[O-] ZINC000737485431 600331340 /nfs/dbraw/zinc/33/13/40/600331340.db2.gz NLBKJBKTKZYNNR-UHFFFAOYSA-N -2 3 370.405 3.468 20 0 FGADHL Cc1c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)oc2ccccc12 ZINC000738288875 600636365 /nfs/dbraw/zinc/63/63/65/600636365.db2.gz JRDSDQKSMKYDGN-UHFFFAOYSA-N -2 3 363.366 3.057 20 0 FGADHL O=C([O-])CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2o1 ZINC000823387014 607458806 /nfs/dbraw/zinc/45/88/06/607458806.db2.gz BAGOXWONZBDEOA-KPKJPENVSA-N -2 3 365.324 3.162 20 0 FGADHL O=C([O-])CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2o1 ZINC000823387014 607458808 /nfs/dbraw/zinc/45/88/08/607458808.db2.gz BAGOXWONZBDEOA-KPKJPENVSA-N -2 3 365.324 3.162 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000833029000 601220394 /nfs/dbraw/zinc/22/03/94/601220394.db2.gz WFLUZDSYLJLVCT-UHFFFAOYSA-N -2 3 357.815 3.153 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c1C(=O)[O-] ZINC000832972564 602309728 /nfs/dbraw/zinc/30/97/28/602309728.db2.gz FVCBVICWXDPAQI-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc(C(=O)[O-])c1F ZINC000133140172 700835229 /nfs/dbraw/zinc/83/52/29/700835229.db2.gz KVGHDUGIQOBDAL-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1 ZINC000523187246 714222050 /nfs/dbraw/zinc/22/20/50/714222050.db2.gz SKHORJRGDDAABL-UHFFFAOYSA-N -2 3 363.435 3.184 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000646032432 718259255 /nfs/dbraw/zinc/25/92/55/718259255.db2.gz OIWPWADLLZOAOD-JQWIXIFHSA-N -2 3 371.842 3.316 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000663422634 720511983 /nfs/dbraw/zinc/51/19/83/720511983.db2.gz GMXFSWFGEZDONG-JSGCOSHPSA-N -2 3 367.398 3.040 20 0 FGADHL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000673981533 721678709 /nfs/dbraw/zinc/67/87/09/721678709.db2.gz FSVKOYMSOTYPCV-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc(Br)c1F ZINC000685001379 722370795 /nfs/dbraw/zinc/37/07/95/722370795.db2.gz CUIAULPNQBEOCV-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000094703114 494957493 /nfs/dbraw/zinc/95/74/93/494957493.db2.gz ONUBLXKDNKXVHD-VIFPVBQESA-N -2 3 354.255 3.019 20 0 FGADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)CCOCC2CCCC2)cc1 ZINC000579930421 505648634 /nfs/dbraw/zinc/64/86/34/505648634.db2.gz HZSJZOKASANEAE-AWEZNQCLSA-N -2 3 369.483 3.213 20 0 FGADHL CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000131399124 494606931 /nfs/dbraw/zinc/60/69/31/494606931.db2.gz JGBMATZZOGLXKU-UHFFFAOYSA-N -2 3 372.377 3.075 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000136734332 495397968 /nfs/dbraw/zinc/39/79/68/495397968.db2.gz PQBDACPRKMPREE-JTQLQIEISA-N -2 3 354.255 3.161 20 0 FGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C ZINC000580619505 505798644 /nfs/dbraw/zinc/79/86/44/505798644.db2.gz JJQFVUOCSMGNGG-UHFFFAOYSA-N -2 3 359.787 3.057 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000569194991 505873693 /nfs/dbraw/zinc/87/36/93/505873693.db2.gz JIXNHGGDNAPFPW-MFKMUULPSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])sc1Cl ZINC000231807889 497110288 /nfs/dbraw/zinc/11/02/88/497110288.db2.gz HLSGERVIRBOMHZ-NOZJJQNGSA-N -2 3 351.877 3.022 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000262432825 497555999 /nfs/dbraw/zinc/55/59/99/497555999.db2.gz FNXZGHYVZGTALB-JTQLQIEISA-N -2 3 374.509 3.102 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)C[C@@H]3CCCC3(F)F)ccc12 ZINC000296969044 498270018 /nfs/dbraw/zinc/27/00/18/498270018.db2.gz ONMADUMOVZTGKB-VIFPVBQESA-N -2 3 358.366 3.043 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000317652923 498793940 /nfs/dbraw/zinc/79/39/40/498793940.db2.gz ZPVYGRRUVKHKBG-KOLCDFICSA-N -2 3 366.266 3.305 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000579307443 506141878 /nfs/dbraw/zinc/14/18/78/506141878.db2.gz BXEUVESWKJDTAX-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387608129 499549766 /nfs/dbraw/zinc/54/97/66/499549766.db2.gz SOBJLKFWFFECNA-SNVBAGLBSA-N -2 3 351.827 3.037 20 0 FGADHL C[C@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-])c1ccccc1 ZINC000391726817 499557416 /nfs/dbraw/zinc/55/74/16/499557416.db2.gz SEXDBPULYGRHCZ-SNVBAGLBSA-N -2 3 355.362 3.208 20 0 FGADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000573420674 506190691 /nfs/dbraw/zinc/19/06/91/506190691.db2.gz CLOQDPCSKUZNDR-MRVPVSSYSA-N -2 3 353.774 3.215 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000432067277 500462912 /nfs/dbraw/zinc/46/29/12/500462912.db2.gz OOAMDQFKBXOKDL-UHFFFAOYSA-N -2 3 371.773 3.181 20 0 FGADHL O=C([O-])COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000432709900 500551141 /nfs/dbraw/zinc/55/11/41/500551141.db2.gz USHQZWVIOQEKGC-GHRIWEEISA-N -2 3 362.385 3.017 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000432733554 500554229 /nfs/dbraw/zinc/55/42/29/500554229.db2.gz GUMXQQUISSEFEA-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL COc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000447278192 500584614 /nfs/dbraw/zinc/58/46/14/500584614.db2.gz BHOCGSXNTIGKRS-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC000436998455 500590766 /nfs/dbraw/zinc/59/07/66/500590766.db2.gz CEWCERBSFBBXFZ-UHFFFAOYSA-N -2 3 374.462 3.256 20 0 FGADHL Cc1ccccc1-n1nccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443441834 500725333 /nfs/dbraw/zinc/72/53/33/500725333.db2.gz KWISREYGYCWFKZ-CLFYSBASSA-N -2 3 364.405 3.172 20 0 FGADHL COc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1OC(C)C ZINC000443456311 500727098 /nfs/dbraw/zinc/72/70/98/500727098.db2.gz UDPMRSQCMOORTH-NTMALXAHSA-N -2 3 372.421 3.474 20 0 FGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc(O)cc1[O-] ZINC000436620428 501171222 /nfs/dbraw/zinc/17/12/22/501171222.db2.gz AHKVMHDZZIACDK-UHFFFAOYSA-N -2 3 358.575 3.472 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)cc3F)c1)CCCC2 ZINC000511148949 503268886 /nfs/dbraw/zinc/26/88/86/503268886.db2.gz AKZMBYCZMPYQGP-UHFFFAOYSA-N -2 3 367.373 3.343 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1C(=O)[O-] ZINC000507947225 503402415 /nfs/dbraw/zinc/40/24/15/503402415.db2.gz BRDJKGAHTGHNCN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504686716 503605077 /nfs/dbraw/zinc/60/50/77/503605077.db2.gz JBKHHTZFLBMMSM-UHFFFAOYSA-N -2 3 367.448 3.063 20 0 FGADHL Cc1nc(C=Cc2ccc(OC(F)F)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712389 503607494 /nfs/dbraw/zinc/60/74/94/503607494.db2.gz PAQPORGKONAJBU-HWKANZROSA-N -2 3 354.284 3.029 20 0 FGADHL Cc1nc(C=Cc2ccc3c(c2)CCC(C)(C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000504732801 503609919 /nfs/dbraw/zinc/60/99/19/503609919.db2.gz SATYXRVGOMSWSZ-FNORWQNLSA-N -2 3 354.406 3.392 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c(C)c1C(=O)[O-] ZINC000512757646 503626287 /nfs/dbraw/zinc/62/62/87/503626287.db2.gz OIDXMXUVCJYOID-UHFFFAOYSA-N -2 3 373.430 3.321 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1CC(=O)[O-] ZINC000537037110 503785859 /nfs/dbraw/zinc/78/58/59/503785859.db2.gz OLHBPBVVGJLTLJ-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL O=C([O-])c1ccccc1OCc1nc(=O)c2c([n-]1)sc1c2CCSC1 ZINC000517994358 503883796 /nfs/dbraw/zinc/88/37/96/503883796.db2.gz CQGGPUQNCSFYJA-UHFFFAOYSA-N -2 3 374.443 3.463 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c1Cl ZINC000530473545 503977164 /nfs/dbraw/zinc/97/71/64/503977164.db2.gz RLWLSVYKRDSQLJ-LLVKDONJSA-N -2 3 366.266 3.224 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2CC)cc1C ZINC000530957233 504141791 /nfs/dbraw/zinc/14/17/91/504141791.db2.gz FALLTNAQDORTOD-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1Cl ZINC000547576652 504151180 /nfs/dbraw/zinc/15/11/80/504151180.db2.gz PSTFOWDINYKEBJ-SECBINFHSA-N -2 3 354.255 3.081 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)cc1F ZINC000547611141 504155567 /nfs/dbraw/zinc/15/55/67/504155567.db2.gz FOIWSFQHHWMIFB-MWLCHTKSSA-N -2 3 365.854 3.345 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)Cc3ccc(F)cc3F)ccc12 ZINC000547876211 504255577 /nfs/dbraw/zinc/25/55/77/504255577.db2.gz WYHIQNNVUAJGFR-UHFFFAOYSA-N -2 3 366.345 3.086 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)c(F)c1 ZINC000547901678 504260133 /nfs/dbraw/zinc/26/01/33/504260133.db2.gz JUMODMGOIYZORS-HNNXBMFYSA-N -2 3 371.817 3.200 20 0 FGADHL O=C(Nc1cc(F)ccc1[O-])c1ccc(I)c([O-])c1 ZINC000544862728 504283003 /nfs/dbraw/zinc/28/30/03/504283003.db2.gz UABDHWMOKSXURQ-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1 ZINC000544938529 504305643 /nfs/dbraw/zinc/30/56/43/504305643.db2.gz GIBGDTKJEBBQEM-KRWDZBQOSA-N -2 3 363.410 3.262 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC000548224178 504371160 /nfs/dbraw/zinc/37/11/60/504371160.db2.gz RYOFPKAPXCBBNP-AWEZNQCLSA-N -2 3 371.455 3.289 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000548228609 504371205 /nfs/dbraw/zinc/37/12/05/504371205.db2.gz IAVHYQSANGXUST-SECBINFHSA-N -2 3 354.255 3.305 20 0 FGADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000548593323 504488651 /nfs/dbraw/zinc/48/86/51/504488651.db2.gz TXFOIOLUVZZQFZ-UHFFFAOYSA-N -2 3 369.389 3.269 20 0 FGADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000536395614 504722013 /nfs/dbraw/zinc/72/20/13/504722013.db2.gz PHENIPMBGNLRJZ-UHFFFAOYSA-N -3 3 353.371 3.154 20 0 FGADHL C[C@@]1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000563080538 505041695 /nfs/dbraw/zinc/04/16/95/505041695.db2.gz JPEAJEGVRVVGDL-SMDDNHRTSA-N -2 3 365.373 3.017 20 0 FGADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1F ZINC000566172110 505104431 /nfs/dbraw/zinc/10/44/31/505104431.db2.gz ADKPBUXWNXBWBR-AWEZNQCLSA-N -2 3 373.377 3.384 20 0 FGADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)(C(=O)[O-])C1 ZINC000551911618 505340333 /nfs/dbraw/zinc/34/03/33/505340333.db2.gz JCAQGKCQAYOHCA-AWEZNQCLSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000555456175 505434892 /nfs/dbraw/zinc/43/48/92/505434892.db2.gz QRAKDFVJVCJHST-VIFPVBQESA-N -2 3 354.255 3.305 20 0 FGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000564927771 505559559 /nfs/dbraw/zinc/55/95/59/505559559.db2.gz ZZQUQCJVRDFSKU-UHFFFAOYSA-N -2 3 353.362 3.017 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000567797067 505563958 /nfs/dbraw/zinc/56/39/58/505563958.db2.gz MBWWYJHXXBLCOL-GXTWGEPZSA-N -2 3 367.398 3.040 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](CC(C)C)c2cccs2)cc1C(=O)[O-] ZINC000583379129 506748038 /nfs/dbraw/zinc/74/80/38/506748038.db2.gz HQMHVKRFOYFSTI-GFCCVEGCSA-N -2 3 357.453 3.413 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1F ZINC000607030910 507589665 /nfs/dbraw/zinc/58/96/65/507589665.db2.gz XTXNSNUTMWABAT-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CSc1nc(=O)[n-]c(C)c1C(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000537121042 517045441 /nfs/dbraw/zinc/04/54/41/517045441.db2.gz XXTXLGYLDDVXSW-UHFFFAOYSA-N -2 3 355.423 3.163 20 0 FGADHL O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1cncc([O-])c1 ZINC000738174752 598719579 /nfs/dbraw/zinc/71/95/79/598719579.db2.gz MGVSCGLZCFMLKL-UHFFFAOYSA-N -2 3 374.360 3.012 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000738063740 600101088 /nfs/dbraw/zinc/10/10/88/600101088.db2.gz IZANKYUKOGTKJV-UHFFFAOYSA-N -2 3 354.359 3.033 20 0 FGADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000740024640 600448382 /nfs/dbraw/zinc/44/83/82/600448382.db2.gz IMANACMQCXJRGI-UHFFFAOYSA-N -2 3 360.844 3.012 20 0 FGADHL O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833180888 601093978 /nfs/dbraw/zinc/09/39/78/601093978.db2.gz XSTACRAQDGOXEI-KDOFPFPSSA-N -2 3 368.433 3.024 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c1F ZINC000326743803 601228804 /nfs/dbraw/zinc/22/88/04/601228804.db2.gz JZNYFWAOBRIOED-MRXNPFEDSA-N -2 3 367.373 3.093 20 0 FGADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000833021259 601446515 /nfs/dbraw/zinc/44/65/15/601446515.db2.gz QPSMVKQXPCOUBV-UHFFFAOYSA-N -2 3 350.199 3.231 20 0 FGADHL O=C([O-])CCC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000662218593 601844829 /nfs/dbraw/zinc/84/48/29/601844829.db2.gz YNKWUHMKJIIDHV-UHFFFAOYSA-N -2 3 355.394 3.158 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c(C)c1 ZINC000740065051 602245685 /nfs/dbraw/zinc/24/56/85/602245685.db2.gz ZWEMSOJATBMMII-UHFFFAOYSA-N -2 3 360.435 3.453 20 0 FGADHL O=C([O-])NCCCn1ccc2cc(C(=O)Nc3cccc([O-])c3F)ccc21 ZINC000834237810 605716112 /nfs/dbraw/zinc/71/61/12/605716112.db2.gz DELASCLFKKQVHA-UHFFFAOYSA-N -2 3 371.368 3.396 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1F ZINC000115219969 700584101 /nfs/dbraw/zinc/58/41/01/700584101.db2.gz VQFYIEZUWNCUEN-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1F ZINC000182491700 705846439 /nfs/dbraw/zinc/84/64/39/705846439.db2.gz KUTZNKMWRAEFHD-UHFFFAOYSA-N -2 3 360.750 3.202 20 0 FGADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000309893799 713797211 /nfs/dbraw/zinc/79/72/11/713797211.db2.gz FRDIFBJESNVBNG-CABZTGNLSA-N -2 3 366.266 3.305 20 0 FGADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c1 ZINC000759102065 722999529 /nfs/dbraw/zinc/99/95/29/722999529.db2.gz PBALTDCBXQSNBF-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C(COC(=O)c1cc2sccc2c([O-])c1)[N-]OCc1ccccc1 ZINC000786140947 724962508 /nfs/dbraw/zinc/96/25/08/724962508.db2.gz UFCXVRKNKBNVTI-UHFFFAOYSA-N -2 3 357.387 3.012 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000579561286 505575528 /nfs/dbraw/zinc/57/55/28/505575528.db2.gz AHNRKOQSNKVHFP-JQWIXIFHSA-N -2 3 363.838 3.181 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000063345142 494047290 /nfs/dbraw/zinc/04/72/90/494047290.db2.gz YKGMEDDQDUHFOQ-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000071091902 494086915 /nfs/dbraw/zinc/08/69/15/494086915.db2.gz WUNBDYSQIZEVLJ-UHFFFAOYSA-N -2 3 367.448 3.306 20 0 FGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000078365041 494287990 /nfs/dbraw/zinc/28/79/90/494287990.db2.gz VNMRNMTZXPKESX-UHFFFAOYSA-N -2 3 360.218 3.421 20 0 FGADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000066588311 494360201 /nfs/dbraw/zinc/36/02/01/494360201.db2.gz RPECKHTUKHMKLG-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL O=C(N=c1ncn(Cc2ccccc2)[n-]1)c1cc2cc(Cl)sc2[n-]1 ZINC000580267206 505717205 /nfs/dbraw/zinc/71/72/05/505717205.db2.gz JGTCKQNNKNRDTE-UHFFFAOYSA-N -2 3 357.826 3.197 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000131387189 494602907 /nfs/dbraw/zinc/60/29/07/494602907.db2.gz XIIJLEWXNZKHCL-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000024433079 494629426 /nfs/dbraw/zinc/62/94/26/494629426.db2.gz GCZFNAHTMDIVDJ-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000133576773 495031194 /nfs/dbraw/zinc/03/11/94/495031194.db2.gz FKETVANFMYNNKL-UHFFFAOYSA-N -2 3 363.222 3.139 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c([O-])c1 ZINC000577718792 505782735 /nfs/dbraw/zinc/78/27/35/505782735.db2.gz SZXLZCDBFNOZRP-UHFFFAOYSA-N -2 3 369.826 3.164 20 0 FGADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c2ccccc12 ZINC000182418861 495557118 /nfs/dbraw/zinc/55/71/18/495557118.db2.gz FZSHSJXPOPEIQV-UHFFFAOYSA-N -2 3 374.393 3.444 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC000175688903 496501662 /nfs/dbraw/zinc/50/16/62/496501662.db2.gz BTIYEOZCPFIXKO-UHFFFAOYSA-N -2 3 374.340 3.170 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)c1nc(C)cs1 ZINC000185008945 496620852 /nfs/dbraw/zinc/62/08/52/496620852.db2.gz QSMARVYOQNUSMA-LLVKDONJSA-N -2 3 372.443 3.027 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000578116843 505865669 /nfs/dbraw/zinc/86/56/69/505865669.db2.gz JIXPIOQLFRAMPN-ZWNOBZJWSA-N -2 3 363.838 3.181 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000296941279 498259916 /nfs/dbraw/zinc/25/99/16/498259916.db2.gz MGLPUTGUHJGJGR-JTQLQIEISA-N -2 3 351.346 3.091 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000323444725 498821350 /nfs/dbraw/zinc/82/13/50/498821350.db2.gz DHDBOBBNMZBMHM-UHFFFAOYSA-N -2 3 373.780 3.138 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1C ZINC000325087294 498833126 /nfs/dbraw/zinc/83/31/26/498833126.db2.gz IVYJMRKWBIXVIT-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1C(=O)[O-] ZINC000326751845 498846263 /nfs/dbraw/zinc/84/62/63/498846263.db2.gz MAJUYOXVADJJDV-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000375694237 499546067 /nfs/dbraw/zinc/54/60/67/499546067.db2.gz WQDWGLHNNSDYAX-UHFFFAOYSA-N -2 3 355.419 3.237 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000391713006 499557338 /nfs/dbraw/zinc/55/73/38/499557338.db2.gz AIJZEMRYCOLQAN-VIFPVBQESA-N -2 3 373.780 3.281 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2[O-])cc1OCC ZINC000414381558 499783718 /nfs/dbraw/zinc/78/37/18/499783718.db2.gz IPVBPSFEIGLZQM-UHFFFAOYSA-N -2 3 373.377 3.269 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(OC(F)(F)F)c1F ZINC000427252589 500373871 /nfs/dbraw/zinc/37/38/71/500373871.db2.gz IBQKEMOODQYWEL-UHFFFAOYSA-N -2 3 369.267 3.370 20 0 FGADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1cc(-c2ccccn2)no1 ZINC000431946040 500446641 /nfs/dbraw/zinc/44/66/41/500446641.db2.gz MLJCOSYLQZRKLL-UHFFFAOYSA-N -2 3 368.303 3.052 20 0 FGADHL CC(C)C[C@@H](CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000424258650 500476490 /nfs/dbraw/zinc/47/64/90/500476490.db2.gz YIMDJTUXNDIFLJ-VIFPVBQESA-N -2 3 355.847 3.268 20 0 FGADHL Cc1nc(C=Cc2ccccc2OCC2CC2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457885 500727239 /nfs/dbraw/zinc/72/72/39/500727239.db2.gz XVSVABBTRFPQNR-NTMALXAHSA-N -2 3 354.406 3.467 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)c(F)c2)cc1C(=O)[O-] ZINC000443459135 500727516 /nfs/dbraw/zinc/72/75/16/500727516.db2.gz YHNXCMFPZKVHJF-UHFFFAOYSA-N -2 3 367.398 3.286 20 0 FGADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436477832 501134688 /nfs/dbraw/zinc/13/46/88/501134688.db2.gz MTZUJDFBUPPXOE-UHFFFAOYSA-N -2 3 374.340 3.170 20 0 FGADHL CO[C@H](C)c1nc(=NC(=O)CCc2ccc3ccccc3c2[O-])s[n-]1 ZINC000451506122 501308935 /nfs/dbraw/zinc/30/89/35/501308935.db2.gz UFHSUDWGBCJYAZ-LLVKDONJSA-N -2 3 357.435 3.098 20 0 FGADHL COc1ccc([O-])c(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000482642785 502137429 /nfs/dbraw/zinc/13/74/29/502137429.db2.gz UNYXXWIHQYFCHL-UHFFFAOYSA-N -2 3 352.184 3.430 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497948241 503072673 /nfs/dbraw/zinc/07/26/73/503072673.db2.gz JAHFHYXJRMWGLA-UHFFFAOYSA-N -2 3 361.419 3.283 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000507614469 503332325 /nfs/dbraw/zinc/33/23/25/503332325.db2.gz DBONEVDJQLQHSH-UHFFFAOYSA-N -2 3 369.826 3.167 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(F)c(Br)c1 ZINC000504275365 503547162 /nfs/dbraw/zinc/54/71/62/503547162.db2.gz VPHSYFFXWRMIFQ-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000504728329 503609119 /nfs/dbraw/zinc/60/91/19/503609119.db2.gz BPJPSCCORXZCII-VQHVLOKHSA-N -2 3 372.421 3.476 20 0 FGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)ccc2O1 ZINC000517298373 503706987 /nfs/dbraw/zinc/70/69/87/503706987.db2.gz JBRAZKDEPOSAFZ-VIFPVBQESA-N -2 3 367.810 3.162 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1 ZINC000537198000 503838206 /nfs/dbraw/zinc/83/82/06/503838206.db2.gz RFZRUSHYRFUMNV-UHFFFAOYSA-N -2 3 372.240 3.273 20 0 FGADHL Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000540731885 503873060 /nfs/dbraw/zinc/87/30/60/503873060.db2.gz JMXBEJNYMSYTLM-HDJSIYSDSA-N -2 3 363.410 3.057 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)sc1Cl ZINC000530435344 503963864 /nfs/dbraw/zinc/96/38/64/503963864.db2.gz SOXQJYMCSPAZKT-GFCCVEGCSA-N -2 3 373.883 3.247 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000530955882 504142156 /nfs/dbraw/zinc/14/21/56/504142156.db2.gz WLLRGUOFGZBSMI-NSHDSACASA-N -2 3 361.419 3.071 20 0 FGADHL N#CC1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CCCCC1 ZINC000547541408 504144375 /nfs/dbraw/zinc/14/43/75/504144375.db2.gz KLQLCCXYDFSBAH-UHFFFAOYSA-N -2 3 356.831 3.254 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1N(C)C ZINC000547545874 504144960 /nfs/dbraw/zinc/14/49/60/504144960.db2.gz RAANMXVSSGUPQG-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)(CC(=O)[O-])C1 ZINC000547567982 504149065 /nfs/dbraw/zinc/14/90/65/504149065.db2.gz JZSAKXOPVFQLEU-ZUZCIYMTSA-N -2 3 363.838 3.039 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547562111 504149159 /nfs/dbraw/zinc/14/91/59/504149159.db2.gz DVJFOOLQBUCCKZ-OAHLLOKOSA-N -2 3 359.831 3.174 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547572518 504149942 /nfs/dbraw/zinc/14/99/42/504149942.db2.gz CLQZMPIKLAFJBR-YOEHRIQHSA-N -2 3 369.414 3.192 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(Cl)cc1F ZINC000547611140 504155663 /nfs/dbraw/zinc/15/56/63/504155663.db2.gz FOIWSFQHHWMIFB-KOLCDFICSA-N -2 3 365.854 3.345 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000547639696 504164332 /nfs/dbraw/zinc/16/43/32/504164332.db2.gz QVQRLVZPHCLOLL-MRVPVSSYSA-N -2 3 354.255 3.161 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OCC(C)C)c1 ZINC000538297976 504194789 /nfs/dbraw/zinc/19/47/89/504194789.db2.gz GUHMZHRILLBPDR-UHFFFAOYSA-N -2 3 351.424 3.236 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547896571 504259156 /nfs/dbraw/zinc/25/91/56/504259156.db2.gz IHUPLTMSOAJGAS-XJKSGUPXSA-N -2 3 371.842 3.316 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C1CCC1 ZINC000547910487 504261492 /nfs/dbraw/zinc/26/14/92/504261492.db2.gz NAFBVKGBXIXUMH-ZDUSSCGKSA-N -2 3 359.856 3.086 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c1 ZINC000544938242 504306100 /nfs/dbraw/zinc/30/61/00/504306100.db2.gz RBTMWXMRYRSEIK-UHFFFAOYSA-N -2 3 371.817 3.007 20 0 FGADHL Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cccc1C(=O)[O-] ZINC000542233874 504416136 /nfs/dbraw/zinc/41/61/36/504416136.db2.gz GHABJVVAISWPHH-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c(F)cc1F ZINC000548526356 504478043 /nfs/dbraw/zinc/47/80/43/504478043.db2.gz IRKLWGZYLCREJN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCCC1 ZINC000548555915 504482530 /nfs/dbraw/zinc/48/25/30/504482530.db2.gz ROYUQCOBMBJDBH-UHFFFAOYSA-N -2 3 367.854 3.417 20 0 FGADHL CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548591964 504487631 /nfs/dbraw/zinc/48/76/31/504487631.db2.gz MDDMTCARAQHHTD-ZDUSSCGKSA-N -2 3 355.843 3.128 20 0 FGADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(I)c([O-])c1 ZINC000545506352 504510613 /nfs/dbraw/zinc/51/06/13/504510613.db2.gz YXECYSGWNXXRFV-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-n3nc(C)cc3C)c2)c1 ZINC000539400487 504558029 /nfs/dbraw/zinc/55/80/29/504558029.db2.gz LGBGATIRHURINP-UHFFFAOYSA-N -2 3 373.434 3.004 20 0 FGADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-])C1CC1 ZINC000521274639 504699102 /nfs/dbraw/zinc/69/91/02/504699102.db2.gz RPWGFQVHHUSHSJ-RMLUDKJBSA-N -2 3 373.883 3.332 20 0 FGADHL O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000566066635 505070718 /nfs/dbraw/zinc/07/07/18/505070718.db2.gz CJDQSSAIJLKSSM-GZMMTYOYSA-N -2 3 359.856 3.086 20 0 FGADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000564767153 505514081 /nfs/dbraw/zinc/51/40/81/505514081.db2.gz PGCRDHBIJOZGHT-VIFPVBQESA-N -2 3 361.872 3.334 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000567896254 505570494 /nfs/dbraw/zinc/57/04/94/505570494.db2.gz VISMSEBTTWOMTC-QJPTWQEYSA-N -2 3 373.496 3.092 20 0 FGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000605495940 507217055 /nfs/dbraw/zinc/21/70/55/507217055.db2.gz HDKNJYVBYOMRRM-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL COCCN=c1[n-]nc(SCc2ccc([O-])c3nc(C)ccc23)s1 ZINC000508985697 514975726 /nfs/dbraw/zinc/97/57/26/514975726.db2.gz QSALNKWUJDAPDW-UHFFFAOYSA-N -2 3 362.480 3.451 20 0 FGADHL COc1ccc([O-])c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511279693 561863588 /nfs/dbraw/zinc/86/35/88/561863588.db2.gz WSMARGJZXGWEEJ-UHFFFAOYSA-N -2 3 362.183 3.063 20 0 FGADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000322079096 568413886 /nfs/dbraw/zinc/41/38/86/568413886.db2.gz BUXFPVBUYPGJFD-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737287085 598356294 /nfs/dbraw/zinc/35/62/94/598356294.db2.gz BPQQNPLEXWTYKA-IBGZPJMESA-N -2 3 371.441 3.175 20 0 FGADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737287085 598356295 /nfs/dbraw/zinc/35/62/95/598356295.db2.gz BPQQNPLEXWTYKA-IBGZPJMESA-N -2 3 371.441 3.175 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000738276912 600103886 /nfs/dbraw/zinc/10/38/86/600103886.db2.gz LOZRIAYDQQDJSH-UHFFFAOYSA-N -2 3 374.462 3.484 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(Cl)c1 ZINC000738633077 600229272 /nfs/dbraw/zinc/22/92/72/600229272.db2.gz XSNLRVGOFKVOJV-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829223100 600761756 /nfs/dbraw/zinc/76/17/56/600761756.db2.gz LHDSCFFAEDTKGE-CQSZACIVSA-N -2 3 351.424 3.058 20 0 FGADHL O=C([O-])Nc1cccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000833291988 601383470 /nfs/dbraw/zinc/38/34/70/601383470.db2.gz XQDOAAYDFGLURV-UHFFFAOYSA-N -2 3 359.292 3.092 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000833027076 601395125 /nfs/dbraw/zinc/39/51/25/601395125.db2.gz AVQIZYXTCWRMRV-ZETCQYMHSA-N -2 3 361.778 3.118 20 0 FGADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000829340793 601404443 /nfs/dbraw/zinc/40/44/43/601404443.db2.gz TXJKKSYWNXXNBN-NSHDSACASA-N -2 3 371.352 3.156 20 0 FGADHL CC(C)C1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000826727407 602004056 /nfs/dbraw/zinc/00/40/56/602004056.db2.gz PBDOLPVNUGHAJC-UHFFFAOYSA-N -2 3 361.410 3.156 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1Cl ZINC000739934129 602645688 /nfs/dbraw/zinc/64/56/88/602645688.db2.gz XMIFSJPOYLYJMA-UHFFFAOYSA-N -2 3 356.787 3.239 20 0 FGADHL CSc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000740024075 602654744 /nfs/dbraw/zinc/65/47/44/602654744.db2.gz WEDZHIUBGCSMQW-UHFFFAOYSA-N -2 3 356.400 3.438 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000833506685 605006210 /nfs/dbraw/zinc/00/62/10/605006210.db2.gz LQUYIAKQGUOMNZ-UHFFFAOYSA-N -2 3 363.435 3.292 20 0 FGADHL Cc1n[n-]c(=S)n1CCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080030152 700308739 /nfs/dbraw/zinc/30/87/39/700308739.db2.gz JRWXBGKVANRUKL-UHFFFAOYSA-N -2 3 362.842 3.191 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000629341201 716270315 /nfs/dbraw/zinc/27/03/15/716270315.db2.gz VVMJLXGDHFMWNV-AWEZNQCLSA-N -2 3 369.826 3.296 20 0 FGADHL CC(C)SCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000804610774 724533733 /nfs/dbraw/zinc/53/37/33/724533733.db2.gz QJZSKZFIEAXHBX-UHFFFAOYSA-N -2 3 372.295 3.112 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)oc1C(=O)[O-] ZINC000663420909 720511609 /nfs/dbraw/zinc/51/16/09/720511609.db2.gz XTHRKNHXWQQURK-CQSZACIVSA-N -2 3 369.826 3.369 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000761265293 723138502 /nfs/dbraw/zinc/13/85/02/723138502.db2.gz VAXOELDPKAUGFI-SECBINFHSA-N -2 3 364.250 3.326 20 0 FGADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761289935 723140357 /nfs/dbraw/zinc/14/03/57/723140357.db2.gz JWQRUPJLRQAMMM-XCBNKYQSSA-N -2 3 352.239 3.159 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000793319881 723424169 /nfs/dbraw/zinc/42/41/69/723424169.db2.gz AKAJOTPAVFARPO-UHFFFAOYSA-N -2 3 374.192 3.015 20 0 FGADHL CCc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)ccc1F ZINC000795369059 723585955 /nfs/dbraw/zinc/58/59/55/723585955.db2.gz WIJBDYXQOFVZEM-UHFFFAOYSA-N -2 3 355.362 3.335 20 0 FGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000567943196 505580644 /nfs/dbraw/zinc/58/06/44/505580644.db2.gz BVVXPNVUUAAVKL-UHFFFAOYSA-N -2 3 367.409 3.136 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)N([C@H](C)C(=O)[O-])C3CCC3)cc2)cc(=O)[n-]1 ZINC000577690678 505775409 /nfs/dbraw/zinc/77/54/09/505775409.db2.gz CQWKACGGOYFBHT-LLVKDONJSA-N -2 3 370.409 3.017 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2F)c(C)c1CC(=O)[O-] ZINC000181196996 496308749 /nfs/dbraw/zinc/30/87/49/496308749.db2.gz KMGTWQJYQKLJGW-UHFFFAOYSA-N -2 3 351.399 3.179 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185007388 496620685 /nfs/dbraw/zinc/62/06/85/496620685.db2.gz PQIRYXVXJOJDOO-LBPRGKRZSA-N -2 3 372.443 3.027 20 0 FGADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)s1 ZINC000580957050 505876481 /nfs/dbraw/zinc/87/64/81/505876481.db2.gz GYPGWSWEDZNTSW-UHFFFAOYSA-N -2 3 368.480 3.006 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])sc1Cl ZINC000231807640 497110387 /nfs/dbraw/zinc/11/03/87/497110387.db2.gz LZTIPXUSBRGCSN-ZJUUUORDSA-N -2 3 351.877 3.022 20 0 FGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n[n-]1 ZINC000190416092 497470813 /nfs/dbraw/zinc/47/08/13/497470813.db2.gz FVTIMQMKIFRSAT-UHFFFAOYSA-N -2 3 364.855 3.040 20 0 FGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2)n1 ZINC000194488960 497683130 /nfs/dbraw/zinc/68/31/30/497683130.db2.gz NLAJEXQVAKYBDN-UHFFFAOYSA-N -2 3 373.771 3.496 20 0 FGADHL C[C@H](C(=O)[O-])N(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CC1 ZINC000263544138 497798698 /nfs/dbraw/zinc/79/86/98/497798698.db2.gz FSNPIWCJPNKPGM-CYBMUJFWSA-N -2 3 355.390 3.049 20 0 FGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000263567464 497801181 /nfs/dbraw/zinc/80/11/81/497801181.db2.gz XNYGUJMOZZYLRK-UHFFFAOYSA-N -2 3 373.780 3.281 20 0 FGADHL O=C(N=c1nc(Sc2ccccc2)[n-]s1)[N-]O[C@@H]1CCCCO1 ZINC000290398196 498537574 /nfs/dbraw/zinc/53/75/74/498537574.db2.gz OEZRVTDIRTXXFP-LLVKDONJSA-N -2 3 352.441 3.269 20 0 FGADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000576014518 506055797 /nfs/dbraw/zinc/05/57/97/506055797.db2.gz BHZAWLOEIAHEGN-NSHDSACASA-N -2 3 359.856 3.086 20 0 FGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000581741753 506057827 /nfs/dbraw/zinc/05/78/27/506057827.db2.gz HNLQBPSZAHFVKH-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000313235286 498768168 /nfs/dbraw/zinc/76/81/68/498768168.db2.gz IJGREDLAEODWQG-CQSZACIVSA-N -2 3 351.399 3.019 20 0 FGADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000313937315 498772669 /nfs/dbraw/zinc/77/26/69/498772669.db2.gz WQRDUHWZZALKGY-SNVBAGLBSA-N -2 3 351.877 3.103 20 0 FGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000320647645 498809559 /nfs/dbraw/zinc/80/95/59/498809559.db2.gz JLRWRFUJTVHGPD-UHFFFAOYSA-N -2 3 373.780 3.282 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(Cl)c1 ZINC000323363780 498821583 /nfs/dbraw/zinc/82/15/83/498821583.db2.gz XUEDKCWGPKRNOR-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C(=O)[O-] ZINC000324073505 498824336 /nfs/dbraw/zinc/82/43/36/498824336.db2.gz GQDISXULDATCAB-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000327099344 498852629 /nfs/dbraw/zinc/85/26/29/498852629.db2.gz LDVYWEHPKBSRLS-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)n1 ZINC000375157412 499490527 /nfs/dbraw/zinc/49/05/27/499490527.db2.gz FNHFEFQXNNOOQU-UHFFFAOYSA-N -2 3 357.316 3.394 20 0 FGADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000391246062 499556999 /nfs/dbraw/zinc/55/69/99/499556999.db2.gz LFSPGMSYTZMERF-VIFPVBQESA-N -2 3 374.871 3.151 20 0 FGADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000421146599 499970877 /nfs/dbraw/zinc/97/08/77/499970877.db2.gz DYPZVZKMPUWIRG-AWEZNQCLSA-N -2 3 355.843 3.045 20 0 FGADHL Cc1oc(C)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1C(=O)[O-] ZINC000427239799 500372086 /nfs/dbraw/zinc/37/20/86/500372086.db2.gz UALMJSRDABVPDQ-LLVKDONJSA-N -2 3 365.398 3.089 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)n[n-]2)o1 ZINC000432007254 500454509 /nfs/dbraw/zinc/45/45/09/500454509.db2.gz MEPHFUNKPKHTDR-LLVKDONJSA-N -2 3 353.378 3.494 20 0 FGADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2ccc(Cl)cc2F)c1 ZINC000436969823 500582747 /nfs/dbraw/zinc/58/27/47/500582747.db2.gz ARDGBBBPCLGCKQ-UHFFFAOYSA-N -2 3 373.789 3.016 20 0 FGADHL COc1ccc(OCCS(=O)(=O)[N-]c2cc(Cl)cc(C)c2[O-])cc1 ZINC000438767253 500818072 /nfs/dbraw/zinc/81/80/72/500818072.db2.gz VLOJPLMFKWLEJU-UHFFFAOYSA-N -2 3 371.842 3.183 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000445554433 501001068 /nfs/dbraw/zinc/00/10/68/501001068.db2.gz QQXCSKWLNZDLKS-UKRRQHHQSA-N -2 3 365.476 3.136 20 0 FGADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1[O-] ZINC000436527430 501148451 /nfs/dbraw/zinc/14/84/51/501148451.db2.gz LDKPQCJCZFRGEK-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL [O-]c1ccc(CN=c2nc(C(F)(F)F)[n-]s2)cc1Br ZINC000436648984 501179255 /nfs/dbraw/zinc/17/92/55/501179255.db2.gz PUCHAPWCHDNMGE-UHFFFAOYSA-N -2 3 354.151 3.059 20 0 FGADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc2c(cc1[O-])CCCC2 ZINC000436688505 501188663 /nfs/dbraw/zinc/18/86/63/501188663.db2.gz LKVULVNIJMGSPY-UHFFFAOYSA-N -2 3 350.378 3.014 20 0 FGADHL O=C(N=c1nc(-c2ccc([O-])c(Cl)c2)[nH][n-]1)c1nccc2ccccc21 ZINC000436914993 501232065 /nfs/dbraw/zinc/23/20/65/501232065.db2.gz MGIQMWQSGGNSFG-UHFFFAOYSA-N -2 3 365.780 3.053 20 0 FGADHL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)cc1C ZINC000478682270 502056436 /nfs/dbraw/zinc/05/64/36/502056436.db2.gz UHJRWVKJYFZSCO-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CCN=c1[n-]c(C(=O)Nc2cc(C)cc(Br)c2[O-])cs1 ZINC000483168392 502300173 /nfs/dbraw/zinc/30/01/73/502300173.db2.gz TYLWCPLMOSVHCH-UHFFFAOYSA-N -2 3 356.245 3.026 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000466285870 502525497 /nfs/dbraw/zinc/52/54/97/502525497.db2.gz FUUMBQMTVRYLMH-UHFFFAOYSA-N -2 3 365.476 3.400 20 0 FGADHL CCCCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000470236317 502712266 /nfs/dbraw/zinc/71/22/66/502712266.db2.gz HQNRMHNDLAIHQK-VQHVLOKHSA-N -2 3 372.421 3.476 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Br ZINC000504305171 503552561 /nfs/dbraw/zinc/55/25/61/503552561.db2.gz SMLGKWAWXKWXCU-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1nc(C=Cc2c(F)cccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504710648 503607347 /nfs/dbraw/zinc/60/73/47/503607347.db2.gz DLWVDJHYGKSHRX-AATRIKPKSA-N -2 3 367.174 3.190 20 0 FGADHL Cc1ccc(-c2nc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)co2)cc1 ZINC000504720511 503608605 /nfs/dbraw/zinc/60/86/05/503608605.db2.gz IZANYNBIJDDIOU-BQYQJAHWSA-N -2 3 351.362 3.252 20 0 FGADHL Cc1nc(C=Cc2cn(C)nc2C2CCCCC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728344 503609452 /nfs/dbraw/zinc/60/94/52/503609452.db2.gz BTDBIQCQBCDIMG-CMDGGOBGSA-N -2 3 356.426 3.069 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000537197459 503837857 /nfs/dbraw/zinc/83/78/57/503837857.db2.gz HHEMYBHBNIRKFH-UHFFFAOYSA-N -3 3 365.407 3.023 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000546959949 503939230 /nfs/dbraw/zinc/93/92/30/503939230.db2.gz KDEKHEIAXHIBBE-HIFRSBDPSA-N -2 3 365.476 3.136 20 0 FGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000530419977 503959111 /nfs/dbraw/zinc/95/91/11/503959111.db2.gz JMRUKPHVIVJGTM-OAHLLOKOSA-N -2 3 367.854 3.415 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c(F)c1 ZINC000538094158 504131338 /nfs/dbraw/zinc/13/13/38/504131338.db2.gz RQDQXKLPTJYDIK-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1)C(=O)[O-] ZINC000547611200 504155471 /nfs/dbraw/zinc/15/54/71/504155471.db2.gz IEIKKYHPVCCGQV-NSHDSACASA-N -2 3 369.389 3.170 20 0 FGADHL [O-]c1cccnc1CSc1nnc(SCc2ncccc2[O-])s1 ZINC000519620483 504276372 /nfs/dbraw/zinc/27/63/72/504276372.db2.gz BHMNHTURIUNPNR-UHFFFAOYSA-N -2 3 364.477 3.324 20 0 FGADHL COc1cc(=NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])[n-]n1C ZINC000548517679 504475332 /nfs/dbraw/zinc/47/53/32/504475332.db2.gz NGBLUTYQJJIPPM-UHFFFAOYSA-N -2 3 357.797 3.129 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548619388 504498672 /nfs/dbraw/zinc/49/86/72/504498672.db2.gz ZCNRITSAGPXJLW-QMMMGPOBSA-N -2 3 371.352 3.012 20 0 FGADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C1CC1 ZINC000539400027 504557338 /nfs/dbraw/zinc/55/73/38/504557338.db2.gz RIOUWYNCFOYEMT-LLVKDONJSA-N -2 3 365.455 3.247 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1CC ZINC000535990044 504600724 /nfs/dbraw/zinc/60/07/24/504600724.db2.gz PWWNHIDMMYIEBM-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000550918734 505124951 /nfs/dbraw/zinc/12/49/51/505124951.db2.gz YZCSIEQNCXYZFX-LLVKDONJSA-N -2 3 365.354 3.028 20 0 FGADHL COc1cc(Br)c(/C=C/c2cc(C(=O)[O-])ccn2)cc1[O-] ZINC000551350128 505206862 /nfs/dbraw/zinc/20/68/62/505206862.db2.gz YGKQENSUTURFLD-NSCUHMNNSA-N -2 3 350.168 3.427 20 0 FGADHL CCOc1ccccc1N=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000566599467 505217264 /nfs/dbraw/zinc/21/72/64/505217264.db2.gz QYXHNWDTTIXZOL-UHFFFAOYSA-N -2 3 360.464 3.495 20 0 FGADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000551597241 505264564 /nfs/dbraw/zinc/26/45/64/505264564.db2.gz OIWYLEMUXFUKSM-OAHLLOKOSA-N -2 3 367.389 3.052 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1cc(F)ccc1F ZINC000567797157 505563955 /nfs/dbraw/zinc/56/39/55/505563955.db2.gz NJSHNSUBSYENIZ-ZDUSSCGKSA-N -2 3 373.377 3.302 20 0 FGADHL O=C(N=c1[n-]nc(Cc2ccccc2)s1)c1cc(-c2cccs2)[n-]n1 ZINC000612182403 506475915 /nfs/dbraw/zinc/47/59/15/506475915.db2.gz SPBSFUDLJWSWFG-UHFFFAOYSA-N -2 3 367.459 3.255 20 0 FGADHL CCOC(=O)[C@@H](C)Cc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000594659099 507224608 /nfs/dbraw/zinc/22/46/08/507224608.db2.gz BFDFGLHYKQSHKE-LBPRGKRZSA-N -2 3 352.390 3.037 20 0 FGADHL COC(=O)c1ccc(C(=O)N=c2[n-]nc(-c3cc(F)ccc3C)s2)[n-]1 ZINC000509898142 561817699 /nfs/dbraw/zinc/81/76/99/561817699.db2.gz YTLPCSNKKFJVIN-UHFFFAOYSA-N -2 3 360.370 3.020 20 0 FGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000739778897 600632199 /nfs/dbraw/zinc/63/21/99/600632199.db2.gz ZLLXUPZRPMXEHS-UHFFFAOYSA-N -2 3 351.771 3.207 20 0 FGADHL Cc1c(C(=O)[O-])sc2[n-]c(-c3ccc(Br)o3)nc(=O)c12 ZINC000832852779 600845989 /nfs/dbraw/zinc/84/59/89/600845989.db2.gz KAHKZTWNWIVYKC-UHFFFAOYSA-N -2 3 355.169 3.426 20 0 FGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000737231532 600896863 /nfs/dbraw/zinc/89/68/63/600896863.db2.gz NWGDVAFLGUSSHY-UHFFFAOYSA-N -2 3 367.448 3.144 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)ccc1N(C)C ZINC000832898492 600981390 /nfs/dbraw/zinc/98/13/90/600981390.db2.gz MRYCMUPGOQWSIZ-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000828804041 601268136 /nfs/dbraw/zinc/26/81/36/601268136.db2.gz FRAFBBVDOIVEIG-UHFFFAOYSA-N -2 3 354.255 3.305 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1F ZINC000733122973 601331338 /nfs/dbraw/zinc/33/13/38/601331338.db2.gz KZYYAAJMNHKDTR-UHFFFAOYSA-N -2 3 365.382 3.114 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1C ZINC000008108235 601359260 /nfs/dbraw/zinc/35/92/60/601359260.db2.gz KOOWBNSKKDTCNI-UHFFFAOYSA-N -2 3 374.462 3.403 20 0 FGADHL O=C([O-])[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000738536054 601577580 /nfs/dbraw/zinc/57/75/80/601577580.db2.gz UFHXRGWLLYKJTH-LLVKDONJSA-N -2 3 359.407 3.096 20 0 FGADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000828012529 602053496 /nfs/dbraw/zinc/05/34/96/602053496.db2.gz BKCMTRHLLMGYDQ-OAQYLSRUSA-N -2 3 353.418 3.114 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cc1 ZINC000739543734 602646019 /nfs/dbraw/zinc/64/60/19/602646019.db2.gz ZENUCTANSMGQFX-UHFFFAOYSA-N -2 3 360.435 3.480 20 0 FGADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000740703283 602653322 /nfs/dbraw/zinc/65/33/22/602653322.db2.gz JYWGHWWLTXXOED-UHFFFAOYSA-N -2 3 361.354 3.265 20 0 FGADHL C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[C@H]1NC(=O)[O-] ZINC000826035620 604224210 /nfs/dbraw/zinc/22/42/10/604224210.db2.gz ZYWXLVISQPUGJK-SUMWQHHRSA-N -2 3 370.405 3.303 20 0 FGADHL COc1cccc(-c2nc(C(=O)[N-]c3cc(NC(=O)[O-])ccc3F)no2)c1 ZINC000829531072 604456025 /nfs/dbraw/zinc/45/60/25/604456025.db2.gz FTHKPLUMKOIFIN-UHFFFAOYSA-N -2 3 372.312 3.227 20 0 FGADHL COc1cc(OC)cc([C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C(=O)[O-])c1 ZINC000832074459 604560227 /nfs/dbraw/zinc/56/02/27/604560227.db2.gz NWUKRBOMJKWWJV-LBPRGKRZSA-N -2 3 374.176 3.321 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])c2)n1 ZINC000827556264 605642222 /nfs/dbraw/zinc/64/22/22/605642222.db2.gz GIBQREWZRDSZAY-HNNXBMFYSA-N -2 3 372.425 3.032 20 0 FGADHL CCN(C(=O)c1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385279 608582900 /nfs/dbraw/zinc/58/29/00/608582900.db2.gz BEQLHPHTXODOAU-NSHDSACASA-N -2 3 371.828 3.449 20 0 FGADHL CCN(C(=O)c1cccc(Cl)c1[O-])[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385279 608582903 /nfs/dbraw/zinc/58/29/03/608582903.db2.gz BEQLHPHTXODOAU-NSHDSACASA-N -2 3 371.828 3.449 20 0 FGADHL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000131415591 700814806 /nfs/dbraw/zinc/81/48/06/700814806.db2.gz PXTVNNJPABUTHS-UHFFFAOYSA-N -2 3 366.233 3.465 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c(F)cc1F ZINC000184926700 712678985 /nfs/dbraw/zinc/67/89/85/712678985.db2.gz RYPSEHODORIPJP-MRXNPFEDSA-N -2 3 367.373 3.093 20 0 FGADHL CCC[C@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000681571708 722211802 /nfs/dbraw/zinc/21/18/02/722211802.db2.gz RLHLTJSDBQGIMS-SNVBAGLBSA-N -2 3 359.831 3.174 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000759097931 722999473 /nfs/dbraw/zinc/99/94/73/722999473.db2.gz SCHXPDZZCGRFFW-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC(C)=CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000790248414 723116906 /nfs/dbraw/zinc/11/69/06/723116906.db2.gz VIDQZXGPBKZSOH-UHFFFAOYSA-N -2 3 352.239 3.326 20 0 FGADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000816732080 727192409 /nfs/dbraw/zinc/19/24/09/727192409.db2.gz RJYISOISGAKUDR-UHFFFAOYSA-N -2 3 371.205 3.109 20 0 FGADHL Cc1nc([C@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000909504717 744371180 /nfs/dbraw/zinc/37/11/80/744371180.db2.gz DQWYCWYUFOJDGG-ZETCQYMHSA-N -2 3 374.340 3.365 20 0 FGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000910242833 744433395 /nfs/dbraw/zinc/43/33/95/744433395.db2.gz XNHBTYBLSHPJFS-MCIONIFRSA-N -2 3 357.328 3.126 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C ZINC000032590330 493998155 /nfs/dbraw/zinc/99/81/55/493998155.db2.gz JLPIFDBNGMAGIV-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000032596930 493999165 /nfs/dbraw/zinc/99/91/65/493999165.db2.gz CZVPLIXXBRXYSA-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Br)c(F)c1 ZINC000063009459 494026554 /nfs/dbraw/zinc/02/65/54/494026554.db2.gz VELQRMONEWKWGQ-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000067946042 494704979 /nfs/dbraw/zinc/70/49/79/494704979.db2.gz VGAJEJNWAOEQDX-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=S(=O)(Cc1ccccc1)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000135575777 495313848 /nfs/dbraw/zinc/31/38/48/495313848.db2.gz PEMXQGPGAYHLIY-UHFFFAOYSA-N -2 3 360.464 3.039 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Br)s1 ZINC000161287648 496144365 /nfs/dbraw/zinc/14/43/65/496144365.db2.gz KQAWLMIBHWYUHN-UHFFFAOYSA-N -2 3 352.206 3.156 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)ccc1C(=O)[O-] ZINC000572233152 505921079 /nfs/dbraw/zinc/92/10/79/505921079.db2.gz SUEOGGFWWWWEGQ-UHFFFAOYSA-N -2 3 373.430 3.403 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c1 ZINC000572553621 505995916 /nfs/dbraw/zinc/99/59/16/505995916.db2.gz WIYVZYWBCZVRIL-UHFFFAOYSA-N -2 3 361.444 3.121 20 0 FGADHL COCCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC000575939022 506037085 /nfs/dbraw/zinc/03/70/85/506037085.db2.gz OLLXYVSNPUNIAN-UHFFFAOYSA-N -2 3 371.842 3.180 20 0 FGADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)cc1F ZINC000569903963 506042933 /nfs/dbraw/zinc/04/29/33/506042933.db2.gz OGSHIIDMBRDFGM-SECBINFHSA-N -2 3 351.346 3.009 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000321236655 498812733 /nfs/dbraw/zinc/81/27/33/498812733.db2.gz WHVLXLNZNRMWGH-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000324297002 498826889 /nfs/dbraw/zinc/82/68/89/498826889.db2.gz OKJITTAMMRXCHG-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000326688389 498846803 /nfs/dbraw/zinc/84/68/03/498846803.db2.gz QASPUHNHOGONNH-UHFFFAOYSA-N -2 3 363.435 3.492 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)ccc1OC(C)C ZINC000327814579 498864021 /nfs/dbraw/zinc/86/40/21/498864021.db2.gz XNPNIOBLOAOZKV-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389469179 499552750 /nfs/dbraw/zinc/55/27/50/499552750.db2.gz MLODJKDZEUGPOJ-UWVGGRQHSA-N -2 3 351.827 3.037 20 0 FGADHL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000391284199 499556983 /nfs/dbraw/zinc/55/69/83/499556983.db2.gz QIVHPOIXEQJNCI-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000392204246 499558218 /nfs/dbraw/zinc/55/82/18/499558218.db2.gz GOPAWAQYWYCDQY-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000392908880 499559568 /nfs/dbraw/zinc/55/95/68/499559568.db2.gz VXPXZXRDFCIMHV-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000421161378 499977586 /nfs/dbraw/zinc/97/75/86/499977586.db2.gz XBABJUJTAMYPMI-LLVKDONJSA-N -2 3 355.378 3.214 20 0 FGADHL COc1ccc2c(c1)c(C(=O)N=c1ccc([O-])n[n-]1)c(C)n2C1CCCC1 ZINC000429012922 499982415 /nfs/dbraw/zinc/98/24/15/499982415.db2.gz VYWRTEREJTYNBP-UHFFFAOYSA-N -2 3 366.421 3.243 20 0 FGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC000430978076 500316699 /nfs/dbraw/zinc/31/66/99/500316699.db2.gz ZKLOGMCERLKSAM-UHFFFAOYSA-N -2 3 372.830 3.266 20 0 FGADHL O=S(=O)([N-]C1CC1)c1cc(NCc2cccc([O-])c2Cl)ccc1F ZINC000419760241 500393986 /nfs/dbraw/zinc/39/39/86/500393986.db2.gz ZAKKRWDHAMKKIS-UHFFFAOYSA-N -2 3 370.833 3.238 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000432059740 500461667 /nfs/dbraw/zinc/46/16/67/500461667.db2.gz CKVTWICTGXKKGF-UHFFFAOYSA-N -2 3 367.810 3.350 20 0 FGADHL CCOc1cc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000424413052 500500240 /nfs/dbraw/zinc/50/02/40/500500240.db2.gz OCJRHNMMISIJEO-IINYFYTJSA-N -2 3 372.259 3.239 20 0 FGADHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000437002318 500591171 /nfs/dbraw/zinc/59/11/71/500591171.db2.gz QBMZJZSKMNZZHS-SFHVURJKSA-N -2 3 365.389 3.433 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3cc(-c4cccc(F)c4)o[n-]3)[n-]n2)o1 ZINC000448545279 500770493 /nfs/dbraw/zinc/77/04/93/500770493.db2.gz YNIUBAAFOBIGGG-UHFFFAOYSA-N -2 3 352.325 3.446 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(OC)cc1C ZINC000435717952 501016537 /nfs/dbraw/zinc/01/65/37/501016537.db2.gz AHEAAHMTPDHFOL-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(C(F)(F)F)cc1F ZINC000436198558 501088381 /nfs/dbraw/zinc/08/83/81/501088381.db2.gz NXAOCCSRFJNISS-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL COc1cc(-c2nc3cc(OC)c(OC)cc3c(=O)[n-]2)cc(Cl)c1[O-] ZINC000436595729 501165817 /nfs/dbraw/zinc/16/58/17/501165817.db2.gz MRORPIKVGQQHMT-UHFFFAOYSA-N -2 3 362.769 3.387 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000436661659 501181581 /nfs/dbraw/zinc/18/15/81/501181581.db2.gz DPZWEBZTEMDBBU-UHFFFAOYSA-N -2 3 363.435 3.213 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000436663964 501182109 /nfs/dbraw/zinc/18/21/09/501182109.db2.gz KEBRGNCXFOFIGZ-UHFFFAOYSA-N -2 3 357.387 3.133 20 0 FGADHL CC(C)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000436808722 501214408 /nfs/dbraw/zinc/21/44/08/501214408.db2.gz QIIIDNXRJWSBEM-UHFFFAOYSA-N -2 3 366.414 3.279 20 0 FGADHL O=C(N=c1nc(-c2ccc([O-])c(Cl)c2)[nH][n-]1)c1ccc2ccccc2n1 ZINC000436916858 501232282 /nfs/dbraw/zinc/23/22/82/501232282.db2.gz VTHUVWAPASLEAI-UHFFFAOYSA-N -2 3 365.780 3.053 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccc(F)cc1F ZINC000582484933 506249501 /nfs/dbraw/zinc/24/95/01/506249501.db2.gz UWKQHBUUCNGFSW-ZDUSSCGKSA-N -2 3 373.377 3.302 20 0 FGADHL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2cc(-c3ccco3)[n-]n2)s1 ZINC000473402449 502585423 /nfs/dbraw/zinc/58/54/23/502585423.db2.gz BECIHILXVMVTAG-UHFFFAOYSA-N -2 3 369.381 3.310 20 0 FGADHL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2cc(-c3ccco3)n[n-]2)s1 ZINC000473402449 502585430 /nfs/dbraw/zinc/58/54/30/502585430.db2.gz BECIHILXVMVTAG-UHFFFAOYSA-N -2 3 369.381 3.310 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000513819397 503030105 /nfs/dbraw/zinc/03/01/05/503030105.db2.gz WDIQXKVLANWKDA-UHFFFAOYSA-N -2 3 358.375 3.149 20 0 FGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc(Cl)c2O1 ZINC000504299353 503551431 /nfs/dbraw/zinc/55/14/31/503551431.db2.gz NMLYNECKHOVXRK-MRVPVSSYSA-N -2 3 357.790 3.309 20 0 FGADHL COc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1OC(C)C ZINC000504731573 503609674 /nfs/dbraw/zinc/60/96/74/503609674.db2.gz PNQFOSXOLYIWDG-CMDGGOBGSA-N -2 3 358.394 3.084 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1Cl ZINC000530487588 503983122 /nfs/dbraw/zinc/98/31/22/503983122.db2.gz GOHXUMVFNUUUJK-MFKMUULPSA-N -2 3 373.883 3.450 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1csc(-c2ccccc2)n1 ZINC000534318977 504108627 /nfs/dbraw/zinc/10/86/27/504108627.db2.gz XSDQMHNXULVFKZ-UHFFFAOYSA-N -2 3 350.396 3.456 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)s1 ZINC000547546477 504145731 /nfs/dbraw/zinc/14/57/31/504145731.db2.gz UXEFONNATLMSHD-LBPRGKRZSA-N -2 3 359.494 3.211 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000547881606 504257426 /nfs/dbraw/zinc/25/74/26/504257426.db2.gz JLQZWMGNFNOMFE-UHFFFAOYSA-N -2 3 374.393 3.424 20 0 FGADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548220339 504370570 /nfs/dbraw/zinc/37/05/70/504370570.db2.gz AUYHFZYIRLMJEI-GFCCVEGCSA-N -2 3 366.266 3.305 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000548525948 504478643 /nfs/dbraw/zinc/47/86/43/504478643.db2.gz MSUKVSNSIIUJOP-CYBMUJFWSA-N -2 3 369.395 3.046 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548557935 504482243 /nfs/dbraw/zinc/48/22/43/504482243.db2.gz VOQYKEOEJXEKEH-JTQLQIEISA-N -2 3 353.362 3.017 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C(=O)[O-] ZINC000535599422 504483091 /nfs/dbraw/zinc/48/30/91/504483091.db2.gz VBNGRQKPGBYMOC-UHFFFAOYSA-N -2 3 355.362 3.389 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(F)c2)s1 ZINC000548570821 504484194 /nfs/dbraw/zinc/48/41/94/504484194.db2.gz ARHSBYZSMUNZLR-CQSZACIVSA-N -2 3 371.455 3.289 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000548590609 504487580 /nfs/dbraw/zinc/48/75/80/504487580.db2.gz QFUJENBOACAPRH-ZDUSSCGKSA-N -2 3 357.403 3.048 20 0 FGADHL COc1ccc(CN=c2[n-]nc(CCC(C)C)o2)c(Br)c1[O-] ZINC000545500136 504506975 /nfs/dbraw/zinc/50/69/75/504506975.db2.gz MRYKKPVTHLGSOQ-UHFFFAOYSA-N -2 3 370.247 3.169 20 0 FGADHL CCCCOc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000539400715 504557703 /nfs/dbraw/zinc/55/77/03/504557703.db2.gz ROPTYWGBOBVAPZ-UHFFFAOYSA-N -2 3 351.424 3.381 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000532279250 504596956 /nfs/dbraw/zinc/59/69/56/504596956.db2.gz GEPQZQMUBVDTHF-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000532318533 504609434 /nfs/dbraw/zinc/60/94/34/504609434.db2.gz XIVXQCLCGWCNHO-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL O=C(CCCC(=O)Nc1ccc(F)cc1[O-])Nc1ccc(F)cc1[O-] ZINC000532622219 504714235 /nfs/dbraw/zinc/71/42/35/504714235.db2.gz OLQTWGABKKNQAU-UHFFFAOYSA-N -2 3 350.321 3.124 20 0 FGADHL CSc1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000558669744 505457473 /nfs/dbraw/zinc/45/74/73/505457473.db2.gz MJRLAOPFOBDTMT-UHFFFAOYSA-N -2 3 355.412 3.355 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])sc1Cl ZINC000583306879 506707876 /nfs/dbraw/zinc/70/78/76/506707876.db2.gz JVPDIIOVERTQHK-QWRGUYRKSA-N -2 3 365.904 3.412 20 0 FGADHL C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000583934809 507058815 /nfs/dbraw/zinc/05/88/15/507058815.db2.gz XBAXSZWKUVLTSI-KBXCAEBGSA-N -2 3 353.418 3.166 20 0 FGADHL C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000583934812 507059267 /nfs/dbraw/zinc/05/92/67/507059267.db2.gz XBAXSZWKUVLTSI-RDTXWAMCSA-N -2 3 353.418 3.166 20 0 FGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000610194152 507133804 /nfs/dbraw/zinc/13/38/04/507133804.db2.gz PJTAELPUKZVJCE-UHFFFAOYSA-N -2 3 351.449 3.439 20 0 FGADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000738537894 600036500 /nfs/dbraw/zinc/03/65/00/600036500.db2.gz NIWSNZYXXUKBFW-QGZVFWFLSA-N -2 3 353.418 3.114 20 0 FGADHL CCc1cc2c(CN3Cc4ccc(C(=O)[O-])cc4C3)cc(=O)oc2cc1[O-] ZINC000737252740 600088018 /nfs/dbraw/zinc/08/80/18/600088018.db2.gz SKCIAAJBTDDERY-UHFFFAOYSA-N -2 3 365.385 3.275 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000013029473 600103299 /nfs/dbraw/zinc/10/32/99/600103299.db2.gz SZMOVCNLTYMNEN-UHFFFAOYSA-N -2 3 360.435 3.094 20 0 FGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000739666402 600169338 /nfs/dbraw/zinc/16/93/38/600169338.db2.gz PHPYANNIAYOKJE-UHFFFAOYSA-N -2 3 368.480 3.124 20 0 FGADHL CC(C)c1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(C(=O)[O-])c1 ZINC000736515890 600485165 /nfs/dbraw/zinc/48/51/65/600485165.db2.gz XMIKBTQYYNTJLX-UHFFFAOYSA-N -2 3 351.362 3.409 20 0 FGADHL O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccccc1[O-] ZINC000739793337 600607587 /nfs/dbraw/zinc/60/75/87/600607587.db2.gz FWSNODMGATWRSA-UHFFFAOYSA-N -2 3 368.216 3.469 20 0 FGADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000739777278 600633528 /nfs/dbraw/zinc/63/35/28/600633528.db2.gz MMUFUWQOBWRZLJ-UHFFFAOYSA-N -2 3 361.354 3.207 20 0 FGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000737266304 600635619 /nfs/dbraw/zinc/63/56/19/600635619.db2.gz AFDRIULRIDMBJG-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL O=C([O-])CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2o1 ZINC000823387013 607458730 /nfs/dbraw/zinc/45/87/30/607458730.db2.gz BAGOXWONZBDEOA-GHXNOFRVSA-N -2 3 365.324 3.162 20 0 FGADHL O=C([O-])CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2o1 ZINC000823387013 607458732 /nfs/dbraw/zinc/45/87/32/607458732.db2.gz BAGOXWONZBDEOA-GHXNOFRVSA-N -2 3 365.324 3.162 20 0 FGADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000828820908 600793354 /nfs/dbraw/zinc/79/33/54/600793354.db2.gz WNKMPVSYIBQXHM-UHFFFAOYSA-N -2 3 351.424 3.014 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833027732 601214893 /nfs/dbraw/zinc/21/48/93/601214893.db2.gz IZRJIUQDTKSVQX-NSHDSACASA-N -2 3 359.403 3.479 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]CCc2csc3ccccc23)cc1C(=O)[O-] ZINC000833027911 601217135 /nfs/dbraw/zinc/21/71/35/601217135.db2.gz ZXUYZDFMXAJBHB-UHFFFAOYSA-N -2 3 365.432 3.022 20 0 FGADHL Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832965833 601238497 /nfs/dbraw/zinc/23/84/97/601238497.db2.gz GEQGQNFMWCTYNK-LLVKDONJSA-N -2 3 369.389 3.053 20 0 FGADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000833345156 601841727 /nfs/dbraw/zinc/84/17/27/601841727.db2.gz RJTSHSMBGIOIFJ-UHFFFAOYSA-N -2 3 365.169 3.027 20 0 FGADHL C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000739164839 602869164 /nfs/dbraw/zinc/86/91/64/602869164.db2.gz KTUDIXJOZVOBQB-KDOFPFPSSA-N -2 3 368.433 3.101 20 0 FGADHL C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[C@H]1NC(=O)[O-] ZINC000826035617 604224127 /nfs/dbraw/zinc/22/41/27/604224127.db2.gz ZYWXLVISQPUGJK-CXAGYDPISA-N -2 3 370.405 3.303 20 0 FGADHL O=C([O-])Nc1ccccc1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000834273380 606047497 /nfs/dbraw/zinc/04/74/97/606047497.db2.gz MCKNMOJUWGKNNO-UHFFFAOYSA-N -2 3 365.183 3.426 20 0 FGADHL O=C([O-])Nc1ccccc1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000834273368 606098377 /nfs/dbraw/zinc/09/83/77/606098377.db2.gz LWKKZTDREIYUNA-UHFFFAOYSA-N -2 3 365.183 3.426 20 0 FGADHL CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379906 609268690 /nfs/dbraw/zinc/26/86/90/609268690.db2.gz MAEGNTUDMVOBAQ-JTQLQIEISA-N -2 3 373.363 3.074 20 0 FGADHL CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379906 609268691 /nfs/dbraw/zinc/26/86/91/609268691.db2.gz MAEGNTUDMVOBAQ-JTQLQIEISA-N -2 3 373.363 3.074 20 0 FGADHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(OCC(F)F)cc1 ZINC000181741734 705807608 /nfs/dbraw/zinc/80/76/08/705807608.db2.gz HGUVZYQUVRTSEL-UHFFFAOYSA-N -2 3 363.769 3.490 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2ccsc2)c1 ZINC000184909284 712678486 /nfs/dbraw/zinc/67/84/86/712678486.db2.gz HLLUEVKMIWVAET-UHFFFAOYSA-N -2 3 366.247 3.232 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C(C)C)cc1C(=O)[O-] ZINC000656719862 719449561 /nfs/dbraw/zinc/44/95/61/719449561.db2.gz IJBNQKDDBLKYKG-OAHLLOKOSA-N -2 3 355.387 3.101 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000663418394 720511256 /nfs/dbraw/zinc/51/12/56/720511256.db2.gz FRSAWQRFZGEYDP-AWEZNQCLSA-N -2 3 351.424 3.004 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)c([O-])c1 ZINC000740811823 722538045 /nfs/dbraw/zinc/53/80/45/722538045.db2.gz CPRZPPQRHYWFLU-ZHACJKMWSA-N -2 3 361.419 3.290 20 0 FGADHL Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000761309471 723143138 /nfs/dbraw/zinc/14/31/38/723143138.db2.gz QDPUNWBCPKQBIX-NSHDSACASA-N -2 3 369.389 3.053 20 0 FGADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1F ZINC000769891206 723699187 /nfs/dbraw/zinc/69/91/87/723699187.db2.gz SJQAWHMGETWIIY-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC1CCCC1 ZINC000776554130 724158264 /nfs/dbraw/zinc/15/82/64/724158264.db2.gz AHIGKWKCCZNUNJ-LLVKDONJSA-N -2 3 363.838 3.039 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2(F)CCC2)c(Cl)cc1Cl ZINC000806568617 725133950 /nfs/dbraw/zinc/13/39/50/725133950.db2.gz ZWZDWIRUZIJLPJ-UHFFFAOYSA-N -2 3 370.229 3.252 20 0 FGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]2CCC[C@H]21 ZINC000910242835 744433265 /nfs/dbraw/zinc/43/32/65/744433265.db2.gz XNHBTYBLSHPJFS-MJBXVCDLSA-N -2 3 357.328 3.126 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000573892040 505644944 /nfs/dbraw/zinc/64/49/44/505644944.db2.gz YRDCZXFDFAVXMM-RKDXNWHRSA-N -2 3 373.418 3.325 20 0 FGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000013314001 494284548 /nfs/dbraw/zinc/28/45/48/494284548.db2.gz CPNJLUDLQPBNQZ-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)c1OCC(=O)[O-] ZINC000110282007 494964686 /nfs/dbraw/zinc/96/46/86/494964686.db2.gz TUSINKNEXPLTGC-UHFFFAOYSA-N -2 3 367.398 3.015 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cccs1 ZINC000129773235 495293771 /nfs/dbraw/zinc/29/37/71/495293771.db2.gz DRXOMVNAIGOXLK-LLVKDONJSA-N -2 3 366.247 3.159 20 0 FGADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc([O-])ccc1C(F)(F)F ZINC000571660143 505785000 /nfs/dbraw/zinc/78/50/00/505785000.db2.gz CACHQKBLIIQASH-UHFFFAOYSA-N -2 3 365.267 3.007 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000184659600 496483388 /nfs/dbraw/zinc/48/33/88/496483388.db2.gz OKCCMTMQPFTUJN-GFCCVEGCSA-N -2 3 351.399 3.198 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)o1 ZINC000569227078 505883757 /nfs/dbraw/zinc/88/37/57/505883757.db2.gz RIBMZALSJDIDAI-OAHLLOKOSA-N -2 3 351.424 3.206 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)sc1Cl ZINC000231807946 497109881 /nfs/dbraw/zinc/10/98/81/497109881.db2.gz QYEYGRHGDCEROI-SECBINFHSA-N -2 3 353.893 3.268 20 0 FGADHL CSc1nc(C)c(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])c(=O)[n-]1 ZINC000274719632 497150809 /nfs/dbraw/zinc/15/08/09/497150809.db2.gz SCGMJSFZTQXURB-UHFFFAOYSA-N -2 3 371.821 3.282 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000237342049 497222796 /nfs/dbraw/zinc/22/27/96/497222796.db2.gz UGLXSYMZESRKQY-SNVBAGLBSA-N -2 3 363.366 3.310 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)C1CCC1 ZINC000578234647 505894902 /nfs/dbraw/zinc/89/49/02/505894902.db2.gz KLMFQRFBKZOSFU-LLVKDONJSA-N -2 3 361.485 3.092 20 0 FGADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289108828 498018551 /nfs/dbraw/zinc/01/85/51/498018551.db2.gz PHCREGQMGXILME-JTQLQIEISA-N -2 3 363.723 3.471 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000579003480 506072320 /nfs/dbraw/zinc/07/23/20/506072320.db2.gz IFUQCPZEKVAUDP-NSHDSACASA-N -2 3 367.423 3.113 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000314233576 498774216 /nfs/dbraw/zinc/77/42/16/498774216.db2.gz ODRCEJQZKAKDHE-MADCSZMMSA-N -2 3 368.282 3.388 20 0 FGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000320465697 498807467 /nfs/dbraw/zinc/80/74/67/498807467.db2.gz YNKYGNWIRCOUGB-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1C(=O)[O-] ZINC000324085017 498826241 /nfs/dbraw/zinc/82/62/41/498826241.db2.gz IGCDMRYFZKDOCS-UHFFFAOYSA-N -2 3 367.448 3.306 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c(C)c1 ZINC000327353946 498857341 /nfs/dbraw/zinc/85/73/41/498857341.db2.gz GJEQNFLWNIKULY-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000327755433 498863374 /nfs/dbraw/zinc/86/33/74/498863374.db2.gz MGBLYBINIRLSJY-UHFFFAOYSA-N -2 3 367.398 3.360 20 0 FGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387608128 499549849 /nfs/dbraw/zinc/54/98/49/499549849.db2.gz SOBJLKFWFFECNA-JTQLQIEISA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000392599552 499559072 /nfs/dbraw/zinc/55/90/72/499559072.db2.gz ORZPQRSDZLYIFD-UHFFFAOYSA-N -2 3 363.435 3.292 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000401562541 499569372 /nfs/dbraw/zinc/56/93/72/499569372.db2.gz OAFYVYLVNVIOHE-JTQLQIEISA-N -2 3 354.255 3.161 20 0 FGADHL O=c1cc(CSc2n[n-]c(=NCc3ccccc3)s2)nc(C2CC2)[n-]1 ZINC000412976502 499901651 /nfs/dbraw/zinc/90/16/51/499901651.db2.gz INDRGZFMKVPCRR-UHFFFAOYSA-N -2 3 371.491 3.237 20 0 FGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000430372515 500232267 /nfs/dbraw/zinc/23/22/67/500232267.db2.gz GCKAFFSDQRLBNJ-VIFPVBQESA-N -2 3 354.255 3.019 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000424389314 500495485 /nfs/dbraw/zinc/49/54/85/500495485.db2.gz HSDNDVHCHLDLSY-UHFFFAOYSA-N -2 3 373.780 3.138 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000424396212 500496715 /nfs/dbraw/zinc/49/67/15/500496715.db2.gz XAXFSDDOOUEUMH-UHFFFAOYSA-N -2 3 361.872 3.334 20 0 FGADHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000437002315 500591625 /nfs/dbraw/zinc/59/16/25/500591625.db2.gz QBMZJZSKMNZZHS-GOSISDBHSA-N -2 3 365.389 3.433 20 0 FGADHL Cc1nc(C=Cc2nc3c(s2)C[C@@H](C)CC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443451771 500726542 /nfs/dbraw/zinc/72/65/42/500726542.db2.gz HQCLQOTVBVIPBE-FGEFZZPRSA-N -2 3 359.451 3.260 20 0 FGADHL O=C([O-])c1cnc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)cn1 ZINC000439934681 500957353 /nfs/dbraw/zinc/95/73/53/500957353.db2.gz KZELYWGLGPDULH-UHFFFAOYSA-N -2 3 373.768 3.438 20 0 FGADHL CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000436169861 501083008 /nfs/dbraw/zinc/08/30/08/501083008.db2.gz CCCIJOAAXGVFRS-UHFFFAOYSA-N -2 3 371.361 3.063 20 0 FGADHL CCc1cc(=O)[n-]c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC000436209716 501089723 /nfs/dbraw/zinc/08/97/23/501089723.db2.gz LWNYLWSZNHJOPZ-UHFFFAOYSA-N -2 3 354.391 3.432 20 0 FGADHL O=C(c1[n-]cnc1-c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000436876644 501225639 /nfs/dbraw/zinc/22/56/39/501225639.db2.gz AJKLLDJSRGGLIN-UHFFFAOYSA-N -2 3 350.309 3.202 20 0 FGADHL O=C(c1nc[n-]c1-c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000436876644 501225641 /nfs/dbraw/zinc/22/56/41/501225641.db2.gz AJKLLDJSRGGLIN-UHFFFAOYSA-N -2 3 350.309 3.202 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000486049282 502030076 /nfs/dbraw/zinc/03/00/76/502030076.db2.gz ZVOUPBMDEGNQLG-DZGCQCFKSA-N -2 3 365.476 3.451 20 0 FGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC000479232798 502200349 /nfs/dbraw/zinc/20/03/49/502200349.db2.gz XGARXKOPTQYWJV-UHFFFAOYSA-N -2 3 367.810 3.082 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000476479171 502501278 /nfs/dbraw/zinc/50/12/78/502501278.db2.gz DVVFXZAOFSYNLL-UHFFFAOYSA-N -2 3 367.810 3.350 20 0 FGADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2C)n1 ZINC000477416573 502768983 /nfs/dbraw/zinc/76/89/83/502768983.db2.gz UXQOQABJUBDOPG-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000514778956 503190772 /nfs/dbraw/zinc/19/07/72/503190772.db2.gz UEVPGCTYYDQKKZ-QMMMGPOBSA-N -2 3 353.774 3.215 20 0 FGADHL Cc1ccc(OC(F)F)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504719628 503608146 /nfs/dbraw/zinc/60/81/46/503608146.db2.gz BUDYDZKZPQFOEB-GQCTYLIASA-N -2 3 350.321 3.198 20 0 FGADHL Cc1nc(C=Cc2cc(F)ccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504729905 503609091 /nfs/dbraw/zinc/60/90/91/503609091.db2.gz KTAVYOGNAVBAMX-DJWKRKHSSA-N -2 3 367.174 3.190 20 0 FGADHL CCCCc1n[n-]c(=NCc2ccc(OC)c([O-])c2Br)s1 ZINC000546208144 503669561 /nfs/dbraw/zinc/66/95/61/503669561.db2.gz MGZUZOSNQANUGZ-UHFFFAOYSA-N -2 3 372.288 3.391 20 0 FGADHL CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000546265831 503692165 /nfs/dbraw/zinc/69/21/65/503692165.db2.gz KQQNNHZQTYDOKN-CQSZACIVSA-N -2 3 371.455 3.131 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)o3)c2)n1 ZINC000536899012 503753749 /nfs/dbraw/zinc/75/37/49/503753749.db2.gz AUOIDJADLMWSNU-UHFFFAOYSA-N -2 3 359.407 3.114 20 0 FGADHL CCc1nc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)ccc2o1 ZINC000547545298 504145162 /nfs/dbraw/zinc/14/51/62/504145162.db2.gz BEFQXCVSUGUSII-UHFFFAOYSA-N -2 3 364.354 3.028 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1Cl ZINC000547546637 504145194 /nfs/dbraw/zinc/14/51/94/504145194.db2.gz KBPCZOLYWGZRFT-UHFFFAOYSA-N -2 3 366.782 3.121 20 0 FGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1)C(=O)[O-] ZINC000547611199 504155217 /nfs/dbraw/zinc/15/52/17/504155217.db2.gz IEIKKYHPVCCGQV-LLVKDONJSA-N -2 3 369.389 3.170 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC000534799312 504244784 /nfs/dbraw/zinc/24/47/84/504244784.db2.gz JWMKYOFVUXRXAH-JTQLQIEISA-N -2 3 354.255 3.079 20 0 FGADHL C[C@H](CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547884711 504258616 /nfs/dbraw/zinc/25/86/16/504258616.db2.gz MNMHUUQNHSFPRS-SECBINFHSA-N -2 3 361.872 3.334 20 0 FGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCC1 ZINC000547935454 504264811 /nfs/dbraw/zinc/26/48/11/504264811.db2.gz DYUCHLLEAOLYAA-UHFFFAOYSA-N -2 3 367.854 3.417 20 0 FGADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])c1C ZINC000547963775 504275582 /nfs/dbraw/zinc/27/55/82/504275582.db2.gz LALBEVKYTNBPEW-CQSZACIVSA-N -2 3 371.817 3.200 20 0 FGADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000548027352 504302692 /nfs/dbraw/zinc/30/26/92/504302692.db2.gz FTJLFDSTKPQVME-GFCCVEGCSA-N -2 3 373.883 3.013 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548219641 504370261 /nfs/dbraw/zinc/37/02/61/504370261.db2.gz LHBOPFBQYXWOJJ-JTQLQIEISA-N -2 3 371.352 3.012 20 0 FGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000548264643 504377488 /nfs/dbraw/zinc/37/74/88/504377488.db2.gz OZACWPSJZTVEAB-SKDRFNHKSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000548538172 504479038 /nfs/dbraw/zinc/47/90/38/504479038.db2.gz SKPFQQPYXULFLY-NSHDSACASA-N -2 3 371.430 3.296 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548550401 504481293 /nfs/dbraw/zinc/48/12/93/504481293.db2.gz MERRYAIYVXOTEX-MRXNPFEDSA-N -2 3 355.843 3.272 20 0 FGADHL CCOc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000548830845 504583390 /nfs/dbraw/zinc/58/33/90/504583390.db2.gz CIDPFQGMBSIUGU-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000560418003 505077715 /nfs/dbraw/zinc/07/77/15/505077715.db2.gz LKEJHINPBKVVOX-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3cnccc32)c1C(=O)[O-] ZINC000551243109 505184317 /nfs/dbraw/zinc/18/43/17/505184317.db2.gz IUCSMEDAPXWJDH-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000566655636 505233906 /nfs/dbraw/zinc/23/39/06/505233906.db2.gz AYHZIQAEFAOWHO-QMMMGPOBSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000567579742 505504852 /nfs/dbraw/zinc/50/48/52/505504852.db2.gz UZZQIFGBYWDPTB-SNVBAGLBSA-N -2 3 365.373 3.400 20 0 FGADHL CC(C)(C)n1nnc(C(=O)[N-]c2c([O-])c(Cl)cc(Cl)c2Cl)n1 ZINC000613219810 506978306 /nfs/dbraw/zinc/97/83/06/506978306.db2.gz UKXQUABFEMDWAK-UHFFFAOYSA-N -2 3 364.620 3.346 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)sc1Cl ZINC000583846868 507005633 /nfs/dbraw/zinc/00/56/33/507005633.db2.gz DVXGKJGEMSXVAO-SECBINFHSA-N -2 3 365.885 3.266 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000584777406 507499678 /nfs/dbraw/zinc/49/96/78/507499678.db2.gz AYXIOCPDIRNPEH-HNNXBMFYSA-N -2 3 351.424 3.004 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000327940506 599746913 /nfs/dbraw/zinc/74/69/13/599746913.db2.gz PWEAGPJEYNAXGH-UHFFFAOYSA-N -2 3 356.403 3.285 20 0 FGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3sccc3s2)s1 ZINC000739710785 600537233 /nfs/dbraw/zinc/53/72/33/600537233.db2.gz ICNARHPORKJMAE-UHFFFAOYSA-N -2 3 353.450 3.474 20 0 FGADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)cc1C(=O)[O-] ZINC000833055488 600810611 /nfs/dbraw/zinc/81/06/11/600810611.db2.gz HGVWTEFUNZLYPD-UHFFFAOYSA-N -2 3 374.393 3.330 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1F ZINC000833294659 601229576 /nfs/dbraw/zinc/22/95/76/601229576.db2.gz FDFJUWLMSPXIPV-IJLUTSLNSA-N -2 3 373.421 3.300 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000738241561 601332632 /nfs/dbraw/zinc/33/26/32/601332632.db2.gz XCXUCWOTHDXKBH-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000828672477 601480271 /nfs/dbraw/zinc/48/02/71/601480271.db2.gz SMHIFTQFZKCMLD-ZDUSSCGKSA-N -2 3 354.255 3.224 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000832955805 604809096 /nfs/dbraw/zinc/80/90/96/604809096.db2.gz JRIXMHWIZXETIQ-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL O=C([O-])N[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000834256723 605539226 /nfs/dbraw/zinc/53/92/26/605539226.db2.gz SLAYVQWMLUXXFY-ZDUSSCGKSA-N -2 3 365.183 3.102 20 0 FGADHL O=C([O-])N1CCC(C(=O)Nc2cccc([O-])c2F)(c2ccccc2)CC1 ZINC000834074030 605715438 /nfs/dbraw/zinc/71/54/38/605715438.db2.gz JQIPOBZGCLJFFR-UHFFFAOYSA-N -2 3 358.369 3.182 20 0 FGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182873689 705866791 /nfs/dbraw/zinc/86/67/91/705866791.db2.gz FFHPLXAEOADTDA-UHFFFAOYSA-N -2 3 354.815 3.060 20 0 FGADHL O=S(=O)([N-]c1cccc(C2CCOCC2)c1)c1cc([O-])cc(F)c1 ZINC000634793999 717117409 /nfs/dbraw/zinc/11/74/09/717117409.db2.gz JNGJWNRQOXHXKY-UHFFFAOYSA-N -2 3 351.399 3.226 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc(C(=O)[O-])c1C ZINC000647919342 718386888 /nfs/dbraw/zinc/38/68/88/718386888.db2.gz YDNQGUCWOGICDR-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000681576694 722212328 /nfs/dbraw/zinc/21/23/28/722212328.db2.gz UNUBVUKMIPOOQW-UHFFFAOYSA-N -2 3 373.780 3.138 20 0 FGADHL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c(C(=O)[O-])c1 ZINC000790613305 723159000 /nfs/dbraw/zinc/15/90/00/723159000.db2.gz VALNYADPXANIHQ-UHFFFAOYSA-N -2 3 370.377 3.189 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)c1 ZINC000793366744 723431252 /nfs/dbraw/zinc/43/12/52/723431252.db2.gz FWMBYEALOOVLQO-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1F ZINC000793433782 723438063 /nfs/dbraw/zinc/43/80/63/723438063.db2.gz WMLYPFUMPWIUIY-UHFFFAOYSA-N -2 3 355.362 3.335 20 0 FGADHL COc1ccc2cc([N-]S(=O)(=O)c3cc(OC)ccc3[O-])ccc2c1 ZINC000795368116 723585658 /nfs/dbraw/zinc/58/56/58/723585658.db2.gz UTPJICDQTSBAFS-UHFFFAOYSA-N -2 3 359.403 3.363 20 0 FGADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000776618470 724165163 /nfs/dbraw/zinc/16/51/63/724165163.db2.gz YEJUQICWZUPZTQ-LDYMZIIASA-N -2 3 371.352 3.012 20 0 FGADHL Cc1nc([C@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)sc1C(=O)[O-] ZINC000909504167 744371341 /nfs/dbraw/zinc/37/13/41/744371341.db2.gz RKDSATCQEGXMDX-JTQLQIEISA-N -2 3 366.414 3.195 20 0 FGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000050534609 221032550 /nfs/dbraw/zinc/03/25/50/221032550.db2.gz QIDBJDITKZQLLV-UHFFFAOYSA-N -2 3 370.386 3.373 20 0 FGADHL CCOCc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000282086208 257376434 /nfs/dbraw/zinc/37/64/34/257376434.db2.gz IEOCGBCOTJNLLR-RMKNXTFCSA-N -2 3 372.421 3.223 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000576919586 505624365 /nfs/dbraw/zinc/62/43/65/505624365.db2.gz FAADYKFBJHAJPH-JTQLQIEISA-N -2 3 374.509 3.102 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000573892038 505644904 /nfs/dbraw/zinc/64/49/04/505644904.db2.gz YRDCZXFDFAVXMM-DTWKUNHWSA-N -2 3 373.418 3.325 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c1 ZINC000013306607 494284881 /nfs/dbraw/zinc/28/48/81/494284881.db2.gz QREUZZFNDNIUON-UHFFFAOYSA-N -2 3 366.247 3.232 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Br ZINC000133128891 494974494 /nfs/dbraw/zinc/97/44/94/494974494.db2.gz VKENLQFKUOPSMX-UHFFFAOYSA-N -2 3 374.212 3.158 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000136741373 495398702 /nfs/dbraw/zinc/39/87/02/495398702.db2.gz YPZNBALOCGOQBS-NSHDSACASA-N -2 3 354.255 3.161 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000161335709 496155517 /nfs/dbraw/zinc/15/55/17/496155517.db2.gz ZASQNURZUFWXKE-UHFFFAOYSA-N -2 3 363.468 3.027 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000161335709 496155520 /nfs/dbraw/zinc/15/55/20/496155520.db2.gz ZASQNURZUFWXKE-UHFFFAOYSA-N -2 3 363.468 3.027 20 0 FGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000575112821 505923727 /nfs/dbraw/zinc/92/37/27/505923727.db2.gz DLTAYBJUPFHUND-UHFFFAOYSA-N -2 3 360.218 3.421 20 0 FGADHL O=S(=O)(CCCOCc1ccccc1)[N-]c1ccc(Cl)cc1[O-] ZINC000304394009 498733738 /nfs/dbraw/zinc/73/37/38/498733738.db2.gz UNLFHIZQOWLZNF-UHFFFAOYSA-N -2 3 355.843 3.394 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c1F ZINC000313235285 498767608 /nfs/dbraw/zinc/76/76/08/498767608.db2.gz IJGREDLAEODWQG-AWEZNQCLSA-N -2 3 351.399 3.019 20 0 FGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC000314101268 498774018 /nfs/dbraw/zinc/77/40/18/498774018.db2.gz BEQYAULRRJOKIC-NSHDSACASA-N -2 3 368.282 3.388 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387973592 499550045 /nfs/dbraw/zinc/55/00/45/499550045.db2.gz MIBHNHBKLNBWAH-VHSXEESVSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000391772924 499557271 /nfs/dbraw/zinc/55/72/71/499557271.db2.gz HCHDKSPRSWHAGJ-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1C(=O)[O-] ZINC000392452449 499558838 /nfs/dbraw/zinc/55/88/38/499558838.db2.gz FCXWDKWJRGPPFW-UHFFFAOYSA-N -2 3 369.826 3.410 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000414178597 499765903 /nfs/dbraw/zinc/76/59/03/499765903.db2.gz KTCSJJHYPSQEMB-UHFFFAOYSA-N -2 3 363.435 3.492 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000432690160 500548319 /nfs/dbraw/zinc/54/83/19/500548319.db2.gz ONNQFBASBGSBTN-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(Cl)cc3[O-])n2)cc1 ZINC000436939598 500575197 /nfs/dbraw/zinc/57/51/97/500575197.db2.gz PBALYNKRSGNELB-UHFFFAOYSA-N -2 3 359.769 3.198 20 0 FGADHL CCOCc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000443440135 500724722 /nfs/dbraw/zinc/72/47/22/500724722.db2.gz IEOCGBCOTJNLLR-TWGQIWQCSA-N -2 3 372.421 3.223 20 0 FGADHL CC(CC(=O)Nc1ccc(F)cc1[O-])CC(=O)Nc1ccc(F)cc1[O-] ZINC000444328089 500835074 /nfs/dbraw/zinc/83/50/74/500835074.db2.gz HLNNINBDNIHZRS-UHFFFAOYSA-N -2 3 364.348 3.370 20 0 FGADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1C ZINC000436478999 501135362 /nfs/dbraw/zinc/13/53/62/501135362.db2.gz STIIFTZNADKERU-UHFFFAOYSA-N -2 3 354.815 3.113 20 0 FGADHL COC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000436510829 501144122 /nfs/dbraw/zinc/14/41/22/501144122.db2.gz UYPJPVLDVYYWTR-UHFFFAOYSA-N -2 3 355.268 3.156 20 0 FGADHL Cc1nc(C=Cc2cc(Cl)c([O-])cc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000436580828 501162287 /nfs/dbraw/zinc/16/22/87/501162287.db2.gz XQUQSLFXXAMAAQ-NSCUHMNNSA-N -3 3 355.177 3.301 20 0 FGADHL CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436855315 501221500 /nfs/dbraw/zinc/22/15/00/501221500.db2.gz IRSLHYMZZVCARR-UHFFFAOYSA-N -2 3 374.418 3.095 20 0 FGADHL COc1ccccc1-c1nc(NC(=O)c2cc(F)c([O-])c(Cl)c2)n[n-]1 ZINC000436913009 501231422 /nfs/dbraw/zinc/23/14/22/501231422.db2.gz FSTXNXRWZDIRGO-UHFFFAOYSA-N -2 3 362.748 3.231 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)c1 ZINC000485269210 501773386 /nfs/dbraw/zinc/77/33/86/501773386.db2.gz SMLNUSMKWQALQC-UHFFFAOYSA-N -2 3 371.361 3.251 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)cc1C(=O)[O-] ZINC000478678269 502054437 /nfs/dbraw/zinc/05/44/37/502054437.db2.gz HIQKOIAROUTHFK-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000486888124 502294914 /nfs/dbraw/zinc/29/49/14/502294914.db2.gz QZNQYDWDKPZUOD-UHFFFAOYSA-N -2 3 371.466 3.355 20 0 FGADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000486888124 502294915 /nfs/dbraw/zinc/29/49/15/502294915.db2.gz QZNQYDWDKPZUOD-UHFFFAOYSA-N -2 3 371.466 3.355 20 0 FGADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000476414302 502483650 /nfs/dbraw/zinc/48/36/50/502483650.db2.gz KZPAJTFFPDVHFS-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(C)c1 ZINC000476431395 502487390 /nfs/dbraw/zinc/48/73/90/502487390.db2.gz QGMBUGFNYFHYQG-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1nc(C=Cc2ccc(Br)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000470237354 502712621 /nfs/dbraw/zinc/71/26/21/502712621.db2.gz PEQKVUGHJYVFJM-HYXAFXHYSA-N -2 3 367.174 3.190 20 0 FGADHL Cc1nc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470264969 502719663 /nfs/dbraw/zinc/71/96/63/502719663.db2.gz SIMSQJXIMGWGGV-FARCUNLSSA-N -2 3 370.796 3.127 20 0 FGADHL CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000485012407 502799904 /nfs/dbraw/zinc/79/99/04/502799904.db2.gz FWHBRENRAHZBSJ-UHFFFAOYSA-N -2 3 371.466 3.256 20 0 FGADHL CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000485012407 502799911 /nfs/dbraw/zinc/79/99/11/502799911.db2.gz FWHBRENRAHZBSJ-UHFFFAOYSA-N -2 3 371.466 3.256 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1C ZINC000509654085 502958308 /nfs/dbraw/zinc/95/83/08/502958308.db2.gz TVVXMONMDWJYCM-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000507978545 503407515 /nfs/dbraw/zinc/40/75/15/503407515.db2.gz IFHLJFUPSRFRHL-UHFFFAOYSA-N -2 3 367.810 3.350 20 0 FGADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504508775 503582382 /nfs/dbraw/zinc/58/23/82/503582382.db2.gz YLADGXUGRIMTLD-UHFFFAOYSA-N -2 3 369.826 3.303 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000500366484 503609432 /nfs/dbraw/zinc/60/94/32/503609432.db2.gz ZYCOSVPLACVYFX-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000540497767 503793399 /nfs/dbraw/zinc/79/33/99/503793399.db2.gz DBCCAHFRHXQMOV-UHFFFAOYSA-N -2 3 351.424 3.127 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cc1C ZINC000518027064 503892571 /nfs/dbraw/zinc/89/25/71/503892571.db2.gz ZRBRKFAGUWUYKH-UHFFFAOYSA-N -2 3 374.418 3.292 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1Cl ZINC000530487589 503982777 /nfs/dbraw/zinc/98/27/77/503982777.db2.gz GOHXUMVFNUUUJK-ZWNOBZJWSA-N -2 3 373.883 3.450 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000547468128 504117125 /nfs/dbraw/zinc/11/71/25/504117125.db2.gz PBOUEAZKMVPDEV-UHFFFAOYSA-N -2 3 359.831 3.318 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1F ZINC000547586245 504152258 /nfs/dbraw/zinc/15/22/58/504152258.db2.gz TXZJBZRIRSPAPJ-AWEZNQCLSA-N -2 3 363.366 3.066 20 0 FGADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)Cc2cccc3cccnc32)cc1F ZINC000547608046 504154822 /nfs/dbraw/zinc/15/48/22/504154822.db2.gz HJSRJSOOSQCDKH-UHFFFAOYSA-N -2 3 374.393 3.322 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)c1 ZINC000538297768 504194761 /nfs/dbraw/zinc/19/47/61/504194761.db2.gz BZIWVZOTUWVFGS-UHFFFAOYSA-N -2 3 374.418 3.473 20 0 FGADHL COc1ccc([O-])c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000538470934 504255789 /nfs/dbraw/zinc/25/57/89/504255789.db2.gz WVGYDIRKZMJFGH-UHFFFAOYSA-N -2 3 361.419 3.361 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC000542237013 504417140 /nfs/dbraw/zinc/41/71/40/504417140.db2.gz RYHJGXZJAGFNQL-UHFFFAOYSA-N -2 3 362.382 3.437 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)Cc2ccccc2Cl)c1F ZINC000548587982 504486505 /nfs/dbraw/zinc/48/65/05/504486505.db2.gz FPBVTSYHJKDLEF-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000548590608 504487245 /nfs/dbraw/zinc/48/72/45/504487245.db2.gz QFUJENBOACAPRH-CYBMUJFWSA-N -2 3 357.403 3.048 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c1Cl ZINC000520523044 504519161 /nfs/dbraw/zinc/51/91/61/504519161.db2.gz ALHBHEFVSOZUBZ-NXEZZACHSA-N -2 3 366.266 3.081 20 0 FGADHL CCOc1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000548764256 504556456 /nfs/dbraw/zinc/55/64/56/504556456.db2.gz FKOVLYFBOFXCIQ-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000539400604 504557313 /nfs/dbraw/zinc/55/73/13/504557313.db2.gz RCKUAXCCKLPZEA-UHFFFAOYSA-N -2 3 366.464 3.182 20 0 FGADHL CCC(CC)([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000556055021 504788122 /nfs/dbraw/zinc/78/81/22/504788122.db2.gz LAPWFKLTLAJPSG-UHFFFAOYSA-N -2 3 374.509 3.102 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000562528312 504847903 /nfs/dbraw/zinc/84/79/03/504847903.db2.gz CHOCQGDDJQAZMY-LLVKDONJSA-N -2 3 365.854 3.429 20 0 FGADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000562622333 504883782 /nfs/dbraw/zinc/88/37/82/504883782.db2.gz VJSPHIJZEYAZRK-INIZCTEOSA-N -2 3 369.417 3.298 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c1 ZINC000553484355 504928427 /nfs/dbraw/zinc/92/84/27/504928427.db2.gz NXKQYUBFPDQIOJ-UHFFFAOYSA-N -2 3 354.403 3.161 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000556702966 504946628 /nfs/dbraw/zinc/94/66/28/504946628.db2.gz HJEVEDXPHSPUEO-NSHDSACASA-N -2 3 359.831 3.316 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000556882439 505004603 /nfs/dbraw/zinc/00/46/03/505004603.db2.gz ONRUWFBSBYWJDJ-ZDUSSCGKSA-N -2 3 373.402 3.080 20 0 FGADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2C(C)C)c1F ZINC000554433643 505173394 /nfs/dbraw/zinc/17/33/94/505173394.db2.gz ZWGHKOWFBCGVGX-UHFFFAOYSA-N -2 3 367.398 3.457 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(C(=O)[O-])c1 ZINC000554530801 505199313 /nfs/dbraw/zinc/19/93/13/505199313.db2.gz KJLZWQXUWZYWJT-UHFFFAOYSA-N -2 3 371.361 3.440 20 0 FGADHL C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583691242 506920727 /nfs/dbraw/zinc/92/07/27/506920727.db2.gz GUHLATAHQWCANP-GFCCVEGCSA-N -2 3 351.424 3.013 20 0 FGADHL O=C(NCCCN=c1[n-]nc(-c2ccccc2)s1)c1cccc([O-])c1 ZINC000604036285 520432788 /nfs/dbraw/zinc/43/27/88/520432788.db2.gz SABCAYSZEYZPRO-UHFFFAOYSA-N -2 3 354.435 3.143 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(C)c1C ZINC000738064235 600299131 /nfs/dbraw/zinc/29/91/31/600299131.db2.gz ZFQFGZYEOIOJCB-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833180893 601093903 /nfs/dbraw/zinc/09/39/03/601093903.db2.gz XSTACRAQDGOXEI-RDTXWAMCSA-N -2 3 368.433 3.024 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C2CC(c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000833027475 601223417 /nfs/dbraw/zinc/22/34/17/601223417.db2.gz FXIATUQLDFQCRA-UHFFFAOYSA-N -2 3 369.826 3.164 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c1F ZINC000326762861 601227832 /nfs/dbraw/zinc/22/78/32/601227832.db2.gz OVMRYABFGNZYCD-ZDUSSCGKSA-N -2 3 367.373 3.019 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1F ZINC000326762859 601227874 /nfs/dbraw/zinc/22/78/74/601227874.db2.gz OVMRYABFGNZYCD-CYBMUJFWSA-N -2 3 367.373 3.019 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](C)c1ccccc1 ZINC000827760507 601240311 /nfs/dbraw/zinc/24/03/11/601240311.db2.gz LCHZVGPFZYUYMP-MNOVXSKESA-N -2 3 369.389 3.134 20 0 FGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013345457 601359632 /nfs/dbraw/zinc/35/96/32/601359632.db2.gz IWMVQOKEKWSVQC-VGOFMYFVSA-N -2 3 374.462 3.431 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)cc1F ZINC000063877027 601829530 /nfs/dbraw/zinc/82/95/30/601829530.db2.gz QBYSSYPZKBKMOU-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CCc1cc(=O)[n-]c(CN(C)[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000830224252 602235644 /nfs/dbraw/zinc/23/56/44/602235644.db2.gz JIZVJEGIFCMRPB-OAHLLOKOSA-N -2 3 370.236 3.309 20 0 FGADHL Cc1ccc(-c2nnc([N-]C(=O)c3ccc(CNC(=O)[O-])o3)s2)c(C)c1 ZINC000830159670 603415336 /nfs/dbraw/zinc/41/53/36/603415336.db2.gz GXPQOZSLDOEZCE-UHFFFAOYSA-N -2 3 372.406 3.435 20 0 FGADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cncc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000833758338 605016746 /nfs/dbraw/zinc/01/67/46/605016746.db2.gz DINTXGNGHOLFIU-QMMMGPOBSA-N -2 3 373.390 3.025 20 0 FGADHL Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000181738349 705807616 /nfs/dbraw/zinc/80/76/16/705807616.db2.gz PRCSDDDKKKRIFC-UHFFFAOYSA-N -2 3 360.750 3.202 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c(C)c1 ZINC000326898088 713821076 /nfs/dbraw/zinc/82/10/76/713821076.db2.gz ICMUXDNMNUOADD-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL CCCCn1nc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1Cl ZINC000794713876 723542604 /nfs/dbraw/zinc/54/26/04/723542604.db2.gz PCEFMOLNWWQUPA-SREVYHEPSA-N -2 3 364.833 3.247 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c2ccccc2)sc1Cl ZINC000650235228 718645951 /nfs/dbraw/zinc/64/59/51/718645951.db2.gz FJXPTDZDCAATGJ-HNNXBMFYSA-N -2 3 373.883 3.031 20 0 FGADHL CC[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000654787927 719232396 /nfs/dbraw/zinc/23/23/96/719232396.db2.gz AJVMQCRSDBQCIP-SECBINFHSA-N -2 3 354.255 3.081 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)sc1Cl ZINC000682697877 722261793 /nfs/dbraw/zinc/26/17/93/722261793.db2.gz HXYMFPYSDLROIJ-QMMMGPOBSA-N -2 3 365.885 3.266 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000821089779 729056477 /nfs/dbraw/zinc/05/64/77/729056477.db2.gz OCGKSZAGEJCFOE-CMDGGOBGSA-N -2 3 367.810 3.245 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)CC(F)(F)F ZINC000840899742 730189204 /nfs/dbraw/zinc/18/92/04/730189204.db2.gz RNRWYQHMYQNRMM-VIFPVBQESA-N -2 3 371.352 3.089 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000013264940 220062689 /nfs/dbraw/zinc/06/26/89/220062689.db2.gz RVAAAZFQPRAXDV-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000131373470 494598283 /nfs/dbraw/zinc/59/82/83/494598283.db2.gz LVXLVSJDVLKIMZ-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(F)cc1Br ZINC000131408530 494607856 /nfs/dbraw/zinc/60/78/56/494607856.db2.gz POYUJIITXGHNEC-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1Br ZINC000131412980 494609761 /nfs/dbraw/zinc/60/97/61/494609761.db2.gz JOLJVTPMBVIOJG-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000175025027 496213429 /nfs/dbraw/zinc/21/34/29/496213429.db2.gz ABWGAYKRWLVHKU-QGZVFWFLSA-N -2 3 361.463 3.294 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000185010188 496619888 /nfs/dbraw/zinc/61/98/88/496619888.db2.gz VWAKDHBGRJKVGP-MRVPVSSYSA-N -2 3 374.509 3.240 20 0 FGADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cccc([O-])c1 ZINC000182001294 496631019 /nfs/dbraw/zinc/63/10/19/496631019.db2.gz ACVPZCRVYFDTSD-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1nccs1 ZINC000185047450 496636938 /nfs/dbraw/zinc/63/69/38/496636938.db2.gz SNAGCMDVHRXWLC-LLVKDONJSA-N -2 3 374.871 3.233 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)on1 ZINC000185069561 496646581 /nfs/dbraw/zinc/64/65/81/496646581.db2.gz OVNPWPACNPNOBO-UHFFFAOYSA-N -2 3 366.439 3.063 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000226857071 497086854 /nfs/dbraw/zinc/08/68/54/497086854.db2.gz BUXUENCMHWHPAA-UHFFFAOYSA-N -2 3 357.387 3.347 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000267234291 497506816 /nfs/dbraw/zinc/50/68/16/497506816.db2.gz WYQFAJRMDCNBOL-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000578969779 506064246 /nfs/dbraw/zinc/06/42/46/506064246.db2.gz ROLJYRWOCMSFNP-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000324988195 498832291 /nfs/dbraw/zinc/83/22/91/498832291.db2.gz UNLLFCKQDFJFPF-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000325008193 498832547 /nfs/dbraw/zinc/83/25/47/498832547.db2.gz BIOAVPQOISKLQU-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000401546890 499569319 /nfs/dbraw/zinc/56/93/19/499569319.db2.gz FLAPSQJYATYLDK-JTQLQIEISA-N -2 3 354.255 3.161 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2NC(C)(C)C)c1 ZINC000410403547 499660482 /nfs/dbraw/zinc/66/04/82/499660482.db2.gz RXOLNGTZCMFJFS-UHFFFAOYSA-N -2 3 350.440 3.412 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(F)cc(F)c3F)c1)CCC2 ZINC000431184367 500347279 /nfs/dbraw/zinc/34/72/79/500347279.db2.gz SQKOLTPCKYYDGF-UHFFFAOYSA-N -2 3 371.336 3.092 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1Cl ZINC000432755848 500558790 /nfs/dbraw/zinc/55/87/90/500558790.db2.gz VVXQBOLVGSFXOR-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1nc(C=Cc2ccnn2-c2ccc(F)cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443448654 500725881 /nfs/dbraw/zinc/72/58/81/500725881.db2.gz UTGVQJNKHAHQIC-SOFGYWHQSA-N -2 3 368.368 3.003 20 0 FGADHL Cc1nc(C=Cc2nc(C(C)C)n3ccccc23)[n-]c(=O)c1CCC(=O)[O-] ZINC000443447747 500725908 /nfs/dbraw/zinc/72/59/08/500725908.db2.gz XCKHGIMWRZKMPC-HJWRWDBZSA-N -2 3 366.421 3.449 20 0 FGADHL Cc1nc(C=Cc2cnc(C(F)(F)F)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443454858 500726719 /nfs/dbraw/zinc/72/67/19/500726719.db2.gz PXISJORFRTYZFE-DUXPYHPUSA-N -2 3 359.329 3.154 20 0 FGADHL O=S(=O)(CCc1ccccc1)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000439006497 500846223 /nfs/dbraw/zinc/84/62/23/500846223.db2.gz KGSYJUOYTDPHLQ-UHFFFAOYSA-N -2 3 374.491 3.081 20 0 FGADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436556093 501155874 /nfs/dbraw/zinc/15/58/74/501155874.db2.gz OIIWWMSZBJVEPI-UHFFFAOYSA-N -2 3 373.796 3.307 20 0 FGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000436630284 501174156 /nfs/dbraw/zinc/17/41/56/501174156.db2.gz MFVAJGBDTOCMLP-UHFFFAOYSA-N -2 3 358.785 3.163 20 0 FGADHL Cc1nc(C2CC2)oc1C(=O)[N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450694446 501187438 /nfs/dbraw/zinc/18/74/38/501187438.db2.gz GVXRQTOOHPTJSU-UHFFFAOYSA-N -2 3 359.773 3.257 20 0 FGADHL COc1cccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c1[O-] ZINC000436896711 501229173 /nfs/dbraw/zinc/22/91/73/501229173.db2.gz ZPOBRJXSYZMDRG-UHFFFAOYSA-N -2 3 352.184 3.430 20 0 FGADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000467074855 502780163 /nfs/dbraw/zinc/78/01/63/502780163.db2.gz WRVULWOFAJSYAS-UHFFFAOYSA-N -2 3 371.466 3.355 20 0 FGADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000467074855 502780167 /nfs/dbraw/zinc/78/01/67/502780167.db2.gz WRVULWOFAJSYAS-UHFFFAOYSA-N -2 3 371.466 3.355 20 0 FGADHL O=C(CSc1n[n-]c(=Nc2ccccc2)s1)Nc1ccccc1[O-] ZINC000514116918 503092538 /nfs/dbraw/zinc/09/25/38/503092538.db2.gz NVIOKEDFOTVLSO-UHFFFAOYSA-N -2 3 358.448 3.140 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504680963 503604249 /nfs/dbraw/zinc/60/42/49/503604249.db2.gz QPDNFAIRZPUAKC-SNVBAGLBSA-N -2 3 373.780 3.281 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c1 ZINC000546970033 503942128 /nfs/dbraw/zinc/94/21/28/503942128.db2.gz SIGQNLOIUVIOEH-UHFFFAOYSA-N -2 3 371.817 3.007 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1Cl ZINC000530487587 503982635 /nfs/dbraw/zinc/98/26/35/503982635.db2.gz GOHXUMVFNUUUJK-GXFFZTMASA-N -2 3 373.883 3.450 20 0 FGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000547558487 504147373 /nfs/dbraw/zinc/14/73/73/504147373.db2.gz JIZBNAAYENNTDX-SNVBAGLBSA-N -2 3 367.389 3.121 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000547562438 504148661 /nfs/dbraw/zinc/14/86/61/504148661.db2.gz JCUIGJLNFVZAJO-SECBINFHSA-N -2 3 359.831 3.174 20 0 FGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1)C(=O)[O-] ZINC000547609738 504155447 /nfs/dbraw/zinc/15/54/47/504155447.db2.gz WJXCTLSRCWJWBC-LBPRGKRZSA-N -2 3 374.418 3.033 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000544645271 504203530 /nfs/dbraw/zinc/20/35/30/504203530.db2.gz KYTKVEPFVUSABE-CYBMUJFWSA-N -2 3 363.435 3.149 20 0 FGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547789727 504226019 /nfs/dbraw/zinc/22/60/19/504226019.db2.gz DWAUHHOTIGJZLY-UHFFFAOYSA-N -2 3 355.843 3.417 20 0 FGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000547881993 504256900 /nfs/dbraw/zinc/25/69/00/504256900.db2.gz HQNWNXAGFVFSPF-OAHLLOKOSA-N -2 3 351.399 3.019 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(Cl)cc1F ZINC000547914380 504262432 /nfs/dbraw/zinc/26/24/32/504262432.db2.gz ASFIGQUVDGVNSA-SNVBAGLBSA-N -2 3 365.854 3.345 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000547935715 504264770 /nfs/dbraw/zinc/26/47/70/504264770.db2.gz NQAVLCDTQOVUQC-UHFFFAOYSA-N -2 3 369.782 3.164 20 0 FGADHL Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000547937564 504266015 /nfs/dbraw/zinc/26/60/15/504266015.db2.gz LKLHUHDGUKZAIP-UHFFFAOYSA-N -2 3 361.206 3.075 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccsc1 ZINC000548193593 504366035 /nfs/dbraw/zinc/36/60/35/504366035.db2.gz WSFYIQOPMUPOGC-NSHDSACASA-N -2 3 363.819 3.035 20 0 FGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000548526781 504478322 /nfs/dbraw/zinc/47/83/22/504478322.db2.gz IJADADPUSCODKA-UHFFFAOYSA-N -2 3 367.810 3.432 20 0 FGADHL CC(C)c1scnc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000558336461 505363142 /nfs/dbraw/zinc/36/31/42/505363142.db2.gz DAHJDYNMCSASNI-UHFFFAOYSA-N -2 3 371.484 3.189 20 0 FGADHL C[C@H]([C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-])C1CC1 ZINC000567369443 505443709 /nfs/dbraw/zinc/44/37/09/505443709.db2.gz QIPSVVHLKYNTCS-BONVTDFDSA-N -2 3 367.854 3.271 20 0 FGADHL Cc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CCCC2)c1 ZINC000738687814 599778670 /nfs/dbraw/zinc/77/86/70/599778670.db2.gz VNFUEPKTKQLTNJ-UHFFFAOYSA-N -2 3 363.435 3.077 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC000013278563 600103156 /nfs/dbraw/zinc/10/31/56/600103156.db2.gz RPTLVFXQMMOVTR-UHFFFAOYSA-N -2 3 374.462 3.403 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ccc1N(C)C ZINC000738463838 600105651 /nfs/dbraw/zinc/10/56/51/600105651.db2.gz WYXAQZMASXYUSS-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000048382575 601323645 /nfs/dbraw/zinc/32/36/45/601323645.db2.gz SVDGOXRROAOOPB-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(CNC(=O)[O-])o3)s2)cc1 ZINC000830323702 602893377 /nfs/dbraw/zinc/89/33/77/602893377.db2.gz IEYLLEUAVKGNHC-UHFFFAOYSA-N -2 3 372.406 3.050 20 0 FGADHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000826103217 604383091 /nfs/dbraw/zinc/38/30/91/604383091.db2.gz OFLNLBWEZKEQLH-GOSISDBHSA-N -2 3 364.401 3.110 20 0 FGADHL COc1ccc([O-])c(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000388490402 605153945 /nfs/dbraw/zinc/15/39/45/605153945.db2.gz MDQIARBQVHYPLV-UHFFFAOYSA-N -2 3 366.167 3.114 20 0 FGADHL O=C([O-])C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000833773387 605310416 /nfs/dbraw/zinc/31/04/16/605310416.db2.gz VPSRXVOJXUQKBJ-CYBMUJFWSA-N -2 3 353.296 3.357 20 0 FGADHL O=C([O-])N1CCC(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC1 ZINC000833988292 605655291 /nfs/dbraw/zinc/65/52/91/605655291.db2.gz QDBQKDQTGJSEIN-UHFFFAOYSA-N -2 3 360.332 3.033 20 0 FGADHL CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379907 609268673 /nfs/dbraw/zinc/26/86/73/609268673.db2.gz MAEGNTUDMVOBAQ-SNVBAGLBSA-N -2 3 373.363 3.074 20 0 FGADHL CCN(C(=O)c1cc(F)c([O-])c(F)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379907 609268674 /nfs/dbraw/zinc/26/86/74/609268674.db2.gz MAEGNTUDMVOBAQ-SNVBAGLBSA-N -2 3 373.363 3.074 20 0 FGADHL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc21 ZINC000182493897 705846229 /nfs/dbraw/zinc/84/62/29/705846229.db2.gz DRPHEPGESAHKHX-UHFFFAOYSA-N -2 3 366.826 3.076 20 0 FGADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(F)c1 ZINC000655598155 719312524 /nfs/dbraw/zinc/31/25/24/719312524.db2.gz BVVJYNFAQQRYOJ-UHFFFAOYSA-N -2 3 370.402 3.078 20 0 FGADHL C[C@@](CCF)([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000656724170 719451028 /nfs/dbraw/zinc/45/10/28/719451028.db2.gz KCVGJKVODXOEJR-ZDUSSCGKSA-N -2 3 365.835 3.036 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1C(=O)[O-] ZINC000676103045 721785847 /nfs/dbraw/zinc/78/58/47/721785847.db2.gz MTKXPWLQZRBWCS-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000863427826 732961893 /nfs/dbraw/zinc/96/18/93/732961893.db2.gz IBJLTMUKIJZPGU-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc(F)c1Cl ZINC000871921552 735565972 /nfs/dbraw/zinc/56/59/72/735565972.db2.gz PAMAUOSCFKPNSJ-SSDOTTSWSA-N -2 3 371.764 3.034 20 0 FGADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909494659 744369631 /nfs/dbraw/zinc/36/96/31/744369631.db2.gz DMSIXYSGAXXZRI-LLVKDONJSA-N -2 3 359.344 3.374 20 0 FGADHL Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC000928783486 760260214 /nfs/dbraw/zinc/26/02/14/760260214.db2.gz UJDKYSMUXRBELS-UHFFFAOYSA-N -2 3 359.304 3.130 20 0 FGADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1[O-] ZINC000047119172 494636771 /nfs/dbraw/zinc/63/67/71/494636771.db2.gz UEZNGGJAUUNZAP-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1sccc1Br ZINC000131530000 494648961 /nfs/dbraw/zinc/64/89/61/494648961.db2.gz BZOGKGNZCONRFX-UHFFFAOYSA-N -2 3 352.206 3.156 20 0 FGADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000026290246 494813962 /nfs/dbraw/zinc/81/39/62/494813962.db2.gz NADDABQSYJFEPS-UHFFFAOYSA-N -2 3 374.393 3.308 20 0 FGADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000094069813 494945653 /nfs/dbraw/zinc/94/56/53/494945653.db2.gz KQTYLQIUGDJIDN-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000137746562 495449458 /nfs/dbraw/zinc/44/94/58/495449458.db2.gz NBHZHTADGZPGAL-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)oc3C)c2)n1 ZINC000182781473 495700645 /nfs/dbraw/zinc/70/06/45/495700645.db2.gz AQUDIZLVEKWLDH-UHFFFAOYSA-N -2 3 373.434 3.010 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)c([O-])c(F)c3)c2)n1 ZINC000183421868 495975812 /nfs/dbraw/zinc/97/58/12/495975812.db2.gz BSOOOQJNPYDGBF-UHFFFAOYSA-N -2 3 371.343 3.235 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000191753282 496879047 /nfs/dbraw/zinc/87/90/47/496879047.db2.gz KELCHLMJNSUBLI-VIFPVBQESA-N -2 3 351.405 3.232 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])sc1Cl ZINC000231807336 497110420 /nfs/dbraw/zinc/11/04/20/497110420.db2.gz REDGAVYQNKWIQX-PSASIEDQSA-N -2 3 353.893 3.268 20 0 FGADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000236708782 497136050 /nfs/dbraw/zinc/13/60/50/497136050.db2.gz JPTYXXNEDBVMED-CQSZACIVSA-N -2 3 353.465 3.164 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000318151350 498794834 /nfs/dbraw/zinc/79/48/34/498794834.db2.gz WNEMLTPETYQHSB-SMDDNHRTSA-N -2 3 366.266 3.305 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000319490072 498803356 /nfs/dbraw/zinc/80/33/56/498803356.db2.gz DFHYTGZGCUGEAS-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442229437 500573401 /nfs/dbraw/zinc/57/34/01/500573401.db2.gz MCLKPRURRQBHFO-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000436626384 501173110 /nfs/dbraw/zinc/17/31/10/501173110.db2.gz HLUPCDVRSFTZJO-UHFFFAOYSA-N -2 3 359.373 3.455 20 0 FGADHL CSCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000481611109 501831091 /nfs/dbraw/zinc/83/10/91/501831091.db2.gz CSGTZGQIDXGQQV-UHFFFAOYSA-N -2 3 366.464 3.014 20 0 FGADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n1 ZINC000467931211 501908852 /nfs/dbraw/zinc/90/88/52/501908852.db2.gz KHGGOOKDILVKFZ-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)ccc1C(=O)[O-] ZINC000506669734 503153704 /nfs/dbraw/zinc/15/37/04/503153704.db2.gz QTTMLMBTCKTKRX-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000512790548 503631859 /nfs/dbraw/zinc/63/18/59/503631859.db2.gz OKPWEDQRSYBYTD-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000517593845 503780898 /nfs/dbraw/zinc/78/08/98/503780898.db2.gz OAGAFBMJNYSALD-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1CC(=O)[O-] ZINC000538138997 504143303 /nfs/dbraw/zinc/14/33/03/504143303.db2.gz OCXMJNPHVZPADO-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000547544156 504144892 /nfs/dbraw/zinc/14/48/92/504144892.db2.gz DBGNYDHQNRWFRA-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL N#CC1(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])CCCCC1 ZINC000547546426 504144905 /nfs/dbraw/zinc/14/49/05/504144905.db2.gz QLUPDTZKGCKARO-UHFFFAOYSA-N -2 3 356.831 3.254 20 0 FGADHL CCc1nc2cc(S(=O)(=O)[N-]c3c(F)cccc3C(=O)[O-])ccc2o1 ZINC000547589105 504151667 /nfs/dbraw/zinc/15/16/67/504151667.db2.gz WEMHGVFHTKQOEJ-UHFFFAOYSA-N -2 3 364.354 3.028 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000547638646 504164551 /nfs/dbraw/zinc/16/45/51/504164551.db2.gz WQPBQVDKFIIYIM-MRVPVSSYSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000547875357 504255552 /nfs/dbraw/zinc/25/55/52/504255552.db2.gz FANYNBCUGMLVQO-GFCCVEGCSA-N -2 3 361.419 3.126 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(Cl)cc1F ZINC000547901007 504260582 /nfs/dbraw/zinc/26/05/82/504260582.db2.gz GZTXMKOZFHZYAP-SNVBAGLBSA-N -2 3 351.827 3.099 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548219643 504370107 /nfs/dbraw/zinc/37/01/07/504370107.db2.gz LHBOPFBQYXWOJJ-SNVBAGLBSA-N -2 3 371.352 3.012 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548262415 504378019 /nfs/dbraw/zinc/37/80/19/504378019.db2.gz QYHXBTSATDITJV-LLVKDONJSA-N -2 3 371.352 3.012 20 0 FGADHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000548566245 504483454 /nfs/dbraw/zinc/48/34/54/504483454.db2.gz BOXSJJNIOSTJRR-BMIGLBTASA-N -2 3 371.817 3.219 20 0 FGADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C1CC1 ZINC000539400028 504557545 /nfs/dbraw/zinc/55/75/45/504557545.db2.gz RIOUWYNCFOYEMT-NSHDSACASA-N -2 3 365.455 3.247 20 0 FGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1ncn(Cc2ccccc2)[n-]1 ZINC000552872823 504779228 /nfs/dbraw/zinc/77/92/28/504779228.db2.gz JRCJHPHHQZJQCF-UHFFFAOYSA-N -2 3 350.422 3.138 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000553149701 504838304 /nfs/dbraw/zinc/83/83/04/504838304.db2.gz HQVCXIJVNZIVHO-UHFFFAOYSA-N -2 3 374.418 3.473 20 0 FGADHL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000562622334 504883411 /nfs/dbraw/zinc/88/34/11/504883411.db2.gz VJSPHIJZEYAZRK-MRXNPFEDSA-N -2 3 369.417 3.298 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2)c(Br)c1 ZINC000560415897 505077207 /nfs/dbraw/zinc/07/72/07/505077207.db2.gz GGLYZIQDVXZPRJ-UHFFFAOYSA-N -2 3 362.226 3.010 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C(=O)OC(C)C ZINC000566816230 505279650 /nfs/dbraw/zinc/27/96/50/505279650.db2.gz AJVXLJOCFISILV-UHFFFAOYSA-N -2 3 367.398 3.206 20 0 FGADHL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000561336285 505317711 /nfs/dbraw/zinc/31/77/11/505317711.db2.gz YKRXPANQVLFYCL-GFCCVEGCSA-N -2 3 351.424 3.379 20 0 FGADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000564491928 505432466 /nfs/dbraw/zinc/43/24/66/505432466.db2.gz JWVKZOZKYCLLAM-ONEGZZNKSA-N -2 3 361.419 3.292 20 0 FGADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000564711534 505499672 /nfs/dbraw/zinc/49/96/72/505499672.db2.gz RVGUFOAECAAEDC-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL O=C(N=c1[n-]nc(Cc2ccccc2F)s1)c1cc2ccsc2[n-]1 ZINC000594657989 507224670 /nfs/dbraw/zinc/22/46/70/507224670.db2.gz KVQWRMOHCXZJJQ-UHFFFAOYSA-N -2 3 358.423 3.485 20 0 FGADHL O=C(N=c1[n-]ncn1C1CC1)c1cc2cc(Br)sc2[n-]1 ZINC000614581230 521033438 /nfs/dbraw/zinc/03/34/38/521033438.db2.gz HSMINAAZQQOJPY-UHFFFAOYSA-N -2 3 352.217 3.171 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCCC2)o1 ZINC000740175314 599770425 /nfs/dbraw/zinc/77/04/25/599770425.db2.gz OJISGGGKZGAXSL-UHFFFAOYSA-N -2 3 363.435 3.158 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000740175125 599778297 /nfs/dbraw/zinc/77/82/97/599778297.db2.gz GMBRYLGVOIWGMR-GJZGRUSLSA-N -2 3 363.435 3.058 20 0 FGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(NC(=O)[O-])c3)ccc2O1 ZINC000736825573 599938985 /nfs/dbraw/zinc/93/89/85/599938985.db2.gz OCFKRPJQSQPNNZ-VIFPVBQESA-N -2 3 366.370 3.040 20 0 FGADHL O=C([O-])C[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739639296 600088069 /nfs/dbraw/zinc/08/80/69/600088069.db2.gz JVRQZMQIBQEOAK-NSHDSACASA-N -2 3 373.434 3.486 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)c1 ZINC000736494998 600097019 /nfs/dbraw/zinc/09/70/19/600097019.db2.gz SITISMCEGWNODA-UHFFFAOYSA-N -2 3 371.361 3.251 20 0 FGADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000736992650 600104724 /nfs/dbraw/zinc/10/47/24/600104724.db2.gz NRSYSBMPMJNZRO-UHFFFAOYSA-N -2 3 362.451 3.422 20 0 FGADHL Cc1oc(COC(=O)c2cccc(Br)c2[O-])cc1C(=O)[O-] ZINC000738979755 600109565 /nfs/dbraw/zinc/10/95/65/600109565.db2.gz DDGAEEVAZBDMNH-UHFFFAOYSA-N -2 3 355.140 3.111 20 0 FGADHL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000740001758 600303384 /nfs/dbraw/zinc/30/33/84/600303384.db2.gz PNGOPECSIMCEPH-UHFFFAOYSA-N -2 3 360.435 3.134 20 0 FGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3NC(=O)[O-])cc2)n1 ZINC000738313612 600574521 /nfs/dbraw/zinc/57/45/21/600574521.db2.gz CEXPNSWGXCETPR-UHFFFAOYSA-N -2 3 364.361 3.088 20 0 FGADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000386039917 601265837 /nfs/dbraw/zinc/26/58/37/601265837.db2.gz KXPOCJNYOQXWAX-UHFFFAOYSA-N -2 3 366.266 3.449 20 0 FGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)ccc2O1 ZINC000828077941 602309187 /nfs/dbraw/zinc/30/91/87/602309187.db2.gz FCKGDWFDJXUZDP-YHYXMXQVSA-N -2 3 373.430 3.299 20 0 FGADHL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000825449797 603403051 /nfs/dbraw/zinc/40/30/51/603403051.db2.gz ZTIVCOMEDCQSAW-GFCCVEGCSA-N -2 3 360.435 3.305 20 0 FGADHL O=C([O-])C[C@H](NC(=O)c1ccccc1[O-])c1cccc(Br)c1 ZINC000833772630 604664553 /nfs/dbraw/zinc/66/45/53/604664553.db2.gz FREOPUXYYUICAQ-ZDUSSCGKSA-N -2 3 364.195 3.101 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc1 ZINC000833506662 605006212 /nfs/dbraw/zinc/00/62/12/605006212.db2.gz KGTRFEKJWMQZQO-UHFFFAOYSA-N -2 3 364.423 3.389 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)c1F ZINC000833734564 605263590 /nfs/dbraw/zinc/26/35/90/605263590.db2.gz NASSDTFRMLPMME-UHFFFAOYSA-N -2 3 354.359 3.033 20 0 FGADHL O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000833772614 605307897 /nfs/dbraw/zinc/30/78/97/605307897.db2.gz FKTUWHCNRMHAKM-ZDUSSCGKSA-N -2 3 369.295 3.062 20 0 FGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1csc2ccccc12 ZINC000826256087 609423640 /nfs/dbraw/zinc/42/36/40/609423640.db2.gz UPKHGWDFWJYUIV-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1C ZINC000522396903 714186314 /nfs/dbraw/zinc/18/63/14/714186314.db2.gz ZOALWQYODHDANY-UHFFFAOYSA-N -2 3 363.435 3.184 20 0 FGADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC(F)F ZINC000670370091 721532117 /nfs/dbraw/zinc/53/21/17/721532117.db2.gz WJUSJOCPCTXFKT-GQCTYLIASA-N -2 3 352.293 3.051 20 0 FGADHL CCOC(=O)c1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c([O-])c1 ZINC000760208790 723043166 /nfs/dbraw/zinc/04/31/66/723043166.db2.gz GZWAODQFIKTSAQ-UHFFFAOYSA-N -2 3 358.375 3.251 20 0 FGADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000776618468 724164883 /nfs/dbraw/zinc/16/48/83/724164883.db2.gz YEJUQICWZUPZTQ-KCJUWKMLSA-N -2 3 371.352 3.012 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000094703115 494957404 /nfs/dbraw/zinc/95/74/04/494957404.db2.gz ONUBLXKDNKXVHD-SECBINFHSA-N -2 3 354.255 3.019 20 0 FGADHL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000013278566 494284506 /nfs/dbraw/zinc/28/45/06/494284506.db2.gz DJAVZGBOFVPOQG-UHFFFAOYSA-N -2 3 370.770 3.056 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1Cl ZINC000075081940 494684585 /nfs/dbraw/zinc/68/45/85/494684585.db2.gz YDLWBPMSYZLKES-UHFFFAOYSA-N -2 3 353.827 3.466 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(Br)s1 ZINC000127881355 495012386 /nfs/dbraw/zinc/01/23/86/495012386.db2.gz KJVPGIHXDCJMBJ-UHFFFAOYSA-N -2 3 352.206 3.156 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000136739795 495398787 /nfs/dbraw/zinc/39/87/87/495398787.db2.gz OWJIPQWSVZSXQN-JTQLQIEISA-N -2 3 354.255 3.161 20 0 FGADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(C(=O)[O-])c1 ZINC000577716672 505781890 /nfs/dbraw/zinc/78/18/90/505781890.db2.gz YBQLPYDPOHSIHR-UHFFFAOYSA-N -2 3 370.377 3.189 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)s1 ZINC000152778913 496254831 /nfs/dbraw/zinc/25/48/31/496254831.db2.gz JQKVVUPIFOTCBJ-UHFFFAOYSA-N -2 3 363.468 3.027 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC000152778913 496254837 /nfs/dbraw/zinc/25/48/37/496254837.db2.gz JQKVVUPIFOTCBJ-UHFFFAOYSA-N -2 3 363.468 3.027 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C)c1CC(=O)[O-] ZINC000181287522 496341207 /nfs/dbraw/zinc/34/12/07/496341207.db2.gz UYUHRISODQCTII-UHFFFAOYSA-N -2 3 372.446 3.220 20 0 FGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000185053437 496639450 /nfs/dbraw/zinc/63/94/50/496639450.db2.gz ALTWSFIUZYFCSJ-GFCCVEGCSA-N -2 3 354.435 3.403 20 0 FGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000569299877 505900353 /nfs/dbraw/zinc/90/03/53/505900353.db2.gz JJVPOIJMFXXPQM-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263161522 497720495 /nfs/dbraw/zinc/72/04/95/497720495.db2.gz ILBTUHVCMBPZPC-PBHICJAKSA-N -2 3 353.418 3.308 20 0 FGADHL O=C(N=c1nc(Sc2ccccc2)[n-]s1)[N-]O[C@H]1CCCCO1 ZINC000290398198 498537663 /nfs/dbraw/zinc/53/76/63/498537663.db2.gz OEZRVTDIRTXXFP-NSHDSACASA-N -2 3 352.441 3.269 20 0 FGADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000576014517 506056131 /nfs/dbraw/zinc/05/61/31/506056131.db2.gz BHZAWLOEIAHEGN-LLVKDONJSA-N -2 3 359.856 3.086 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000314412184 498775077 /nfs/dbraw/zinc/77/50/77/498775077.db2.gz BQJWKPXMIGPNDN-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000319262665 498801740 /nfs/dbraw/zinc/80/17/40/498801740.db2.gz SUZLCRSDMROHCA-MGCOHNPYSA-N -2 3 366.266 3.163 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000572997594 506095743 /nfs/dbraw/zinc/09/57/43/506095743.db2.gz CEXGWVWWNAKFIK-CQSZACIVSA-N -2 3 355.799 3.061 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000391743852 499557193 /nfs/dbraw/zinc/55/71/93/499557193.db2.gz AYZHYJXXLPLZRV-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000391577545 499557371 /nfs/dbraw/zinc/55/73/71/499557371.db2.gz FWQOKUJLDKPTAC-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C ZINC000421166053 499979601 /nfs/dbraw/zinc/97/96/01/499979601.db2.gz OIKNHVYLTMZGMT-LLVKDONJSA-N -2 3 363.863 3.149 20 0 FGADHL O=C(Cc1ccc([O-])cc1Cl)N=c1cc(-c2cccc(F)c2F)[n-][nH]1 ZINC000427009179 500344222 /nfs/dbraw/zinc/34/42/22/500344222.db2.gz PNYDOOPIXYWRRF-UHFFFAOYSA-N -2 3 363.751 3.317 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1C(=O)[O-] ZINC000442228090 500572910 /nfs/dbraw/zinc/57/29/10/500572910.db2.gz HTBBWTINXOKNSB-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc(Cl)c1[O-] ZINC000443115609 500682725 /nfs/dbraw/zinc/68/27/25/500682725.db2.gz NOARPNSCJZMPQX-UHFFFAOYSA-N -2 3 357.797 3.427 20 0 FGADHL COc1ccc2nc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)sc2c1 ZINC000443449053 500726628 /nfs/dbraw/zinc/72/66/28/500726628.db2.gz CDUVPIFHKQQDGR-VOTSOKGWSA-N -2 3 371.418 3.297 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(Cl)cc1F ZINC000471134728 501931114 /nfs/dbraw/zinc/93/11/14/501931114.db2.gz YQABQBXOWWDQIX-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL COc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)cc1C ZINC000478700295 502062096 /nfs/dbraw/zinc/06/20/96/502062096.db2.gz FBSDZOWYZZMVGJ-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CCCOc1c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cccc1OCC ZINC000470260435 502718562 /nfs/dbraw/zinc/71/85/62/502718562.db2.gz CHYNCVYUSAOBGB-MDZDMXLPSA-N -2 3 372.421 3.476 20 0 FGADHL O=C(CSc1n[n-]c(=NCc2ccccc2)s1)Nc1ccccc1[O-] ZINC000514105434 503089162 /nfs/dbraw/zinc/08/91/62/503089162.db2.gz QOYSBCQASUUPPR-UHFFFAOYSA-N -2 3 372.475 3.009 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)ccc1C(=O)[O-] ZINC000507939592 503400042 /nfs/dbraw/zinc/40/00/42/503400042.db2.gz ZPBZHRJUZCOKAS-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL CCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000504713598 503607358 /nfs/dbraw/zinc/60/73/58/503607358.db2.gz XOVILGORNOBFBG-VQHVLOKHSA-N -2 3 372.421 3.476 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c(C(=O)[O-])c1 ZINC000543164440 503653531 /nfs/dbraw/zinc/65/35/31/503653531.db2.gz NYDAMYCETSDYSN-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Cl)c1 ZINC000547577892 504150823 /nfs/dbraw/zinc/15/08/23/504150823.db2.gz SAPMKCQTTBGBNN-UHFFFAOYSA-N -2 3 368.823 3.449 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000538296909 504195173 /nfs/dbraw/zinc/19/51/73/504195173.db2.gz VBIBWQCVTIYBND-UHFFFAOYSA-N -2 3 357.815 3.254 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C1CCC1 ZINC000547910486 504261437 /nfs/dbraw/zinc/26/14/37/504261437.db2.gz NAFBVKGBXIXUMH-CYBMUJFWSA-N -2 3 359.856 3.086 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)CC(=O)[O-] ZINC000547910261 504261712 /nfs/dbraw/zinc/26/17/12/504261712.db2.gz AZDRWIWFHUMRHC-LLVKDONJSA-N -2 3 355.843 3.272 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c1Cl ZINC000547920976 504262840 /nfs/dbraw/zinc/26/28/40/504262840.db2.gz WDAUHNBSTOBABO-LLVKDONJSA-N -2 3 354.255 3.079 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)c1 ZINC000544934972 504304485 /nfs/dbraw/zinc/30/44/85/504304485.db2.gz GIMFCTHZEJTJGK-ZDUSSCGKSA-N -2 3 365.426 3.132 20 0 FGADHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000548202969 504367529 /nfs/dbraw/zinc/36/75/29/504367529.db2.gz DWLYGNHUJUDMNG-CQSZACIVSA-N -2 3 371.817 3.146 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(Cl)cc1F ZINC000548214234 504369959 /nfs/dbraw/zinc/36/99/59/504369959.db2.gz JTGZOAXOYSXZCC-UKRRQHHQSA-N -2 3 363.838 3.099 20 0 FGADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548547868 504481426 /nfs/dbraw/zinc/48/14/26/504481426.db2.gz FGOIOUGLSBADPE-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)CCC(=O)[O-] ZINC000548595925 504488700 /nfs/dbraw/zinc/48/87/00/504488700.db2.gz CFQQUXSFXPRCHO-UHFFFAOYSA-N -2 3 351.827 3.039 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548619210 504498628 /nfs/dbraw/zinc/49/86/28/504498628.db2.gz DEJBBQBYPZNADD-QMMMGPOBSA-N -2 3 371.352 3.012 20 0 FGADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000536221081 504671070 /nfs/dbraw/zinc/67/10/70/504671070.db2.gz YSXDNEQUKHGETQ-UHFFFAOYSA-N -2 3 368.842 3.450 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000555954425 505547756 /nfs/dbraw/zinc/54/77/56/505547756.db2.gz UKZQTEQDFXBUQZ-JTQLQIEISA-N -2 3 353.893 3.351 20 0 FGADHL O=C(N=c1[n-]nc(-c2ccsc2)s1)c1cc(-c2cccs2)[n-]n1 ZINC000590514040 506843950 /nfs/dbraw/zinc/84/39/50/506843950.db2.gz YQKIDQGZXKLLGQ-UHFFFAOYSA-N -2 3 359.461 3.392 20 0 FGADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)c([O-])c1 ZINC000737922355 599848503 /nfs/dbraw/zinc/84/85/03/599848503.db2.gz LEKXSTFFKZEGHG-OAHLLOKOSA-N -2 3 361.419 3.069 20 0 FGADHL COc1ccc([C@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000737956709 599848719 /nfs/dbraw/zinc/84/87/19/599848719.db2.gz BXJFFQBDYOJBAL-AWEZNQCLSA-N -2 3 369.751 3.383 20 0 FGADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000826727032 601234682 /nfs/dbraw/zinc/23/46/82/601234682.db2.gz HATPFVXJOOWSRU-MNOVXSKESA-N -2 3 361.410 3.156 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3ccsc32)c1-c1nnn[n-]1 ZINC000826304165 607684629 /nfs/dbraw/zinc/68/46/29/607684629.db2.gz ZNCCXTRHLDXUEL-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3ccsc32)c1-c1nn[n-]n1 ZINC000826304165 607684631 /nfs/dbraw/zinc/68/46/31/607684631.db2.gz ZNCCXTRHLDXUEL-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000833471386 605015526 /nfs/dbraw/zinc/01/55/26/605015526.db2.gz QUAKTTNUEOFRLJ-LBPRGKRZSA-N -2 3 374.871 3.170 20 0 FGADHL CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000825829692 608762744 /nfs/dbraw/zinc/76/27/44/608762744.db2.gz JBHFBDNAZKTNBG-UHFFFAOYSA-N -2 3 364.192 3.156 20 0 FGADHL CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000825829692 608762745 /nfs/dbraw/zinc/76/27/45/608762745.db2.gz JBHFBDNAZKTNBG-UHFFFAOYSA-N -2 3 364.192 3.156 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c(F)cc1F ZINC000191640685 712840402 /nfs/dbraw/zinc/84/04/02/712840402.db2.gz IAIDSZQXZNCOHJ-UHFFFAOYSA-N -2 3 367.373 3.019 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000324866018 713816760 /nfs/dbraw/zinc/81/67/60/713816760.db2.gz BFQBPMIXTPDFIY-CMDGGOBGSA-N -2 3 367.810 3.459 20 0 FGADHL Cc1cc(Br)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000794711929 723542494 /nfs/dbraw/zinc/54/24/94/723542494.db2.gz GPGWUWJSYCGBPJ-ONEGZZNKSA-N -2 3 363.211 3.359 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)oc1C(=O)[O-] ZINC000663425068 720512222 /nfs/dbraw/zinc/51/22/22/720512222.db2.gz UJIPFPKROMMRSD-UHFFFAOYSA-N -2 3 357.815 3.153 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(Cl)c1F ZINC000767733674 723631733 /nfs/dbraw/zinc/63/17/33/723631733.db2.gz VUISBCVAPUYIPX-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000848877750 731216799 /nfs/dbraw/zinc/21/67/99/731216799.db2.gz VNOJRGOIGXUWCL-SNVBAGLBSA-N -2 3 369.286 3.087 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000094703123 494957173 /nfs/dbraw/zinc/95/71/73/494957173.db2.gz VXXYLRTYAUXEGZ-SECBINFHSA-N -2 3 354.255 3.019 20 0 FGADHL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000576751551 505585661 /nfs/dbraw/zinc/58/56/61/505585661.db2.gz JFVIOOZKSIRLNF-UHFFFAOYSA-N -2 3 363.435 3.292 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1cccc(C)c1C ZINC000576751479 505585723 /nfs/dbraw/zinc/58/57/23/505585723.db2.gz WXNXYEHBEXBSLX-LLVKDONJSA-N -2 3 369.464 3.111 20 0 FGADHL CCCc1nc(=NC(=O)Nc2ccc([O-])c(COC(C)C)c2)s[n-]1 ZINC000574122017 505698593 /nfs/dbraw/zinc/69/85/93/505698593.db2.gz LPINERHZUJNSFB-UHFFFAOYSA-N -2 3 350.444 3.187 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000066290281 494304091 /nfs/dbraw/zinc/30/40/91/494304091.db2.gz WZFCXKNTUCFGIO-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000055311197 494325811 /nfs/dbraw/zinc/32/58/11/494325811.db2.gz RCBNSWIPXDDHEJ-UHFFFAOYSA-N -2 3 350.179 3.394 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(F)(F)F ZINC000120322373 495352045 /nfs/dbraw/zinc/35/20/45/495352045.db2.gz OWTIPJNYJKKJEG-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccccc1OC(F)(F)F ZINC000161307164 496149384 /nfs/dbraw/zinc/14/93/84/496149384.db2.gz VEPVWDACDRIROO-UHFFFAOYSA-N -2 3 351.277 3.231 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1[O-] ZINC000175689409 496501949 /nfs/dbraw/zinc/50/19/49/496501949.db2.gz JXZGDCCZYJSPRK-UHFFFAOYSA-N -2 3 354.815 3.113 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(C)c1C(=O)[O-] ZINC000178954242 496628660 /nfs/dbraw/zinc/62/86/60/496628660.db2.gz WFUXKJDUGPVOBO-UHFFFAOYSA-N -2 3 371.418 3.193 20 0 FGADHL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000572137674 505899139 /nfs/dbraw/zinc/89/91/39/505899139.db2.gz PJABXYXDXYZYSR-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000581408555 505981886 /nfs/dbraw/zinc/98/18/86/505981886.db2.gz STQLDAIGADNSCE-NSHDSACASA-N -2 3 365.854 3.429 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1F ZINC000296860551 498226468 /nfs/dbraw/zinc/22/64/68/498226468.db2.gz GMZSZJPZCVDGAH-VIFPVBQESA-N -2 3 351.346 3.091 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1c(F)ccc([O-])c1F ZINC000575787284 506004273 /nfs/dbraw/zinc/00/42/73/506004273.db2.gz BXMOQLQAVJVFOC-UHFFFAOYSA-N -2 3 358.138 3.069 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(C)c1 ZINC000281993648 498349093 /nfs/dbraw/zinc/34/90/93/498349093.db2.gz VVVWLWHYSPNNGT-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000314101266 498773736 /nfs/dbraw/zinc/77/37/36/498773736.db2.gz BEQYAULRRJOKIC-LLVKDONJSA-N -2 3 368.282 3.388 20 0 FGADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000322203177 498817093 /nfs/dbraw/zinc/81/70/93/498817093.db2.gz RNELNKRQJLHJNN-VHSXEESVSA-N -2 3 363.863 3.150 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325569528 498837683 /nfs/dbraw/zinc/83/76/83/498837683.db2.gz LBVWPTXLLLEQOA-JSGCOSHPSA-N -2 3 365.373 3.017 20 0 FGADHL CCc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([O-])c1 ZINC000372723075 499166351 /nfs/dbraw/zinc/16/63/51/499166351.db2.gz BEWGIZHUQMPDNA-UHFFFAOYSA-N -2 3 353.418 3.395 20 0 FGADHL C[C@@H]1CCCN1C(=O)c1ccc(-c2nc3cc(F)c([O-])cc3c(=O)[n-]2)cc1 ZINC000416409950 500038137 /nfs/dbraw/zinc/03/81/37/500038137.db2.gz DELYAHHRZFGXJI-LLVKDONJSA-N -2 3 367.380 3.472 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424392594 500496391 /nfs/dbraw/zinc/49/63/91/500496391.db2.gz PPVYKXKENBLTML-UHFFFAOYSA-N -2 3 359.831 3.174 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000432682288 500547947 /nfs/dbraw/zinc/54/79/47/500547947.db2.gz RSAGAMRHULULTG-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000570633221 506208220 /nfs/dbraw/zinc/20/82/20/506208220.db2.gz PPMXUKVGSUFJRI-LLVKDONJSA-N -2 3 365.854 3.429 20 0 FGADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000433619788 500722300 /nfs/dbraw/zinc/72/23/00/500722300.db2.gz VIPNSJXZFIMUQR-UHFFFAOYSA-N -2 3 361.419 3.395 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000435727297 501018941 /nfs/dbraw/zinc/01/89/41/501018941.db2.gz VVAYOWKAYFILFN-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=S(=O)(CCc1ccccc1Br)[N-]c1ccccc1[O-] ZINC000461331606 502073381 /nfs/dbraw/zinc/07/33/81/502073381.db2.gz LUFSTZODKBLHKY-UHFFFAOYSA-N -2 3 356.241 3.139 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1F ZINC000489741572 503023622 /nfs/dbraw/zinc/02/36/22/503023622.db2.gz IEMVSEIIEHEOEY-UHFFFAOYSA-N -2 3 365.382 3.114 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506653428 503150565 /nfs/dbraw/zinc/15/05/65/503150565.db2.gz KNFIGPVAOSHIBN-UHFFFAOYSA-N -2 3 365.476 3.400 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)ccc1[O-] ZINC000499508548 503421739 /nfs/dbraw/zinc/42/17/39/503421739.db2.gz WYMIHVMSMLSECJ-UHFFFAOYSA-N -2 3 364.398 3.168 20 0 FGADHL Cc1nc(C=Cc2c(F)cccc2OC(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504713709 503607413 /nfs/dbraw/zinc/60/74/13/503607413.db2.gz YJVPUIMRCKPXTE-AATRIKPKSA-N -2 3 372.274 3.326 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000537195810 503836560 /nfs/dbraw/zinc/83/65/60/503836560.db2.gz YFOSDODVVFXHON-UHFFFAOYSA-N -2 3 363.313 3.100 20 0 FGADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000533953441 504000261 /nfs/dbraw/zinc/00/02/61/504000261.db2.gz QESMVHBGVAPLDA-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1C(=O)[O-] ZINC000534147676 504054731 /nfs/dbraw/zinc/05/47/31/504054731.db2.gz XXOLEECFQPBYCA-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000547545129 504145282 /nfs/dbraw/zinc/14/52/82/504145282.db2.gz DDOIQMXLVBDDGF-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c1Cl ZINC000547940747 504266352 /nfs/dbraw/zinc/26/63/52/504266352.db2.gz YAXDNRGLCYWNCH-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL COc1ccc(CN=c2[n-]nc(CC(C)C)s2)c(Br)c1[O-] ZINC000544877187 504287731 /nfs/dbraw/zinc/28/77/31/504287731.db2.gz QADQBUVCNGTIRX-UHFFFAOYSA-N -2 3 372.288 3.247 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(Br)c(F)c1 ZINC000535053625 504327814 /nfs/dbraw/zinc/32/78/14/504327814.db2.gz HGULYPITHVRSMO-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1CC ZINC000548197774 504366540 /nfs/dbraw/zinc/36/65/40/504366540.db2.gz JTNAQIYAYAWRPJ-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(CC(=O)[O-])C1 ZINC000548211361 504368952 /nfs/dbraw/zinc/36/89/52/504368952.db2.gz HVVLPVHLRXNJKH-MEBBXXQBSA-N -2 3 363.838 3.039 20 0 FGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(CC(=O)[O-])C1 ZINC000548211362 504368998 /nfs/dbraw/zinc/36/89/98/504368998.db2.gz HVVLPVHLRXNJKH-ZUZCIYMTSA-N -2 3 363.838 3.039 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c(Cl)cc1F ZINC000548214233 504370086 /nfs/dbraw/zinc/37/00/86/504370086.db2.gz JTGZOAXOYSXZCC-HIFRSBDPSA-N -2 3 363.838 3.099 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000548214656 504370195 /nfs/dbraw/zinc/37/01/95/504370195.db2.gz QEMQABZWQZODBH-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000548267242 504379028 /nfs/dbraw/zinc/37/90/28/504379028.db2.gz YSVQNBZPNDYCQS-GFCCVEGCSA-N -2 3 357.403 3.048 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000548525951 504478621 /nfs/dbraw/zinc/47/86/21/504478621.db2.gz MSUKVSNSIIUJOP-ZDUSSCGKSA-N -2 3 369.395 3.046 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C(=O)[O-])c1 ZINC000548591815 504487088 /nfs/dbraw/zinc/48/70/88/504487088.db2.gz PQWCCKUIHSLRQL-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-n2nc(C)cc2C)c1 ZINC000539398310 504556193 /nfs/dbraw/zinc/55/61/93/504556193.db2.gz XFKIPNPDSVTDAA-UHFFFAOYSA-N -2 3 373.434 3.004 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000562388097 504803733 /nfs/dbraw/zinc/80/37/33/504803733.db2.gz NEOGKHHNPBYSMP-JTQLQIEISA-N -2 3 354.255 3.161 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3ccccc3)nc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000563857182 505258548 /nfs/dbraw/zinc/25/85/48/505258548.db2.gz UMVZGSDKIWOFDI-VQHVLOKHSA-N -2 3 362.389 3.135 20 0 FGADHL COc1cc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1OC ZINC000583219097 506657366 /nfs/dbraw/zinc/65/73/66/506657366.db2.gz QBPDGPPJOJPQEB-UHFFFAOYSA-N -2 3 361.778 3.003 20 0 FGADHL O=C(N=c1cc2ccccn2[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000584045196 507121165 /nfs/dbraw/zinc/12/11/65/507121165.db2.gz BVYPMAYEQSCDTC-UHFFFAOYSA-N -2 3 366.602 3.130 20 0 FGADHL Cc1cc(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)[n-]c(=O)n1 ZINC000473387441 561049211 /nfs/dbraw/zinc/04/92/11/561049211.db2.gz JKRFYERIMQDILG-UHFFFAOYSA-N -2 3 365.777 3.054 20 0 FGADHL COc1ccc(C=Cc2cc(C(=O)[O-])c3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737082489 599153769 /nfs/dbraw/zinc/15/37/69/599153769.db2.gz VXHIFPPXKNRBJW-SOFGYWHQSA-N -2 3 373.372 3.292 20 0 FGADHL COc1ccc(C=Cc2cc(C(=O)[O-])c3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737082489 599153771 /nfs/dbraw/zinc/15/37/71/599153771.db2.gz VXHIFPPXKNRBJW-SOFGYWHQSA-N -2 3 373.372 3.292 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000737210721 600100188 /nfs/dbraw/zinc/10/01/88/600100188.db2.gz RLHMJQYTMJKVGE-UHFFFAOYSA-N -2 3 368.386 3.424 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000828994328 600758736 /nfs/dbraw/zinc/75/87/36/600758736.db2.gz UKCKDELLIDRNFT-CQSZACIVSA-N -2 3 351.424 3.013 20 0 FGADHL CC1(C)Cc2ccc(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)c([O-])c2O1 ZINC000828081886 600763786 /nfs/dbraw/zinc/76/37/86/600763786.db2.gz DWAHBGAXBVKLEN-CYBMUJFWSA-N -2 3 367.401 3.324 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1Cl ZINC000832973275 600817683 /nfs/dbraw/zinc/81/76/83/600817683.db2.gz UFCGDKJARFOEQT-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094702962 600944635 /nfs/dbraw/zinc/94/46/35/600944635.db2.gz ITIZMJMUOZUXTB-VIFPVBQESA-N -2 3 354.255 3.019 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc(C)c1F ZINC000738477341 601047478 /nfs/dbraw/zinc/04/74/78/601047478.db2.gz WJYYNOPQYIMECJ-UHFFFAOYSA-N -2 3 356.350 3.472 20 0 FGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832993757 601199856 /nfs/dbraw/zinc/19/98/56/601199856.db2.gz AZXPWXJAZATEOX-UHFFFAOYSA-N -2 3 362.361 3.269 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000833027165 601214661 /nfs/dbraw/zinc/21/46/61/601214661.db2.gz DNZSDQDQNYMLOY-LLVKDONJSA-N -2 3 359.403 3.479 20 0 FGADHL CCc1oc(C(=O)[O-])cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000830363576 601412509 /nfs/dbraw/zinc/41/25/09/601412509.db2.gz VAZXJGQVRWSDPK-UHFFFAOYSA-N -2 3 357.406 3.341 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1Cl ZINC000321179392 601828350 /nfs/dbraw/zinc/82/83/50/601828350.db2.gz ZCXLQNDLFOAHQO-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1N(C)C ZINC000832900050 601843827 /nfs/dbraw/zinc/84/38/27/601843827.db2.gz ZMZHNTABRITZPD-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000830704914 603486478 /nfs/dbraw/zinc/48/64/78/603486478.db2.gz SLCWVOIPEJAMHY-UHFFFAOYSA-N -2 3 362.361 3.269 20 0 FGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000826280070 607684858 /nfs/dbraw/zinc/68/48/58/607684858.db2.gz MQZQYOAVETXEOY-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL C/C(=C\COC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)[O-] ZINC000833381219 604654435 /nfs/dbraw/zinc/65/44/35/604654435.db2.gz AIUKBQGOOVAXOX-VQHVLOKHSA-N -2 3 365.183 3.027 20 0 FGADHL O=C([O-])c1ccccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)o1 ZINC000833361435 604676073 /nfs/dbraw/zinc/67/60/73/604676073.db2.gz WWISMAPQWVGSKP-GZTJUZNOSA-N -2 3 359.337 3.455 20 0 FGADHL CC(C)Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833493712 605014206 /nfs/dbraw/zinc/01/42/06/605014206.db2.gz LCLSZYXBRUJPFN-LLVKDONJSA-N -2 3 368.480 3.079 20 0 FGADHL O=C([O-])NCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000834229102 605768092 /nfs/dbraw/zinc/76/80/92/605768092.db2.gz VUCLCSPFBNWVKY-UHFFFAOYSA-N -2 3 357.391 3.265 20 0 FGADHL Cc1cc(O)cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000629330351 716268030 /nfs/dbraw/zinc/26/80/30/716268030.db2.gz CJLRXHQZIDRCDT-UHFFFAOYSA-N -2 3 363.435 3.054 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000629346696 716271112 /nfs/dbraw/zinc/27/11/12/716271112.db2.gz SHSPGTLWEBGMSW-CYBMUJFWSA-N -2 3 369.826 3.296 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1C ZINC000647919226 718386843 /nfs/dbraw/zinc/38/68/43/718386843.db2.gz RVPPCNXTNPNPDE-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000654779524 719231334 /nfs/dbraw/zinc/23/13/34/719231334.db2.gz OFABGGVYSDZZGX-VHSXEESVSA-N -2 3 351.877 3.103 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)oc1C(=O)[O-] ZINC000663423342 720512253 /nfs/dbraw/zinc/51/22/53/720512253.db2.gz SSJLQMKXWLFQLZ-OAHLLOKOSA-N -2 3 367.398 3.245 20 0 FGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000793323884 723425049 /nfs/dbraw/zinc/42/50/49/723425049.db2.gz XZGNKRDGSBHFDB-JTQLQIEISA-N -2 3 365.373 3.018 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)[O-] ZINC000047949029 263406200 /nfs/dbraw/zinc/40/62/00/263406200.db2.gz BWHZSIZQWLFLNJ-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)[O-] ZINC000047949048 493766217 /nfs/dbraw/zinc/76/62/17/493766217.db2.gz VFRTZGYQCALWEB-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C1Nc2ccc(S(=O)(=O)[N-]c3cccc([O-])c3F)c3cccc1c23 ZINC000127898417 495014603 /nfs/dbraw/zinc/01/46/03/495014603.db2.gz PWDPCLJIWMNHMP-UHFFFAOYSA-N -2 3 358.350 3.051 20 0 FGADHL COc1cc(C(=O)[N-]c2n[n-]c(-c3ccco3)n2)sc1Br ZINC000128480224 495103191 /nfs/dbraw/zinc/10/31/91/495103191.db2.gz NRKACSQWZDTGQY-UHFFFAOYSA-N -2 3 369.200 3.150 20 0 FGADHL CCSc1ccc(Cl)cc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000104482352 495286424 /nfs/dbraw/zinc/28/64/24/495286424.db2.gz CCYDNBDVBABKQK-UHFFFAOYSA-N -2 3 374.871 3.205 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1F ZINC000181294632 496343277 /nfs/dbraw/zinc/34/32/77/496343277.db2.gz NFTLTIOGXCKNTN-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)on1 ZINC000185069636 496646676 /nfs/dbraw/zinc/64/66/76/496646676.db2.gz JQEQQDXLGVQBDL-UHFFFAOYSA-N -2 3 366.439 3.063 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)on1 ZINC000185069762 496646760 /nfs/dbraw/zinc/64/67/60/496646760.db2.gz SQFKEKFLJNBIPE-UHFFFAOYSA-N -2 3 366.439 3.063 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1 ZINC000229583162 497098824 /nfs/dbraw/zinc/09/88/24/497098824.db2.gz YRJXUDBHJLBRMZ-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL C[C@H](Sc1n[nH]c(=O)[n-]1)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000194629237 497722681 /nfs/dbraw/zinc/72/26/81/497722681.db2.gz ADXIEIOLAUWUNI-QMMMGPOBSA-N -2 3 371.447 3.329 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000581408554 505981693 /nfs/dbraw/zinc/98/16/93/505981693.db2.gz STQLDAIGADNSCE-LLVKDONJSA-N -2 3 365.854 3.429 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC000572637199 506017413 /nfs/dbraw/zinc/01/74/13/506017413.db2.gz UVLLWCANFHGRAA-SECBINFHSA-N -2 3 359.391 3.092 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)N(C)C3(C(=O)[O-])CCCC3)cc2)cc(=O)[n-]1 ZINC000572917090 506082673 /nfs/dbraw/zinc/08/26/73/506082673.db2.gz QYFOMZVXLDOFAP-UHFFFAOYSA-N -2 3 370.409 3.019 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000317052474 498790740 /nfs/dbraw/zinc/79/07/40/498790740.db2.gz DBIXUYOADFVASI-GXTWGEPZSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317173544 498791374 /nfs/dbraw/zinc/79/13/74/498791374.db2.gz ULLCPNMMEBQFHO-OCCSQVGLSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000318151346 498795060 /nfs/dbraw/zinc/79/50/60/498795060.db2.gz WNEMLTPETYQHSB-FZMZJTMJSA-N -2 3 366.266 3.305 20 0 FGADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000320282888 498805802 /nfs/dbraw/zinc/80/58/02/498805802.db2.gz HHNZVOIGPURAQE-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000321302399 498812152 /nfs/dbraw/zinc/81/21/52/498812152.db2.gz ZLERRHVIHNYUPS-AWEZNQCLSA-N -2 3 374.245 3.140 20 0 FGADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000321981744 498815573 /nfs/dbraw/zinc/81/55/73/498815573.db2.gz JPGDILPUNAQNAE-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000324861958 498830881 /nfs/dbraw/zinc/83/08/81/498830881.db2.gz HANDPAAMKAYLQB-NSHDSACASA-N -2 3 367.389 3.121 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000326444657 498843071 /nfs/dbraw/zinc/84/30/71/498843071.db2.gz VNQFDLFQXJOVNA-UHFFFAOYSA-N -2 3 357.334 3.095 20 0 FGADHL COc1cc2c(cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1)O[C@@H](C)C2 ZINC000570152777 506103321 /nfs/dbraw/zinc/10/33/21/506103321.db2.gz XRGVMDSDGLBAOH-QZPNVGJNSA-N -2 3 370.405 3.010 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c1F ZINC000581979859 506104267 /nfs/dbraw/zinc/10/42/67/506104267.db2.gz QMZKOWFIBYUPKO-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000392090188 499557794 /nfs/dbraw/zinc/55/77/94/499557794.db2.gz BAYNINMCMXYYPN-UHFFFAOYSA-N -2 3 373.858 3.216 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CC(F)(F)F ZINC000402684369 499569711 /nfs/dbraw/zinc/56/97/11/499569711.db2.gz XAULJWIXYMCSQL-MRVPVSSYSA-N -2 3 373.780 3.295 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c(F)c1 ZINC000404982082 499570873 /nfs/dbraw/zinc/57/08/73/499570873.db2.gz PVMPXFJGBVSQIY-HNNXBMFYSA-N -2 3 351.399 3.019 20 0 FGADHL O=C(c1cc2ccccc2cc1[O-])N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000377549875 499703741 /nfs/dbraw/zinc/70/37/41/499703741.db2.gz VNEWRUXWUZYTEO-UHFFFAOYSA-N -2 3 355.419 3.237 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000579369300 506158186 /nfs/dbraw/zinc/15/81/86/506158186.db2.gz HARYPQZVOJHFGB-MJHDQNEOSA-N -2 3 371.867 3.324 20 0 FGADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000579421108 506169044 /nfs/dbraw/zinc/16/90/44/506169044.db2.gz FAEZRXZJKGAJEG-SECBINFHSA-N -2 3 371.402 3.079 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1F ZINC000442248681 500575424 /nfs/dbraw/zinc/57/54/24/500575424.db2.gz ZIRZMIXNKKYPDP-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL COCc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436474933 501133892 /nfs/dbraw/zinc/13/38/92/501133892.db2.gz AKATYIBZWZUNHK-UHFFFAOYSA-N -2 3 361.341 3.358 20 0 FGADHL CO[C@@H](C)c1nc(=NC(=O)CCc2ccc3ccccc3c2[O-])s[n-]1 ZINC000451506123 501308569 /nfs/dbraw/zinc/30/85/69/501308569.db2.gz UFHSUDWGBCJYAZ-NSHDSACASA-N -2 3 357.435 3.098 20 0 FGADHL COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OCCC(=O)[O-] ZINC000485982198 502010673 /nfs/dbraw/zinc/01/06/73/502010673.db2.gz VCLKPVTZHSDYII-KXFIGUGUSA-N -2 3 356.378 3.092 20 0 FGADHL Cc1oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc2c1C ZINC000479528607 502287638 /nfs/dbraw/zinc/28/76/38/502287638.db2.gz JKBVLIKJBGPBPU-UHFFFAOYSA-N -3 3 361.375 3.254 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)c1 ZINC000479562912 502298018 /nfs/dbraw/zinc/29/80/18/502298018.db2.gz LNLSVEAOCVVFLQ-UHFFFAOYSA-N -2 3 351.424 3.205 20 0 FGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1 ZINC000463375883 502775365 /nfs/dbraw/zinc/77/53/65/502775365.db2.gz MZOMMYQXZIPRPA-LBPRGKRZSA-N -2 3 363.435 3.493 20 0 FGADHL O=C([O-])c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000537036360 503784574 /nfs/dbraw/zinc/78/45/74/503784574.db2.gz XWXWCYVMZPLHLP-LBPRGKRZSA-N -2 3 367.448 3.034 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c1 ZINC000540501943 503795652 /nfs/dbraw/zinc/79/56/52/503795652.db2.gz ZBCFKAUUFFYWFI-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000517736361 503821890 /nfs/dbraw/zinc/82/18/90/503821890.db2.gz MUHOYXIKVWPNQJ-UHFFFAOYSA-N -2 3 359.391 3.079 20 0 FGADHL CCCc1n[n-]c(=NCc2ccc(OC)c([O-])c2Br)s1 ZINC000546914697 503924595 /nfs/dbraw/zinc/92/45/95/503924595.db2.gz RPWACBSHRFGMOD-UHFFFAOYSA-N -2 3 358.261 3.001 20 0 FGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)(CC(=O)[O-])C1 ZINC000547571162 504150266 /nfs/dbraw/zinc/15/02/66/504150266.db2.gz RFOPZRBFKVHAAR-ZUZCIYMTSA-N -2 3 363.838 3.039 20 0 FGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547591434 504152700 /nfs/dbraw/zinc/15/27/00/504152700.db2.gz NUXBCSLRWZJJRH-CQSZACIVSA-N -2 3 371.817 3.282 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)c1 ZINC000538298713 504195982 /nfs/dbraw/zinc/19/59/82/504195982.db2.gz QGLSJJJUUNQPBY-UHFFFAOYSA-N -2 3 374.418 3.473 20 0 FGADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000534799103 504244234 /nfs/dbraw/zinc/24/42/34/504244234.db2.gz IGPKSZORWDLUKT-CQSZACIVSA-N -2 3 355.843 3.271 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000547880321 504257353 /nfs/dbraw/zinc/25/73/53/504257353.db2.gz ZFPOJVRLJBRAJQ-HAQNSBGRSA-N -2 3 369.414 3.050 20 0 FGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000547897822 504260513 /nfs/dbraw/zinc/26/05/13/504260513.db2.gz DMRWEQYKRTYVON-SECBINFHSA-N -2 3 368.282 3.409 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)s1 ZINC000547939239 504266369 /nfs/dbraw/zinc/26/63/69/504266369.db2.gz BXOGDFLNCISDJD-LBPRGKRZSA-N -2 3 359.494 3.211 20 0 FGADHL Cc1nc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)[n-]c(=O)c1C ZINC000538517921 504271647 /nfs/dbraw/zinc/27/16/47/504271647.db2.gz CBFXIOLNLBBQKH-UHFFFAOYSA-N -2 3 354.391 3.486 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)CC(=O)[O-] ZINC000548262264 504376338 /nfs/dbraw/zinc/37/63/38/504376338.db2.gz DRHHSMNTBKQCCG-JTQLQIEISA-N -2 3 359.831 3.174 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c1Cl ZINC000548290988 504388029 /nfs/dbraw/zinc/38/80/29/504388029.db2.gz UJFQTUGZXXPRIC-VIFPVBQESA-N -2 3 368.282 3.470 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000548526606 504478100 /nfs/dbraw/zinc/47/81/00/504478100.db2.gz PTEXBMFNGXLALG-LBPRGKRZSA-N -2 3 361.872 3.332 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000548526989 504478396 /nfs/dbraw/zinc/47/83/96/504478396.db2.gz WIAGLPRCKGMMGJ-LBPRGKRZSA-N -2 3 359.831 3.172 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1Cl ZINC000535594563 504480859 /nfs/dbraw/zinc/48/08/59/504480859.db2.gz NKFKTMHKKNIZCG-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4cccc(F)c4)no3)n[n-]2)o1 ZINC000531936064 504480953 /nfs/dbraw/zinc/48/09/53/504480953.db2.gz RZJCQNVUEZYQAG-UHFFFAOYSA-N -2 3 353.313 3.420 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000548591994 504487054 /nfs/dbraw/zinc/48/70/54/504487054.db2.gz KJNUQFUGZHJTKB-SECBINFHSA-N -2 3 359.831 3.174 20 0 FGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000548594764 504488310 /nfs/dbraw/zinc/48/83/10/504488310.db2.gz QTEUKXJKSOOONN-LBPRGKRZSA-N -2 3 371.817 3.016 20 0 FGADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000535766731 504537465 /nfs/dbraw/zinc/53/74/65/504537465.db2.gz AGTUBXGTMLTSFY-UHFFFAOYSA-N -2 3 366.414 3.317 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1cc(C)cc(C)c1 ZINC000567163941 505381867 /nfs/dbraw/zinc/38/18/67/505381867.db2.gz HQGJNFXEZCDYDX-NSHDSACASA-N -2 3 369.464 3.111 20 0 FGADHL Cc1cc(Br)c([O-])c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000567288303 505418612 /nfs/dbraw/zinc/41/86/12/505418612.db2.gz LORTZSWWZRDJFS-UHFFFAOYSA-N -2 3 364.199 3.088 20 0 FGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000583786220 506971623 /nfs/dbraw/zinc/97/16/23/506971623.db2.gz QQECLXJJEFBLEF-UHFFFAOYSA-N -2 3 361.419 3.218 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000644855757 568581668 /nfs/dbraw/zinc/58/16/68/568581668.db2.gz YLKHPKZGQUHHSZ-PWSUYJOCSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@H](CN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000736585074 599715881 /nfs/dbraw/zinc/71/58/81/599715881.db2.gz SFPFZVHGGQAZDT-GFCCVEGCSA-N -2 3 357.435 3.120 20 0 FGADHL O=C([O-])[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000738537893 600037741 /nfs/dbraw/zinc/03/77/41/600037741.db2.gz NIWSNZYXXUKBFW-KRWDZBQOSA-N -2 3 353.418 3.114 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1F ZINC000738655412 600489095 /nfs/dbraw/zinc/48/90/95/600489095.db2.gz SXECWKYMJAOYHU-UHFFFAOYSA-N -2 3 367.398 3.179 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(C)c1C ZINC000738064093 600636627 /nfs/dbraw/zinc/63/66/27/600636627.db2.gz RPIGXBJUIISUSR-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c1Cl ZINC000261626940 601258533 /nfs/dbraw/zinc/25/85/33/601258533.db2.gz CZODFGPWZMELJK-UHFFFAOYSA-N -2 3 354.255 3.224 20 0 FGADHL CCc1cccc(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1[O-] ZINC000830259899 601289445 /nfs/dbraw/zinc/28/94/45/601289445.db2.gz JLHUOUWREYAXHC-AWEZNQCLSA-N -2 3 368.433 3.004 20 0 FGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000829340791 601404382 /nfs/dbraw/zinc/40/43/82/601404382.db2.gz TXJKKSYWNXXNBN-LLVKDONJSA-N -2 3 371.352 3.156 20 0 FGADHL CN(C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)C(=O)[O-] ZINC000739657799 602575267 /nfs/dbraw/zinc/57/52/67/602575267.db2.gz MNHRLEDPBKJRPL-KRWDZBQOSA-N -2 3 368.433 3.055 20 0 FGADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000826103218 604382966 /nfs/dbraw/zinc/38/29/66/604382966.db2.gz OFLNLBWEZKEQLH-SFHVURJKSA-N -2 3 364.401 3.110 20 0 FGADHL O=C([O-])CCc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC000833241082 604735760 /nfs/dbraw/zinc/73/57/60/604735760.db2.gz VMECWGCCCCUQLV-UHFFFAOYSA-N -2 3 361.354 3.207 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000826461533 607916380 /nfs/dbraw/zinc/91/63/80/607916380.db2.gz YQBWUVWWQFTVQP-ALCCZGGFSA-N -2 3 361.336 3.423 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000826461533 607916381 /nfs/dbraw/zinc/91/63/81/607916381.db2.gz YQBWUVWWQFTVQP-ALCCZGGFSA-N -2 3 361.336 3.423 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1C ZINC000032596920 695746871 /nfs/dbraw/zinc/74/68/71/695746871.db2.gz ZOGWGRMFBXJGIR-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182877536 705866817 /nfs/dbraw/zinc/86/68/17/705866817.db2.gz VLHOXVFVBMXULH-UHFFFAOYSA-N -2 3 368.842 3.450 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])sc1Cl ZINC000309811304 713797170 /nfs/dbraw/zinc/79/71/70/713797170.db2.gz WNOLNWVJKWBZCA-NXEZZACHSA-N -2 3 351.877 3.022 20 0 FGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000326726868 713820193 /nfs/dbraw/zinc/82/01/93/713820193.db2.gz GDYHMQAOUSKFCO-UHFFFAOYSA-N -2 3 357.387 3.104 20 0 FGADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000645945182 718253826 /nfs/dbraw/zinc/25/38/26/718253826.db2.gz HYHONZCFZLMXLK-AWEZNQCLSA-N -2 3 355.799 3.061 20 0 FGADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000657143199 719574072 /nfs/dbraw/zinc/57/40/72/719574072.db2.gz SIJKJZQFMZJAML-RNCFNFMXSA-N -2 3 363.838 3.037 20 0 FGADHL CCOc1c(Cl)cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670370044 721532046 /nfs/dbraw/zinc/53/20/46/721532046.db2.gz SSQIZDFNHBKQDL-SNAWJCMRSA-N -2 3 350.758 3.112 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c([O-])c1 ZINC000747616574 722652727 /nfs/dbraw/zinc/65/27/27/722652727.db2.gz FATVHJLBLOFVOD-KTKRTIGZSA-N -2 3 365.382 3.121 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1 ZINC000767734038 723631643 /nfs/dbraw/zinc/63/16/43/723631643.db2.gz BYLYTEIVCLVTEO-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCc2ccccc2)c1 ZINC000768754182 723666395 /nfs/dbraw/zinc/66/63/95/723666395.db2.gz DEGSDZYGGROKBV-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3c([O-])cccc3Cl)cc2)n1 ZINC000769729953 723693353 /nfs/dbraw/zinc/69/33/53/723693353.db2.gz UQVRPKSVNBIZJT-UHFFFAOYSA-N -2 3 355.781 3.357 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2F)c([O-])c1 ZINC000799921817 724113286 /nfs/dbraw/zinc/11/32/86/724113286.db2.gz QKPVEZGMOVJIJG-KTKRTIGZSA-N -2 3 365.382 3.121 20 0 FGADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909494636 744369471 /nfs/dbraw/zinc/36/94/71/744369471.db2.gz CXLCXPVQTWQTJD-AWEZNQCLSA-N -2 3 351.418 3.203 20 0 FGADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000176461825 257365874 /nfs/dbraw/zinc/36/58/74/257365874.db2.gz PKZDERZQEQUVAR-UHFFFAOYSA-N -2 3 369.446 3.109 20 0 FGADHL CCc1[n-][nH]c(=NC(=O)c2cc([O-])c3ccccc3c2)c1Br ZINC000573736128 505607781 /nfs/dbraw/zinc/60/77/81/505607781.db2.gz KBZHBYJRSBBVCP-UHFFFAOYSA-N -2 3 360.211 3.268 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c1 ZINC000568261928 505654959 /nfs/dbraw/zinc/65/49/59/505654959.db2.gz XHLIDFCGPDXSRT-OAHLLOKOSA-N -2 3 351.449 3.266 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(OC(F)(F)F)cc1 ZINC000127881142 495012306 /nfs/dbraw/zinc/01/23/06/495012306.db2.gz DVTDDSOQGXSKEB-UHFFFAOYSA-N -2 3 351.277 3.231 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000129768650 495292831 /nfs/dbraw/zinc/29/28/31/495292831.db2.gz CHWLOTIEZTUCFW-NSHDSACASA-N -2 3 366.247 3.159 20 0 FGADHL CC[C@](C)([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1nc(C)cs1 ZINC000577846048 505803364 /nfs/dbraw/zinc/80/33/64/505803364.db2.gz VKZBOZUAKINYRU-AWEZNQCLSA-N -2 3 374.509 3.123 20 0 FGADHL C[C@@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)c2c([O-])cccc21 ZINC000274411680 497092135 /nfs/dbraw/zinc/09/21/35/497092135.db2.gz VQWDPYRHTSCXMA-MRVPVSSYSA-N -2 3 353.494 3.165 20 0 FGADHL CCC[C@](C)([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000572479903 505979232 /nfs/dbraw/zinc/97/92/32/505979232.db2.gz PMMDZHOZIBTQSO-AWEZNQCLSA-N -2 3 374.509 3.102 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000321877177 498815208 /nfs/dbraw/zinc/81/52/08/498815208.db2.gz IQWSECIBXRQXBZ-GFCCVEGCSA-N -2 3 373.780 3.138 20 0 FGADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1cc(-c2cccnc2)on1 ZINC000363429157 498817622 /nfs/dbraw/zinc/81/76/22/498817622.db2.gz IDLQCVMHCTTXEQ-UHFFFAOYSA-N -2 3 368.303 3.052 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000582136899 506142025 /nfs/dbraw/zinc/14/20/25/506142025.db2.gz KJHYCWAQNMEIPZ-GOSISDBHSA-N -2 3 373.405 3.392 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000390425541 499554129 /nfs/dbraw/zinc/55/41/29/499554129.db2.gz QGLQJEWPMJNUOZ-SNVBAGLBSA-N -2 3 373.780 3.281 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000399440794 499568315 /nfs/dbraw/zinc/56/83/15/499568315.db2.gz KTTWOXMRKXRYTR-GZMMTYOYSA-N -2 3 354.255 3.017 20 0 FGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000421148142 499971716 /nfs/dbraw/zinc/97/17/16/499971716.db2.gz GOLATLRKFGXCMV-LLVKDONJSA-N -2 3 363.863 3.149 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000432754586 500558195 /nfs/dbraw/zinc/55/81/95/500558195.db2.gz LRTSLECXFMWIRG-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000435981807 501053809 /nfs/dbraw/zinc/05/38/09/501053809.db2.gz WAMGYCVCKIHZNC-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL O=c1[n-]c(-c2csc(I)c2)nc2ccc([O-])cc12 ZINC000446155811 501083527 /nfs/dbraw/zinc/08/35/27/501083527.db2.gz JABBMTWRXMVVAF-UHFFFAOYSA-N -2 3 370.171 3.374 20 0 FGADHL Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000436884916 501227351 /nfs/dbraw/zinc/22/73/51/501227351.db2.gz BEUBWBOYEDXCAV-UHFFFAOYSA-N -2 3 365.798 3.205 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ncc(C)cc3[O-])c2)n1 ZINC000460190496 501754778 /nfs/dbraw/zinc/75/47/78/501754778.db2.gz QABBOPCDPYAULI-UHFFFAOYSA-N -2 3 350.378 3.073 20 0 FGADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)[O-] ZINC000463779774 501820080 /nfs/dbraw/zinc/82/00/80/501820080.db2.gz VPLNWUAPWRLZLY-CQSZACIVSA-N -2 3 363.435 3.149 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481947208 501926397 /nfs/dbraw/zinc/92/63/97/501926397.db2.gz MRXQLLRIBBNPFC-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c1 ZINC000478592825 502027656 /nfs/dbraw/zinc/02/76/56/502027656.db2.gz NWUZURJSLGJKFL-UHFFFAOYSA-N -2 3 363.410 3.188 20 0 FGADHL C[C@@H](C(=O)Nc1ccc(F)cc1[O-])[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000478864002 502106905 /nfs/dbraw/zinc/10/69/05/502106905.db2.gz KXJPDEAJRYDBFY-AOOOYVTPSA-N -2 3 364.348 3.225 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3ccccc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000470260266 502719167 /nfs/dbraw/zinc/71/91/67/502719167.db2.gz AKHKYPPJNDIWNN-BQYQJAHWSA-N -2 3 353.403 3.412 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000582644210 506342559 /nfs/dbraw/zinc/34/25/59/506342559.db2.gz JKADTQMXRYTVKR-HDJSIYSDSA-N -2 3 363.410 3.057 20 0 FGADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506633676 503146676 /nfs/dbraw/zinc/14/66/76/503146676.db2.gz POTFPFYMPSQGEK-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000543165773 503654335 /nfs/dbraw/zinc/65/43/35/503654335.db2.gz HWHATFRRLOUCEG-UHFFFAOYSA-N -2 3 362.382 3.437 20 0 FGADHL O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cc(F)ccc1[O-] ZINC000543166798 503654422 /nfs/dbraw/zinc/65/44/22/503654422.db2.gz TXDHRXVBIVEWFX-UHFFFAOYSA-N -2 3 366.345 3.267 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c1 ZINC000540498761 503793652 /nfs/dbraw/zinc/79/36/52/503793652.db2.gz MTDYQCMYKTZRRD-UHFFFAOYSA-N -2 3 362.407 3.466 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)c1 ZINC000540498970 503795105 /nfs/dbraw/zinc/79/51/05/503795105.db2.gz UZYXSUGTZXOYFO-UHFFFAOYSA-N -2 3 351.424 3.379 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c1 ZINC000537196357 503837291 /nfs/dbraw/zinc/83/72/91/503837291.db2.gz KRTUUXQROXIHNJ-UHFFFAOYSA-N -2 3 359.350 3.111 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(OCC(F)(F)F)cc1 ZINC000534318208 504108524 /nfs/dbraw/zinc/10/85/24/504108524.db2.gz HJQMRUHIYIFVTG-UHFFFAOYSA-N -2 3 365.304 3.273 20 0 FGADHL CSc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1C ZINC000538090757 504130651 /nfs/dbraw/zinc/13/06/51/504130651.db2.gz QURONZZUDOBCNB-UHFFFAOYSA-N -2 3 366.464 3.182 20 0 FGADHL N#CC1(CS(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)CCCCC1 ZINC000547546148 504145059 /nfs/dbraw/zinc/14/50/59/504145059.db2.gz SXRWFINIVUSHTQ-UHFFFAOYSA-N -2 3 364.467 3.310 20 0 FGADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000547547024 504146254 /nfs/dbraw/zinc/14/62/54/504146254.db2.gz JSWGKYKTMAVXML-UHFFFAOYSA-N -2 3 371.201 3.364 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)c(C(=O)[O-])c1 ZINC000547550492 504146649 /nfs/dbraw/zinc/14/66/49/504146649.db2.gz JUUSTTMKLPEJQQ-UHFFFAOYSA-N -2 3 360.391 3.030 20 0 FGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000547897823 504260253 /nfs/dbraw/zinc/26/02/53/504260253.db2.gz DMRWEQYKRTYVON-VIFPVBQESA-N -2 3 368.282 3.409 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547937798 504265857 /nfs/dbraw/zinc/26/58/57/504265857.db2.gz FSPHNHFBXZDWQL-VHSXEESVSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccsc1 ZINC000548196327 504366922 /nfs/dbraw/zinc/36/69/22/504366922.db2.gz HBDNTXFCZLBDBT-NSHDSACASA-N -2 3 363.819 3.035 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000548214672 504370161 /nfs/dbraw/zinc/37/01/61/504370161.db2.gz QSBODDHOTLJCEZ-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000548553512 504481552 /nfs/dbraw/zinc/48/15/52/504481552.db2.gz BCASHQSZDPUMCV-UHFFFAOYSA-N -2 3 371.361 3.253 20 0 FGADHL C[C@@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000548565842 504483069 /nfs/dbraw/zinc/48/30/69/504483069.db2.gz RXXIVHGPZNAKMZ-YGRLFVJLSA-N -2 3 371.817 3.219 20 0 FGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000559315298 504830626 /nfs/dbraw/zinc/83/06/26/504830626.db2.gz CAQPQVDUTOINAB-SECBINFHSA-N -2 3 368.282 3.409 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2csc3ccccc23)c1 ZINC000551310540 505198379 /nfs/dbraw/zinc/19/83/79/505198379.db2.gz CABKYGZWOOWBGL-UHFFFAOYSA-N -2 3 367.473 3.182 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000567896253 505570342 /nfs/dbraw/zinc/57/03/42/505570342.db2.gz VISMSEBTTWOMTC-IJLUTSLNSA-N -2 3 373.496 3.092 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])sc1Cl ZINC000583306880 506707675 /nfs/dbraw/zinc/70/76/75/506707675.db2.gz JVPDIIOVERTQHK-WDEREUQCSA-N -2 3 365.904 3.412 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1OCC(=O)[O-] ZINC000590264886 506776974 /nfs/dbraw/zinc/77/69/74/506776974.db2.gz SFKCERMPUITIGI-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(=O)[O-])cc3)c2)n1 ZINC000820949160 598160293 /nfs/dbraw/zinc/16/02/93/598160293.db2.gz AQKBYVDNOVLSCX-UHFFFAOYSA-N -2 3 350.330 3.075 20 0 FGADHL C[C@@H](CN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000736585075 599715812 /nfs/dbraw/zinc/71/58/12/599715812.db2.gz SFPFZVHGGQAZDT-LBPRGKRZSA-N -2 3 357.435 3.120 20 0 FGADHL O=C([O-])Nc1cccc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000740034267 599931248 /nfs/dbraw/zinc/93/12/48/599931248.db2.gz UNQKYPXAYWKZDK-UHFFFAOYSA-N -2 3 351.156 3.497 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737209915 600100387 /nfs/dbraw/zinc/10/03/87/600100387.db2.gz CKHHJBQFHOCOKR-UHFFFAOYSA-N -2 3 354.359 3.115 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1C(=O)[O-] ZINC000738744759 600103600 /nfs/dbraw/zinc/10/36/00/600103600.db2.gz NOASUELVLZRMFV-UHFFFAOYSA-N -2 3 374.462 3.484 20 0 FGADHL CCc1cc2c(CNc3ccc(CNC(=O)[O-])cc3)cc(=O)oc2cc1[O-] ZINC000737252683 600327255 /nfs/dbraw/zinc/32/72/55/600327255.db2.gz PLMWIEVRUIFVBD-UHFFFAOYSA-N -2 3 368.389 3.441 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](C)c1ccccc1 ZINC000827760506 601240150 /nfs/dbraw/zinc/24/01/50/601240150.db2.gz LCHZVGPFZYUYMP-GHMZBOCLSA-N -2 3 369.389 3.134 20 0 FGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832935447 602321949 /nfs/dbraw/zinc/32/19/49/602321949.db2.gz PSISSNQWOWZGEC-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL CC1=C(C(=O)[O-])[C@@H](c2ccc([O-])c(F)c2)NC(=O)N1Cc1cccs1 ZINC000833576922 604556657 /nfs/dbraw/zinc/55/66/57/604556657.db2.gz LYGDUUFREPDYSW-OAHLLOKOSA-N -2 3 362.382 3.218 20 0 FGADHL Cc1ccc(-c2nc(NC(=O)CC[C@H](NC(=O)[O-])c3ccccc3)n[n-]2)o1 ZINC000830161323 604585221 /nfs/dbraw/zinc/58/52/21/604585221.db2.gz YPTNUDRGDQOOLQ-ZDUSSCGKSA-N -2 3 369.381 3.101 20 0 FGADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3cncc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000833758337 605016743 /nfs/dbraw/zinc/01/67/43/605016743.db2.gz DINTXGNGHOLFIU-MRVPVSSYSA-N -2 3 373.390 3.025 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000833733583 605168556 /nfs/dbraw/zinc/16/85/56/605168556.db2.gz VIDUBKUCGKWLEP-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccc(C(F)(F)F)nc1Cl ZINC000193471681 712892502 /nfs/dbraw/zinc/89/25/02/712892502.db2.gz DTFWUHSZZZQFKF-UHFFFAOYSA-N -2 3 367.718 3.454 20 0 FGADHL Cc1cc(F)c(C(=O)[O-])c([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)c1 ZINC000663293646 720498060 /nfs/dbraw/zinc/49/80/60/720498060.db2.gz DILAUJDTBYABBY-SECBINFHSA-N -2 3 351.346 3.009 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC000678479659 721960150 /nfs/dbraw/zinc/96/01/50/721960150.db2.gz ZDWARIVLEMQIIC-UHFFFAOYSA-N -2 3 361.419 3.462 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Cl)cc1F ZINC000906895506 744169353 /nfs/dbraw/zinc/16/93/53/744169353.db2.gz VZJXGSKHUFIYBE-ZETCQYMHSA-N -2 3 371.764 3.034 20 0 FGADHL CCC[C@H](C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000567999202 505593565 /nfs/dbraw/zinc/59/35/65/505593565.db2.gz LGPAKKCPQZQQCB-QMMMGPOBSA-N -2 3 355.334 3.214 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1C(=O)[O-] ZINC000047949074 493766003 /nfs/dbraw/zinc/76/60/03/493766003.db2.gz POHJPNRMHGBJLQ-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCc2cccc3ccccc32)c1 ZINC000008029887 494061631 /nfs/dbraw/zinc/06/16/31/494061631.db2.gz LLGRMRCIFDEWIZ-UHFFFAOYSA-N -2 3 373.405 3.198 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1C(=O)[O-] ZINC000042792196 494244177 /nfs/dbraw/zinc/24/41/77/494244177.db2.gz AFVNWMWHELVHBO-UHFFFAOYSA-N -2 3 363.391 3.001 20 0 FGADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000131508638 494644063 /nfs/dbraw/zinc/64/40/63/494644063.db2.gz AIPROLMZIRQYGK-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]nc(C2CCOCC2)s1 ZINC000568683832 505751863 /nfs/dbraw/zinc/75/18/63/505751863.db2.gz RMUOIABAAOVCKZ-UHFFFAOYSA-N -2 3 361.467 3.244 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Br)cc1F ZINC000133631732 495039012 /nfs/dbraw/zinc/03/90/12/495039012.db2.gz KYTGMSDSIUFNNS-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000574747527 505846806 /nfs/dbraw/zinc/84/68/06/505846806.db2.gz GPHVWZLZEBPUIK-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ncoc1-c1ccccc1Cl ZINC000173200711 496590049 /nfs/dbraw/zinc/59/00/49/496590049.db2.gz BCRHTKFXJUEGMA-UHFFFAOYSA-N -2 3 357.679 3.384 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nc(C(C)(C)C)cs1 ZINC000185010459 496621716 /nfs/dbraw/zinc/62/17/16/496621716.db2.gz JYSIZCYGPIVNDI-QMMMGPOBSA-N -2 3 374.509 3.240 20 0 FGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000229583189 497099572 /nfs/dbraw/zinc/09/95/72/497099572.db2.gz MYDYGDURRUWHHM-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000230350759 497104775 /nfs/dbraw/zinc/10/47/75/497104775.db2.gz KRSWPLLRQNUAQQ-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1ccc(NC(=O)c2ccc(I)c([O-])c2)c([O-])c1 ZINC000230886005 497106666 /nfs/dbraw/zinc/10/66/66/497106666.db2.gz HNIACTOKWQDMGX-UHFFFAOYSA-N -2 3 369.158 3.263 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])sc1Cl ZINC000231807898 497110650 /nfs/dbraw/zinc/11/06/50/497110650.db2.gz HLSGERVIRBOMHZ-ZANVPECISA-N -2 3 351.877 3.022 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000578503194 505956211 /nfs/dbraw/zinc/95/62/11/505956211.db2.gz LSEIWUXBECRIDP-MRVPVSSYSA-N -2 3 372.468 3.080 20 0 FGADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000572479904 505979257 /nfs/dbraw/zinc/97/92/57/505979257.db2.gz PMMDZHOZIBTQSO-CQSZACIVSA-N -2 3 374.509 3.102 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000579071398 506086914 /nfs/dbraw/zinc/08/69/14/506086914.db2.gz KZSYTRCJKAZTJQ-NSHDSACASA-N -2 3 365.854 3.429 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000314331769 498776090 /nfs/dbraw/zinc/77/60/90/498776090.db2.gz LOLJFDXDZAZWEE-LBPRGKRZSA-N -2 3 360.218 3.098 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000321304662 498812413 /nfs/dbraw/zinc/81/24/13/498812413.db2.gz ZRBYLNUCTHMTIZ-LBPRGKRZSA-N -2 3 374.245 3.140 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000323923570 498824878 /nfs/dbraw/zinc/82/48/78/498824878.db2.gz WDTJMGOUNJHUBM-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000324084354 498825802 /nfs/dbraw/zinc/82/58/02/498825802.db2.gz ZLGUHUMLCSYJCC-UHFFFAOYSA-N -2 3 373.780 3.138 20 0 FGADHL O=C([O-])c1ccccc1OCCN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000363885452 499040036 /nfs/dbraw/zinc/04/00/36/499040036.db2.gz HETAJWGXKABMII-UHFFFAOYSA-N -2 3 369.417 3.341 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000386929997 499549449 /nfs/dbraw/zinc/54/94/49/499549449.db2.gz REVKHIMQWIGYIZ-CYBMUJFWSA-N -2 3 373.858 3.048 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000390680995 499555170 /nfs/dbraw/zinc/55/51/70/499555170.db2.gz UCRBHZMXRHTQLV-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000399463960 499568228 /nfs/dbraw/zinc/56/82/28/499568228.db2.gz QYJSTWVEEFLBKH-PRHODGIISA-N -2 3 354.255 3.017 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc([O-])c(F)cc3F)ccc2O1 ZINC000414395897 499786259 /nfs/dbraw/zinc/78/62/59/499786259.db2.gz NMHFYYOVCOJTDG-UHFFFAOYSA-N -2 3 355.362 3.185 20 0 FGADHL O=C(NCc1ncccc1[O-])c1cc(OCc2ccccc2)ccc1[O-] ZINC000436996973 500589777 /nfs/dbraw/zinc/58/97/77/500589777.db2.gz DSAKIRHTBYYHIS-UHFFFAOYSA-N -2 3 350.374 3.002 20 0 FGADHL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000442839861 500633493 /nfs/dbraw/zinc/63/34/93/500633493.db2.gz YQBCOHFRJJSRGT-KRWDZBQOSA-N -2 3 363.391 3.083 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(OC(F)F)c(F)c1 ZINC000447796758 500663398 /nfs/dbraw/zinc/66/33/98/500663398.db2.gz YPGYHGKPTWDRGB-UHFFFAOYSA-N -2 3 351.277 3.073 20 0 FGADHL CC(C)C[C@H](CN(C)C(=O)c1ccccc1[O-])NC(=O)c1ccccc1[O-] ZINC000436603576 501167820 /nfs/dbraw/zinc/16/78/20/501167820.db2.gz LYLORCYYVIAJAW-OAHLLOKOSA-N -2 3 370.449 3.015 20 0 FGADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2cccc3ccccc32)c1 ZINC000436717343 501195567 /nfs/dbraw/zinc/19/55/67/501195567.db2.gz BUYKFMQROUOTNZ-UHFFFAOYSA-N -2 3 371.414 3.377 20 0 FGADHL COc1cccc(-c2nc(C(=O)[N-]c3cc(Cl)c([O-])cc3F)no2)c1 ZINC000436769331 501208897 /nfs/dbraw/zinc/20/88/97/501208897.db2.gz ICYCNJFJLNRDPM-UHFFFAOYSA-N -2 3 363.732 3.496 20 0 FGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1 ZINC000474307522 501784511 /nfs/dbraw/zinc/78/45/11/501784511.db2.gz AGMDDCJMPXISTH-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000479267126 502211108 /nfs/dbraw/zinc/21/11/08/502211108.db2.gz PJNSFNKZBVSCIK-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1nc(C=Cc2cc(Br)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000470265355 502719799 /nfs/dbraw/zinc/71/97/99/502719799.db2.gz FGKWMYSXZNESOX-NSCUHMNNSA-N -2 3 355.213 3.112 20 0 FGADHL Cc1nc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470264970 502720104 /nfs/dbraw/zinc/72/01/04/502720104.db2.gz SIMSQJXIMGWGGV-UQCOIBPSSA-N -2 3 370.796 3.127 20 0 FGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000485066820 502812543 /nfs/dbraw/zinc/81/25/43/502812543.db2.gz VKZYFTYIUQNBLK-LLVKDONJSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1nc(C=Cc2cccc(OC(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710447 503607568 /nfs/dbraw/zinc/60/75/68/503607568.db2.gz BPNNIUSOIKIJKU-AATRIKPKSA-N -2 3 354.284 3.187 20 0 FGADHL Cc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)c1 ZINC000504729934 503609163 /nfs/dbraw/zinc/60/91/63/503609163.db2.gz LBHIQTFXFSGQKT-AATRIKPKSA-N -2 3 363.211 3.359 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c1 ZINC000540497339 503793130 /nfs/dbraw/zinc/79/31/30/503793130.db2.gz NZIWKQSYHYCLHA-UHFFFAOYSA-N -2 3 351.424 3.236 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2C)c1 ZINC000546957260 503937831 /nfs/dbraw/zinc/93/78/31/503937831.db2.gz APEGVDPOFABVJE-APPDUMDISA-N -2 3 363.410 3.044 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000530368994 503939312 /nfs/dbraw/zinc/93/93/12/503939312.db2.gz CGFZNRIQYFVKFL-SMDDNHRTSA-N -2 3 369.439 3.200 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000547545104 504145518 /nfs/dbraw/zinc/14/55/18/504145518.db2.gz NXAFTCIZVJIIBP-CQSZACIVSA-N -2 3 371.455 3.289 20 0 FGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000547938295 504265703 /nfs/dbraw/zinc/26/57/03/504265703.db2.gz PSUABTVXLWMITI-CMPLNLGQSA-N -2 3 367.389 3.263 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000547964610 504275621 /nfs/dbraw/zinc/27/56/21/504275621.db2.gz FAZHMYDHHGRTDK-MRVPVSSYSA-N -2 3 354.255 3.161 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2noc3ccccc32)ccc1Cl ZINC000548198181 504366594 /nfs/dbraw/zinc/36/65/94/504366594.db2.gz BEIBZVPNQQUENP-UHFFFAOYSA-N -2 3 366.782 3.121 20 0 FGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)(CC(=O)[O-])C1 ZINC000548229823 504372634 /nfs/dbraw/zinc/37/26/34/504372634.db2.gz ZYIJYGPCVCJNJC-BONVTDFDSA-N -2 3 363.838 3.039 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1Cl ZINC000548445523 504449015 /nfs/dbraw/zinc/44/90/15/504449015.db2.gz CILOMHCRNJAJLQ-UHFFFAOYSA-N -2 3 354.255 3.225 20 0 FGADHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000548565839 504483286 /nfs/dbraw/zinc/48/32/86/504483286.db2.gz RXXIVHGPZNAKMZ-HZMBPMFUSA-N -2 3 371.817 3.219 20 0 FGADHL CSc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000548876047 504601794 /nfs/dbraw/zinc/60/17/94/504601794.db2.gz KHPNULMATRQEDQ-UHFFFAOYSA-N -2 3 359.375 3.186 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cc(Cl)cc(Cl)c1 ZINC000557381829 505121684 /nfs/dbraw/zinc/12/16/84/505121684.db2.gz ONYMGLQSWCCMHI-GFCCVEGCSA-N -2 3 364.206 3.081 20 0 FGADHL CO[C@H](C)c1nc(=NC(=O)c2cn[n-]c2-c2cc3ccccc3o2)s[n-]1 ZINC000559057065 505559087 /nfs/dbraw/zinc/55/90/87/505559087.db2.gz ZYDGPONTBCLMME-SECBINFHSA-N -2 3 369.406 3.056 20 0 FGADHL CO[C@H](C)c1nc(=NC(=O)c2c[n-]nc2-c2cc3ccccc3o2)s[n-]1 ZINC000559057065 505559090 /nfs/dbraw/zinc/55/90/90/505559090.db2.gz ZYDGPONTBCLMME-SECBINFHSA-N -2 3 369.406 3.056 20 0 FGADHL O=C(N=c1nc(Sc2ccccc2)[n-]s1)c1cc(-c2ccco2)n[n-]1 ZINC000600181035 506826205 /nfs/dbraw/zinc/82/62/05/506826205.db2.gz XGLOUFJQXVGUJK-UHFFFAOYSA-N -2 3 369.431 3.347 20 0 FGADHL O=C(N=c1nc(Sc2ccccc2)[n-]s1)c1cc(-c2ccco2)[n-]n1 ZINC000600181035 506826211 /nfs/dbraw/zinc/82/62/11/506826211.db2.gz XGLOUFJQXVGUJK-UHFFFAOYSA-N -2 3 369.431 3.347 20 0 FGADHL Cc1cc(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)[n-]c(=O)n1 ZINC000478766974 561174340 /nfs/dbraw/zinc/17/43/40/561174340.db2.gz XFIIFIKSCKNCLS-UHFFFAOYSA-N -2 3 365.777 3.054 20 0 FGADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737287089 598356358 /nfs/dbraw/zinc/35/63/58/598356358.db2.gz BPQQNPLEXWTYKA-LJQANCHMSA-N -2 3 371.441 3.175 20 0 FGADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737287089 598356360 /nfs/dbraw/zinc/35/63/60/598356360.db2.gz BPQQNPLEXWTYKA-LJQANCHMSA-N -2 3 371.441 3.175 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000740175126 599778321 /nfs/dbraw/zinc/77/83/21/599778321.db2.gz GMBRYLGVOIWGMR-HUUCEWRRSA-N -2 3 363.435 3.058 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000738655279 599926793 /nfs/dbraw/zinc/92/67/93/599926793.db2.gz OOHGHLMPIXCQSB-UHFFFAOYSA-N -2 3 365.476 3.422 20 0 FGADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736454844 600302029 /nfs/dbraw/zinc/30/20/29/600302029.db2.gz YAODCSREZSCXMF-UHFFFAOYSA-N -2 3 362.451 3.454 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000327473325 600994176 /nfs/dbraw/zinc/99/41/76/600994176.db2.gz KEPZTSPIZVSJRJ-LLVKDONJSA-N -2 3 369.389 3.135 20 0 FGADHL O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833180890 601093887 /nfs/dbraw/zinc/09/38/87/601093887.db2.gz XSTACRAQDGOXEI-KSSFIOAISA-N -2 3 368.433 3.024 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000326778207 601324214 /nfs/dbraw/zinc/32/42/14/601324214.db2.gz AATOFGBHWRJBKE-LFYBBSHMSA-N -2 3 361.419 3.372 20 0 FGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000048382848 601325462 /nfs/dbraw/zinc/32/54/62/601325462.db2.gz DDPGFFYIIKEMOM-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000048382884 601325793 /nfs/dbraw/zinc/32/57/93/601325793.db2.gz KDVRXWTVQNOSHI-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCc1[nH]c(C(=O)Nc2cc(Br)ccc2[O-])c(C)c1C(=O)[O-] ZINC000830197389 601335824 /nfs/dbraw/zinc/33/58/24/601335824.db2.gz UCLZGIKRYOTKGK-UHFFFAOYSA-N -2 3 367.199 3.304 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000751146497 601836806 /nfs/dbraw/zinc/83/68/06/601836806.db2.gz UMVYDIGFTPBYOT-UHFFFAOYSA-N -2 3 371.361 3.171 20 0 FGADHL CCN(Cc1ccccc1NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000739445878 602450535 /nfs/dbraw/zinc/45/05/35/602450535.db2.gz SIRQXZIGRAWBHP-UHFFFAOYSA-N -2 3 366.377 3.088 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)c1 ZINC000739857610 602645380 /nfs/dbraw/zinc/64/53/80/602645380.db2.gz TYISFNNMJDVQQH-UHFFFAOYSA-N -2 3 350.396 3.203 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC[C@H]3CNC(=O)[O-])nc2)n1 ZINC000827556866 603199190 /nfs/dbraw/zinc/19/91/90/603199190.db2.gz OCDJDIYCVAATTD-SWLSCSKDSA-N -2 3 371.441 3.045 20 0 FGADHL C/C(=C/COC(=O)c1n[n-]c(-c2ccccc2)c1Br)C(=O)[O-] ZINC000833381217 604654443 /nfs/dbraw/zinc/65/44/43/604654443.db2.gz AIUKBQGOOVAXOX-CLFYSBASSA-N -2 3 365.183 3.027 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833507066 604744947 /nfs/dbraw/zinc/74/49/47/604744947.db2.gz YWLININWHHOLEZ-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C(=O)[O-])c3ccccc3)nc2)n1 ZINC000830209056 604804268 /nfs/dbraw/zinc/80/42/68/604804268.db2.gz FAXUTXRZWVGNIU-MRXNPFEDSA-N -2 3 364.405 3.087 20 0 FGADHL O=C([O-])CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC000826461415 608878036 /nfs/dbraw/zinc/87/80/36/608878036.db2.gz UHIGZHHTINDSAA-YRNVUSSQSA-N -2 3 365.324 3.162 20 0 FGADHL O=C([O-])CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC000826461415 608878037 /nfs/dbraw/zinc/87/80/37/608878037.db2.gz UHIGZHHTINDSAA-YRNVUSSQSA-N -2 3 365.324 3.162 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(SC)cc2)c(C(=O)[O-])c1 ZINC000680531014 722128678 /nfs/dbraw/zinc/12/86/78/722128678.db2.gz KCDZJBDFMLDKIF-UHFFFAOYSA-N -2 3 367.448 3.225 20 0 FGADHL CCOc1cc(C(=O)n2[n-]c(=O)c3ccc(OC)cc32)cc(Cl)c1[O-] ZINC000819946932 728956236 /nfs/dbraw/zinc/95/62/36/728956236.db2.gz UGWMNWGPVDRZMD-UHFFFAOYSA-N -2 3 362.769 3.197 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2cccc3cccnc32)c1F ZINC000576771671 505590335 /nfs/dbraw/zinc/59/03/35/505590335.db2.gz XGQUAQAZJLRLTC-UHFFFAOYSA-N -2 3 360.366 3.014 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000029047978 493812257 /nfs/dbraw/zinc/81/22/57/493812257.db2.gz XZTNXKBLNAQSGK-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000076195295 493840513 /nfs/dbraw/zinc/84/05/13/493840513.db2.gz RQPZAFCQIDNFNE-UHFFFAOYSA-N -2 3 357.790 3.297 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000063345124 494047321 /nfs/dbraw/zinc/04/73/21/494047321.db2.gz ZRZYCRSXIVCROQ-UHFFFAOYSA-N -2 3 369.826 3.167 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000078743276 494353516 /nfs/dbraw/zinc/35/35/16/494353516.db2.gz AMSNLUGDHLVCEP-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(C)n1c([C@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)n[n-]c1=S ZINC000080027464 494572872 /nfs/dbraw/zinc/57/28/72/494572872.db2.gz QLMRGWMRZDNHRS-NSHDSACASA-N -2 3 364.446 3.386 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)sc1Br ZINC000131427466 494615914 /nfs/dbraw/zinc/61/59/14/494615914.db2.gz PLNVVFJQJQPXBJ-UHFFFAOYSA-N -2 3 366.233 3.465 20 0 FGADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000047906621 494792440 /nfs/dbraw/zinc/79/24/40/494792440.db2.gz OVRZWFSONBZJIJ-UHFFFAOYSA-N -2 3 363.435 3.248 20 0 FGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000580504651 505773939 /nfs/dbraw/zinc/77/39/39/505773939.db2.gz DJODRNHNLDOYHZ-CYBMUJFWSA-N -2 3 363.435 3.292 20 0 FGADHL COc1nc([N-]C(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)n[n-]1 ZINC000179375112 495566979 /nfs/dbraw/zinc/56/69/79/495566979.db2.gz YSFSPXCXTSTZMQ-UHFFFAOYSA-N -2 3 368.180 3.336 20 0 FGADHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000160786026 496042070 /nfs/dbraw/zinc/04/20/70/496042070.db2.gz ILXAQZHCQLHDJC-UHFFFAOYSA-N -2 3 364.192 3.055 20 0 FGADHL O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000160786026 496042074 /nfs/dbraw/zinc/04/20/74/496042074.db2.gz ILXAQZHCQLHDJC-UHFFFAOYSA-N -2 3 364.192 3.055 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1[O-] ZINC000175687973 496500895 /nfs/dbraw/zinc/50/08/95/496500895.db2.gz IDHNEBIDMDESDJ-UHFFFAOYSA-N -2 3 354.815 3.113 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)n[n-]2)o1 ZINC000181875894 496581585 /nfs/dbraw/zinc/58/15/85/496581585.db2.gz MZIAVSNEJZHDTP-UHFFFAOYSA-N -2 3 369.377 3.474 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)[n-]n2)o1 ZINC000181875894 496581589 /nfs/dbraw/zinc/58/15/89/496581589.db2.gz MZIAVSNEJZHDTP-UHFFFAOYSA-N -2 3 369.377 3.474 20 0 FGADHL [O-]c1ccc(F)c(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)c1F ZINC000569775346 506012694 /nfs/dbraw/zinc/01/26/94/506012694.db2.gz FJSNPLGSGTXMSK-UHFFFAOYSA-N -2 3 351.353 3.286 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000578764996 506015730 /nfs/dbraw/zinc/01/57/30/506015730.db2.gz CNPCJTRPSCRKCB-UHFFFAOYSA-N -2 3 363.435 3.291 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1C ZINC000572821177 506060556 /nfs/dbraw/zinc/06/05/56/506060556.db2.gz KESYDOGWJMDKDA-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=S(=O)(CCCOCc1ccccc1)[N-]c1cc(Cl)ccc1[O-] ZINC000304393257 498733885 /nfs/dbraw/zinc/73/38/85/498733885.db2.gz UKCOIIPVQRZRMH-UHFFFAOYSA-N -2 3 355.843 3.394 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000319734752 498805380 /nfs/dbraw/zinc/80/53/80/498805380.db2.gz XBIAJSPCTICVEH-SNVBAGLBSA-N -2 3 363.863 3.150 20 0 FGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325602274 498839107 /nfs/dbraw/zinc/83/91/07/498839107.db2.gz OXAIQHPZCTVFJO-JTQLQIEISA-N -2 3 367.389 3.263 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000399463964 499568159 /nfs/dbraw/zinc/56/81/59/499568159.db2.gz QYJSTWVEEFLBKH-UFBFGSQYSA-N -2 3 354.255 3.017 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)cc1OCC ZINC000414395880 499786345 /nfs/dbraw/zinc/78/63/45/499786345.db2.gz NGTSEPRFKWUXIL-UHFFFAOYSA-N -2 3 373.377 3.269 20 0 FGADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cc([O-])c(F)cc3F)c2O1 ZINC000414400296 499786842 /nfs/dbraw/zinc/78/68/42/499786842.db2.gz WMEVLFLFIYHRQJ-UHFFFAOYSA-N -2 3 355.362 3.185 20 0 FGADHL Cc1nc(C=Cc2nc3c(s2)C[C@H](C)CC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443451780 500726705 /nfs/dbraw/zinc/72/67/05/500726705.db2.gz HQCLQOTVBVIPBE-JYESYGNLSA-N -2 3 359.451 3.260 20 0 FGADHL COc1ccc(-c2nnc([N-]C(=O)c3c(F)ccc([O-])c3F)s2)cc1 ZINC000438887377 500831496 /nfs/dbraw/zinc/83/14/96/500831496.db2.gz YTXBMPJDPQDOOB-UHFFFAOYSA-N -2 3 363.345 3.450 20 0 FGADHL CC(=O)c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1[O-] ZINC000436658194 501180860 /nfs/dbraw/zinc/18/08/60/501180860.db2.gz YHRUWVIEKIGAPW-UHFFFAOYSA-N -2 3 350.168 3.315 20 0 FGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000467933279 501909076 /nfs/dbraw/zinc/90/90/76/501909076.db2.gz JROWBORTEGEXAN-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)N=c2ccc([O-])n[n-]2)cs1 ZINC000464454858 501993966 /nfs/dbraw/zinc/99/39/66/501993966.db2.gz BVOIGCBYPHMSKZ-UHFFFAOYSA-N -2 3 372.425 3.091 20 0 FGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000485066822 502812549 /nfs/dbraw/zinc/81/25/49/502812549.db2.gz VKZYFTYIUQNBLK-NSHDSACASA-N -2 3 351.827 3.037 20 0 FGADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c1F ZINC000489447999 502960829 /nfs/dbraw/zinc/96/08/29/502960829.db2.gz AAQXVPWBSWBCGY-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1c(C)noc1C ZINC000514670611 503162639 /nfs/dbraw/zinc/16/26/39/503162639.db2.gz YEDZHWQEAXZLFX-LBPRGKRZSA-N -2 3 372.830 3.073 20 0 FGADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504565595 503589728 /nfs/dbraw/zinc/58/97/28/503589728.db2.gz HUXAARQQIMQAFU-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL Cc1nc(C=Cc2cccc(C(=O)OC(C)(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710351 503606624 /nfs/dbraw/zinc/60/66/24/503606624.db2.gz ARDGINZWBGFKNB-HJWRWDBZSA-N -2 3 370.405 3.243 20 0 FGADHL Cc1nc(C=Cc2csc(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712941 503607308 /nfs/dbraw/zinc/60/73/08/503607308.db2.gz SWDABTDPDNAALP-NSCUHMNNSA-N -2 3 355.213 3.112 20 0 FGADHL Cc1ccc(-c2nc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)co2)cc1 ZINC000504720512 503608495 /nfs/dbraw/zinc/60/84/95/503608495.db2.gz IZANYNBIJDDIOU-FPLPWBNLSA-N -2 3 351.362 3.252 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c(C)c1C(=O)[O-] ZINC000512786407 503631157 /nfs/dbraw/zinc/63/11/57/503631157.db2.gz ZSHUDNDFGZQFNL-UHFFFAOYSA-N -2 3 361.419 3.127 20 0 FGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000537037405 503785449 /nfs/dbraw/zinc/78/54/49/503785449.db2.gz HSSBUBGBYDYZNY-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000540498402 503793856 /nfs/dbraw/zinc/79/38/56/503793856.db2.gz YWEDRAPHPYBQMJ-UHFFFAOYSA-N -2 3 361.341 3.306 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1C(=O)[O-] ZINC000541304514 504082113 /nfs/dbraw/zinc/08/21/13/504082113.db2.gz AJWRYHKEZCJISG-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000519395039 504211234 /nfs/dbraw/zinc/21/12/34/504211234.db2.gz YBEJMTIXBGLWQQ-LBPRGKRZSA-N -2 3 374.871 3.233 20 0 FGADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000547896202 504259703 /nfs/dbraw/zinc/25/97/03/504259703.db2.gz FREOEUXBQZYSRD-IUODEOHRSA-N -2 3 373.883 3.476 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000548538171 504479259 /nfs/dbraw/zinc/47/92/59/504479259.db2.gz SKPFQQPYXULFLY-LLVKDONJSA-N -2 3 371.430 3.296 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(F)c(Br)c1 ZINC000536611377 504769621 /nfs/dbraw/zinc/76/96/21/504769621.db2.gz ZUQBICSHHIFVMT-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])no1 ZINC000551936338 505347454 /nfs/dbraw/zinc/34/74/54/505347454.db2.gz RVWMFUXDAJZTNQ-UHFFFAOYSA-N -2 3 372.830 3.266 20 0 FGADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000564851604 505539861 /nfs/dbraw/zinc/53/98/61/505539861.db2.gz QDLHAVYCCJZTAR-AAEUAGOBSA-N -2 3 363.838 3.181 20 0 FGADHL C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000564976700 505565140 /nfs/dbraw/zinc/56/51/40/505565140.db2.gz BAMCOBWGCISXLX-RDTXWAMCSA-N -2 3 369.417 3.154 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(F)ccc3F)c1)CCCC2 ZINC000614736875 507641011 /nfs/dbraw/zinc/64/10/11/507641011.db2.gz MBBCUMQNCVZALS-UHFFFAOYSA-N -2 3 367.373 3.343 20 0 FGADHL O=c1nc(CSc2ccc(-c3nnn[n-]3)cc2F)[n-]c2ccsc21 ZINC000738374631 599066917 /nfs/dbraw/zinc/06/69/17/599066917.db2.gz RDSSMURXADDIBQ-UHFFFAOYSA-N -2 3 360.399 3.008 20 0 FGADHL O=c1nc(CSc2ccc(-c3nn[n-]n3)cc2F)[n-]c2ccsc21 ZINC000738374631 599066918 /nfs/dbraw/zinc/06/69/18/599066918.db2.gz RDSSMURXADDIBQ-UHFFFAOYSA-N -2 3 360.399 3.008 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738402373 600489338 /nfs/dbraw/zinc/48/93/38/600489338.db2.gz QIYKJRYFVCMUBK-UHFFFAOYSA-N -2 3 367.398 3.179 20 0 FGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OC)cc1C(=O)[O-] ZINC000737266382 600635566 /nfs/dbraw/zinc/63/55/66/600635566.db2.gz BDCFUURDSJRRIZ-UHFFFAOYSA-N -2 3 363.435 3.319 20 0 FGADHL COc1ccc([O-])c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000832424478 601078870 /nfs/dbraw/zinc/07/88/70/601078870.db2.gz FXCQFLPCAUYNTD-UHFFFAOYSA-N -2 3 350.396 3.105 20 0 FGADHL O=C([O-])C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000833264667 601733765 /nfs/dbraw/zinc/73/37/65/601733765.db2.gz IDDUVFQZPUMTAU-HNNXBMFYSA-N -2 3 370.792 3.127 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])ccc1F ZINC000740093068 602665422 /nfs/dbraw/zinc/66/54/22/602665422.db2.gz HJXJOMZGATVXCK-UHFFFAOYSA-N -2 3 364.398 3.366 20 0 FGADHL O=C([O-])c1csc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833145024 604495462 /nfs/dbraw/zinc/49/54/62/604495462.db2.gz ARQWPLAIRYVXTD-UHFFFAOYSA-N -2 3 371.212 3.236 20 0 FGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000037405961 695754563 /nfs/dbraw/zinc/75/45/63/695754563.db2.gz ODBHRASDDAFEFX-UHFFFAOYSA-N -2 3 354.255 3.307 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000629340920 716270258 /nfs/dbraw/zinc/27/02/58/716270258.db2.gz SHSPGTLWEBGMSW-ZDUSSCGKSA-N -2 3 369.826 3.296 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@H]2C)cc1C(=O)[O-] ZINC000645974852 718256169 /nfs/dbraw/zinc/25/61/69/718256169.db2.gz DDNVZJGQQKYIMS-JDNHERCYSA-N -2 3 367.398 3.027 20 0 FGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC000647128150 718333640 /nfs/dbraw/zinc/33/36/40/718333640.db2.gz RJYDZVNNNVIQOR-LLVKDONJSA-N -2 3 370.254 3.104 20 0 FGADHL Cc1nc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c(-c2ccccc2)s1 ZINC000663286186 720497785 /nfs/dbraw/zinc/49/77/85/720497785.db2.gz OUZZNLMRKLKDFY-LLVKDONJSA-N -2 3 368.480 3.040 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000663422633 720511951 /nfs/dbraw/zinc/51/19/51/720511951.db2.gz GMXFSWFGEZDONG-GXTWGEPZSA-N -2 3 367.398 3.040 20 0 FGADHL O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc([O-])c(F)c3)nc2c1 ZINC000755586065 722954624 /nfs/dbraw/zinc/95/46/24/722954624.db2.gz DSTDXCSNKZNGHP-VZUCSPMQSA-N -2 3 360.728 3.203 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(Cl)cc1Cl ZINC000907053007 744181737 /nfs/dbraw/zinc/18/17/37/744181737.db2.gz JVHMYJXCSIQTEF-ZCFIWIBFSA-N -2 3 374.192 3.015 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1Cl ZINC000031665530 493953896 /nfs/dbraw/zinc/95/38/96/493953896.db2.gz PQCFUVJBZGZTCG-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000043012835 494258365 /nfs/dbraw/zinc/25/83/65/494258365.db2.gz YYVKYLJMTAVJOT-UHFFFAOYSA-N -2 3 363.708 3.446 20 0 FGADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000121837840 494871766 /nfs/dbraw/zinc/87/17/66/494871766.db2.gz DNLCSJHIWMWQBE-UHFFFAOYSA-N -2 3 365.183 3.071 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1OC(F)(F)F ZINC000127882073 495012085 /nfs/dbraw/zinc/01/20/85/495012085.db2.gz KZEBBIIDTBDRSJ-UHFFFAOYSA-N -2 3 351.277 3.231 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1Br ZINC000127908400 495016141 /nfs/dbraw/zinc/01/61/41/495016141.db2.gz GOYKNXCYLRLISH-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000136737806 495399061 /nfs/dbraw/zinc/39/90/61/495399061.db2.gz LDGUEAUFEYWCGV-LLVKDONJSA-N -2 3 354.255 3.161 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c1 ZINC000297010379 498286751 /nfs/dbraw/zinc/28/67/51/498286751.db2.gz RMRPWPTUBJSKNF-SNVBAGLBSA-N -2 3 351.346 3.091 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000575913190 506031922 /nfs/dbraw/zinc/03/19/22/506031922.db2.gz VXXSGXDKPAEMBL-UHFFFAOYSA-N -2 3 371.867 3.457 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000320734363 498809462 /nfs/dbraw/zinc/80/94/62/498809462.db2.gz XWTSPUVRHBIWFW-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000321528856 498812257 /nfs/dbraw/zinc/81/22/57/498812257.db2.gz IRIBYEAONIZBDF-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c2cccnc12 ZINC000327990504 498865154 /nfs/dbraw/zinc/86/51/54/498865154.db2.gz RUYHSNYLYQFIAN-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000328149942 498866166 /nfs/dbraw/zinc/86/61/66/498866166.db2.gz NSCQYJBUPWELHC-LBPRGKRZSA-N -2 3 361.419 3.001 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)n(C3CCCCC3)n2)c1 ZINC000582154326 506145347 /nfs/dbraw/zinc/14/53/47/506145347.db2.gz PMCZTXGLTCZCMD-UHFFFAOYSA-N -2 3 365.455 3.212 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)CC(F)(F)F ZINC000414393953 499785855 /nfs/dbraw/zinc/78/58/55/499785855.db2.gz OQMNTRQKOSLEDS-SECBINFHSA-N -2 3 371.352 3.089 20 0 FGADHL CC(C)C[C@H](CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000424258649 500476317 /nfs/dbraw/zinc/47/63/17/500476317.db2.gz YIMDJTUXNDIFLJ-SECBINFHSA-N -2 3 355.847 3.268 20 0 FGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442238879 500574546 /nfs/dbraw/zinc/57/45/46/500574546.db2.gz RXTOYJSIKDVVAT-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL Cc1nc(C=Cc2nc3c(s2)C[C@@H](C)CC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443451774 500726642 /nfs/dbraw/zinc/72/66/42/500726642.db2.gz HQCLQOTVBVIPBE-GFVADAIESA-N -2 3 359.451 3.260 20 0 FGADHL O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1c(F)ccc([O-])c1F ZINC000438766831 500817987 /nfs/dbraw/zinc/81/79/87/500817987.db2.gz TVITXKRZIWBLHW-UHFFFAOYSA-N -2 3 350.712 3.361 20 0 FGADHL O=C(Nc1cc(Br)ccc1[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000436800535 501213400 /nfs/dbraw/zinc/21/34/00/501213400.db2.gz LJGYHJSKYUQGQF-UHFFFAOYSA-N -2 3 374.194 3.298 20 0 FGADHL O=S(=O)(CCc1ccccc1Br)[N-]c1ccc(F)cc1[O-] ZINC000461330801 502072857 /nfs/dbraw/zinc/07/28/57/502072857.db2.gz IGIDCLDXDSOJRT-UHFFFAOYSA-N -2 3 374.231 3.278 20 0 FGADHL O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cn[n-]c1-c1c(F)cccc1F ZINC000487239381 502398834 /nfs/dbraw/zinc/39/88/34/502398834.db2.gz DGGVCLPCGOBBND-UHFFFAOYSA-N -2 3 371.372 3.481 20 0 FGADHL O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1c[n-]nc1-c1c(F)cccc1F ZINC000487239381 502398838 /nfs/dbraw/zinc/39/88/38/502398838.db2.gz DGGVCLPCGOBBND-UHFFFAOYSA-N -2 3 371.372 3.481 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000466354667 502545440 /nfs/dbraw/zinc/54/54/40/502545440.db2.gz ZQSIHBXEHBHRBK-UHFFFAOYSA-N -2 3 363.435 3.419 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000484565004 502672175 /nfs/dbraw/zinc/67/21/75/502672175.db2.gz FSTQMYVEGCTBLJ-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL Cc1nc(C=Cc2ccc(F)c(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470236913 502713090 /nfs/dbraw/zinc/71/30/90/502713090.db2.gz LTSAPMLUCYUDNB-HYXAFXHYSA-N -2 3 367.174 3.190 20 0 FGADHL CCCCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000470236316 502713163 /nfs/dbraw/zinc/71/31/63/502713163.db2.gz HQNRMHNDLAIHQK-CLFYSBASSA-N -2 3 372.421 3.476 20 0 FGADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506242414 503076473 /nfs/dbraw/zinc/07/64/73/503076473.db2.gz CTOKMBJMJTZJLK-UHFFFAOYSA-N -2 3 368.437 3.236 20 0 FGADHL Cc1nc(C=Cc2ccc(C(=O)OC(C)(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720804 503608523 /nfs/dbraw/zinc/60/85/23/503608523.db2.gz MDVHMDCGXHIUMH-YFHOEESVSA-N -2 3 370.405 3.243 20 0 FGADHL Cc1nc(C=Cc2cc(C(F)(F)F)ccc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504728691 503609255 /nfs/dbraw/zinc/60/92/55/503609255.db2.gz GFBIRQXHZIRTHP-DJWKRKHSSA-N -2 3 356.275 3.446 20 0 FGADHL Cc1nc(C=Cc2cc(F)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504732735 503610121 /nfs/dbraw/zinc/61/01/21/503610121.db2.gz RLSMYMOKJWIWGR-IHWYPQMZSA-N -2 3 356.275 3.446 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000547609295 504155366 /nfs/dbraw/zinc/15/53/66/504155366.db2.gz RTVGKOJRNADQGE-MNOVXSKESA-N -2 3 371.430 3.438 20 0 FGADHL COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cc(Cl)ccc1[O-])c2=O ZINC000538366992 504223510 /nfs/dbraw/zinc/22/35/10/504223510.db2.gz VGEZVKSWPQTARP-UHFFFAOYSA-N -2 3 362.744 3.287 20 0 FGADHL CC(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000535511491 504455640 /nfs/dbraw/zinc/45/56/40/504455640.db2.gz IGPKSZORWDLUKT-AWEZNQCLSA-N -2 3 355.843 3.271 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000548526176 504478704 /nfs/dbraw/zinc/47/87/04/504478704.db2.gz XJYIMVMLMYTBDZ-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c1Cl ZINC000548545531 504479817 /nfs/dbraw/zinc/47/98/17/504479817.db2.gz YCVKEVJILKGKRC-QMMMGPOBSA-N -2 3 354.255 3.081 20 0 FGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000548590400 504487032 /nfs/dbraw/zinc/48/70/32/504487032.db2.gz MPQVJXLGLREBRR-SKDRFNHKSA-N -2 3 351.827 3.037 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548620122 504498743 /nfs/dbraw/zinc/49/87/43/504498743.db2.gz KYTAAEIGAGSRLV-MRVPVSSYSA-N -2 3 354.255 3.161 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000539398347 504556228 /nfs/dbraw/zinc/55/62/28/504556228.db2.gz ZTYXIZWSGGGBBU-UHFFFAOYSA-N -2 3 365.304 3.360 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(F)(F)F ZINC000532847429 504766579 /nfs/dbraw/zinc/76/65/79/504766579.db2.gz IPJOORAWAGNSFQ-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c1 ZINC000552849114 504775020 /nfs/dbraw/zinc/77/50/20/504775020.db2.gz DWXZCORNVDOBOW-UHFFFAOYSA-N -2 3 353.446 3.140 20 0 FGADHL O=C(Nc1ccccc1[O-])c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000555998451 504777271 /nfs/dbraw/zinc/77/72/71/504777271.db2.gz RUUWXDAQUJFTHK-UHFFFAOYSA-N -2 3 359.179 3.249 20 0 FGADHL O=C(Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1)C1CC1 ZINC000549721495 504880873 /nfs/dbraw/zinc/88/08/73/504880873.db2.gz ICAZRJUXWURDAX-UHFFFAOYSA-N -2 3 366.826 3.195 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)sc1Cl ZINC000556889831 505007916 /nfs/dbraw/zinc/00/79/16/505007916.db2.gz PBWLJBCHNMGCEU-NWDGAFQWSA-N -2 3 371.867 3.301 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000551913226 505340547 /nfs/dbraw/zinc/34/05/47/505340547.db2.gz RQCYKQHSFCBNAH-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC000562273711 505558776 /nfs/dbraw/zinc/55/87/76/505558776.db2.gz OYTPKZOCRYLDHS-VIFPVBQESA-N -2 3 373.418 3.182 20 0 FGADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c(F)ccc([O-])c1F ZINC000583720813 506934146 /nfs/dbraw/zinc/93/41/46/506934146.db2.gz ZNCXURDGWVGBOA-UHFFFAOYSA-N -2 3 351.259 3.013 20 0 FGADHL CC(=O)Nc1ccc([O-])c(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)c1 ZINC000604901300 506982719 /nfs/dbraw/zinc/98/27/19/506982719.db2.gz WVNVMKHWUFDJFX-UHFFFAOYSA-N -2 3 364.405 3.032 20 0 FGADHL CCc1ccccc1-n1cc([O-])c(C(=O)N=c2cc(-c3cccnc3)[n-][nH]2)n1 ZINC000533675522 517568374 /nfs/dbraw/zinc/56/83/74/517568374.db2.gz YWQHJLBPQMHERV-UHFFFAOYSA-N -2 3 374.404 3.178 20 0 FGADHL CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159425 599456592 /nfs/dbraw/zinc/45/65/92/599456592.db2.gz BNKXBLQEBUIYLL-LLVKDONJSA-N -2 3 371.828 3.449 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)c1nc(C)cs1 ZINC000185006873 599802526 /nfs/dbraw/zinc/80/25/26/599802526.db2.gz LQOPGLBTOCAPDW-LLVKDONJSA-N -2 3 374.871 3.233 20 0 FGADHL C[C@@H](OC(=O)c1cccc(Br)c1[O-])c1ccc(C(=O)[O-])o1 ZINC000736699630 600108991 /nfs/dbraw/zinc/10/89/91/600108991.db2.gz SWIXHFQAEDYYII-SSDOTTSWSA-N -2 3 355.140 3.364 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H](C)c1ccccc1 ZINC000827760511 601240158 /nfs/dbraw/zinc/24/01/58/601240158.db2.gz LCHZVGPFZYUYMP-WDEREUQCSA-N -2 3 369.389 3.134 20 0 FGADHL O=C([O-])c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)cc([N+](=O)[O-])c1 ZINC000237998541 601451185 /nfs/dbraw/zinc/45/11/85/601451185.db2.gz BUIWAXICZAHUKR-UHFFFAOYSA-N -2 3 358.203 3.102 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC000063877066 601830695 /nfs/dbraw/zinc/83/06/95/601830695.db2.gz IRZMEHIAJLDTLB-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000829687856 601847811 /nfs/dbraw/zinc/84/78/11/601847811.db2.gz OVIRZMYAWMRYIQ-UHFFFAOYSA-N -2 3 366.414 3.171 20 0 FGADHL C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC[C@H]1NC(=O)[O-] ZINC000739164841 602869302 /nfs/dbraw/zinc/86/93/02/602869302.db2.gz KTUDIXJOZVOBQB-RDTXWAMCSA-N -2 3 368.433 3.101 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000833747903 605304232 /nfs/dbraw/zinc/30/42/32/605304232.db2.gz NQKOJMKJIMEPTG-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL Cc1c(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822061344 607251961 /nfs/dbraw/zinc/25/19/61/607251961.db2.gz MPPMDWGPZHQMMD-LJQANCHMSA-N -2 3 371.441 3.175 20 0 FGADHL Cc1c(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822061344 607251962 /nfs/dbraw/zinc/25/19/62/607251962.db2.gz MPPMDWGPZHQMMD-LJQANCHMSA-N -2 3 371.441 3.175 20 0 FGADHL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641687989 717921153 /nfs/dbraw/zinc/92/11/53/717921153.db2.gz UUXKZWNZSTUPTB-CYBMUJFWSA-N -2 3 373.833 3.184 20 0 FGADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Cl)c1OC ZINC000670370167 721531975 /nfs/dbraw/zinc/53/19/75/721531975.db2.gz HHHKUWDMALSBJM-PLNGDYQASA-N -2 3 350.758 3.112 20 0 FGADHL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1C ZINC000793389546 723433055 /nfs/dbraw/zinc/43/30/55/723433055.db2.gz WWFOOMMPRCOZSO-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)cc1C ZINC000793429477 723437175 /nfs/dbraw/zinc/43/71/75/723437175.db2.gz HYAAPHUOGDNDIQ-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL O=C([O-])c1csc([C@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000910109861 744418557 /nfs/dbraw/zinc/41/85/57/744418557.db2.gz LFIXGDVHAOKVRA-GFCCVEGCSA-N -2 3 352.799 3.178 20 0 FGADHL O=C([O-])CS[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000910356142 744441732 /nfs/dbraw/zinc/44/17/32/744441732.db2.gz XQVNXXVVCJSSQW-CYBMUJFWSA-N -2 3 373.352 3.024 20 0 FGADHL Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000576700706 505573860 /nfs/dbraw/zinc/57/38/60/505573860.db2.gz MCLSDZSSXOEGPP-CYBMUJFWSA-N -2 3 367.423 3.180 20 0 FGADHL CCC[C@@H](C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000567999201 505593441 /nfs/dbraw/zinc/59/34/41/505593441.db2.gz LGPAKKCPQZQQCB-MRVPVSSYSA-N -2 3 355.334 3.214 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(Br)c1 ZINC000071392886 494091716 /nfs/dbraw/zinc/09/17/16/494091716.db2.gz DSPABPHFEKGPFU-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1nccs1 ZINC000571043320 505640338 /nfs/dbraw/zinc/64/03/38/505640338.db2.gz HUGCLYAWSHMOBB-AWEZNQCLSA-N -2 3 374.871 3.098 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Br ZINC000007056271 493998119 /nfs/dbraw/zinc/99/81/19/493998119.db2.gz XCLRPVMIZXRUJD-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000571531405 505755884 /nfs/dbraw/zinc/75/58/84/505755884.db2.gz XFXFDUBXFDINPO-HOMQSWHASA-N -2 3 371.867 3.324 20 0 FGADHL CCCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000111214401 495048904 /nfs/dbraw/zinc/04/89/04/495048904.db2.gz WSPJDDZGHUUHCS-UHFFFAOYSA-N -2 3 372.446 3.104 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000136734292 495397946 /nfs/dbraw/zinc/39/79/46/495397946.db2.gz PQBDACPRKMPREE-SNVBAGLBSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCc3cccc([O-])c32)n1 ZINC000155674077 496032449 /nfs/dbraw/zinc/03/24/49/496032449.db2.gz XYOQRDRSATZYPP-UHFFFAOYSA-N -2 3 367.380 3.324 20 0 FGADHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000187337966 496399594 /nfs/dbraw/zinc/39/95/94/496399594.db2.gz HKSSDVNWHXAOHO-UHFFFAOYSA-N -2 3 369.446 3.109 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000185008589 496620379 /nfs/dbraw/zinc/62/03/79/496620379.db2.gz JZIBZSNXQWBBSA-LLVKDONJSA-N -2 3 374.871 3.233 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC000320678864 498809028 /nfs/dbraw/zinc/80/90/28/498809028.db2.gz OHAFJKZKOOXCOL-UHFFFAOYSA-N -2 3 371.764 3.035 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000323913187 498824738 /nfs/dbraw/zinc/82/47/38/498824738.db2.gz SJHYRKKFHKDCIW-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000324225798 498825780 /nfs/dbraw/zinc/82/57/80/498825780.db2.gz WHSUWNMEZGDGQE-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000326866663 498849083 /nfs/dbraw/zinc/84/90/83/498849083.db2.gz XCCQLFLYDUUWSL-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000327921971 498863823 /nfs/dbraw/zinc/86/38/23/498863823.db2.gz AOJFXDOMOOVOSJ-CYBMUJFWSA-N -2 3 363.435 3.464 20 0 FGADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000579304403 506141047 /nfs/dbraw/zinc/14/10/47/506141047.db2.gz YKPFMPQMRAICPK-NOZJJQNGSA-N -2 3 357.403 3.048 20 0 FGADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000391215476 499556554 /nfs/dbraw/zinc/55/65/54/499556554.db2.gz FUMJJXBWQPTDDY-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000392683108 499559059 /nfs/dbraw/zinc/55/90/59/499559059.db2.gz FYSPGLSPGDVIAU-UHFFFAOYSA-N -2 3 371.361 3.349 20 0 FGADHL Cc1oc(C)c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1C(=O)[O-] ZINC000427239800 500372311 /nfs/dbraw/zinc/37/23/11/500372311.db2.gz UALMJSRDABVPDQ-NSHDSACASA-N -2 3 365.398 3.089 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)n[n-]2)o1 ZINC000432007255 500454523 /nfs/dbraw/zinc/45/45/23/500454523.db2.gz MEPHFUNKPKHTDR-NSHDSACASA-N -2 3 353.378 3.494 20 0 FGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442248862 500575476 /nfs/dbraw/zinc/57/54/76/500575476.db2.gz IEYTZFTZTGDRIK-UHFFFAOYSA-N -2 3 361.753 3.046 20 0 FGADHL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000442839863 500633314 /nfs/dbraw/zinc/63/33/14/500633314.db2.gz YQBCOHFRJJSRGT-QGZVFWFLSA-N -2 3 363.391 3.083 20 0 FGADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000448073811 500715150 /nfs/dbraw/zinc/71/51/50/500715150.db2.gz GNQYAMJNOUQRIG-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436477200 501134843 /nfs/dbraw/zinc/13/48/43/501134843.db2.gz HQEPOCIYTBJVGN-UHFFFAOYSA-N -2 3 361.341 3.358 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(Cl)cc1F ZINC000471132971 501930673 /nfs/dbraw/zinc/93/06/73/501930673.db2.gz HVYOLYDNRAIVSD-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C(N=c1[n-]nc(-c2ccccn2)s1)c1cc2cc(Cl)sc2[n-]1 ZINC000485895761 501980125 /nfs/dbraw/zinc/98/01/25/501980125.db2.gz DZBBNUHSFDOCRG-UHFFFAOYSA-N -2 3 361.839 3.471 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000479568105 502299459 /nfs/dbraw/zinc/29/94/59/502299459.db2.gz QBLVQCHDHZNPHV-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1C(=O)[O-] ZINC000476400962 502480160 /nfs/dbraw/zinc/48/01/60/502480160.db2.gz XOFKNIKSTAKFEN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)ccc1[O-] ZINC000484258405 502609255 /nfs/dbraw/zinc/60/92/55/502609255.db2.gz UJOQIKUGAOSOMQ-UHFFFAOYSA-N -2 3 371.418 3.147 20 0 FGADHL Cc1nc(C=Cc2ccccc2OC(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000470236117 502713140 /nfs/dbraw/zinc/71/31/40/502713140.db2.gz FYPGXBUSGSDDOD-SREVYHEPSA-N -2 3 354.284 3.187 20 0 FGADHL CCCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000470266092 502720208 /nfs/dbraw/zinc/72/02/08/502720208.db2.gz XMRSKLPJBYNIFY-SOFGYWHQSA-N -2 3 358.394 3.086 20 0 FGADHL COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])[n-]1 ZINC000490848203 503236847 /nfs/dbraw/zinc/23/68/47/503236847.db2.gz VJUFJTUFMAMQDL-UHFFFAOYSA-N -2 3 373.590 3.175 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)cc1C(=O)[O-] ZINC000508242561 503461892 /nfs/dbraw/zinc/46/18/92/503461892.db2.gz OPROHSCLGARFDV-UHFFFAOYSA-N -2 3 366.414 3.453 20 0 FGADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504695496 503606418 /nfs/dbraw/zinc/60/64/18/503606418.db2.gz PIQPJMVRZNBITJ-UHFFFAOYSA-N -2 3 367.398 3.097 20 0 FGADHL Cc1nc(C=Cc2cccc(OCC(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710643 503607483 /nfs/dbraw/zinc/60/74/83/503607483.db2.gz DLUXEQPHBFVAOU-WAYWQWQTSA-N -2 3 368.311 3.229 20 0 FGADHL Cc1nc(C=Cc2ccc(OCC(F)(F)F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722791 503608611 /nfs/dbraw/zinc/60/86/11/503608611.db2.gz XAZPFDYMVARUMH-DAXSKMNVSA-N -2 3 368.311 3.229 20 0 FGADHL CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000504733040 503609991 /nfs/dbraw/zinc/60/99/91/503609991.db2.gz SOPGRBNZRDLANQ-VQHVLOKHSA-N -2 3 358.394 3.086 20 0 FGADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)sc1Br ZINC000504733763 503610193 /nfs/dbraw/zinc/61/01/93/503610193.db2.gz VSLOTCAAWXFKMB-ONEGZZNKSA-N -2 3 369.240 3.421 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000530152441 503854284 /nfs/dbraw/zinc/85/42/84/503854284.db2.gz RVALXWGLWZJIJK-LLVKDONJSA-N -2 3 373.858 3.072 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(C)c1F ZINC000541165251 504028862 /nfs/dbraw/zinc/02/88/62/504028862.db2.gz PTICJEIBSWLRLH-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c(F)c1 ZINC000547869285 504254799 /nfs/dbraw/zinc/25/47/99/504254799.db2.gz DRGUTROVAHBJAW-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cccc2cccnc21 ZINC000548209983 504369131 /nfs/dbraw/zinc/36/91/31/504369131.db2.gz XLIJCXRPOIYEDQ-UHFFFAOYSA-N -2 3 374.393 3.322 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1Cl ZINC000538941020 504423191 /nfs/dbraw/zinc/42/31/91/504423191.db2.gz RUQRBZVSIOASCB-UHFFFAOYSA-N -2 3 367.810 3.164 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C(=O)[O-] ZINC000535595578 504480438 /nfs/dbraw/zinc/48/04/38/504480438.db2.gz FRGHQBPDVCJTOO-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548619209 504498390 /nfs/dbraw/zinc/49/83/90/504498390.db2.gz DEJBBQBYPZNADD-MRVPVSSYSA-N -2 3 371.352 3.012 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000539399925 504557428 /nfs/dbraw/zinc/55/74/28/504557428.db2.gz KYTBDHWWNYYWDS-UHFFFAOYSA-N -2 3 360.391 3.220 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)c1 ZINC000539399843 504557438 /nfs/dbraw/zinc/55/74/38/504557438.db2.gz FGHYFNUQWJOVHP-UHFFFAOYSA-N -2 3 359.350 3.111 20 0 FGADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCCc4cccc([O-])c43)n2)c1 ZINC000539472230 504582721 /nfs/dbraw/zinc/58/27/21/504582721.db2.gz HBZLARSVHJTWQW-UHFFFAOYSA-N -2 3 367.380 3.324 20 0 FGADHL Cc1oc(C2CC2)nc1C(=O)[N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000562537702 504851465 /nfs/dbraw/zinc/85/14/65/504851465.db2.gz ANUXAMXCWQMTTG-UHFFFAOYSA-N -2 3 359.773 3.257 20 0 FGADHL CC(=O)c1cccc(NC(=O)c2cc(Br)ccc2[O-])c1[O-] ZINC000556894303 505008671 /nfs/dbraw/zinc/00/86/71/505008671.db2.gz UZCWNOPBTHATLF-UHFFFAOYSA-N -2 3 350.168 3.315 20 0 FGADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560416862 505077547 /nfs/dbraw/zinc/07/75/47/505077547.db2.gz AAXRJIMTOJGDDL-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000551596299 505264392 /nfs/dbraw/zinc/26/43/92/505264392.db2.gz PNWAUWJUXNAILR-QGZVFWFLSA-N -2 3 373.405 3.392 20 0 FGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000551596292 505264655 /nfs/dbraw/zinc/26/46/55/505264655.db2.gz PNWAUWJUXNAILR-KRWDZBQOSA-N -2 3 373.405 3.392 20 0 FGADHL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000561336287 505317620 /nfs/dbraw/zinc/31/76/20/505317620.db2.gz YKRXPANQVLFYCL-LBPRGKRZSA-N -2 3 351.424 3.379 20 0 FGADHL CC(C)c1c(C(=O)N=c2ccc([O-])n[n-]2)cnn1-c1ccccc1Cl ZINC000485696958 515147618 /nfs/dbraw/zinc/14/76/18/515147618.db2.gz PDWCVUGWLZQYRN-UHFFFAOYSA-N -2 3 357.801 3.397 20 0 FGADHL COC(=O)c1cc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)c[n-]1 ZINC000490547458 515244591 /nfs/dbraw/zinc/24/45/91/515244591.db2.gz SKROIVNAHSQBIO-UHFFFAOYSA-N -2 3 350.787 3.159 20 0 FGADHL CC(C)n1cnc(=NC(=O)c2cc3cc(Br)sc3[n-]2)[n-]1 ZINC000616517763 520048050 /nfs/dbraw/zinc/04/80/50/520048050.db2.gz GTHHQLRLEBNRNP-UHFFFAOYSA-N -2 3 354.233 3.417 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000327343039 599852505 /nfs/dbraw/zinc/85/25/05/599852505.db2.gz CVMFJTBMUWNHTA-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000737840396 600100742 /nfs/dbraw/zinc/10/07/42/600100742.db2.gz ZCNYNRJVNPGHFD-UHFFFAOYSA-N -2 3 368.386 3.342 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cc1C ZINC000737868886 600636727 /nfs/dbraw/zinc/63/67/27/600636727.db2.gz VDULENQOYNBJGM-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])NC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000740625415 602028181 /nfs/dbraw/zinc/02/81/81/602028181.db2.gz QQONIWFPMKLJDH-KRWDZBQOSA-N -2 3 368.433 3.103 20 0 FGADHL CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000739292893 602128548 /nfs/dbraw/zinc/12/85/48/602128548.db2.gz BLHVHXXZTVMULS-LJQANCHMSA-N -2 3 372.425 3.177 20 0 FGADHL O=C([O-])Nc1ccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000832841886 603916516 /nfs/dbraw/zinc/91/65/16/603916516.db2.gz RZKPEVOFNMGLBR-UHFFFAOYSA-N -2 3 373.319 3.021 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(F)(F)F ZINC000829665969 605298470 /nfs/dbraw/zinc/29/84/70/605298470.db2.gz ZNHTWFJNQFEFTC-NSHDSACASA-N -2 3 371.352 3.169 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-])C(F)(F)F ZINC000833425091 605298557 /nfs/dbraw/zinc/29/85/57/605298557.db2.gz USTKTYYZRHAEBE-LLVKDONJSA-N -2 3 371.352 3.169 20 0 FGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000037405960 695754692 /nfs/dbraw/zinc/75/46/92/695754692.db2.gz OHELGIRHXFKFCE-UHFFFAOYSA-N -2 3 354.255 3.307 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1F ZINC000314657711 713805761 /nfs/dbraw/zinc/80/57/61/713805761.db2.gz WULYINPZODODAR-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1F ZINC000427291146 714019367 /nfs/dbraw/zinc/01/93/67/714019367.db2.gz DQEKIIJDRCSZPD-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL O=C(Nc1c([O-])cccc1F)c1cc(I)ccc1[O-] ZINC000616406520 714584981 /nfs/dbraw/zinc/58/49/81/714584981.db2.gz UYVRSUHSARHEEX-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1OCC(=O)[O-] ZINC000678477978 721959891 /nfs/dbraw/zinc/95/98/91/721959891.db2.gz DLRKMGHTTCFDCB-UHFFFAOYSA-N -2 3 361.419 3.137 20 0 FGADHL O=C(Nc1cccc([O-])c1F)c1cccc(I)c1[O-] ZINC000755645312 722955371 /nfs/dbraw/zinc/95/53/71/722955371.db2.gz RFTZWQABDHMWDY-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(C(=O)[O-])c1Cl ZINC000759092645 722999391 /nfs/dbraw/zinc/99/93/91/722999391.db2.gz XIGIASJPPRQAHW-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000910242832 744433286 /nfs/dbraw/zinc/43/32/86/744433286.db2.gz XNHBTYBLSHPJFS-BFHYXJOUSA-N -2 3 357.328 3.126 20 0 FGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000910242834 744433407 /nfs/dbraw/zinc/43/34/07/744433407.db2.gz XNHBTYBLSHPJFS-MGPQQGTHSA-N -2 3 357.328 3.126 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2F)C(C)C)cc1C(=O)[O-] ZINC000568506612 505711909 /nfs/dbraw/zinc/71/19/09/505711909.db2.gz DSNKICACNNXQIP-OAHLLOKOSA-N -2 3 373.377 3.240 20 0 FGADHL Cc1c(=O)[n-]c(SCC(=O)Nc2ccccc2[O-])nc1-c1ccccc1 ZINC000118960800 495059003 /nfs/dbraw/zinc/05/90/03/495059003.db2.gz DSBODRWHFAMFFD-UHFFFAOYSA-N -2 3 367.430 3.182 20 0 FGADHL CSc1nc(C)c(CCC(=O)Nc2cc(Cl)cc(C)c2[O-])c(=O)[n-]1 ZINC000175839740 496567092 /nfs/dbraw/zinc/56/70/92/496567092.db2.gz NBHIIEVGSUJWTP-UHFFFAOYSA-N -2 3 367.858 3.039 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cc2ccccc2o1 ZINC000189416031 497111323 /nfs/dbraw/zinc/11/13/23/497111323.db2.gz LXYIWXNWKITNTJ-SECBINFHSA-N -2 3 351.405 3.232 20 0 FGADHL Cc1nc(C=Cc2ccccc2C(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000193403356 497371829 /nfs/dbraw/zinc/37/18/29/497371829.db2.gz SKHPXNRCOLKAAB-SOFGYWHQSA-N -2 3 352.312 3.285 20 0 FGADHL O=C([N-]c1nnc(C(F)F)s1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000193916193 497518588 /nfs/dbraw/zinc/51/85/88/497518588.db2.gz JQQOLOLDSHCTCJ-UHFFFAOYSA-N -2 3 371.756 3.273 20 0 FGADHL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000575199331 505941258 /nfs/dbraw/zinc/94/12/58/505941258.db2.gz GQRVDDHMVSCJNO-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1nccs1 ZINC000569840400 506029568 /nfs/dbraw/zinc/02/95/68/506029568.db2.gz AOFURIHMDPEPCJ-AWEZNQCLSA-N -2 3 374.871 3.098 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000318083844 498795452 /nfs/dbraw/zinc/79/54/52/498795452.db2.gz LPEVGWFJQLLVNM-FZMZJTMJSA-N -2 3 366.266 3.305 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000319485681 498803600 /nfs/dbraw/zinc/80/36/00/498803600.db2.gz CGODRHDENLPHAB-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000320910150 498810182 /nfs/dbraw/zinc/81/01/82/498810182.db2.gz JXHCEJKYHQSPSZ-UHFFFAOYSA-N -2 3 363.863 3.294 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000324189542 498825397 /nfs/dbraw/zinc/82/53/97/498825397.db2.gz JOCKCTCQPGMIJI-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000327558138 498860491 /nfs/dbraw/zinc/86/04/91/498860491.db2.gz UBWIYEFOHGECCM-UHFFFAOYSA-N -2 3 363.435 3.149 20 0 FGADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000299263245 499008450 /nfs/dbraw/zinc/00/84/50/499008450.db2.gz NEXLAFFUQXRSOL-UHFFFAOYSA-N -2 3 369.446 3.254 20 0 FGADHL Cc1nc(C=Cc2cccc(-c3cnn(C)c3)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000370143819 499187600 /nfs/dbraw/zinc/18/76/00/499187600.db2.gz ZDGKLZROLFCWON-SOFGYWHQSA-N -2 3 364.405 3.079 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000573184677 506138028 /nfs/dbraw/zinc/13/80/28/506138028.db2.gz LVQCAJNDYUNUTL-VIFPVBQESA-N -2 3 354.255 3.305 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000392132649 499557807 /nfs/dbraw/zinc/55/78/07/499557807.db2.gz AXCQETFUJGPLLD-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1occc1Br ZINC000378028674 499755311 /nfs/dbraw/zinc/75/53/11/499755311.db2.gz DSPLTIDNPGCLGE-UHFFFAOYSA-N -2 3 369.125 3.358 20 0 FGADHL COc1ccc(CN[C@H](C(=O)[O-])c2cccs2)c(Br)c1[O-] ZINC000426816651 500324090 /nfs/dbraw/zinc/32/40/90/500324090.db2.gz LJBMBSVVIIXVPE-LBPRGKRZSA-N -2 3 372.240 3.140 20 0 FGADHL C[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@H]1C(=O)[O-] ZINC000424271292 500479015 /nfs/dbraw/zinc/47/90/15/500479015.db2.gz YODDKGPTOLSZMW-AUUYWEPGSA-N -2 3 369.417 3.297 20 0 FGADHL O=C([O-])COc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432704515 500550500 /nfs/dbraw/zinc/55/05/00/500550500.db2.gz DDKMKQUAXCRUOG-SFQUDFHCSA-N -2 3 362.385 3.017 20 0 FGADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000438946828 500839108 /nfs/dbraw/zinc/83/91/08/500839108.db2.gz LCKBIEKXZKQYLT-UHFFFAOYSA-N -2 3 362.311 3.372 20 0 FGADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000438946828 500839112 /nfs/dbraw/zinc/83/91/12/500839112.db2.gz LCKBIEKXZKQYLT-UHFFFAOYSA-N -2 3 362.311 3.372 20 0 FGADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000438946828 500839115 /nfs/dbraw/zinc/83/91/15/500839115.db2.gz LCKBIEKXZKQYLT-UHFFFAOYSA-N -2 3 362.311 3.372 20 0 FGADHL CCCc1nc(=NC(=O)c2cn[n-]c2-c2cc3ccccc3o2)s[n-]1 ZINC000439563296 500914444 /nfs/dbraw/zinc/91/44/44/500914444.db2.gz ATQPDKOOQQAQJQ-UHFFFAOYSA-N -2 3 353.407 3.301 20 0 FGADHL CCCc1nc(=NC(=O)c2c[n-]nc2-c2cc3ccccc3o2)s[n-]1 ZINC000439563296 500914447 /nfs/dbraw/zinc/91/44/47/500914447.db2.gz ATQPDKOOQQAQJQ-UHFFFAOYSA-N -2 3 353.407 3.301 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000436477019 501134431 /nfs/dbraw/zinc/13/44/31/501134431.db2.gz KOKNDVJSONVZCI-UHFFFAOYSA-N -2 3 363.435 3.277 20 0 FGADHL [O-]c1ccc(F)c(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)c1F ZINC000436603129 501167587 /nfs/dbraw/zinc/16/75/87/501167587.db2.gz LLOGPZDDMGRSAS-UHFFFAOYSA-N -2 3 369.274 3.356 20 0 FGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436812844 501215419 /nfs/dbraw/zinc/21/54/19/501215419.db2.gz NXBTXKMSDKBSRG-UHFFFAOYSA-N -2 3 358.785 3.163 20 0 FGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000451019831 501239603 /nfs/dbraw/zinc/23/96/03/501239603.db2.gz XGASYLPMSKSPFC-OAHLLOKOSA-N -2 3 355.843 3.483 20 0 FGADHL C[C@@H](C(=O)Nc1ccc(F)cc1[O-])[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000478864003 502106827 /nfs/dbraw/zinc/10/68/27/502106827.db2.gz KXJPDEAJRYDBFY-NXEZZACHSA-N -2 3 364.348 3.225 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000479918958 502420299 /nfs/dbraw/zinc/42/02/99/502420299.db2.gz WOHQWTVFPRLWEF-HNNXBMFYSA-N -2 3 367.373 3.019 20 0 FGADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000484583242 502676387 /nfs/dbraw/zinc/67/63/87/502676387.db2.gz LFAVHSOEYWHKQM-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(SC)c2)c1F ZINC000489450070 502961617 /nfs/dbraw/zinc/96/16/17/502961617.db2.gz GARHXQWZWZWQOS-UHFFFAOYSA-N -2 3 371.411 3.055 20 0 FGADHL COc1nc2ccccc2cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000515975101 503426069 /nfs/dbraw/zinc/42/60/69/503426069.db2.gz OLZCGTAMYHPSGU-CLFYSBASSA-N -2 3 365.389 3.235 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(C(F)(F)F)ccc1F ZINC000504223670 503540182 /nfs/dbraw/zinc/54/01/82/503540182.db2.gz VZZBWBXTKXLDEC-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(C)c1 ZINC000504695880 503606371 /nfs/dbraw/zinc/60/63/71/503606371.db2.gz SYGNASRLWMLKAF-UHFFFAOYSA-N -2 3 363.435 3.266 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000500346607 503606649 /nfs/dbraw/zinc/60/66/49/503606649.db2.gz KYNZDWSNCYSNNW-UHFFFAOYSA-N -2 3 369.826 3.167 20 0 FGADHL CCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000504713597 503607663 /nfs/dbraw/zinc/60/76/63/503607663.db2.gz XOVILGORNOBFBG-CLFYSBASSA-N -2 3 372.421 3.476 20 0 FGADHL Cc1nc(C=Cc2cccc(OC(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710448 503607711 /nfs/dbraw/zinc/60/77/11/503607711.db2.gz BPNNIUSOIKIJKU-WAYWQWQTSA-N -2 3 354.284 3.187 20 0 FGADHL Cc1nc(C=Cc2ncc(-c3ccccc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504723159 503609437 /nfs/dbraw/zinc/60/94/37/503609437.db2.gz YSNFKIPWHZBYSW-BQYQJAHWSA-N -2 3 353.403 3.412 20 0 FGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000516985953 503638916 /nfs/dbraw/zinc/63/89/16/503638916.db2.gz BSVUKSTUXMWSJS-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL Cc1ccc(O)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000530144268 503851731 /nfs/dbraw/zinc/85/17/31/503851731.db2.gz DXNGALOHNNRUJM-UHFFFAOYSA-N -2 3 363.435 3.054 20 0 FGADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)c1 ZINC000540704547 503862149 /nfs/dbraw/zinc/86/21/49/503862149.db2.gz KLKZVIBHZCSPHN-HNNXBMFYSA-N -2 3 361.419 3.069 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000530368993 503939305 /nfs/dbraw/zinc/93/93/05/503939305.db2.gz CGFZNRIQYFVKFL-RISCZKNCSA-N -2 3 369.439 3.200 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1C(=O)[O-] ZINC000541306008 504082614 /nfs/dbraw/zinc/08/26/14/504082614.db2.gz FZQDGEDNUAKSJP-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000547565207 504149141 /nfs/dbraw/zinc/14/91/41/504149141.db2.gz KNKZOSQETBETGV-UHFFFAOYSA-N -2 3 371.352 3.014 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000547602269 504153966 /nfs/dbraw/zinc/15/39/66/504153966.db2.gz WIAGLPRCKGMMGJ-GFCCVEGCSA-N -2 3 359.831 3.172 20 0 FGADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000534729527 504227503 /nfs/dbraw/zinc/22/75/03/504227503.db2.gz YDWZBMMDEZTJKS-UHFFFAOYSA-N -2 3 368.842 3.450 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000547875358 504255771 /nfs/dbraw/zinc/25/57/71/504255771.db2.gz FANYNBCUGMLVQO-LBPRGKRZSA-N -2 3 361.419 3.126 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000547933816 504264678 /nfs/dbraw/zinc/26/46/78/504264678.db2.gz QDJXHGCGFLYQLJ-ZDUSSCGKSA-N -2 3 369.395 3.046 20 0 FGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(CC(=O)[O-])C1 ZINC000548211360 504369300 /nfs/dbraw/zinc/36/93/00/504369300.db2.gz HVVLPVHLRXNJKH-BONVTDFDSA-N -2 3 363.838 3.039 20 0 FGADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000548268780 504379316 /nfs/dbraw/zinc/37/93/16/504379316.db2.gz WRKMHFKJJUIBQS-LLVKDONJSA-N -2 3 361.872 3.190 20 0 FGADHL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000548566246 504483006 /nfs/dbraw/zinc/48/30/06/504483006.db2.gz BOXSJJNIOSTJRR-BONVTDFDSA-N -2 3 371.817 3.219 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000556702965 504946169 /nfs/dbraw/zinc/94/61/69/504946169.db2.gz HJEVEDXPHSPUEO-LLVKDONJSA-N -2 3 359.831 3.316 20 0 FGADHL CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])c1[O-] ZINC000556894119 505009071 /nfs/dbraw/zinc/00/90/71/505009071.db2.gz NVGMECTXPWGIGT-UHFFFAOYSA-N -2 3 369.352 3.186 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)c1 ZINC000552006740 505368671 /nfs/dbraw/zinc/36/86/71/505368671.db2.gz UBYVWIJLULGCLL-GJZGRUSLSA-N -2 3 365.476 3.451 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1cc(C)cc(C)c1 ZINC000567163940 505381720 /nfs/dbraw/zinc/38/17/20/505381720.db2.gz HQGJNFXEZCDYDX-LLVKDONJSA-N -2 3 369.464 3.111 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1ncc(C(=O)[O-])s1 ZINC000567471736 505474296 /nfs/dbraw/zinc/47/42/96/505474296.db2.gz YKCNERMUBFZIMV-MRVPVSSYSA-N -2 3 374.509 3.240 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)cc1C(=O)[O-] ZINC000567803145 505564359 /nfs/dbraw/zinc/56/43/59/505564359.db2.gz PFNYDVFLSXYLEN-OAHLLOKOSA-N -2 3 351.424 3.352 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000567896252 505570442 /nfs/dbraw/zinc/57/04/42/505570442.db2.gz VISMSEBTTWOMTC-GRYCIOLGSA-N -2 3 373.496 3.092 20 0 FGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000603798647 506619732 /nfs/dbraw/zinc/61/97/32/506619732.db2.gz NUGQILPSLKREEV-UHFFFAOYSA-N -2 3 373.789 3.133 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000583786320 506971468 /nfs/dbraw/zinc/97/14/68/506971468.db2.gz IVMNBIZONSKEPS-UFBFGSQYSA-N -2 3 371.402 3.079 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000584216457 507220196 /nfs/dbraw/zinc/22/01/96/507220196.db2.gz QLEJJYRAQNPZEZ-GWCFXTLKSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)ccc1C(=O)[O-] ZINC000821033886 597492097 /nfs/dbraw/zinc/49/20/97/597492097.db2.gz BXWXAHCOTMZRTF-UHFFFAOYSA-N -2 3 354.337 3.235 20 0 FGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000320696534 599801268 /nfs/dbraw/zinc/80/12/68/599801268.db2.gz HPFZRRVHOGFIOY-UHFFFAOYSA-N -2 3 369.317 3.405 20 0 FGADHL CC[C@]([N-]C(=O)C(F)(F)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907418 600128561 /nfs/dbraw/zinc/12/85/61/600128561.db2.gz RWJWMTQAOPYPEI-QGZVFWFLSA-N -2 3 351.324 3.424 20 0 FGADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000738407427 600626138 /nfs/dbraw/zinc/62/61/38/600626138.db2.gz GMYPHPSHVZZMQI-UHFFFAOYSA-N -2 3 374.462 3.023 20 0 FGADHL O=C([O-])[C@@H](OC(=O)c1cccc(Br)c1[O-])c1ccccc1F ZINC000833350200 600665989 /nfs/dbraw/zinc/66/59/89/600665989.db2.gz BNIOCBSNSJGJIJ-ZDUSSCGKSA-N -2 3 369.142 3.277 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000067899594 601329492 /nfs/dbraw/zinc/32/94/92/601329492.db2.gz PTZJDXADBSVVRI-UHFFFAOYSA-N -2 3 369.439 3.230 20 0 FGADHL CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000739292890 602128511 /nfs/dbraw/zinc/12/85/11/602128511.db2.gz BLHVHXXZTVMULS-IBGZPJMESA-N -2 3 372.425 3.177 20 0 FGADHL Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccc(CNC(=O)[O-])o3)s2)c1 ZINC000829998624 602946511 /nfs/dbraw/zinc/94/65/11/602946511.db2.gz WALUYGQPCNRVHS-UHFFFAOYSA-N -2 3 372.406 3.435 20 0 FGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000832925318 604809636 /nfs/dbraw/zinc/80/96/36/604809636.db2.gz ISKATVWWSCXVGM-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1F ZINC000833152521 604940560 /nfs/dbraw/zinc/94/05/60/604940560.db2.gz BAXUWUPFLRUCAY-UHFFFAOYSA-N -2 3 354.131 3.244 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(Cl)cc1F ZINC000427294040 714019309 /nfs/dbraw/zinc/01/93/09/714019309.db2.gz GFHFKNIHOYTCOH-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000645945183 718253727 /nfs/dbraw/zinc/25/37/27/718253727.db2.gz HYHONZCFZLMXLK-CQSZACIVSA-N -2 3 355.799 3.061 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1Cl ZINC000647919356 718387182 /nfs/dbraw/zinc/38/71/82/718387182.db2.gz YUCRFYFJGXOUEL-UHFFFAOYSA-N -2 3 362.190 3.198 20 0 FGADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000647923656 718387619 /nfs/dbraw/zinc/38/76/19/718387619.db2.gz XDGANIUCVUXWKF-QWHCGFSZSA-N -2 3 353.362 3.110 20 0 FGADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000793343130 723426684 /nfs/dbraw/zinc/42/66/84/723426684.db2.gz HAKVJBQOPQFTQR-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1O ZINC000776460070 724147399 /nfs/dbraw/zinc/14/73/99/724147399.db2.gz MAAKJEXSTCBEQN-FPLPWBNLSA-N -2 3 353.783 3.156 20 0 FGADHL Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000576700709 505573489 /nfs/dbraw/zinc/57/34/89/505573489.db2.gz MCLSDZSSXOEGPP-ZDUSSCGKSA-N -2 3 367.423 3.180 20 0 FGADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031666149 493954263 /nfs/dbraw/zinc/95/42/63/493954263.db2.gz QIDXFCMDETUBGN-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000071091765 494086243 /nfs/dbraw/zinc/08/62/43/494086243.db2.gz WGSZIVOJKQKZFA-UHFFFAOYSA-N -2 3 367.448 3.063 20 0 FGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1cccc2cccnc21 ZINC000568462584 505699621 /nfs/dbraw/zinc/69/96/21/505699621.db2.gz BGNMWZSZVDMVDD-UHFFFAOYSA-N -2 3 360.366 3.014 20 0 FGADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000055315416 494326829 /nfs/dbraw/zinc/32/68/29/494326829.db2.gz SKKKUSOZNNZBFP-UHFFFAOYSA-N -2 3 359.809 3.486 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000110276664 494964097 /nfs/dbraw/zinc/96/40/97/494964097.db2.gz HNCFIJVTOPGUBN-UHFFFAOYSA-N -2 3 363.435 3.348 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000136739754 495398869 /nfs/dbraw/zinc/39/88/69/495398869.db2.gz OWJIPQWSVZSXQN-SNVBAGLBSA-N -2 3 354.255 3.161 20 0 FGADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c2ccccc12 ZINC000182411804 495553965 /nfs/dbraw/zinc/55/39/65/495553965.db2.gz HZVADHHKNMIMBM-UHFFFAOYSA-N -2 3 374.393 3.444 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000184659619 496483040 /nfs/dbraw/zinc/48/30/40/496483040.db2.gz OKCCMTMQPFTUJN-LBPRGKRZSA-N -2 3 351.399 3.198 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])on1 ZINC000571998326 505866008 /nfs/dbraw/zinc/86/60/08/505866008.db2.gz SLVPXHUJIGOXKW-UHFFFAOYSA-N -2 3 372.468 3.125 20 0 FGADHL C[C@H]1CCc2c(sc3[n-]c(COc4ccccc4C(=O)[O-])nc(=O)c23)C1 ZINC000194399214 497653748 /nfs/dbraw/zinc/65/37/48/497653748.db2.gz XYKSVLZENGNDNL-JTQLQIEISA-N -2 3 370.430 3.387 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])on1 ZINC000575120830 505925828 /nfs/dbraw/zinc/92/58/28/505925828.db2.gz NWOTWXUVPNNBMH-UHFFFAOYSA-N -2 3 366.439 3.063 20 0 FGADHL C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000581249141 505942979 /nfs/dbraw/zinc/94/29/79/505942979.db2.gz QAGLVLQRQAIIRQ-GFCCVEGCSA-N -2 3 351.424 3.013 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000296918650 498251560 /nfs/dbraw/zinc/25/15/60/498251560.db2.gz KPTTZSODLUHJJJ-VIFPVBQESA-N -2 3 351.346 3.009 20 0 FGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000322950605 498819275 /nfs/dbraw/zinc/81/92/75/498819275.db2.gz KOKNCOJLCCKNOI-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000323220655 498819975 /nfs/dbraw/zinc/81/99/75/498819975.db2.gz QGLQJEWPMJNUOZ-JTQLQIEISA-N -2 3 373.780 3.281 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000323837023 498822453 /nfs/dbraw/zinc/82/24/53/498822453.db2.gz AUWJSMWVVZOTTF-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325569532 498837060 /nfs/dbraw/zinc/83/70/60/498837060.db2.gz LBVWPTXLLLEQOA-TZMCWYRMSA-N -2 3 365.373 3.017 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c2cccnc12 ZINC000328261114 498866309 /nfs/dbraw/zinc/86/63/09/498866309.db2.gz FAGRQNITEQQRKG-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000390321754 499554246 /nfs/dbraw/zinc/55/42/46/499554246.db2.gz YALJDJWATWFHBL-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1C(=O)[O-] ZINC000391101123 499556451 /nfs/dbraw/zinc/55/64/51/499556451.db2.gz WMVYBYMTPRMNOM-UHFFFAOYSA-N -2 3 351.449 3.470 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000392844676 499559318 /nfs/dbraw/zinc/55/93/18/499559318.db2.gz BKHUFSSQELSPPK-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1C ZINC000392789115 499559371 /nfs/dbraw/zinc/55/93/71/499559371.db2.gz KDXHBNRBDHHDAL-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000401562542 499569361 /nfs/dbraw/zinc/56/93/61/499569361.db2.gz OAFYVYLVNVIOHE-SNVBAGLBSA-N -2 3 354.255 3.161 20 0 FGADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000447401301 500601271 /nfs/dbraw/zinc/60/12/71/500601271.db2.gz XBYKZZZFXUGRTM-UHFFFAOYSA-N -2 3 367.398 3.457 20 0 FGADHL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cn[n-]c1-c1cc2ccccc2o1 ZINC000444739414 500891080 /nfs/dbraw/zinc/89/10/80/500891080.db2.gz DOYHIKOOXFSWIL-UHFFFAOYSA-N -2 3 361.283 3.239 20 0 FGADHL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1c[n-]nc1-c1cc2ccccc2o1 ZINC000444739414 500891086 /nfs/dbraw/zinc/89/10/86/500891086.db2.gz DOYHIKOOXFSWIL-UHFFFAOYSA-N -2 3 361.283 3.239 20 0 FGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436168108 501082764 /nfs/dbraw/zinc/08/27/64/501082764.db2.gz XAWMYFBHDNAPGK-UHFFFAOYSA-N -2 3 371.361 3.311 20 0 FGADHL COc1cc(/C=C\c2cc(C(=O)[O-])ccn2)cc(Br)c1[O-] ZINC000436819147 501216284 /nfs/dbraw/zinc/21/62/84/501216284.db2.gz XFWXMPSZBIYFIX-IHWYPQMZSA-N -2 3 350.168 3.427 20 0 FGADHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cc(C)ccc2[O-])[nH][n-]1 ZINC000436840652 501219412 /nfs/dbraw/zinc/21/94/12/501219412.db2.gz QEPQPTAWOYWNBT-UHFFFAOYSA-N -2 3 357.797 3.427 20 0 FGADHL CCSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436902193 501230353 /nfs/dbraw/zinc/23/03/53/501230353.db2.gz OYDXNNMGLXHIRJ-UHFFFAOYSA-N -2 3 367.448 3.312 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c2ncccc12 ZINC000463793559 501823125 /nfs/dbraw/zinc/82/31/25/501823125.db2.gz LGURHZAKNAXPDU-UHFFFAOYSA-N -2 3 374.418 3.149 20 0 FGADHL CCOCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000471119437 501925927 /nfs/dbraw/zinc/92/59/27/501925927.db2.gz UFRGHHHTIANSLV-UHFFFAOYSA-N -2 3 363.435 3.339 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1 ZINC000479236541 502201891 /nfs/dbraw/zinc/20/18/91/502201891.db2.gz AIZJESFHQKQMFB-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(C)c1 ZINC000475738547 502275128 /nfs/dbraw/zinc/27/51/28/502275128.db2.gz RDIHRSMXLPJBOE-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1coc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc12 ZINC000479547261 502293715 /nfs/dbraw/zinc/29/37/15/502293715.db2.gz VWHFWPWOKZPBSA-UHFFFAOYSA-N -2 3 361.375 3.005 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000487423314 502439986 /nfs/dbraw/zinc/43/99/86/502439986.db2.gz ZYMOETHHILNPDY-PSASIEDQSA-N -2 3 371.402 3.093 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000476482043 502501167 /nfs/dbraw/zinc/50/11/67/502501167.db2.gz NCYYIMGWEJSXDN-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000500287354 503596515 /nfs/dbraw/zinc/59/65/15/503596515.db2.gz FEGUDCSFOYOOGD-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL Cc1ccc(-c2ncc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)s2)o1 ZINC000504712715 503607406 /nfs/dbraw/zinc/60/74/06/503607406.db2.gz RVPAYMNRVIYOLK-GQCTYLIASA-N -2 3 357.391 3.313 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000516904264 503613973 /nfs/dbraw/zinc/61/39/73/503613973.db2.gz ITZUEYZUGBLHRQ-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)c1nc(C)cs1 ZINC000546251409 503687317 /nfs/dbraw/zinc/68/73/17/503687317.db2.gz QBXXMMJDJXYTNR-GFCCVEGCSA-N -2 3 372.443 3.027 20 0 FGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000530338964 503931368 /nfs/dbraw/zinc/93/13/68/503931368.db2.gz BIHDSKKKCZDJCJ-UHFFFAOYSA-N -3 3 363.391 3.007 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)sc1Cl ZINC000530435374 503964587 /nfs/dbraw/zinc/96/45/87/503964587.db2.gz XRKRRTHBLBVISZ-OTYXRUKQSA-N -2 3 365.904 3.269 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(Cl)cc1F ZINC000547566479 504148465 /nfs/dbraw/zinc/14/84/65/504148465.db2.gz WQQRTRSQSMLHDF-SNVBAGLBSA-N -2 3 365.854 3.203 20 0 FGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)(CC(=O)[O-])C1 ZINC000547567978 504149054 /nfs/dbraw/zinc/14/90/54/504149054.db2.gz JZSAKXOPVFQLEU-BONVTDFDSA-N -2 3 363.838 3.039 20 0 FGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1)C(=O)[O-] ZINC000547609737 504155193 /nfs/dbraw/zinc/15/51/93/504155193.db2.gz WJXCTLSRCWJWBC-GFCCVEGCSA-N -2 3 374.418 3.033 20 0 FGADHL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538296084 504195345 /nfs/dbraw/zinc/19/53/45/504195345.db2.gz KCBZTUSBLUMOPI-UHFFFAOYSA-N -2 3 351.424 3.381 20 0 FGADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547892207 504259186 /nfs/dbraw/zinc/25/91/86/504259186.db2.gz XFZVTSTZGQGWFE-PBHICJAKSA-N -2 3 367.854 3.415 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(Cl)cc1F ZINC000547901006 504260214 /nfs/dbraw/zinc/26/02/14/504260214.db2.gz GZTXMKOZFHZYAP-JTQLQIEISA-N -2 3 351.827 3.099 20 0 FGADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547913936 504262320 /nfs/dbraw/zinc/26/23/20/504262320.db2.gz XRMVMUWGJRZHLF-VHSXEESVSA-N -2 3 351.877 3.103 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(C)c1C ZINC000534881490 504270382 /nfs/dbraw/zinc/27/03/82/504270382.db2.gz LNMTXWHCKBVKSQ-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL O=C([N-]c1nc(-c2ccc(Cl)cc2)n[n-]1)c1cc(-c2ccccn2)no1 ZINC000531428296 504302685 /nfs/dbraw/zinc/30/26/85/504302685.db2.gz HYHQUNOHPWMWSE-UHFFFAOYSA-N -2 3 366.768 3.427 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000548206798 504367453 /nfs/dbraw/zinc/36/74/53/504367453.db2.gz DEQGLPBAZBNPJT-UHFFFAOYSA-N -2 3 361.419 3.127 20 0 FGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000548590399 504487590 /nfs/dbraw/zinc/48/75/90/504487590.db2.gz MPQVJXLGLREBRR-JOYOIKCWSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1cccc([O-])c1NC(=O)c1ccc(I)c([O-])c1 ZINC000545502042 504508022 /nfs/dbraw/zinc/50/80/22/504508022.db2.gz VUQQPZKWZUYZSX-UHFFFAOYSA-N -2 3 369.158 3.263 20 0 FGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000559315299 504831007 /nfs/dbraw/zinc/83/10/07/504831007.db2.gz CAQPQVDUTOINAB-VIFPVBQESA-N -2 3 368.282 3.409 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)cc1C(=O)[O-] ZINC000562937536 504993511 /nfs/dbraw/zinc/99/35/11/504993511.db2.gz AFKGVJKIHIITNT-UHFFFAOYSA-N -2 3 373.430 3.403 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560415905 505077253 /nfs/dbraw/zinc/07/72/53/505077253.db2.gz HMDOBYINYGJBJL-LBPRGKRZSA-N -2 3 373.780 3.138 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000563591357 505186191 /nfs/dbraw/zinc/18/61/91/505186191.db2.gz ARQKLVMSJLNHRE-NSHDSACASA-N -2 3 365.854 3.429 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000567301719 505422782 /nfs/dbraw/zinc/42/27/82/505422782.db2.gz PDEKUTNCCGLINP-LBPRGKRZSA-N -2 3 359.831 3.172 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](CC(C)C)c2cccs2)cc1C(=O)[O-] ZINC000583379130 506748023 /nfs/dbraw/zinc/74/80/23/506748023.db2.gz HQMHVKRFOYFSTI-LBPRGKRZSA-N -2 3 357.453 3.413 20 0 FGADHL COc1ccc(CN=c2ccc(OC(C)C)n[n-]2)c(Br)c1[O-] ZINC000517064160 518006111 /nfs/dbraw/zinc/00/61/11/518006111.db2.gz VHMZGKIHPLKOHH-UHFFFAOYSA-N -2 3 368.231 3.353 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CCC2)o1 ZINC000740174445 599779675 /nfs/dbraw/zinc/77/96/75/599779675.db2.gz YWUYMMMLWWIUAI-OAHLLOKOSA-N -2 3 369.826 3.451 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c(F)c1 ZINC000740154608 600395324 /nfs/dbraw/zinc/39/53/24/600395324.db2.gz IHDKRMAXPSCXQZ-UHFFFAOYSA-N -2 3 365.169 3.027 20 0 FGADHL CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829223099 600761827 /nfs/dbraw/zinc/76/18/27/600761827.db2.gz LHDSCFFAEDTKGE-AWEZNQCLSA-N -2 3 351.424 3.058 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000327473326 600994150 /nfs/dbraw/zinc/99/41/50/600994150.db2.gz KEPZTSPIZVSJRJ-NSHDSACASA-N -2 3 369.389 3.135 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000833029006 601222439 /nfs/dbraw/zinc/22/24/39/601222439.db2.gz WMYPOGOEQBOVDA-SSDOTTSWSA-N -2 3 361.778 3.118 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(F)cc1F ZINC000833300806 601782866 /nfs/dbraw/zinc/78/28/66/601782866.db2.gz MAWNDTOVPYCNIY-UHFFFAOYSA-N -2 3 370.358 3.074 20 0 FGADHL O=C([O-])N[C@@H]1CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000738652108 602025915 /nfs/dbraw/zinc/02/59/15/602025915.db2.gz ANMBYKZPCLORPK-QGZVFWFLSA-N -2 3 368.433 3.050 20 0 FGADHL O=C([O-])N1CCCc2cc(NC(=O)c3nnc4ccccc4c3[O-])ccc21 ZINC000740470891 602592078 /nfs/dbraw/zinc/59/20/78/602592078.db2.gz CVZYTCRPOYNYMS-UHFFFAOYSA-N -2 3 364.361 3.018 20 0 FGADHL O=C([O-])Nc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000832838070 604100014 /nfs/dbraw/zinc/10/00/14/604100014.db2.gz DEZGUQDIODVAKK-UHFFFAOYSA-N -2 3 351.156 3.497 20 0 FGADHL CC(C)(C(=O)[O-])[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000826102573 604502368 /nfs/dbraw/zinc/50/23/68/604502368.db2.gz BXSLFVYQSOIGJP-MRXNPFEDSA-N -2 3 360.385 3.183 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c(C)c1F ZINC000833734802 605263361 /nfs/dbraw/zinc/26/33/61/605263361.db2.gz XPGQMVCDNBPNRI-UHFFFAOYSA-N -2 3 368.386 3.058 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C)oc1C(=O)[O-] ZINC000663418305 720511394 /nfs/dbraw/zinc/51/13/94/720511394.db2.gz DPCSYBYFNXAXJW-OAHLLOKOSA-N -2 3 351.424 3.352 20 0 FGADHL COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C)cc1C ZINC000794614715 723535470 /nfs/dbraw/zinc/53/54/70/723535470.db2.gz XFGCNJFJSIVTKC-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768886122 723671024 /nfs/dbraw/zinc/67/10/24/723671024.db2.gz AYVWSNFHCWVZQZ-BQYQJAHWSA-N -2 3 367.810 3.459 20 0 FGADHL O=C([O-])C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1F ZINC000776660700 724167998 /nfs/dbraw/zinc/16/79/98/724167998.db2.gz NGTWEXALQMCLQL-AWEZNQCLSA-N -2 3 355.287 3.389 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000570798876 505583691 /nfs/dbraw/zinc/58/36/91/505583691.db2.gz GANGRSUDBKVJHS-ZYHUDNBSSA-N -2 3 373.883 3.012 20 0 FGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000036751794 494097683 /nfs/dbraw/zinc/09/76/83/494097683.db2.gz BICKDHSWCVJWSN-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000037374731 494104331 /nfs/dbraw/zinc/10/43/31/494104331.db2.gz XWNJMXSBRPAZSP-UHFFFAOYSA-N -2 3 366.247 3.232 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1Br ZINC000131536059 494650730 /nfs/dbraw/zinc/65/07/30/494650730.db2.gz AARPTMZUOVPIEA-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(C)c1C(=O)[O-] ZINC000132814960 494929011 /nfs/dbraw/zinc/92/90/11/494929011.db2.gz DUQCDXBHPFMYQN-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000134620267 495176768 /nfs/dbraw/zinc/17/67/68/495176768.db2.gz SENNQLKCJNFRLI-UHFFFAOYSA-N -2 3 351.399 3.342 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000129754089 495290576 /nfs/dbraw/zinc/29/05/76/495290576.db2.gz OJDGCXXLWGWSFK-JTQLQIEISA-N -2 3 366.247 3.159 20 0 FGADHL Cc1nc(C)c(CCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(=O)[n-]1 ZINC000273655515 496865770 /nfs/dbraw/zinc/86/57/70/496865770.db2.gz VFTKPCZBWQFPMC-UHFFFAOYSA-N -2 3 356.209 3.383 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C(=O)[O-])s3)c2)n1 ZINC000237112254 497192879 /nfs/dbraw/zinc/19/28/79/497192879.db2.gz TXKXBJJWYXASDA-UHFFFAOYSA-N -2 3 369.402 3.011 20 0 FGADHL O=S(=O)(CCC1Cc2ccccc2C1)Nc1cc([O-])c(F)cc1F ZINC000581432762 505987706 /nfs/dbraw/zinc/98/77/06/505987706.db2.gz JRMUUGWVDVWDEM-UHFFFAOYSA-N -2 3 353.390 3.217 20 0 FGADHL O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1cc([O-])c(F)cc1F ZINC000581432762 505987710 /nfs/dbraw/zinc/98/77/10/505987710.db2.gz JRMUUGWVDVWDEM-UHFFFAOYSA-N -2 3 353.390 3.217 20 0 FGADHL O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000578749928 506011908 /nfs/dbraw/zinc/01/19/08/506011908.db2.gz RCVFDUFYGMNXNJ-QWHCGFSZSA-N -2 3 367.854 3.415 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000316184844 498787064 /nfs/dbraw/zinc/78/70/64/498787064.db2.gz ZAAGREUTKCICNA-ZJUUUORDSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000318246675 498797421 /nfs/dbraw/zinc/79/74/21/498797421.db2.gz CNFTUURKUIOMHK-MGCOHNPYSA-N -2 3 366.266 3.163 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000324190860 498825849 /nfs/dbraw/zinc/82/58/49/498825849.db2.gz JULFMRMZTWDKEK-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000325920339 498839847 /nfs/dbraw/zinc/83/98/47/498839847.db2.gz PWVQPZGKQSMNJK-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(=O)[O-])c1 ZINC000326765101 498848220 /nfs/dbraw/zinc/84/82/20/498848220.db2.gz OYLAQAQVVYDTJO-UHFFFAOYSA-N -2 3 369.826 3.410 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c(Cl)c1 ZINC000390007373 499553298 /nfs/dbraw/zinc/55/32/98/499553298.db2.gz RURNOLYZSPRVRJ-SNVBAGLBSA-N -2 3 367.801 3.142 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000391794495 499557276 /nfs/dbraw/zinc/55/72/76/499557276.db2.gz HUOBNXVOODRWCH-SECBINFHSA-N -2 3 373.780 3.281 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1)CC(F)(F)F ZINC000402595977 499569612 /nfs/dbraw/zinc/56/96/12/499569612.db2.gz LYAOZQXGWRQNSX-QMMMGPOBSA-N -2 3 359.391 3.012 20 0 FGADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432769405 500560838 /nfs/dbraw/zinc/56/08/38/500560838.db2.gz OGXXAXHPNYHERK-UHFFFAOYSA-N -2 3 362.451 3.375 20 0 FGADHL COc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1OC(C)C ZINC000443456310 500727166 /nfs/dbraw/zinc/72/71/66/500727166.db2.gz UDPMRSQCMOORTH-CSKARUKUSA-N -2 3 372.421 3.474 20 0 FGADHL CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000445199541 500953562 /nfs/dbraw/zinc/95/35/62/500953562.db2.gz RVVJOVNRRLKHID-UHFFFAOYSA-N -2 3 365.798 3.134 20 0 FGADHL O=C(c1[n-]cnc1-c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000436877490 501226061 /nfs/dbraw/zinc/22/60/61/501226061.db2.gz GPXIMCWHJGSGDR-UHFFFAOYSA-N -2 3 350.309 3.202 20 0 FGADHL O=C(c1nc[n-]c1-c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000436877490 501226063 /nfs/dbraw/zinc/22/60/63/501226063.db2.gz GPXIMCWHJGSGDR-UHFFFAOYSA-N -2 3 350.309 3.202 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1nccs1 ZINC000451215330 501252986 /nfs/dbraw/zinc/25/29/86/501252986.db2.gz GMPSJUDKOUGQEW-SECBINFHSA-N -2 3 366.386 3.297 20 0 FGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481605873 501830338 /nfs/dbraw/zinc/83/03/38/501830338.db2.gz HCHKQKRWRBJFAD-UHFFFAOYSA-N -2 3 366.464 3.263 20 0 FGADHL O=C(CCCc1ccc([O-])c(F)c1)N=c1nc(-c2ccsc2)[n-]s1 ZINC000468916855 502229518 /nfs/dbraw/zinc/22/95/18/502229518.db2.gz JUAUECZYNKQODU-UHFFFAOYSA-N -2 3 363.439 3.495 20 0 FGADHL CSc1nc([N-]C(=O)c2cc(-c3ccccc3C(F)(F)F)on2)n[n-]1 ZINC000462015866 502275651 /nfs/dbraw/zinc/27/56/51/502275651.db2.gz LGVUDAQMEHTSIE-UHFFFAOYSA-N -2 3 369.328 3.453 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1 ZINC000476261211 502434730 /nfs/dbraw/zinc/43/47/30/502434730.db2.gz RYKWLTXQCKKPEH-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000476262291 502436079 /nfs/dbraw/zinc/43/60/79/502436079.db2.gz SPLVASADYLIGHR-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000484551930 502667553 /nfs/dbraw/zinc/66/75/53/502667553.db2.gz KWCIABYHQRFSSC-UHFFFAOYSA-N -2 3 371.842 3.316 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1C(=O)[O-] ZINC000484794185 502741246 /nfs/dbraw/zinc/74/12/46/502741246.db2.gz LXIAGCHCNVETKV-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC(Cc3ccccc3C(=O)[O-])CC2)n1 ZINC000515356649 503323355 /nfs/dbraw/zinc/32/33/55/503323355.db2.gz BWLLPKFTXVTCTL-AWEZNQCLSA-N -2 3 355.438 3.205 20 0 FGADHL Cc1nc(C=Cc2ccc(OC(F)F)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712390 503607446 /nfs/dbraw/zinc/60/74/46/503607446.db2.gz PAQPORGKONAJBU-HYXAFXHYSA-N -2 3 354.284 3.029 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000527490584 503808714 /nfs/dbraw/zinc/80/87/14/503808714.db2.gz ZACSZEODXRQJRA-UHFFFAOYSA-N -2 3 369.782 3.164 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1coc(-c2ccccc2Cl)n1 ZINC000540656446 503847533 /nfs/dbraw/zinc/84/75/33/503847533.db2.gz NOBOWLKCNNWQTJ-UHFFFAOYSA-N -2 3 357.679 3.384 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000547609294 504155437 /nfs/dbraw/zinc/15/54/37/504155437.db2.gz RTVGKOJRNADQGE-GHMZBOCLSA-N -2 3 371.430 3.438 20 0 FGADHL O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc(F)c(F)c([O-])c1F ZINC000544559241 504174043 /nfs/dbraw/zinc/17/40/43/504174043.db2.gz XYYXMQBAMZDXRY-UHFFFAOYSA-N -2 3 357.235 3.018 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)ccc2-n2cc(C)cn2)c1 ZINC000538296221 504194606 /nfs/dbraw/zinc/19/46/06/504194606.db2.gz ISEQGENNFBGTHP-UHFFFAOYSA-N -2 3 373.434 3.004 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c1 ZINC000538298808 504195993 /nfs/dbraw/zinc/19/59/93/504195993.db2.gz PWNXNRQFSRKGKF-UHFFFAOYSA-N -2 3 353.465 3.107 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1F ZINC000547916077 504262134 /nfs/dbraw/zinc/26/21/34/504262134.db2.gz FSLLIZNVAUZKCL-ZDUSSCGKSA-N -2 3 371.817 3.282 20 0 FGADHL Cc1ccc(CS(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c(F)c1 ZINC000519593765 504266897 /nfs/dbraw/zinc/26/68/97/504266897.db2.gz GZWMKKGXYCONBG-UHFFFAOYSA-N -2 3 362.382 3.256 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000547963298 504275702 /nfs/dbraw/zinc/27/57/02/504275702.db2.gz SNPJMWIZNMICDR-MRVPVSSYSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000548207724 504367500 /nfs/dbraw/zinc/36/75/00/504367500.db2.gz NKSVDMLPBVDYRL-UHFFFAOYSA-N -2 3 355.362 3.222 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c1Cl ZINC000548239439 504373761 /nfs/dbraw/zinc/37/37/61/504373761.db2.gz ILHHLWUWVGENAR-QMMMGPOBSA-N -2 3 354.255 3.081 20 0 FGADHL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000542861223 504638410 /nfs/dbraw/zinc/63/84/10/504638410.db2.gz APDQYBMLJZNABT-UHFFFAOYSA-N -2 3 374.418 3.177 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000521231372 504688909 /nfs/dbraw/zinc/68/89/09/504688909.db2.gz HJFJAURTBZEAKP-LLVKDONJSA-N -2 3 367.423 3.113 20 0 FGADHL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(C(C)=O)c2[O-])n1 ZINC000560549441 505122571 /nfs/dbraw/zinc/12/25/71/505122571.db2.gz FNDMBLIXZWTLKR-UHFFFAOYSA-N -2 3 365.389 3.301 20 0 FGADHL O=C(N=c1cc2ccccn2[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000566581272 505211559 /nfs/dbraw/zinc/21/15/59/505211559.db2.gz ILPYPVVKLDJMBY-UHFFFAOYSA-N -2 3 366.602 3.130 20 0 FGADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000551597240 505264898 /nfs/dbraw/zinc/26/48/98/505264898.db2.gz OIWYLEMUXFUKSM-HNNXBMFYSA-N -2 3 367.389 3.052 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000584216459 507219843 /nfs/dbraw/zinc/21/98/43/507219843.db2.gz QLEJJYRAQNPZEZ-MFKMUULPSA-N -2 3 363.838 3.181 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000584220469 507220884 /nfs/dbraw/zinc/22/08/84/507220884.db2.gz TVBGZAYVLGETNI-UHFFFAOYSA-N -3 3 355.799 3.107 20 0 FGADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(F)cc2[n-]nnc21 ZINC000503543988 515078222 /nfs/dbraw/zinc/07/82/22/515078222.db2.gz WRGGNDLONGCKST-UHFFFAOYSA-N -2 3 362.777 3.454 20 0 FGADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(F)cc2nn[n-]c21 ZINC000503543988 515078235 /nfs/dbraw/zinc/07/82/35/515078235.db2.gz WRGGNDLONGCKST-UHFFFAOYSA-N -2 3 362.777 3.454 20 0 FGADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc(F)cc2n[n-]nc21 ZINC000503543988 515078241 /nfs/dbraw/zinc/07/82/41/515078241.db2.gz WRGGNDLONGCKST-UHFFFAOYSA-N -2 3 362.777 3.454 20 0 FGADHL Cc1ccc(-c2cc(=NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)[nH][n-]2)o1 ZINC000616822937 520162786 /nfs/dbraw/zinc/16/27/86/520162786.db2.gz DSIPWTICEABGCN-UHFFFAOYSA-N -2 3 355.398 3.332 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Oc3ccccc3)c2)o1 ZINC000740176904 599771744 /nfs/dbraw/zinc/77/17/44/599771744.db2.gz YQQHWQNAZKWBIU-UHFFFAOYSA-N -2 3 373.386 3.249 20 0 FGADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)c([O-])c2O1 ZINC000736736909 600109122 /nfs/dbraw/zinc/10/91/22/600109122.db2.gz IKAPEOWPZYYEJD-UHFFFAOYSA-N -2 3 371.389 3.212 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1N1CCCC1 ZINC000738463263 600244481 /nfs/dbraw/zinc/24/44/81/600244481.db2.gz IMAOIESPZGUKAU-UHFFFAOYSA-N -2 3 374.462 3.023 20 0 FGADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])CC2 ZINC000739533718 600319851 /nfs/dbraw/zinc/31/98/51/600319851.db2.gz VTFJGZWDWZTWKE-GOSISDBHSA-N -2 3 365.429 3.310 20 0 FGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738577399 600489361 /nfs/dbraw/zinc/48/93/61/600489361.db2.gz VBYGUXDKGVKDRT-UHFFFAOYSA-N -2 3 363.435 3.348 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000828883747 601229243 /nfs/dbraw/zinc/22/92/43/601229243.db2.gz JWCZKIUZNQHNBB-LLVKDONJSA-N -2 3 369.389 3.135 20 0 FGADHL CCC(CC)(CC(=O)[O-])NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000828785027 601271142 /nfs/dbraw/zinc/27/11/42/601271142.db2.gz ZMPHLYSBDHKJBB-UHFFFAOYSA-N -2 3 372.425 3.313 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NCC(CC)(CC)NC(=O)[O-])nc2)n1 ZINC000827556380 603525396 /nfs/dbraw/zinc/52/53/96/603525396.db2.gz ICPMOVANRZJXOY-UHFFFAOYSA-N -2 3 359.430 3.045 20 0 FGADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833211976 604671871 /nfs/dbraw/zinc/67/18/71/604671871.db2.gz QZQFARGUQLYKHW-QGZVFWFLSA-N -2 3 353.418 3.257 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000830259690 604808108 /nfs/dbraw/zinc/80/81/08/604808108.db2.gz CSTBEPKSTQQBSC-UHFFFAOYSA-N -2 3 369.826 3.167 20 0 FGADHL O=C([O-])Nc1ccccc1CC(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000834272383 606097988 /nfs/dbraw/zinc/09/79/88/606097988.db2.gz BFAFAHQWKJHZDZ-UHFFFAOYSA-N -2 3 373.319 3.021 20 0 FGADHL O=C([O-])CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2o1 ZINC000823387788 606304832 /nfs/dbraw/zinc/30/48/32/606304832.db2.gz XYDDFKHVZBDKGH-WEVVVXLNSA-N -2 3 353.363 3.085 20 0 FGADHL O=C([O-])CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2o1 ZINC000823387788 606304833 /nfs/dbraw/zinc/30/48/33/606304833.db2.gz XYDDFKHVZBDKGH-WEVVVXLNSA-N -2 3 353.363 3.085 20 0 FGADHL CCC[C@@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000821016375 606328005 /nfs/dbraw/zinc/32/80/05/606328005.db2.gz VIWVHVHCQWEYNW-SNVBAGLBSA-N -2 3 372.454 3.319 20 0 FGADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000379290577 713975493 /nfs/dbraw/zinc/97/54/93/713975493.db2.gz JPQLPNDSJSBNES-UHFFFAOYSA-N -2 3 362.181 3.015 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc(C(=O)[O-])c1 ZINC000507569841 714120188 /nfs/dbraw/zinc/12/01/88/714120188.db2.gz SEWHHENSRNYBDN-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000657143492 719574629 /nfs/dbraw/zinc/57/46/29/719574629.db2.gz XNTYAKZSQMJDGT-SKDRFNHKSA-N -2 3 363.838 3.037 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)oc1C(=O)[O-] ZINC000663418303 720511317 /nfs/dbraw/zinc/51/13/17/720511317.db2.gz DPCSYBYFNXAXJW-HNNXBMFYSA-N -2 3 351.424 3.352 20 0 FGADHL O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000673925473 721677219 /nfs/dbraw/zinc/67/72/19/721677219.db2.gz XBIWXJGPDZVUJM-UHFFFAOYSA-N -2 3 365.723 3.467 20 0 FGADHL Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738275915 722529633 /nfs/dbraw/zinc/52/96/33/722529633.db2.gz GXVVVKLHIWDAOI-UHFFFAOYSA-N -2 3 363.370 3.391 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000743264606 722565403 /nfs/dbraw/zinc/56/54/03/722565403.db2.gz UQOFXUSPFIJKHJ-CMDGGOBGSA-N -2 3 367.810 3.459 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc3ccccc3c(C(=O)[O-])c2)cc1 ZINC000751546504 722812694 /nfs/dbraw/zinc/81/26/94/722812694.db2.gz NZPYGGUIUYSHJR-UHFFFAOYSA-N -2 3 357.387 3.347 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000761286500 723140401 /nfs/dbraw/zinc/14/04/01/723140401.db2.gz JRFCNSNCQQHTAD-NSHDSACASA-N -2 3 369.389 3.135 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc2ccccc2)sc1Cl ZINC000788697116 725081776 /nfs/dbraw/zinc/08/17/76/725081776.db2.gz NBZGOXQCEQKCMQ-LBPRGKRZSA-N -2 3 373.883 3.074 20 0 FGADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000576700548 505573731 /nfs/dbraw/zinc/57/37/31/505573731.db2.gz IPTQLEZUJVLTJJ-UHFFFAOYSA-N -2 3 359.856 3.230 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000579561288 505575677 /nfs/dbraw/zinc/57/56/77/505575677.db2.gz AHNRKOQSNKVHFP-ZYHUDNBSSA-N -2 3 363.838 3.181 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000037375218 494104197 /nfs/dbraw/zinc/10/41/97/494104197.db2.gz RZVCASDXSKRRCV-SNVBAGLBSA-N -2 3 366.247 3.159 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000013262891 494283532 /nfs/dbraw/zinc/28/35/32/494283532.db2.gz UDSJKLVODJAZSL-UHFFFAOYSA-N -2 3 352.239 3.059 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000151635244 495900700 /nfs/dbraw/zinc/90/07/00/495900700.db2.gz XJCDINUEIOKJRB-UHFFFAOYSA-N -2 3 356.603 3.444 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C)c1CC(=O)[O-] ZINC000181199436 496308074 /nfs/dbraw/zinc/30/80/74/496308074.db2.gz XSWAWBSIFKQHRX-UHFFFAOYSA-N -2 3 369.389 3.318 20 0 FGADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000175688170 496500466 /nfs/dbraw/zinc/50/04/66/496500466.db2.gz AERNIYKVJXFQRT-UHFFFAOYSA-N -2 3 362.451 3.494 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1nc(C)cs1 ZINC000185007116 496619577 /nfs/dbraw/zinc/61/95/77/496619577.db2.gz VVWIMXYVNYDSOP-GFCCVEGCSA-N -2 3 374.871 3.233 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000296918646 498251259 /nfs/dbraw/zinc/25/12/59/498251259.db2.gz KPTTZSODLUHJJJ-SECBINFHSA-N -2 3 351.346 3.009 20 0 FGADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000578797828 506022767 /nfs/dbraw/zinc/02/27/67/506022767.db2.gz PSGONLWGBHUVTH-UHFFFAOYSA-N -2 3 358.785 3.026 20 0 FGADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000321969762 498814837 /nfs/dbraw/zinc/81/48/37/498814837.db2.gz HKNDPXVKGDNDFX-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000298879546 498905659 /nfs/dbraw/zinc/90/56/59/498905659.db2.gz XTPIWSQTOSMVDW-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000392908881 499559635 /nfs/dbraw/zinc/55/96/35/499559635.db2.gz VXPXZXRDFCIMHV-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000421162145 499977671 /nfs/dbraw/zinc/97/76/71/499977671.db2.gz YTFRDTYFZWYDNR-XJKSGUPXSA-N -2 3 357.472 3.068 20 0 FGADHL Cc1cc(=NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2[O-])[n-]o1 ZINC000430404948 500236153 /nfs/dbraw/zinc/23/61/53/500236153.db2.gz QUROLUYLEPWQDH-UHFFFAOYSA-N -2 3 361.357 3.291 20 0 FGADHL Cc1cc(=NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)[n-]o1 ZINC000430404948 500236154 /nfs/dbraw/zinc/23/61/54/500236154.db2.gz QUROLUYLEPWQDH-UHFFFAOYSA-N -2 3 361.357 3.291 20 0 FGADHL COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)c(Br)c1[O-] ZINC000426773327 500318310 /nfs/dbraw/zinc/31/83/10/500318310.db2.gz OMSGWYJCXLOJTQ-AWEZNQCLSA-N -2 3 366.211 3.079 20 0 FGADHL COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)cc(Br)c1[O-] ZINC000426820299 500324986 /nfs/dbraw/zinc/32/49/86/500324986.db2.gz YGICTUDRXBEDJL-LBPRGKRZSA-N -2 3 372.240 3.140 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000432729954 500553312 /nfs/dbraw/zinc/55/33/12/500553312.db2.gz SONYPZGVLPYCJD-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3[O-])cc2O1 ZINC000442853596 500635127 /nfs/dbraw/zinc/63/51/27/500635127.db2.gz UVZTZJRIIIOSPU-QGZVFWFLSA-N -2 3 365.407 3.099 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1C ZINC000435730696 501019773 /nfs/dbraw/zinc/01/97/73/501019773.db2.gz ZIIZSRYSVMTYBN-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=c1cc(C(F)F)nc(SCc2noc(-c3ccccc3[O-])n2)[n-]1 ZINC000436888534 501227999 /nfs/dbraw/zinc/22/79/99/501227999.db2.gz SZVXBOTZAUKMLT-UHFFFAOYSA-N -2 3 352.322 3.168 20 0 FGADHL O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(Br)c([O-])c1 ZINC000480441943 502570425 /nfs/dbraw/zinc/57/04/25/502570425.db2.gz WYYOVCRUANFFSX-UHFFFAOYSA-N -2 3 358.195 3.219 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000484228412 502603095 /nfs/dbraw/zinc/60/30/95/502603095.db2.gz CSERIDVUTUWJQL-UHFFFAOYSA-N -2 3 356.403 3.489 20 0 FGADHL CCCOc1c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cccc1OCC ZINC000470260434 502718691 /nfs/dbraw/zinc/71/86/91/502718691.db2.gz CHYNCVYUSAOBGB-KTKRTIGZSA-N -2 3 372.421 3.476 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1F ZINC000489607452 502997551 /nfs/dbraw/zinc/99/75/51/502997551.db2.gz SIDCJUZWRFUSPZ-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1C(=O)[O-] ZINC000499506154 503421258 /nfs/dbraw/zinc/42/12/58/503421258.db2.gz ORGJKKOKUSXLGD-UHFFFAOYSA-N -2 3 365.382 3.211 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000582700458 506371410 /nfs/dbraw/zinc/37/14/10/506371410.db2.gz GHNBCKTVZUFTSM-VIFPVBQESA-N -2 3 371.352 3.156 20 0 FGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc(Cl)c2O1 ZINC000504299360 503551510 /nfs/dbraw/zinc/55/15/10/503551510.db2.gz NMLYNECKHOVXRK-QMMMGPOBSA-N -2 3 357.790 3.309 20 0 FGADHL COc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1OC(C)C ZINC000504731575 503610108 /nfs/dbraw/zinc/61/01/08/503610108.db2.gz PNQFOSXOLYIWDG-HJWRWDBZSA-N -2 3 358.394 3.084 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3cc(C)cc(C)c3)[nH]n2)c1 ZINC000537196676 503836488 /nfs/dbraw/zinc/83/64/88/503836488.db2.gz GVOFDBCEFDWBDG-UHFFFAOYSA-N -2 3 373.434 3.209 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3cc(C)cc(C)c3)n[nH]2)c1 ZINC000537196676 503836493 /nfs/dbraw/zinc/83/64/93/503836493.db2.gz GVOFDBCEFDWBDG-UHFFFAOYSA-N -2 3 373.434 3.209 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000530368992 503939163 /nfs/dbraw/zinc/93/91/63/503939163.db2.gz CGFZNRIQYFVKFL-FZMZJTMJSA-N -2 3 369.439 3.200 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c(F)cc1F ZINC000547557010 504147873 /nfs/dbraw/zinc/14/78/73/504147873.db2.gz GQYLLODMLLGHPH-HNNXBMFYSA-N -2 3 369.389 3.158 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000547573028 504149875 /nfs/dbraw/zinc/14/98/75/504149875.db2.gz IDOFGZSKAQLSOE-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000547610115 504155754 /nfs/dbraw/zinc/15/57/54/504155754.db2.gz ANOCVSFMRPSTJQ-CYBMUJFWSA-N -2 3 350.440 3.090 20 0 FGADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC000547610337 504155971 /nfs/dbraw/zinc/15/59/71/504155971.db2.gz MAWXYMLJWHBTQP-LBPRGKRZSA-N -2 3 374.418 3.348 20 0 FGADHL COCc1cccc(S(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])c1 ZINC000547889433 504259580 /nfs/dbraw/zinc/25/95/80/504259580.db2.gz QAHYSMMNZFNVIQ-UHFFFAOYSA-N -2 3 369.826 3.294 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CC(=O)[O-] ZINC000547940010 504265787 /nfs/dbraw/zinc/26/57/87/504265787.db2.gz BQEBJQCPHLPKAK-VIFPVBQESA-N -2 3 354.255 3.081 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000548208940 504369081 /nfs/dbraw/zinc/36/90/81/504369081.db2.gz WETJSHUETWGMOG-UHFFFAOYSA-N -2 3 359.325 3.052 20 0 FGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000548596938 504488598 /nfs/dbraw/zinc/48/85/98/504488598.db2.gz XMGDEUFKDPKXIQ-LBPRGKRZSA-N -2 3 371.817 3.016 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000539397526 504556529 /nfs/dbraw/zinc/55/65/29/504556529.db2.gz PBSFDDHXOLUSQC-UHFFFAOYSA-N -2 3 372.402 3.389 20 0 FGADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000556415903 504868437 /nfs/dbraw/zinc/86/84/37/504868437.db2.gz KKXIFIQKNRBRFE-CYBMUJFWSA-N -2 3 353.893 3.349 20 0 FGADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000564063699 505315726 /nfs/dbraw/zinc/31/57/26/505315726.db2.gz HTWUIIJWZKCKMW-ARJAWSKDSA-N -2 3 361.419 3.156 20 0 FGADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2[O-])CCCC1 ZINC000564693195 505493534 /nfs/dbraw/zinc/49/35/34/505493534.db2.gz LLTMZBZXQUENHS-UHFFFAOYSA-N -2 3 369.483 3.165 20 0 FGADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000583475496 506798225 /nfs/dbraw/zinc/79/82/25/506798225.db2.gz QDTWXVYCSWBDEL-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583737361 506944045 /nfs/dbraw/zinc/94/40/45/506944045.db2.gz QCMUOZLNPXHLFB-IINYFYTJSA-N -2 3 363.838 3.181 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(C)c1C ZINC000606342998 507367738 /nfs/dbraw/zinc/36/77/38/507367738.db2.gz PUNQMKPKILRCSI-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCOCC1CCCC1 ZINC000584708231 507463698 /nfs/dbraw/zinc/46/36/98/507463698.db2.gz DUMVMWRCCAZZFU-UHFFFAOYSA-N -2 3 373.496 3.055 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2)o1 ZINC000740172686 599766839 /nfs/dbraw/zinc/76/68/39/599766839.db2.gz DSAIZHTXJTYBLE-INIZCTEOSA-N -2 3 371.414 3.240 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000327448827 599852507 /nfs/dbraw/zinc/85/25/07/599852507.db2.gz IFHBRNOGVABIFQ-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000737869092 600100940 /nfs/dbraw/zinc/10/09/40/600100940.db2.gz YSAOAJDIGMTOBW-UHFFFAOYSA-N -2 3 368.386 3.342 20 0 FGADHL O=C([O-])Nc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000740055728 600571283 /nfs/dbraw/zinc/57/12/83/600571283.db2.gz HPRZQTNXOPWDAG-UHFFFAOYSA-N -2 3 351.156 3.497 20 0 FGADHL CCC(CC)([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000828848960 600790482 /nfs/dbraw/zinc/79/04/82/600790482.db2.gz AWDVHOKQLSZRQC-UHFFFAOYSA-N -2 3 354.255 3.224 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1Cl ZINC000832972624 601486242 /nfs/dbraw/zinc/48/62/42/601486242.db2.gz GLAYJPTXCFACMK-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000677234667 602321734 /nfs/dbraw/zinc/32/17/34/602321734.db2.gz BQNYLYOQYBZGHA-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL O=C([O-])Nc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000740695412 602469852 /nfs/dbraw/zinc/46/98/52/602469852.db2.gz OSUODBYWNMJAOT-UHFFFAOYSA-N -2 3 374.360 3.362 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000829511001 603401228 /nfs/dbraw/zinc/40/12/28/603401228.db2.gz RDEGYZHEBRSODR-LBPRGKRZSA-N -2 3 364.423 3.133 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000833662343 605168883 /nfs/dbraw/zinc/16/88/83/605168883.db2.gz CDMQFTXBSJCWGH-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL CCN(C(=O)c1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825385277 608582624 /nfs/dbraw/zinc/58/26/24/608582624.db2.gz BEQLHPHTXODOAU-LLVKDONJSA-N -2 3 371.828 3.449 20 0 FGADHL CCN(C(=O)c1cccc(Cl)c1[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825385277 608582625 /nfs/dbraw/zinc/58/26/25/608582625.db2.gz BEQLHPHTXODOAU-LLVKDONJSA-N -2 3 371.828 3.449 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1nnc2ccccc2c1[O-] ZINC000155534097 705082121 /nfs/dbraw/zinc/08/21/21/705082121.db2.gz YPLCHCYHOCHSIK-UHFFFAOYSA-N -2 3 350.161 3.188 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1Cl ZINC000156254924 705107876 /nfs/dbraw/zinc/10/78/76/705107876.db2.gz BMPNHKDAKULFHN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CO1 ZINC000629294876 716255560 /nfs/dbraw/zinc/25/55/60/716255560.db2.gz FBWWGEMVVUDVPT-QMMMGPOBSA-N -2 3 368.238 3.001 20 0 FGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C(C)C ZINC000647128151 718333683 /nfs/dbraw/zinc/33/36/83/718333683.db2.gz RJYDZVNNNVIQOR-NSHDSACASA-N -2 3 370.254 3.104 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000663422636 720511909 /nfs/dbraw/zinc/51/19/09/720511909.db2.gz GMXFSWFGEZDONG-TZMCWYRMSA-N -2 3 367.398 3.040 20 0 FGADHL Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000681559973 722211242 /nfs/dbraw/zinc/21/12/42/722211242.db2.gz WHBDWJZYSIUMOW-AWEZNQCLSA-N -2 3 371.817 3.282 20 0 FGADHL Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000681559974 722211248 /nfs/dbraw/zinc/21/12/48/722211248.db2.gz WHBDWJZYSIUMOW-CQSZACIVSA-N -2 3 371.817 3.282 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCC2(F)CCC2)c1 ZINC000806567095 725133762 /nfs/dbraw/zinc/13/37/62/725133762.db2.gz DGZURIYDEGCPLC-UHFFFAOYSA-N -2 3 370.229 3.252 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000571141288 505662488 /nfs/dbraw/zinc/66/24/88/505662488.db2.gz PUMBSNCEKHARNK-VIFPVBQESA-N -2 3 354.255 3.224 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000580182862 505697984 /nfs/dbraw/zinc/69/79/84/505697984.db2.gz IYHWUQOARRLRRV-ABAIWWIYSA-N -2 3 353.415 3.003 20 0 FGADHL CSc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000041751750 494174966 /nfs/dbraw/zinc/17/49/66/494174966.db2.gz VAUVOOYLXGVWKH-UHFFFAOYSA-N -2 3 368.480 3.331 20 0 FGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)ccc2F)o1 ZINC000041774514 494176246 /nfs/dbraw/zinc/17/62/46/494176246.db2.gz YIZFFELIOPHCQR-UHFFFAOYSA-N -2 3 374.821 3.401 20 0 FGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000013313984 494284819 /nfs/dbraw/zinc/28/48/19/494284819.db2.gz AKAHAIVHWSLTFM-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)sc1C ZINC000568517843 505713864 /nfs/dbraw/zinc/71/38/64/505713864.db2.gz CWYPGBLKSYHVKK-UHFFFAOYSA-N -2 3 368.480 3.060 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000574281393 505737266 /nfs/dbraw/zinc/73/72/66/505737266.db2.gz BOSVHYIMIAUOEY-SNVBAGLBSA-N -2 3 365.373 3.400 20 0 FGADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)ccc12 ZINC000093909189 494934300 /nfs/dbraw/zinc/93/43/00/494934300.db2.gz USMWLJNROPWVGR-UHFFFAOYSA-N -2 3 365.798 3.024 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(C)c1C(=O)[O-] ZINC000156329163 496217124 /nfs/dbraw/zinc/21/71/24/496217124.db2.gz GOFLBPDRHZUJLG-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000181201973 496309297 /nfs/dbraw/zinc/30/92/97/496309297.db2.gz ZPVZQIDVLIJPIR-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([O-])cc3F)c2)n1 ZINC000181888490 496586975 /nfs/dbraw/zinc/58/69/75/496586975.db2.gz LNQWJZLAZHAOEI-UHFFFAOYSA-N -2 3 353.353 3.096 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000578075589 505856080 /nfs/dbraw/zinc/85/60/80/505856080.db2.gz YPUVXUHSJLTHSK-MGCOHNPYSA-N -2 3 366.266 3.163 20 0 FGADHL O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000193095137 497301178 /nfs/dbraw/zinc/30/11/78/497301178.db2.gz RIIDUJHYDNBCJC-UHFFFAOYSA-N -2 3 374.824 3.242 20 0 FGADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc3ccccc3c2[O-])ccc1F ZINC000193236118 497330369 /nfs/dbraw/zinc/33/03/69/497330369.db2.gz GSJRHDFGMQISTN-UHFFFAOYSA-N -2 3 374.393 3.308 20 0 FGADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000578969780 506064517 /nfs/dbraw/zinc/06/45/17/506064517.db2.gz ROLJYRWOCMSFNP-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000314758324 498778490 /nfs/dbraw/zinc/77/84/90/498778490.db2.gz AFOBWKIAADLEOC-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000320656577 498808604 /nfs/dbraw/zinc/80/86/04/498808604.db2.gz KUSQXKFJFAAQHS-UHFFFAOYSA-N -2 3 373.780 3.282 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000320623978 498809446 /nfs/dbraw/zinc/80/94/46/498809446.db2.gz DXJXBAKXXBBTFQ-CPCISQLKSA-N -2 3 373.780 3.136 20 0 FGADHL COc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000326971077 498850470 /nfs/dbraw/zinc/85/04/70/498850470.db2.gz MBPFCAKDSULOKF-UHFFFAOYSA-N -2 3 363.435 3.048 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000572997593 506095710 /nfs/dbraw/zinc/09/57/10/506095710.db2.gz CEXGWVWWNAKFIK-AWEZNQCLSA-N -2 3 355.799 3.061 20 0 FGADHL O=C(c1cc([O-])ccc1C(F)(F)F)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000376439131 499608854 /nfs/dbraw/zinc/60/88/54/499608854.db2.gz AUPATEUHONKWQG-UHFFFAOYSA-N -2 3 373.356 3.103 20 0 FGADHL COc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431877961 500437850 /nfs/dbraw/zinc/43/78/50/500437850.db2.gz NOUXKEJBDZRXSO-SFHVURJKSA-N -2 3 351.358 3.110 20 0 FGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)n[n-]1 ZINC000450971259 501235990 /nfs/dbraw/zinc/23/59/90/501235990.db2.gz OVVHFRMGBIEABC-UHFFFAOYSA-N -2 3 362.427 3.185 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000481956419 501928317 /nfs/dbraw/zinc/92/83/17/501928317.db2.gz KQCKKCJMUYZUSX-UHFFFAOYSA-N -2 3 367.398 3.041 20 0 FGADHL O=S(=O)(CCc1ccccc1Br)[N-]c1cc(F)ccc1[O-] ZINC000461329922 502073067 /nfs/dbraw/zinc/07/30/67/502073067.db2.gz CCMXDYMEMAZGLQ-UHFFFAOYSA-N -2 3 374.231 3.278 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000476478870 502501122 /nfs/dbraw/zinc/50/11/22/502501122.db2.gz CTDXBZBDIAFZPI-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000501860650 503095608 /nfs/dbraw/zinc/09/56/08/503095608.db2.gz ZQYJCMLCJJITCD-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL COc1nc([N-]C(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)n[n-]1 ZINC000490712273 503217652 /nfs/dbraw/zinc/21/76/52/503217652.db2.gz WCUMGILXYJPILZ-UHFFFAOYSA-N -2 3 368.422 3.083 20 0 FGADHL COc1nc2ccccc2cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000515975102 503426657 /nfs/dbraw/zinc/42/66/57/503426657.db2.gz OLZCGTAMYHPSGU-VQHVLOKHSA-N -2 3 365.389 3.235 20 0 FGADHL Cc1nc(C=Cc2nc(-c3ccccc3)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728535 503608895 /nfs/dbraw/zinc/60/88/95/503608895.db2.gz DNFDVANORWJQIY-BQYQJAHWSA-N -2 3 353.403 3.412 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(Cl)cc1F ZINC000517002769 503641604 /nfs/dbraw/zinc/64/16/04/503641604.db2.gz WJQZGYWXZULUSW-UHFFFAOYSA-N -2 3 357.790 3.215 20 0 FGADHL CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)c([O-])c(OC)c2)[n-]c1=O ZINC000527054094 503661416 /nfs/dbraw/zinc/66/14/16/503661416.db2.gz BLZBBNCMEXOSFE-WEVVVXLNSA-N -2 3 364.785 3.287 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000540498899 503793561 /nfs/dbraw/zinc/79/35/61/503793561.db2.gz RUYGBZICPUESER-UHFFFAOYSA-N -2 3 372.402 3.389 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nc(C(C)(C)C)cs1 ZINC000518370673 503965136 /nfs/dbraw/zinc/96/51/36/503965136.db2.gz XDGMKYGJCRCZFH-QMMMGPOBSA-N -2 3 374.509 3.240 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000547546938 504145150 /nfs/dbraw/zinc/14/51/50/504145150.db2.gz BMFORFNMBUWYNI-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1Cl ZINC000547563600 504148558 /nfs/dbraw/zinc/14/85/58/504148558.db2.gz UQOQKOMFMJPNHP-SECBINFHSA-N -2 3 354.255 3.224 20 0 FGADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547892210 504259508 /nfs/dbraw/zinc/25/95/08/504259508.db2.gz XFZVTSTZGQGWFE-YOEHRIQHSA-N -2 3 367.854 3.415 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C(=O)[O-])c1 ZINC000547905742 504261195 /nfs/dbraw/zinc/26/11/95/504261195.db2.gz DPRZLKZOQYATES-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547913937 504262522 /nfs/dbraw/zinc/26/25/22/504262522.db2.gz XRMVMUWGJRZHLF-ZJUUUORDSA-N -2 3 351.877 3.103 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000547964611 504275589 /nfs/dbraw/zinc/27/55/89/504275589.db2.gz FAZHMYDHHGRTDK-QMMMGPOBSA-N -2 3 354.255 3.161 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000542093408 504361764 /nfs/dbraw/zinc/36/17/64/504361764.db2.gz JZCSCIDDGZGCOD-UHFFFAOYSA-N -2 3 367.398 3.204 20 0 FGADHL COc1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c1 ZINC000548198580 504366549 /nfs/dbraw/zinc/36/65/49/504366549.db2.gz RWVNGLBLRUBNRE-UHFFFAOYSA-N -2 3 367.448 3.057 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)Cc2noc3ccccc32)c1 ZINC000548205374 504368322 /nfs/dbraw/zinc/36/83/22/504368322.db2.gz VTVLHQKCYBIAMA-UHFFFAOYSA-N -2 3 360.391 3.085 20 0 FGADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccc2n[n-]nc2c1 ZINC000535656831 504497153 /nfs/dbraw/zinc/49/71/53/504497153.db2.gz UMRWXRXMQQBFRE-UHFFFAOYSA-N -2 3 367.590 3.332 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c1 ZINC000542739874 504591478 /nfs/dbraw/zinc/59/14/78/504591478.db2.gz MUALOEDJSAFZKR-UHFFFAOYSA-N -2 3 360.435 3.094 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000562528313 504848090 /nfs/dbraw/zinc/84/80/90/504848090.db2.gz CHOCQGDDJQAZMY-NSHDSACASA-N -2 3 365.854 3.429 20 0 FGADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(F)cc1F ZINC000566172120 505104117 /nfs/dbraw/zinc/10/41/17/505104117.db2.gz ADKPBUXWNXBWBR-CQSZACIVSA-N -2 3 373.377 3.384 20 0 FGADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccsc2)c1 ZINC000551911048 505339691 /nfs/dbraw/zinc/33/96/91/505339691.db2.gz YQCLJPHXXOQYGV-UHFFFAOYSA-N -2 3 362.226 3.010 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C)cc1C(=O)[O-] ZINC000567803144 505564356 /nfs/dbraw/zinc/56/43/56/505564356.db2.gz PFNYDVFLSXYLEN-HNNXBMFYSA-N -2 3 351.424 3.352 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c(C)c1 ZINC000599926310 506716639 /nfs/dbraw/zinc/71/66/39/506716639.db2.gz KXTCNIZRHVQLJO-UHFFFAOYSA-N -2 3 374.418 3.292 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3nc(Cc4ccccc4)[n-]s3)[n-]n2)o1 ZINC000600180837 506826435 /nfs/dbraw/zinc/82/64/35/506826435.db2.gz LPNIBHRGBDFVRC-UHFFFAOYSA-N -2 3 365.418 3.095 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3nc(Cc4ccccc4)[n-]s3)n[n-]2)o1 ZINC000600180837 506826441 /nfs/dbraw/zinc/82/64/41/506826441.db2.gz LPNIBHRGBDFVRC-UHFFFAOYSA-N -2 3 365.418 3.095 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000583549477 506842649 /nfs/dbraw/zinc/84/26/49/506842649.db2.gz UCEIMSJUXLBLIG-NSHDSACASA-N -2 3 353.415 3.147 20 0 FGADHL O=C([O-])c1coc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000740270149 599802285 /nfs/dbraw/zinc/80/22/85/599802285.db2.gz ZSRHIEXLZGLXMK-UHFFFAOYSA-N -2 3 368.374 3.105 20 0 FGADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)c([O-])c2O1 ZINC000736737530 599811012 /nfs/dbraw/zinc/81/10/12/599811012.db2.gz RFYUCOSATZOVBU-UHFFFAOYSA-N -2 3 355.390 3.375 20 0 FGADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000326755100 600023292 /nfs/dbraw/zinc/02/32/92/600023292.db2.gz MYBKFTXLGHNJGU-UHFFFAOYSA-N -2 3 363.435 3.383 20 0 FGADHL O=C([O-])c1cc(F)ccc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000740079266 600085398 /nfs/dbraw/zinc/08/53/98/600085398.db2.gz NFKPOBPLONDMAE-UHFFFAOYSA-N -2 3 357.381 3.324 20 0 FGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3ccc(F)cc3s2)s1 ZINC000739777881 600631392 /nfs/dbraw/zinc/63/13/92/600631392.db2.gz SCDCCNXQJMQMBO-UHFFFAOYSA-N -2 3 351.384 3.161 20 0 FGADHL O=C([O-])[C@H](OC(=O)c1cccc(Br)c1[O-])c1ccccc1F ZINC000833350198 600666137 /nfs/dbraw/zinc/66/61/37/600666137.db2.gz BNIOCBSNSJGJIJ-CYBMUJFWSA-N -2 3 369.142 3.277 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc(C)c1F ZINC000738252111 601047391 /nfs/dbraw/zinc/04/73/91/601047391.db2.gz VNZPXTICCNAXOG-UHFFFAOYSA-N -2 3 352.387 3.358 20 0 FGADHL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000830519439 601475389 /nfs/dbraw/zinc/47/53/89/601475389.db2.gz RJCYWXPDCBWLRO-UHFFFAOYSA-N -2 3 360.435 3.480 20 0 FGADHL O=C([O-])N[C@H](C(=O)Nc1ccc(Br)cc1[O-])c1ccccc1 ZINC000740691936 602393716 /nfs/dbraw/zinc/39/37/16/602393716.db2.gz CKNWXNVUEMYIIN-ZDUSSCGKSA-N -2 3 365.183 3.102 20 0 FGADHL O=C([O-])Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c([O-])c1 ZINC000740699968 602841790 /nfs/dbraw/zinc/84/17/90/602841790.db2.gz YYXWHUMLEMLJIC-HNNXBMFYSA-N -2 3 373.409 3.032 20 0 FGADHL O=C([O-])Nc1ccccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000833288663 604372275 /nfs/dbraw/zinc/37/22/75/604372275.db2.gz WYZLTWSXWRIUMR-UHFFFAOYSA-N -2 3 365.183 3.175 20 0 FGADHL O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)o2)cc1 ZINC000833360743 604676186 /nfs/dbraw/zinc/67/61/86/604676186.db2.gz JXXSZNKGSQRSQR-GZTJUZNOSA-N -2 3 359.337 3.455 20 0 FGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000774603551 723909890 /nfs/dbraw/zinc/90/98/90/723909890.db2.gz HJMPNVMTCVYZLF-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC2CCCC2)C(=O)[O-])sc1Cl ZINC000788696587 725081757 /nfs/dbraw/zinc/08/17/57/725081757.db2.gz FWGWKCUCJMMAFW-NSHDSACASA-N -2 3 365.904 3.269 20 0 FGADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000110278975 206073340 /nfs/dbraw/zinc/07/33/40/206073340.db2.gz ZOPUJMQILQERNM-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000579544223 505572821 /nfs/dbraw/zinc/57/28/21/505572821.db2.gz UAEXNMVIWZALPY-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL O=C(Nc1ccc(Br)cc1[O-])c1c[n-]c2ccccc2c1=O ZINC000058789229 493885024 /nfs/dbraw/zinc/88/50/24/493885024.db2.gz OHVVURRCWZEKJO-UHFFFAOYSA-N -2 3 359.179 3.249 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000060800522 493955165 /nfs/dbraw/zinc/95/51/65/493955165.db2.gz NVKIZDOLTITSAM-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([O-])c1C ZINC000051286376 493960101 /nfs/dbraw/zinc/96/01/01/493960101.db2.gz LAOHHSQEFHBGNN-UHFFFAOYSA-N -2 3 353.418 3.450 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000052025563 494000464 /nfs/dbraw/zinc/00/04/64/494000464.db2.gz HOIGYVPMEVNRII-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)c1 ZINC000091579755 494618648 /nfs/dbraw/zinc/61/86/48/494618648.db2.gz QBOXTRIHSZMFMN-UHFFFAOYSA-N -2 3 353.755 3.179 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000024432859 494629751 /nfs/dbraw/zinc/62/97/51/494629751.db2.gz HKTSKPCJRFWYQR-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=C(CCCCC(=O)[N-]OCc1ccccc1)[N-]OCc1ccccc1 ZINC000149391370 495594128 /nfs/dbraw/zinc/59/41/28/495594128.db2.gz GRIDCAQNIGZLML-UHFFFAOYSA-N -2 3 356.422 3.043 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000571739181 505802611 /nfs/dbraw/zinc/80/26/11/505802611.db2.gz XWCLXFQADGAANE-NSHDSACASA-N -2 3 354.255 3.161 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000581175651 505926614 /nfs/dbraw/zinc/92/66/14/505926614.db2.gz GSLRZISPHDKXCJ-SECBINFHSA-N -2 3 373.780 3.281 20 0 FGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000581726447 506054571 /nfs/dbraw/zinc/05/45/71/506054571.db2.gz NFSOWXKEWZSVFG-IBGZPJMESA-N -2 3 361.463 3.150 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1cccc(Cl)c1F)CCC(=O)[O-] ZINC000316490525 498787951 /nfs/dbraw/zinc/78/79/51/498787951.db2.gz JXXMNYIMJFAKSE-UHFFFAOYSA-N -2 3 351.827 3.039 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000318151344 498795997 /nfs/dbraw/zinc/79/59/97/498795997.db2.gz WNEMLTPETYQHSB-BXUZGUMPSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000321198992 498811984 /nfs/dbraw/zinc/81/19/84/498811984.db2.gz GPRRCPRDQOZXNE-NSHDSACASA-N -2 3 374.245 3.140 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000326578624 498845249 /nfs/dbraw/zinc/84/52/49/498845249.db2.gz ANZWFABZVSTPDU-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL COc1cc2c(cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1)O[C@H](C)C2 ZINC000570152775 506103196 /nfs/dbraw/zinc/10/31/96/506103196.db2.gz XRGVMDSDGLBAOH-DUMNWFOQSA-N -2 3 370.405 3.010 20 0 FGADHL COc1cc2c(cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1)O[C@@H](C)C2 ZINC000570152776 506103267 /nfs/dbraw/zinc/10/32/67/506103267.db2.gz XRGVMDSDGLBAOH-MALLOTDXSA-N -2 3 370.405 3.010 20 0 FGADHL CC[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000576359307 506138961 /nfs/dbraw/zinc/13/89/61/506138961.db2.gz YXMXYGUWBOIHSJ-LLVKDONJSA-N -2 3 355.843 3.272 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(=O)[O-] ZINC000392550324 499558799 /nfs/dbraw/zinc/55/87/99/499558799.db2.gz IOBMNDYNKDOSHR-UHFFFAOYSA-N -2 3 359.325 3.165 20 0 FGADHL Cc1ccc(-c2nnc(NC(=O)c3cc(Br)ccc3[O-])[n-]2)o1 ZINC000436994945 500588638 /nfs/dbraw/zinc/58/86/38/500588638.db2.gz AZWZDDFNIYSDQO-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1ccc(-c2n[n-]c(NC(=O)c3cc(Br)ccc3[O-])n2)o1 ZINC000436994945 500588641 /nfs/dbraw/zinc/58/86/41/500588641.db2.gz AZWZDDFNIYSDQO-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1ccc(-c2nc(NC(=O)c3cc(Br)ccc3[O-])n[n-]2)o1 ZINC000436994945 500588642 /nfs/dbraw/zinc/58/86/42/500588642.db2.gz AZWZDDFNIYSDQO-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450279 500988071 /nfs/dbraw/zinc/98/80/71/500988071.db2.gz XQZFPQUXRPPDCM-UHFFFAOYSA-N -2 3 365.798 3.134 20 0 FGADHL COc1cc(/C=C/c2cc(C(=O)[O-])ccn2)cc(Br)c1[O-] ZINC000436819149 501216228 /nfs/dbraw/zinc/21/62/28/501216228.db2.gz XFWXMPSZBIYFIX-NSCUHMNNSA-N -2 3 350.168 3.427 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471121760 501927485 /nfs/dbraw/zinc/92/74/85/501927485.db2.gz JSTAQGLBHCCZAM-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1F ZINC000479565832 502299227 /nfs/dbraw/zinc/29/92/27/502299227.db2.gz JPZCVNDFLCLBSD-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000475826505 502302176 /nfs/dbraw/zinc/30/21/76/502302176.db2.gz CVPVOJURYIBEIP-UHFFFAOYSA-N -2 3 373.839 3.493 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000462385856 502415929 /nfs/dbraw/zinc/41/59/29/502415929.db2.gz YUCXKZJJRYNJQK-CQSZACIVSA-N -2 3 355.843 3.415 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000477400475 502765212 /nfs/dbraw/zinc/76/52/12/502765212.db2.gz OXGZUMNEFDSEFJ-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000514778955 503190554 /nfs/dbraw/zinc/19/05/54/503190554.db2.gz UEVPGCTYYDQKKZ-MRVPVSSYSA-N -2 3 353.774 3.215 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC)c2)cc1C(=O)[O-] ZINC000507581499 503327062 /nfs/dbraw/zinc/32/70/62/503327062.db2.gz HDAGGLAHVVWDBG-UHFFFAOYSA-N -2 3 367.398 3.286 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000504695737 503606029 /nfs/dbraw/zinc/60/60/29/503606029.db2.gz ROWMMTLWHPQLQF-UHFFFAOYSA-N -2 3 357.790 3.162 20 0 FGADHL Cc1nc(C=Cc2csc(-c3ccccc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729094 503609467 /nfs/dbraw/zinc/60/94/67/503609467.db2.gz HTCGKCKZDNCFDJ-FPLPWBNLSA-N -2 3 353.403 3.412 20 0 FGADHL Cc1nc(C=Cc2ccc(F)c(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504733472 503609860 /nfs/dbraw/zinc/60/98/60/503609860.db2.gz VJMFCQPHYLQIBX-HWKANZROSA-N -2 3 356.275 3.446 20 0 FGADHL CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000504733039 503609984 /nfs/dbraw/zinc/60/99/84/503609984.db2.gz SOPGRBNZRDLANQ-CLFYSBASSA-N -2 3 358.394 3.086 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000543163228 503653455 /nfs/dbraw/zinc/65/34/55/503653455.db2.gz BRINIKQABRLHEA-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000546959953 503939221 /nfs/dbraw/zinc/93/92/21/503939221.db2.gz KDEKHEIAXHIBBE-ZFWWWQNUSA-N -2 3 365.476 3.136 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1CC(=O)[O-] ZINC000538138117 504143331 /nfs/dbraw/zinc/14/33/31/504143331.db2.gz MOHTZPAWEGDBSU-UHFFFAOYSA-N -2 3 371.361 3.061 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000538297939 504194741 /nfs/dbraw/zinc/19/47/41/504194741.db2.gz GJIWKQFAGAWDNR-UHFFFAOYSA-N -2 3 351.424 3.297 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)c1 ZINC000538297805 504195330 /nfs/dbraw/zinc/19/53/30/504195330.db2.gz CUCDLXHXBVDAGX-UHFFFAOYSA-N -2 3 367.471 3.178 20 0 FGADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000547896203 504259266 /nfs/dbraw/zinc/25/92/66/504259266.db2.gz FREOEUXBQZYSRD-SWLSCSKDSA-N -2 3 373.883 3.476 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CC(=O)[O-] ZINC000547940009 504265675 /nfs/dbraw/zinc/26/56/75/504265675.db2.gz BQEBJQCPHLPKAK-SECBINFHSA-N -2 3 354.255 3.081 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000548262550 504377858 /nfs/dbraw/zinc/37/78/58/504377858.db2.gz JAOXDKVXNPJRCX-VIFPVBQESA-N -2 3 361.872 3.334 20 0 FGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000548590397 504487028 /nfs/dbraw/zinc/48/70/28/504487028.db2.gz MPQVJXLGLREBRR-BXKDBHETSA-N -2 3 351.827 3.037 20 0 FGADHL CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548830700 504583455 /nfs/dbraw/zinc/58/34/55/504583455.db2.gz WWXYGZWLBYWHLM-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(C)c1 ZINC000536196839 504663879 /nfs/dbraw/zinc/66/38/79/504663879.db2.gz FZZAQCXLSGDZMJ-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000521231373 504689209 /nfs/dbraw/zinc/68/92/09/504689209.db2.gz HJFJAURTBZEAKP-NSHDSACASA-N -2 3 367.423 3.113 20 0 FGADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-])C1CC1 ZINC000521274635 504698745 /nfs/dbraw/zinc/69/87/45/504698745.db2.gz RPWGFQVHHUSHSJ-CLAHSXSESA-N -2 3 373.883 3.332 20 0 FGADHL O=C([N-]c1nnc(-c2ccco2)s1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000559498189 504875558 /nfs/dbraw/zinc/87/55/58/504875558.db2.gz SGOCMPGJBKSURW-UHFFFAOYSA-N -2 3 371.353 3.081 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3ccccc3c2)c1F ZINC000560076442 504985793 /nfs/dbraw/zinc/98/57/93/504985793.db2.gz OQFBADWFVVENCY-SFHVURJKSA-N -2 3 373.405 3.392 20 0 FGADHL CC1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cc2O1 ZINC000555530456 505447947 /nfs/dbraw/zinc/44/79/47/505447947.db2.gz ZPLOLVLOMGRTDQ-UHFFFAOYSA-N -2 3 355.799 3.354 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000738654517 600489214 /nfs/dbraw/zinc/48/92/14/600489214.db2.gz BSKAXDVYMBLZQN-UHFFFAOYSA-N -2 3 363.435 3.348 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(C)C)cc1C(=O)[O-] ZINC000833027535 601215218 /nfs/dbraw/zinc/21/52/18/601215218.db2.gz GTODWKGVVPOECC-HNNXBMFYSA-N -2 3 355.387 3.101 20 0 FGADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000740455693 602589645 /nfs/dbraw/zinc/58/96/45/602589645.db2.gz CPHRPQVFHAQCJS-UHFFFAOYSA-N -2 3 363.801 3.414 20 0 FGADHL C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826035618 604223929 /nfs/dbraw/zinc/22/39/29/604223929.db2.gz ZYWXLVISQPUGJK-DYVFJYSZSA-N -2 3 370.405 3.303 20 0 FGADHL O=C([O-])c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833145569 604319591 /nfs/dbraw/zinc/31/95/91/604319591.db2.gz OWSXBHJYYPWMNR-UHFFFAOYSA-N -2 3 365.183 3.175 20 0 FGADHL Cc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)[O-])cc3Cl)n[n-]2)o1 ZINC000830159902 604585105 /nfs/dbraw/zinc/58/51/05/604585105.db2.gz KDJDCJQGSVKJFW-UHFFFAOYSA-N -2 3 361.745 3.369 20 0 FGADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cnccc3C(=O)[O-])nc(=O)c2c1C ZINC000833036580 604879363 /nfs/dbraw/zinc/87/93/63/604879363.db2.gz JHHRWZQCUWIVMN-QMMMGPOBSA-N -2 3 373.390 3.025 20 0 FGADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000834250809 605968755 /nfs/dbraw/zinc/96/87/55/605968755.db2.gz HPNDMEWUOXCJAF-HNNXBMFYSA-N -2 3 373.796 3.344 20 0 FGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(Br)ccc1F ZINC000163586848 705316978 /nfs/dbraw/zinc/31/69/78/705316978.db2.gz FWVLOZGODVSWSN-UHFFFAOYSA-N -2 3 361.174 3.288 20 0 FGADHL CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641687990 717921202 /nfs/dbraw/zinc/92/12/02/717921202.db2.gz UUXKZWNZSTUPTB-ZDUSSCGKSA-N -2 3 373.833 3.184 20 0 FGADHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CO1 ZINC000629294875 716255655 /nfs/dbraw/zinc/25/56/55/716255655.db2.gz FBWWGEMVVUDVPT-MRVPVSSYSA-N -2 3 368.238 3.001 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)sc1Cl ZINC000682697874 722261833 /nfs/dbraw/zinc/26/18/33/722261833.db2.gz HXYMFPYSDLROIJ-MRVPVSSYSA-N -2 3 365.885 3.266 20 0 FGADHL Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000761309469 723143251 /nfs/dbraw/zinc/14/32/51/723143251.db2.gz QDPUNWBCPKQBIX-LLVKDONJSA-N -2 3 369.389 3.053 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1F ZINC000793408106 723434832 /nfs/dbraw/zinc/43/48/32/723434832.db2.gz JKHRLVZQBYRNAB-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL COc1ccccc1CO[N-]C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000799182526 723995860 /nfs/dbraw/zinc/99/58/60/723995860.db2.gz IOJRYIYLPWSQIP-UHFFFAOYSA-N -2 3 356.407 3.467 20 0 FGADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000776618467 724164824 /nfs/dbraw/zinc/16/48/24/724164824.db2.gz YEJUQICWZUPZTQ-GZMMTYOYSA-N -2 3 371.352 3.012 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)c1cccs1 ZINC000899918279 743027897 /nfs/dbraw/zinc/02/78/97/743027897.db2.gz LSOZDHWGIVUALI-QMMMGPOBSA-N -2 3 367.420 3.242 20 0 FGADHL O=C([O-])CS[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(F)(F)F ZINC000910356143 744441893 /nfs/dbraw/zinc/44/18/93/744441893.db2.gz XQVNXXVVCJSSQW-ZDUSSCGKSA-N -2 3 373.352 3.024 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)sc1C(=O)[O-] ZINC000540292839 503731044 /nfs/dbraw/zinc/73/10/44/503731044.db2.gz QAOMUHZKSZZDHQ-UHFFFAOYSA-N -2 3 367.782 3.487 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000570798875 505583283 /nfs/dbraw/zinc/58/32/83/505583283.db2.gz GANGRSUDBKVJHS-PWSUYJOCSA-N -2 3 373.883 3.012 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000570798873 505583740 /nfs/dbraw/zinc/58/37/40/505583740.db2.gz GANGRSUDBKVJHS-CMPLNLGQSA-N -2 3 373.883 3.012 20 0 FGADHL O=S(=O)(CCc1ccccc1)[N-]c1cc(Br)ccc1[O-] ZINC000085234686 494111995 /nfs/dbraw/zinc/11/19/95/494111995.db2.gz CSTVHXDLGKMYGD-UHFFFAOYSA-N -2 3 356.241 3.139 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(F)c1 ZINC000568541816 505718976 /nfs/dbraw/zinc/71/89/76/505718976.db2.gz YQONGNNRIXNHLB-GOSISDBHSA-N -2 3 373.405 3.392 20 0 FGADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc([O-])c1 ZINC000182257482 496721668 /nfs/dbraw/zinc/72/16/68/496721668.db2.gz JLROVILZPVQROO-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)c1 ZINC000574836512 505864694 /nfs/dbraw/zinc/86/46/94/505864694.db2.gz WHIZFCHBRBAMMN-UHFFFAOYSA-N -2 3 361.444 3.121 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000572479926 505979449 /nfs/dbraw/zinc/97/94/49/505979449.db2.gz ROLWNJVDASQSFU-UHFFFAOYSA-N -2 3 357.815 3.070 20 0 FGADHL CC(C)c1ccc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c([O-])c1 ZINC000291028933 498763825 /nfs/dbraw/zinc/76/38/25/498763825.db2.gz FCGNGPDFLUIPEZ-LBPRGKRZSA-N -2 3 372.387 3.046 20 0 FGADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000320321548 498806658 /nfs/dbraw/zinc/80/66/58/498806658.db2.gz NFIWRJBFXHQCMJ-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000322960407 498819394 /nfs/dbraw/zinc/81/93/94/498819394.db2.gz NVKXUBDPNJUAME-UHFFFAOYSA-N -2 3 353.827 3.466 20 0 FGADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000579304405 506140908 /nfs/dbraw/zinc/14/09/08/506140908.db2.gz YKPFMPQMRAICPK-TVQRCGJNSA-N -2 3 357.403 3.048 20 0 FGADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000579304406 506141197 /nfs/dbraw/zinc/14/11/97/506141197.db2.gz YKPFMPQMRAICPK-ZANVPECISA-N -2 3 357.403 3.048 20 0 FGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000391300622 499556961 /nfs/dbraw/zinc/55/69/61/499556961.db2.gz UTPVCNFNLYROBJ-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000570513720 506184380 /nfs/dbraw/zinc/18/43/80/506184380.db2.gz XGEVKEGAXLUCJA-UHFFFAOYSA-N -3 3 373.427 3.389 20 0 FGADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000570513720 506184385 /nfs/dbraw/zinc/18/43/85/506184385.db2.gz XGEVKEGAXLUCJA-UHFFFAOYSA-N -2 3 373.427 3.389 20 0 FGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000437001567 500591292 /nfs/dbraw/zinc/59/12/92/500591292.db2.gz WAKCWPMJWUDXFU-UHFFFAOYSA-N -3 3 362.190 3.198 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1Br ZINC000448076728 500714938 /nfs/dbraw/zinc/71/49/38/500714938.db2.gz ITYZVWGRDLQHCG-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL CCN(c1cccc(C)c1C)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436724114 501197288 /nfs/dbraw/zinc/19/72/88/501197288.db2.gz PETXVJLTDFSOTO-UHFFFAOYSA-N -2 3 363.435 3.231 20 0 FGADHL O=C(N=c1[n-]nc(Cc2ccc(F)cc2)s1)c1cc2ccsc2[n-]1 ZINC000592792411 506244677 /nfs/dbraw/zinc/24/46/77/506244677.db2.gz HTMYQULHIAGPIU-UHFFFAOYSA-N -2 3 358.423 3.485 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc(C(=O)[O-])c1C ZINC000471123684 501928068 /nfs/dbraw/zinc/92/80/68/501928068.db2.gz GWJFOKPIHMORSR-UHFFFAOYSA-N -2 3 361.419 3.127 20 0 FGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc4c(ccn4CC(=O)[O-])c3)n[n-]2)o1 ZINC000485918748 501987164 /nfs/dbraw/zinc/98/71/64/501987164.db2.gz HCAGAWRQOAYUHA-UHFFFAOYSA-N -2 3 364.361 3.270 20 0 FGADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)sc1Br ZINC000504733762 503609945 /nfs/dbraw/zinc/60/99/45/503609945.db2.gz VSLOTCAAWXFKMB-ARJAWSKDSA-N -2 3 369.240 3.421 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000512770707 503628569 /nfs/dbraw/zinc/62/85/69/503628569.db2.gz FYGXWJHFLHRKFL-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL COc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)c1 ZINC000540704548 503862113 /nfs/dbraw/zinc/86/21/13/503862113.db2.gz KLKZVIBHZCSPHN-OAHLLOKOSA-N -2 3 361.419 3.069 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)sc1Cl ZINC000530541187 504003437 /nfs/dbraw/zinc/00/34/37/504003437.db2.gz KLSBNMSXVUQSIK-VIFPVBQESA-N -2 3 353.893 3.125 20 0 FGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)(CC(=O)[O-])C1 ZINC000547571160 504149468 /nfs/dbraw/zinc/14/94/68/504149468.db2.gz RFOPZRBFKVHAAR-BONVTDFDSA-N -2 3 363.838 3.039 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000547594038 504152660 /nfs/dbraw/zinc/15/26/60/504152660.db2.gz AIOLKWVPIBJPBX-AWEZNQCLSA-N -2 3 371.817 3.282 20 0 FGADHL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000547611807 504155086 /nfs/dbraw/zinc/15/50/86/504155086.db2.gz UZSMACHGZKYLMU-CQSZACIVSA-N -2 3 371.817 3.200 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccsc1 ZINC000547608491 504155147 /nfs/dbraw/zinc/15/51/47/504155147.db2.gz DRHBBNNHFFFALC-QMMMGPOBSA-N -2 3 372.276 3.221 20 0 FGADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000547610116 504155539 /nfs/dbraw/zinc/15/55/39/504155539.db2.gz ANOCVSFMRPSTJQ-ZDUSSCGKSA-N -2 3 350.440 3.090 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000547609296 504155910 /nfs/dbraw/zinc/15/59/10/504155910.db2.gz RTVGKOJRNADQGE-QWRGUYRKSA-N -2 3 371.430 3.438 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547901368 504260646 /nfs/dbraw/zinc/26/06/46/504260646.db2.gz WXWXMSOYDHWEQD-AWEZNQCLSA-N -2 3 361.872 3.334 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000519799567 504343041 /nfs/dbraw/zinc/34/30/41/504343041.db2.gz DGFHRUYAYUHDQV-OCCSQVGLSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000519799568 504343601 /nfs/dbraw/zinc/34/36/01/504343601.db2.gz DGFHRUYAYUHDQV-TZMCWYRMSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])c1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)Cc1ccon1 ZINC000548563297 504483650 /nfs/dbraw/zinc/48/36/50/504483650.db2.gz DOKHITIQNACXIW-UHFFFAOYSA-N -2 3 374.374 3.107 20 0 FGADHL CCCc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)c(C(=O)[O-])c1 ZINC000548572494 504484324 /nfs/dbraw/zinc/48/43/24/504484324.db2.gz XWFMSTLBCVICFS-UHFFFAOYSA-N -2 3 374.418 3.420 20 0 FGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000532468019 504661002 /nfs/dbraw/zinc/66/10/02/504661002.db2.gz PUSHPYUTHYEAFG-UHFFFAOYSA-N -2 3 366.464 3.014 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000556773194 504970511 /nfs/dbraw/zinc/97/05/11/504970511.db2.gz MFFQIFCYMXSKKE-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)CCOCC1CCCC1 ZINC000557083014 505061109 /nfs/dbraw/zinc/06/11/09/505061109.db2.gz HARWTDVZPWIEGD-UHFFFAOYSA-N -2 3 369.483 3.042 20 0 FGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C ZINC000558054818 505297588 /nfs/dbraw/zinc/29/75/88/505297588.db2.gz MNAUBWHMEOVDJT-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000567252007 505408704 /nfs/dbraw/zinc/40/87/04/505408704.db2.gz UNQBDARTTOVLSV-RTHLEPHNSA-N -2 3 371.842 3.172 20 0 FGADHL O=C(N=c1[n-]nc(C2CCOCC2)s1)c1cc2cc(Cl)sc2[n-]1 ZINC000567267464 505413566 /nfs/dbraw/zinc/41/35/66/505413566.db2.gz XKNSHKYZFLCHCB-UHFFFAOYSA-N -2 3 368.871 3.303 20 0 FGADHL O=S(=O)(CCc1ccccc1Br)[N-]c1cccc([O-])c1F ZINC000564629719 505475223 /nfs/dbraw/zinc/47/52/23/505475223.db2.gz FTBSGYWNGZIPBK-UHFFFAOYSA-N -2 3 374.231 3.278 20 0 FGADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000564851606 505539553 /nfs/dbraw/zinc/53/95/53/505539553.db2.gz QDLHAVYCCJZTAR-DGCLKSJQSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000567797073 505563853 /nfs/dbraw/zinc/56/38/53/505563853.db2.gz MBWWYJHXXBLCOL-OCCSQVGLSA-N -2 3 367.398 3.040 20 0 FGADHL CCOC(=O)[C@H](C)Cc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000594659098 507224418 /nfs/dbraw/zinc/22/44/18/507224418.db2.gz BFDFGLHYKQSHKE-GFCCVEGCSA-N -2 3 352.390 3.037 20 0 FGADHL COc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000584837874 507533987 /nfs/dbraw/zinc/53/39/87/507533987.db2.gz LJJPPKJPBFTQQL-CQSZACIVSA-N -2 3 367.423 3.052 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c(C)c1C ZINC000738069897 600299541 /nfs/dbraw/zinc/29/95/41/600299541.db2.gz NSIVCIUQIZBWFD-UHFFFAOYSA-N -2 3 350.396 3.203 20 0 FGADHL CC(C)(CCCc1ccccc1)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736319937 600313068 /nfs/dbraw/zinc/31/30/68/600313068.db2.gz CFZVKFQZHOASQD-UHFFFAOYSA-N -2 3 365.451 3.305 20 0 FGADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(CNC(=O)[O-])cc3)c([O-])c2O1 ZINC000736736858 600331942 /nfs/dbraw/zinc/33/19/42/600331942.db2.gz GEDIVEMHZXMTIQ-UHFFFAOYSA-N -2 3 356.378 3.126 20 0 FGADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000740025284 600447509 /nfs/dbraw/zinc/44/75/09/600447509.db2.gz PVMFQGHICIJFTF-UHFFFAOYSA-N -2 3 372.805 3.090 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1C(=O)[O-] ZINC000738746116 600565661 /nfs/dbraw/zinc/56/56/61/600565661.db2.gz UUZZIJAAXTVRPT-UHFFFAOYSA-N -2 3 361.419 3.283 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094702963 600944777 /nfs/dbraw/zinc/94/47/77/600944777.db2.gz ITIZMJMUOZUXTB-SECBINFHSA-N -2 3 354.255 3.019 20 0 FGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000832786133 601335385 /nfs/dbraw/zinc/33/53/85/601335385.db2.gz XTYCGAOCBHBDDY-UHFFFAOYSA-N -2 3 373.839 3.267 20 0 FGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000751895250 601365424 /nfs/dbraw/zinc/36/54/24/601365424.db2.gz IDRRFYDKAUGSIF-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000833344722 601383346 /nfs/dbraw/zinc/38/33/46/601383346.db2.gz HGKUPEZMXPTUSE-UHFFFAOYSA-N -2 3 365.169 3.027 20 0 FGADHL COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000831977286 602149172 /nfs/dbraw/zinc/14/91/72/602149172.db2.gz SDPJSDNJKGAZIA-CLTKARDFSA-N -2 3 368.345 3.231 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c(C)c1C ZINC000738063954 602981743 /nfs/dbraw/zinc/98/17/43/602981743.db2.gz NPYNBPAQSDLUMT-UHFFFAOYSA-N -2 3 350.396 3.203 20 0 FGADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)c1 ZINC000829474938 603631371 /nfs/dbraw/zinc/63/13/71/603631371.db2.gz VYQIGVDTEDXQET-CMDGGOBGSA-N -2 3 366.370 3.337 20 0 FGADHL Cc1ccc(-c2cc(C(=O)[N-]c3nc(CCC(=O)[O-])cs3)on2)cc1 ZINC000832906086 604724094 /nfs/dbraw/zinc/72/40/94/604724094.db2.gz PVBFIBWGJUHHDO-UHFFFAOYSA-N -2 3 357.391 3.376 20 0 FGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000833459551 605176498 /nfs/dbraw/zinc/17/64/98/605176498.db2.gz GCOHCDZUMGDNFW-UHFFFAOYSA-N -2 3 361.410 3.158 20 0 FGADHL CN(C(=O)c1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833686960 605178340 /nfs/dbraw/zinc/17/83/40/605178340.db2.gz WOBSVBSLNHLCNZ-CQSZACIVSA-N -2 3 364.195 3.053 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC000833733998 605240734 /nfs/dbraw/zinc/24/07/34/605240734.db2.gz YKRGEYMOLGICCI-UHFFFAOYSA-N -3 3 365.407 3.023 20 0 FGADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)CCCCCl)c1 ZINC000190818413 712823576 /nfs/dbraw/zinc/82/35/76/712823576.db2.gz PNNKLQXVJLDQEJ-UHFFFAOYSA-N -2 3 356.669 3.224 20 0 FGADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641687304 717921134 /nfs/dbraw/zinc/92/11/34/717921134.db2.gz NALBJPWEOUWIHG-CYBMUJFWSA-N -2 3 355.843 3.045 20 0 FGADHL Cc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000262858067 713730410 /nfs/dbraw/zinc/73/04/10/713730410.db2.gz YMIXZHMAHKVRTA-JKSUJKDBSA-N -2 3 359.809 3.294 20 0 FGADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000523871298 714256727 /nfs/dbraw/zinc/25/67/27/714256727.db2.gz FYYRQYYCEHOTAN-UHFFFAOYSA-N -2 3 363.435 3.348 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c(C)c1 ZINC000523871282 714256780 /nfs/dbraw/zinc/25/67/80/714256780.db2.gz FMHLZIFGAMMVPO-UHFFFAOYSA-N -2 3 363.435 3.184 20 0 FGADHL Cc1cc(Br)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000794711925 723542429 /nfs/dbraw/zinc/54/24/29/723542429.db2.gz GPGWUWJSYCGBPJ-ARJAWSKDSA-N -2 3 363.211 3.359 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1C ZINC000766584174 723582372 /nfs/dbraw/zinc/58/23/72/723582372.db2.gz IQJHAEMXTLNENC-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)ccc1F ZINC000799129692 723989919 /nfs/dbraw/zinc/98/99/19/723989919.db2.gz TVNNCFSSYPTAMH-UHFFFAOYSA-N -2 3 353.346 3.341 20 0 FGADHL COCCOCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000629329261 450599781 /nfs/dbraw/zinc/59/97/81/450599781.db2.gz AYURJIJGUARDPL-UHFFFAOYSA-N -2 3 371.842 3.009 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000032586456 493997539 /nfs/dbraw/zinc/99/75/39/493997539.db2.gz AAFPVROEHWUVBV-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])c1ccccc1CC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000571299924 505701759 /nfs/dbraw/zinc/70/17/59/505701759.db2.gz OOCODRYAGVJVQM-UHFFFAOYSA-N -2 3 367.449 3.213 20 0 FGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000078365021 494288292 /nfs/dbraw/zinc/28/82/92/494288292.db2.gz ARAJVSZRCOSXOZ-UHFFFAOYSA-N -2 3 360.218 3.421 20 0 FGADHL O=C(Nc1ccccc1[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000022024265 494513503 /nfs/dbraw/zinc/51/35/03/494513503.db2.gz DEFFDGSFEKIUGI-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Br)c1 ZINC000127876733 495011526 /nfs/dbraw/zinc/01/15/26/495011526.db2.gz WXXKFTRRBOUTEM-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000163891610 496568235 /nfs/dbraw/zinc/56/82/35/496568235.db2.gz IJPRKYAHIJCFGK-UHFFFAOYSA-N -2 3 362.451 3.276 20 0 FGADHL O=C(N=c1nc(SCc2ccccc2)[n-]s1)[N-]O[C@@H]1CCCCO1 ZINC000274859627 497184623 /nfs/dbraw/zinc/18/46/23/497184623.db2.gz TYSRXKVHJAFGPP-GFCCVEGCSA-N -2 3 366.468 3.410 20 0 FGADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000263341532 497761903 /nfs/dbraw/zinc/76/19/03/497761903.db2.gz NNYZGJWLWFEPDQ-GOEBONIOSA-N -2 3 369.417 3.154 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC000572637200 506017400 /nfs/dbraw/zinc/01/74/00/506017400.db2.gz UVLLWCANFHGRAA-VIFPVBQESA-N -2 3 359.391 3.092 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317331754 498792175 /nfs/dbraw/zinc/79/21/75/498792175.db2.gz DABXKCYRMKXMDZ-PWSUYJOCSA-N -2 3 366.266 3.305 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000324976894 498833337 /nfs/dbraw/zinc/83/33/37/498833337.db2.gz PVHHNVOXWJQPLL-UHFFFAOYSA-N -2 3 359.325 3.165 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325758815 498839025 /nfs/dbraw/zinc/83/90/25/498839025.db2.gz ZDTFQUPHIIKSAI-QWRGUYRKSA-N -2 3 367.389 3.263 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1C(=O)[O-] ZINC000392698724 499559045 /nfs/dbraw/zinc/55/90/45/499559045.db2.gz OACDNESVUNPMLR-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000399463958 499568318 /nfs/dbraw/zinc/56/83/18/499568318.db2.gz QYJSTWVEEFLBKH-PELKAZGASA-N -2 3 354.255 3.017 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000401541154 499569172 /nfs/dbraw/zinc/56/91/72/499569172.db2.gz BCEZMHMYUXXMPJ-SECBINFHSA-N -2 3 354.255 3.161 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1)CC(F)(F)F ZINC000402595970 499569779 /nfs/dbraw/zinc/56/97/79/499569779.db2.gz LYAOZQXGWRQNSX-MRVPVSSYSA-N -2 3 359.391 3.012 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CC(F)(F)F ZINC000402684370 499569855 /nfs/dbraw/zinc/56/98/55/499569855.db2.gz XAULJWIXYMCSQL-QMMMGPOBSA-N -2 3 373.780 3.295 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)ccc([O-])c3F)c2)n1 ZINC000377550565 499703544 /nfs/dbraw/zinc/70/35/44/499703544.db2.gz PMWSMLRRXKPFFN-UHFFFAOYSA-N -2 3 357.316 3.394 20 0 FGADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc1)C(=O)[O-] ZINC000421143887 499970480 /nfs/dbraw/zinc/97/04/80/499970480.db2.gz AZAFVRPQMSSDQT-DOTOQJQBSA-N -2 3 371.499 3.143 20 0 FGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000421161380 499977920 /nfs/dbraw/zinc/97/79/20/499977920.db2.gz XBABJUJTAMYPMI-NSHDSACASA-N -2 3 355.378 3.214 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(C)c1C(=O)[O-] ZINC000431146556 500341625 /nfs/dbraw/zinc/34/16/25/500341625.db2.gz PYKYRLSFAKFUHM-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL C[C@@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000424271294 500479024 /nfs/dbraw/zinc/47/90/24/500479024.db2.gz YODDKGPTOLSZMW-KUHUBIRLSA-N -2 3 369.417 3.297 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc(C)c1Cl ZINC000442251384 500575819 /nfs/dbraw/zinc/57/58/19/500575819.db2.gz MZOQEDNUNFLLOB-UHFFFAOYSA-N -3 3 355.799 3.161 20 0 FGADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1OC ZINC000447795162 500663354 /nfs/dbraw/zinc/66/33/54/500663354.db2.gz MRQDDDMDOBEQMX-UHFFFAOYSA-N -2 3 361.778 3.003 20 0 FGADHL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000433495338 500704499 /nfs/dbraw/zinc/70/44/99/500704499.db2.gz DYISJIANBRMSBV-UHFFFAOYSA-N -3 3 373.839 3.267 20 0 FGADHL COc1ccc2nc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)sc2c1 ZINC000443449048 500726688 /nfs/dbraw/zinc/72/66/88/500726688.db2.gz CDUVPIFHKQQDGR-SREVYHEPSA-N -2 3 371.418 3.297 20 0 FGADHL Cc1cccc(-c2n[nH]cc2C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000443457000 500727354 /nfs/dbraw/zinc/72/73/54/500727354.db2.gz UHWBUFBFPKIJRH-VURMDHGXSA-N -2 3 364.405 3.377 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c(C)c1 ZINC000439624714 500919991 /nfs/dbraw/zinc/91/99/91/500919991.db2.gz KNMNBDMGWJYZCT-UHFFFAOYSA-N -2 3 361.419 3.152 20 0 FGADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000436557326 501156126 /nfs/dbraw/zinc/15/61/26/501156126.db2.gz TYDVOXSZOORICB-SNVBAGLBSA-N -2 3 373.796 3.307 20 0 FGADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c([O-])c1 ZINC000436647841 501178256 /nfs/dbraw/zinc/17/82/56/501178256.db2.gz LWVRKFJLEDWHSF-CQSZACIVSA-N -2 3 364.195 3.019 20 0 FGADHL CC(C)c1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)c([O-])c1 ZINC000436668541 501183118 /nfs/dbraw/zinc/18/31/18/501183118.db2.gz XKQFDFSBPZDWBN-UHFFFAOYSA-N -2 3 366.414 3.279 20 0 FGADHL O=C(NCc1ccc([O-])c(F)c1)c1cc(F)cc(Br)c1[O-] ZINC000436861108 501222875 /nfs/dbraw/zinc/22/28/75/501222875.db2.gz ZKGFLIYZMVSERD-UHFFFAOYSA-N -2 3 358.138 3.069 20 0 FGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)n[n-]1 ZINC000450974815 501236278 /nfs/dbraw/zinc/23/62/78/501236278.db2.gz WKFIXELKJCGWFL-UHFFFAOYSA-N -2 3 364.855 3.040 20 0 FGADHL O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Cl)c1[O-] ZINC000451018997 501239540 /nfs/dbraw/zinc/23/95/40/501239540.db2.gz SVWSBIXKPKKNJX-CYBMUJFWSA-N -2 3 369.826 3.014 20 0 FGADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cccc1C(=O)[O-] ZINC000485228896 501762040 /nfs/dbraw/zinc/76/20/40/501762040.db2.gz RVSDEVWPWGHWNB-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1)C(=O)[O-] ZINC000463779771 501819878 /nfs/dbraw/zinc/81/98/78/501819878.db2.gz VPLNWUAPWRLZLY-AWEZNQCLSA-N -2 3 363.435 3.149 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)ccc1[O-] ZINC000479537577 502290028 /nfs/dbraw/zinc/29/00/28/502290028.db2.gz ANHUBJPPHGUUQH-UHFFFAOYSA-N -2 3 360.435 3.337 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000500018765 503534888 /nfs/dbraw/zinc/53/48/88/503534888.db2.gz MLCPSBIOVHONNW-UHFFFAOYSA-N -2 3 357.679 3.384 20 0 FGADHL Cc1nc(C=Cc2cc(C(F)(F)F)ccc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504728692 503609340 /nfs/dbraw/zinc/60/93/40/503609340.db2.gz GFBIRQXHZIRTHP-GORDUTHDSA-N -2 3 356.275 3.446 20 0 FGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)c2ccc(F)cc2)c1 ZINC000530135735 503850552 /nfs/dbraw/zinc/85/05/52/503850552.db2.gz YJYVTHHJTXFUDW-KRWDZBQOSA-N -2 3 353.415 3.223 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCCc3ccccc32)c1 ZINC000546957665 503937886 /nfs/dbraw/zinc/93/78/86/503937886.db2.gz GELIITYFGVEWCD-CQSZACIVSA-N -2 3 351.449 3.192 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)sc1Cl ZINC000530541186 504003148 /nfs/dbraw/zinc/00/31/48/504003148.db2.gz KLSBNMSXVUQSIK-SECBINFHSA-N -2 3 353.893 3.125 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1C(=O)[O-] ZINC000534146728 504054932 /nfs/dbraw/zinc/05/49/32/504054932.db2.gz KMDBQODETIYYOW-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000547554674 504148012 /nfs/dbraw/zinc/14/80/12/504148012.db2.gz WEQHOJOKRHSFTN-VIFPVBQESA-N -2 3 368.282 3.409 20 0 FGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1 ZINC000547611481 504155495 /nfs/dbraw/zinc/15/54/95/504155495.db2.gz HJWPPLMIILOCCX-GFCCVEGCSA-N -2 3 371.817 3.016 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000544646924 504203490 /nfs/dbraw/zinc/20/34/90/504203490.db2.gz UTHNMXUFJUFHHP-CYBMUJFWSA-N -2 3 363.435 3.068 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000547869197 504254872 /nfs/dbraw/zinc/25/48/72/504254872.db2.gz WIHIAMGAARSNNY-UHFFFAOYSA-N -2 3 369.439 3.496 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1N(C)C ZINC000547876294 504256144 /nfs/dbraw/zinc/25/61/44/504256144.db2.gz YZEGYSFUSJJVDU-UHFFFAOYSA-N -2 3 362.451 3.177 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000547883170 504257124 /nfs/dbraw/zinc/25/71/24/504257124.db2.gz ZEXJILUYYFWQCU-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000547879715 504257261 /nfs/dbraw/zinc/25/72/61/504257261.db2.gz VMGVNEKYFSQTJT-VIFPVBQESA-N -2 3 368.282 3.409 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000547898090 504260151 /nfs/dbraw/zinc/26/01/51/504260151.db2.gz IYVFDMVKYCJRFW-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c1 ZINC000544938530 504305892 /nfs/dbraw/zinc/30/58/92/504305892.db2.gz GIBGDTKJEBBQEM-QGZVFWFLSA-N -2 3 363.410 3.262 20 0 FGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000548193203 504365569 /nfs/dbraw/zinc/36/55/69/504365569.db2.gz MGHWXYGBZYPYJR-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c(C)o1 ZINC000548242173 504373615 /nfs/dbraw/zinc/37/36/15/504373615.db2.gz BVNOHLPVLPVZSC-UHFFFAOYSA-N -2 3 374.212 3.158 20 0 FGADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000548262369 504377925 /nfs/dbraw/zinc/37/79/25/504377925.db2.gz PRNHGFFYQWLGQF-NSHDSACASA-N -2 3 369.389 3.485 20 0 FGADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000548262367 504378097 /nfs/dbraw/zinc/37/80/97/504378097.db2.gz PRNHGFFYQWLGQF-LLVKDONJSA-N -2 3 369.389 3.485 20 0 FGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000548539914 504479387 /nfs/dbraw/zinc/47/93/87/504479387.db2.gz DUZGQIFMYCLBTL-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000548566247 504483194 /nfs/dbraw/zinc/48/31/94/504483194.db2.gz BOXSJJNIOSTJRR-MEBBXXQBSA-N -2 3 371.817 3.219 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c1 ZINC000539400563 504557277 /nfs/dbraw/zinc/55/72/77/504557277.db2.gz QNZHYGKHUYHPMO-UHFFFAOYSA-N -2 3 373.377 3.154 20 0 FGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000562388098 504803457 /nfs/dbraw/zinc/80/34/57/504803457.db2.gz NEOGKHHNPBYSMP-SNVBAGLBSA-N -2 3 354.255 3.161 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000566781770 505270951 /nfs/dbraw/zinc/27/09/51/505270951.db2.gz OKAFXQDHTGBOPV-MRVPVSSYSA-N -2 3 353.774 3.215 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1F ZINC000558474024 505401558 /nfs/dbraw/zinc/40/15/58/505401558.db2.gz DUYQFMAMZFWNOZ-UHFFFAOYSA-N -2 3 363.288 3.401 20 0 FGADHL Cc1ccc(CS(=O)(=O)[N-]c2n[n-]c(SCc3ccccc3)n2)cc1 ZINC000567786352 505562876 /nfs/dbraw/zinc/56/28/76/505562876.db2.gz UKRPJKZKRGTFBV-UHFFFAOYSA-N -2 3 374.491 3.347 20 0 FGADHL Cc1ccc(-n2[n-]c(C(=O)N=c3cc(-c4ccccc4C)[n-][nH]3)cc2=O)cc1 ZINC000540418600 516545163 /nfs/dbraw/zinc/54/51/63/516545163.db2.gz SCDVJPFXUHXEEH-UHFFFAOYSA-N -2 3 373.416 3.425 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cccc(C(=O)[O-])c3)c2)n1 ZINC000820949312 598148933 /nfs/dbraw/zinc/14/89/33/598148933.db2.gz NMNYKOHVBFTMIE-UHFFFAOYSA-N -2 3 350.330 3.075 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000737211163 600100390 /nfs/dbraw/zinc/10/03/90/600100390.db2.gz XDGVMZKVGYDHBV-UHFFFAOYSA-N -2 3 368.386 3.424 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000325002913 600104959 /nfs/dbraw/zinc/10/49/59/600104959.db2.gz ASFIBYJRJXBXEA-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL CC(C)c1csc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000827144078 602010205 /nfs/dbraw/zinc/01/02/05/602010205.db2.gz BATIPZMPCNQOHS-UHFFFAOYSA-N -2 3 374.871 3.097 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H]3CCCC[C@H]3CNC(=O)[O-])nc2)n1 ZINC000827556867 603199179 /nfs/dbraw/zinc/19/91/79/603199179.db2.gz OCDJDIYCVAATTD-WFASDCNBSA-N -2 3 371.441 3.045 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)cc1 ZINC000833506893 605006185 /nfs/dbraw/zinc/00/61/85/605006185.db2.gz UELSBYDZSDRVDP-UHFFFAOYSA-N -2 3 350.396 3.365 20 0 FGADHL CC(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000833511458 605048116 /nfs/dbraw/zinc/04/81/16/605048116.db2.gz UDDQYUMWDUULDK-UHFFFAOYSA-N -2 3 374.871 3.097 20 0 FGADHL O=C([O-])C[C@H](NC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000833773388 605310369 /nfs/dbraw/zinc/31/03/69/605310369.db2.gz VPSRXVOJXUQKBJ-ZDUSSCGKSA-N -2 3 353.296 3.357 20 0 FGADHL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000833895456 605766564 /nfs/dbraw/zinc/76/65/64/605766564.db2.gz VEXXNIPQJDULAB-SECBINFHSA-N -2 3 357.391 3.264 20 0 FGADHL CCn1c(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])n[n-]c1=S ZINC000080024562 700308680 /nfs/dbraw/zinc/30/86/80/700308680.db2.gz LSSAYVMDVTYGKH-UHFFFAOYSA-N -2 3 362.842 3.403 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1 ZINC000522396506 714186297 /nfs/dbraw/zinc/18/62/97/714186297.db2.gz HBTDKUSFZHZBNC-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@@H]2C)cc1C(=O)[O-] ZINC000645974853 718256233 /nfs/dbraw/zinc/25/62/33/718256233.db2.gz DDNVZJGQQKYIMS-XXFAHNHDSA-N -2 3 367.398 3.027 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)sc1Cl ZINC000657142296 719573898 /nfs/dbraw/zinc/57/38/98/719573898.db2.gz DOASSWXFXLTADJ-ZJUUUORDSA-N -2 3 365.904 3.268 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000663418395 720511345 /nfs/dbraw/zinc/51/13/45/720511345.db2.gz FRSAWQRFZGEYDP-CQSZACIVSA-N -2 3 351.424 3.004 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1CC(=O)[O-] ZINC000678716901 721973289 /nfs/dbraw/zinc/97/32/89/721973289.db2.gz SZRLCZSOIDJYMM-UHFFFAOYSA-N -2 3 361.419 3.001 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC1CCCC1 ZINC000776554131 724158539 /nfs/dbraw/zinc/15/85/39/724158539.db2.gz AHIGKWKCCZNUNJ-NSHDSACASA-N -2 3 363.838 3.039 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000837286518 730014946 /nfs/dbraw/zinc/01/49/46/730014946.db2.gz IRQWMUKMIFJPCI-UHFFFAOYSA-N -2 3 361.419 3.344 20 0 FGADHL Cc1sc([C@H](C)NCc2c([O-])cccc2Br)nc1C(=O)[O-] ZINC000900079146 743061426 /nfs/dbraw/zinc/06/14/26/743061426.db2.gz QEQBDNRXCNAMFY-ZETCQYMHSA-N -2 3 371.256 3.469 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(Cl)cc1Cl ZINC000907053006 744181704 /nfs/dbraw/zinc/18/17/04/744181704.db2.gz JVHMYJXCSIQTEF-LURJTMIESA-N -2 3 374.192 3.015 20 0 FGADHL Cc1nc(C=Cc2cc(O)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000568456855 505698085 /nfs/dbraw/zinc/69/80/85/505698085.db2.gz OQKVYOXSGYINQH-IHWYPQMZSA-N -2 3 354.284 3.013 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000066608137 494366214 /nfs/dbraw/zinc/36/62/14/494366214.db2.gz IRVACTQDCXYQRK-UHFFFAOYSA-N -2 3 355.412 3.188 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(Br)ccc1F ZINC000131546270 494653894 /nfs/dbraw/zinc/65/38/94/494653894.db2.gz XMXCJWVYHRLVAS-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000136738852 495398516 /nfs/dbraw/zinc/39/85/16/495398516.db2.gz HTHOAZNERAPQBU-NSHDSACASA-N -2 3 354.255 3.161 20 0 FGADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000179723259 495704331 /nfs/dbraw/zinc/70/43/31/495704331.db2.gz LQNPIVXJRCPLPT-UHFFFAOYSA-N -2 3 368.842 3.450 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000571739180 505802466 /nfs/dbraw/zinc/80/24/66/505802466.db2.gz XWCLXFQADGAANE-LLVKDONJSA-N -2 3 354.255 3.161 20 0 FGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc2n[n-]nc2c1 ZINC000174922538 496166137 /nfs/dbraw/zinc/16/61/37/496166137.db2.gz QLTZTGSKDHJSKQ-UHFFFAOYSA-N -2 3 367.590 3.332 20 0 FGADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)[N-]c2nnc(C(F)F)s2)n1 ZINC000175871765 496581358 /nfs/dbraw/zinc/58/13/58/496581358.db2.gz OQHORZJVQWBROS-UHFFFAOYSA-N -2 3 369.328 3.067 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000237508714 497247580 /nfs/dbraw/zinc/24/75/80/497247580.db2.gz UGLXSYMZESRKQY-JTQLQIEISA-N -2 3 363.366 3.310 20 0 FGADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000575094714 505919267 /nfs/dbraw/zinc/91/92/67/505919267.db2.gz LGARAQAGJAYUGH-UHFFFAOYSA-N -2 3 366.406 3.190 20 0 FGADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000575094714 505919270 /nfs/dbraw/zinc/91/92/70/505919270.db2.gz LGARAQAGJAYUGH-UHFFFAOYSA-N -2 3 366.406 3.190 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)ccc1[O-] ZINC000569637196 505981371 /nfs/dbraw/zinc/98/13/71/505981371.db2.gz PULPBVAZKVMTFX-UHFFFAOYSA-N -2 3 360.435 3.419 20 0 FGADHL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000578706723 506000693 /nfs/dbraw/zinc/00/06/93/506000693.db2.gz WOWUBKWVIXLRLQ-UHFFFAOYSA-N -2 3 373.789 3.162 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c1 ZINC000572590739 506004596 /nfs/dbraw/zinc/00/45/96/506004596.db2.gz LTELUBOWZRZRIC-UHFFFAOYSA-N -2 3 353.446 3.140 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1Cl)CCC(=O)[O-] ZINC000318680121 498799325 /nfs/dbraw/zinc/79/93/25/498799325.db2.gz MOLLHWTZBPYLFS-UHFFFAOYSA-N -2 3 351.827 3.039 20 0 FGADHL COc1cc2c(cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1)O[C@H](C)C2 ZINC000570152778 506102917 /nfs/dbraw/zinc/10/29/17/506102917.db2.gz XRGVMDSDGLBAOH-VLWUPBBWSA-N -2 3 370.405 3.010 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)cs1 ZINC000414333189 499778708 /nfs/dbraw/zinc/77/87/08/499778708.db2.gz SPTVZWSKKXKUHZ-WPRPVWTQSA-N -2 3 371.402 3.236 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)sc1C(=O)[O-] ZINC000427239367 500371873 /nfs/dbraw/zinc/37/18/73/500371873.db2.gz OSBJVLYVGZFXTP-SNVBAGLBSA-N -2 3 367.439 3.249 20 0 FGADHL CCSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433490527 500703920 /nfs/dbraw/zinc/70/39/20/500703920.db2.gz XMWYATMAHUJPNS-UHFFFAOYSA-N -3 3 353.421 3.003 20 0 FGADHL CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433497799 500704540 /nfs/dbraw/zinc/70/45/40/500704540.db2.gz RPHSZCCFXHZZAP-UHFFFAOYSA-N -3 3 365.407 3.069 20 0 FGADHL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433512987 500706809 /nfs/dbraw/zinc/70/68/09/500706809.db2.gz YCLQUUKKEMCVQB-UHFFFAOYSA-N -3 3 365.407 3.070 20 0 FGADHL Cc1nc(C=Cc2cn(C)nc2C2CCCCC2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443441905 500725502 /nfs/dbraw/zinc/72/55/02/500725502.db2.gz GMHDAXKNBIXUBV-NTMALXAHSA-N -2 3 370.453 3.459 20 0 FGADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000443561964 500738567 /nfs/dbraw/zinc/73/85/67/500738567.db2.gz UULXWXIUGQMRDC-UHFFFAOYSA-N -2 3 370.283 3.207 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000445554431 501000781 /nfs/dbraw/zinc/00/07/81/501000781.db2.gz QQXCSKWLNZDLKS-DZGCQCFKSA-N -2 3 365.476 3.136 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)c1 ZINC000436478900 501135724 /nfs/dbraw/zinc/13/57/24/501135724.db2.gz OHPMRRAJKWHDOO-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)ccc1[O-] ZINC000481449290 501778980 /nfs/dbraw/zinc/77/89/80/501778980.db2.gz WJQDBXXDQATFCP-UHFFFAOYSA-N -2 3 360.435 3.030 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1cc([O-])ccc1Cl ZINC000481475449 501786866 /nfs/dbraw/zinc/78/68/66/501786866.db2.gz SWZLAVJPUKQBNV-UHFFFAOYSA-N -2 3 356.603 3.444 20 0 FGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1F ZINC000471129600 501930068 /nfs/dbraw/zinc/93/00/68/501930068.db2.gz PERYUGNJRJIDBZ-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1F ZINC000479538846 502290642 /nfs/dbraw/zinc/29/06/42/502290642.db2.gz FYWCVLXDXAQIJC-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1nc(C=Cc2ccccc2OC(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000470241304 502714109 /nfs/dbraw/zinc/71/41/09/502714109.db2.gz HTRIWDRQUWYIDG-VURMDHGXSA-N -2 3 350.321 3.280 20 0 FGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c2ccccc12 ZINC000504711366 503607396 /nfs/dbraw/zinc/60/73/96/503607396.db2.gz IBLOYCGHYDIZNS-CSKARUKUSA-N -2 3 350.374 3.450 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)c1 ZINC000537430012 503912699 /nfs/dbraw/zinc/91/26/99/503912699.db2.gz FLYDZTZCFYOPHB-CYBMUJFWSA-N -2 3 365.426 3.304 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)n(-c3ccc(C)cc3)n2)c1 ZINC000538296490 504195078 /nfs/dbraw/zinc/19/50/78/504195078.db2.gz NQSIMQSCGYMFIA-UHFFFAOYSA-N -2 3 373.434 3.004 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000538297925 504195304 /nfs/dbraw/zinc/19/53/04/504195304.db2.gz FULUAGHVZPKCAA-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c1Cl ZINC000548213439 504370462 /nfs/dbraw/zinc/37/04/62/504370462.db2.gz WMCLIEQLLNJLMN-YGRLFVJLSA-N -2 3 366.266 3.224 20 0 FGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)(CC(=O)[O-])C1 ZINC000548229821 504372855 /nfs/dbraw/zinc/37/28/55/504372855.db2.gz ZYIJYGPCVCJNJC-BMIGLBTASA-N -2 3 363.838 3.039 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1F ZINC000548259801 504376575 /nfs/dbraw/zinc/37/65/75/504376575.db2.gz BNQJXLSMQIBAKJ-UHFFFAOYSA-N -2 3 370.358 3.074 20 0 FGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548262869 504377733 /nfs/dbraw/zinc/37/77/33/504377733.db2.gz DHZCTWRJRHOSCO-NSHDSACASA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000539118672 504480597 /nfs/dbraw/zinc/48/05/97/504480597.db2.gz VSLYTQQZTCJAER-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000548547459 504481491 /nfs/dbraw/zinc/48/14/91/504481491.db2.gz DCQSGAYCGVWJHM-SECBINFHSA-N -2 3 354.255 3.305 20 0 FGADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC000563070459 505038976 /nfs/dbraw/zinc/03/89/76/505038976.db2.gz ZBBXBOCVIDROKU-ZDUSSCGKSA-N -2 3 359.350 3.076 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc1C(=O)[O-] ZINC000567797074 505563960 /nfs/dbraw/zinc/56/39/60/505563960.db2.gz MBWWYJHXXBLCOL-TZMCWYRMSA-N -2 3 367.398 3.040 20 0 FGADHL O=C(CCCC(=O)Nc1c([O-])cccc1F)Nc1c([O-])cccc1F ZINC000608367044 506529514 /nfs/dbraw/zinc/52/95/14/506529514.db2.gz GZEQDSMKOTZQTD-UHFFFAOYSA-N -2 3 350.321 3.124 20 0 FGADHL COc1ccc(OCCCS(=O)(=O)[N-]c2cc(Cl)ccc2[O-])cc1 ZINC000607103563 507611622 /nfs/dbraw/zinc/61/16/22/507611622.db2.gz GBTOBENGLCVJLI-UHFFFAOYSA-N -2 3 371.842 3.265 20 0 FGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c[n-]1 ZINC000586754242 507659203 /nfs/dbraw/zinc/65/92/03/507659203.db2.gz NZJZMNCUXUZEKG-UHFFFAOYSA-N -2 3 371.418 3.054 20 0 FGADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)[n-]1 ZINC000586754242 507659208 /nfs/dbraw/zinc/65/92/08/507659208.db2.gz NZJZMNCUXUZEKG-UHFFFAOYSA-N -2 3 371.418 3.054 20 0 FGADHL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000327387766 599852503 /nfs/dbraw/zinc/85/25/03/599852503.db2.gz QNEASJIFVRVCEQ-UHFFFAOYSA-N -2 3 359.447 3.383 20 0 FGADHL COc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1[O-] ZINC000738082658 600068648 /nfs/dbraw/zinc/06/86/48/600068648.db2.gz FODQJLILQPOTIS-UHFFFAOYSA-N -2 3 361.419 3.361 20 0 FGADHL CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737495697 600210571 /nfs/dbraw/zinc/21/05/71/600210571.db2.gz KHPBIISMAFCDAB-QGZVFWFLSA-N -2 3 363.373 3.339 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cc2F)nc2ccccc21 ZINC000823387737 607457318 /nfs/dbraw/zinc/45/73/18/607457318.db2.gz WJCKYFXIARXZTP-BQYQJAHWSA-N -2 3 361.336 3.423 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000823387737 607457319 /nfs/dbraw/zinc/45/73/19/607457319.db2.gz WJCKYFXIARXZTP-BQYQJAHWSA-N -2 3 361.336 3.423 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCCC2)cc1C(=O)[O-] ZINC000645958523 601219091 /nfs/dbraw/zinc/21/90/91/601219091.db2.gz XBJHIFSFGHDURH-UHFFFAOYSA-N -2 3 367.398 3.173 20 0 FGADHL CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000325296854 601234404 /nfs/dbraw/zinc/23/44/04/601234404.db2.gz YSOZBNGQUALIKP-JQWIXIFHSA-N -2 3 361.410 3.156 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000055687821 601325798 /nfs/dbraw/zinc/32/57/98/601325798.db2.gz FKHWRXCKEUYOGC-UHFFFAOYSA-N -2 3 367.398 3.422 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)cc1 ZINC000827444129 603400438 /nfs/dbraw/zinc/40/04/38/603400438.db2.gz CHVJLRVEDCIEQJ-GFCCVEGCSA-N -2 3 364.423 3.215 20 0 FGADHL Cn1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cc1C(=O)[O-] ZINC000833055478 604637137 /nfs/dbraw/zinc/63/71/37/604637137.db2.gz FHKZWYSTYAADCG-UHFFFAOYSA-N -2 3 364.757 3.115 20 0 FGADHL C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000833568652 604808346 /nfs/dbraw/zinc/80/83/46/604808346.db2.gz GYMFHNUHXQZEHJ-LKFCYVNXSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])Nc1cccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000834266159 605844914 /nfs/dbraw/zinc/84/49/14/605844914.db2.gz KKNJBTFICCZFEK-UHFFFAOYSA-N -2 3 373.319 3.021 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc(C(=O)[O-])c1F ZINC000133125911 700835282 /nfs/dbraw/zinc/83/52/82/700835282.db2.gz MGADMTUASACLMO-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)c1 ZINC000322866943 713813899 /nfs/dbraw/zinc/81/38/99/713813899.db2.gz OLEMIUCMRKGLTO-UHFFFAOYSA-N -2 3 371.201 3.364 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CCC2)cc1C(=O)[O-] ZINC000650439745 718677472 /nfs/dbraw/zinc/67/74/72/718677472.db2.gz NKWQWAYWHOMZFR-UHFFFAOYSA-N -2 3 369.826 3.297 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)sc1Cl ZINC000653493413 719047917 /nfs/dbraw/zinc/04/79/17/719047917.db2.gz VAVCTTOEAWMKLV-KXUCPTDWSA-N -2 3 365.904 3.124 20 0 FGADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1c([O-])cc(F)cc1F ZINC000681203319 722191852 /nfs/dbraw/zinc/19/18/52/722191852.db2.gz XJGZVSZJPIQQQR-UHFFFAOYSA-N -2 3 366.711 3.067 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1F ZINC000749140731 722717568 /nfs/dbraw/zinc/71/75/68/722717568.db2.gz FIELNRCCTKYEKI-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1nc([C@@H](C)NC(=O)c2cc([O-])cc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000909504716 744371328 /nfs/dbraw/zinc/37/13/28/744371328.db2.gz DQWYCWYUFOJDGG-SSDOTTSWSA-N -2 3 374.340 3.365 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000060800326 493954671 /nfs/dbraw/zinc/95/46/71/493954671.db2.gz NHPYXKUKBYXFQI-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000013269543 494283909 /nfs/dbraw/zinc/28/39/09/494283909.db2.gz PPQQMBOJGUXJHA-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])c(F)c1 ZINC000571375407 505718146 /nfs/dbraw/zinc/71/81/46/505718146.db2.gz RPYVPOJTLLOUMQ-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000067941836 494702165 /nfs/dbraw/zinc/70/21/65/494702165.db2.gz QMWKYXVTCCMFMR-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179459325 495600113 /nfs/dbraw/zinc/60/01/13/495600113.db2.gz HXHBELSCSFFACU-UHFFFAOYSA-N -2 3 354.815 3.060 20 0 FGADHL COc1nc([N-]C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n[n-]1 ZINC000182988534 495787159 /nfs/dbraw/zinc/78/71/59/495787159.db2.gz PDIPNAAOKKXQKP-UHFFFAOYSA-N -2 3 367.390 3.449 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)on1 ZINC000185069219 496645616 /nfs/dbraw/zinc/64/56/16/496645616.db2.gz XXTZCICPBDVLIY-UHFFFAOYSA-N -2 3 366.439 3.063 20 0 FGADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000189415952 497110805 /nfs/dbraw/zinc/11/08/05/497110805.db2.gz KELCHLMJNSUBLI-SECBINFHSA-N -2 3 351.405 3.232 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000383763771 499546904 /nfs/dbraw/zinc/54/69/04/499546904.db2.gz SJRRIAIDHZFFNL-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000391713005 499557160 /nfs/dbraw/zinc/55/71/60/499557160.db2.gz AIJZEMRYCOLQAN-SECBINFHSA-N -2 3 373.780 3.281 20 0 FGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447275785 500583892 /nfs/dbraw/zinc/58/38/92/500583892.db2.gz XKSGSMXZJWQHMY-UHFFFAOYSA-N -2 3 361.419 3.218 20 0 FGADHL O=C(N=c1[nH][n-]cc1Br)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436738189 501201310 /nfs/dbraw/zinc/20/13/10/501201310.db2.gz KXBIAHICCFYSIS-UHFFFAOYSA-N -2 3 372.222 3.143 20 0 FGADHL COc1cc(/C=C/c2cc(C(=O)[O-])ccn2)c(Br)cc1[O-] ZINC000436858514 501222388 /nfs/dbraw/zinc/22/23/88/501222388.db2.gz GEOODUBUJRGFKH-NSCUHMNNSA-N -2 3 350.168 3.427 20 0 FGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2csc3ccccc23)ccc1[O-] ZINC000436900703 501229589 /nfs/dbraw/zinc/22/95/89/501229589.db2.gz JHCUEQUFVKDQSH-UHFFFAOYSA-N -2 3 363.416 3.194 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CC12CCC(CC1)C2 ZINC000461334126 502074090 /nfs/dbraw/zinc/07/40/90/502074090.db2.gz SOBNBUUSTVRMBB-UHFFFAOYSA-N -2 3 355.481 3.429 20 0 FGADHL Cc1ccc(OC(F)F)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504719629 503608117 /nfs/dbraw/zinc/60/81/17/503608117.db2.gz BUDYDZKZPQFOEB-XQRVVYSFSA-N -2 3 350.321 3.198 20 0 FGADHL Cc1nc(C=Cc2ccc(F)c(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504733473 503609664 /nfs/dbraw/zinc/60/96/64/503609664.db2.gz VJMFCQPHYLQIBX-HYXAFXHYSA-N -2 3 356.275 3.446 20 0 FGADHL Cc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000504743770 503611655 /nfs/dbraw/zinc/61/16/55/503611655.db2.gz XXEPXKOWCJVCTQ-AATRIKPKSA-N -2 3 363.211 3.359 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000540497109 503793529 /nfs/dbraw/zinc/79/35/29/503793529.db2.gz LSSQEBBWYXFGCY-UHFFFAOYSA-N -2 3 372.402 3.389 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)CC2(C#N)CCCCC2)c1 ZINC000547553837 504147280 /nfs/dbraw/zinc/14/72/80/504147280.db2.gz HXAFUKOEYWYGPH-UHFFFAOYSA-N -2 3 350.440 3.217 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547562108 504149107 /nfs/dbraw/zinc/14/91/07/504149107.db2.gz DVJFOOLQBUCCKZ-HNNXBMFYSA-N -2 3 359.831 3.174 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547571797 504149890 /nfs/dbraw/zinc/14/98/90/504149890.db2.gz GPPVPHPONHDAHD-SECBINFHSA-N -2 3 371.352 3.156 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000547616541 504156373 /nfs/dbraw/zinc/15/63/73/504156373.db2.gz SPZHGXXDAVSQAY-SECBINFHSA-N -2 3 354.255 3.305 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000538296495 504195278 /nfs/dbraw/zinc/19/52/78/504195278.db2.gz MHTYEAWRIDHHKF-UHFFFAOYSA-N -2 3 373.434 3.004 20 0 FGADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547933048 504265415 /nfs/dbraw/zinc/26/54/15/504265415.db2.gz MTISTHYPCGZIII-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c1Cl ZINC000548213437 504370058 /nfs/dbraw/zinc/37/00/58/504370058.db2.gz WMCLIEQLLNJLMN-IINYFYTJSA-N -2 3 366.266 3.224 20 0 FGADHL O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cc([O-])cc(F)c1 ZINC000542236654 504416760 /nfs/dbraw/zinc/41/67/60/504416760.db2.gz QJIVFHYSFONLFP-UHFFFAOYSA-N -2 3 366.345 3.267 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000548535419 504478950 /nfs/dbraw/zinc/47/89/50/504478950.db2.gz UXXNHAFVXAMJBQ-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000562644002 504891537 /nfs/dbraw/zinc/89/15/37/504891537.db2.gz VUHHUSIBMFUHEN-GFCCVEGCSA-N -2 3 355.843 3.415 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000566655635 505234443 /nfs/dbraw/zinc/23/44/43/505234443.db2.gz AYHZIQAEFAOWHO-MRVPVSSYSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)c1 ZINC000567154428 505379656 /nfs/dbraw/zinc/37/96/56/505379656.db2.gz RGWYYXJVRWNVLM-LLVKDONJSA-N -2 3 371.455 3.051 20 0 FGADHL O=C([O-])C1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000564656531 505484633 /nfs/dbraw/zinc/48/46/33/505484633.db2.gz ULFSLZSEOFRVNX-UHFFFAOYSA-N -2 3 369.446 3.361 20 0 FGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1nccs1 ZINC000583562526 506850424 /nfs/dbraw/zinc/85/04/24/506850424.db2.gz XVQLRCMRCFGYTE-AWEZNQCLSA-N -2 3 374.871 3.098 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(C)c1C ZINC000604971890 507011871 /nfs/dbraw/zinc/01/18/71/507011871.db2.gz BBCPKVVDLOGFBM-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL O=C(N=c1[n-]nc(-c2cc3ccccc3o2)s1)NCc1ncccc1[O-] ZINC000470258540 516186682 /nfs/dbraw/zinc/18/66/82/516186682.db2.gz JEXIYTLCAPZDEV-UHFFFAOYSA-N -2 3 367.390 3.374 20 0 FGADHL CCOc1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc(Cl)c1[O-] ZINC000616826940 520164020 /nfs/dbraw/zinc/16/40/20/520164020.db2.gz VCRKMYMQPRRFNS-LBPRGKRZSA-N -2 3 351.790 3.271 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)o1 ZINC000319963953 599767546 /nfs/dbraw/zinc/76/75/46/599767546.db2.gz DIGKPWREVAGODK-SNVBAGLBSA-N -2 3 373.839 3.147 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1C(=O)[O-] ZINC000738464018 600103739 /nfs/dbraw/zinc/10/37/39/600103739.db2.gz VTQDJUTZYPUNND-UHFFFAOYSA-N -2 3 374.462 3.403 20 0 FGADHL O=C([O-])c1cc2ccccc2cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000238019223 600485136 /nfs/dbraw/zinc/48/51/36/600485136.db2.gz QRABLHJULHEYHD-UHFFFAOYSA-N -2 3 359.341 3.027 20 0 FGADHL Cc1nc(C(C)C)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738841952 600535958 /nfs/dbraw/zinc/53/59/58/600535958.db2.gz WDIPRGLMVDVJNL-UHFFFAOYSA-N -2 3 354.457 3.086 20 0 FGADHL O=C([O-])Cc1nc([N-]C(=O)c2cc3sc4ccccc4c3s2)n[nH]1 ZINC000739911113 600536967 /nfs/dbraw/zinc/53/69/67/600536967.db2.gz VXMRZTJGIQVZBG-UHFFFAOYSA-N -2 3 358.404 3.114 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c1F ZINC000833295132 601230703 /nfs/dbraw/zinc/23/07/03/601230703.db2.gz LFMWINVYDMXBPX-UHFFFAOYSA-N -2 3 367.373 3.021 20 0 FGADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000826727033 601234720 /nfs/dbraw/zinc/23/47/20/601234720.db2.gz HATPFVXJOOWSRU-QWRGUYRKSA-N -2 3 361.410 3.156 20 0 FGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000261846465 601258163 /nfs/dbraw/zinc/25/81/63/601258163.db2.gz ZKHPJTMBDKLJDB-UHFFFAOYSA-N -2 3 373.780 3.281 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN(C)C(=O)[O-])c1 ZINC000740077220 602655762 /nfs/dbraw/zinc/65/57/62/602655762.db2.gz IUJRQKZNLRGOJI-UHFFFAOYSA-N -2 3 352.387 3.045 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCC(C)(C)NC(=O)[O-])c2)n1 ZINC000739536120 602792312 /nfs/dbraw/zinc/79/23/12/602792312.db2.gz NJTCGCRBENWIAG-UHFFFAOYSA-N -2 3 372.425 3.177 20 0 FGADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000833774878 604863049 /nfs/dbraw/zinc/86/30/49/604863049.db2.gz KZBGORNBXACVPK-UHFFFAOYSA-N -2 3 361.419 3.218 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CCCc2ccccc2)sc1Cl ZINC000190281346 712810576 /nfs/dbraw/zinc/81/05/76/712810576.db2.gz DJQIONPPIYDUNG-UHFFFAOYSA-N -2 3 372.899 3.042 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1F ZINC000314608363 713805331 /nfs/dbraw/zinc/80/53/31/713805331.db2.gz QJPKKQFOFBPCAA-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1nc(C=Cc2cscc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504722569 714115692 /nfs/dbraw/zinc/11/56/92/714115692.db2.gz VXTUDRVCNZVBDQ-NSCUHMNNSA-N -2 3 355.213 3.112 20 0 FGADHL COc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1F ZINC000794875137 723549918 /nfs/dbraw/zinc/54/99/18/723549918.db2.gz MTCQOTMAUNISJZ-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)CC1CCCC1 ZINC000776554606 724158422 /nfs/dbraw/zinc/15/84/22/724158422.db2.gz HXTRZQFTRJNACY-NSHDSACASA-N -2 3 363.838 3.039 20 0 FGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000814212784 726948431 /nfs/dbraw/zinc/94/84/31/726948431.db2.gz YCNSJGYSMVITAB-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL Cc1nc(C2CCN(C(=O)c3ccc(C)cc3[O-])CC2)sc1C(=O)[O-] ZINC000864224860 733044805 /nfs/dbraw/zinc/04/48/05/733044805.db2.gz IQAHGNLVFSSYLY-UHFFFAOYSA-N -2 3 360.435 3.184 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc(F)c1Cl ZINC000871921553 735565910 /nfs/dbraw/zinc/56/59/10/735565910.db2.gz PAMAUOSCFKPNSJ-ZETCQYMHSA-N -2 3 371.764 3.034 20 0 FGADHL O=C([O-])C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000908642753 744303835 /nfs/dbraw/zinc/30/38/35/744303835.db2.gz SUKUMYLOELNOGQ-CYBMUJFWSA-N -2 3 351.399 3.248 20 0 FGADHL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909768719 744389550 /nfs/dbraw/zinc/38/95/50/744389550.db2.gz WJVNZMXDVRRTSQ-INIZCTEOSA-N -2 3 353.296 3.025 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000102841796 257351580 /nfs/dbraw/zinc/35/15/80/257351580.db2.gz SOMFOPPXHISAJH-UHFFFAOYSA-N -2 3 369.446 3.109 20 0 FGADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000573718045 505603332 /nfs/dbraw/zinc/60/33/32/505603332.db2.gz HKNYABIGNFCYCE-CYBMUJFWSA-N -2 3 366.464 3.051 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000580182864 505698004 /nfs/dbraw/zinc/69/80/04/505698004.db2.gz IYHWUQOARRLRRV-NHYWBVRUSA-N -2 3 353.415 3.003 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2F)C(C)C)cc1C(=O)[O-] ZINC000568506611 505711807 /nfs/dbraw/zinc/71/18/07/505711807.db2.gz DSNKICACNNXQIP-HNNXBMFYSA-N -2 3 373.377 3.240 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1sccc1Br ZINC000131407435 494608269 /nfs/dbraw/zinc/60/82/69/494608269.db2.gz PHBVSLMXMOFGCW-UHFFFAOYSA-N -2 3 352.206 3.156 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1CC ZINC000091579150 494619707 /nfs/dbraw/zinc/61/97/07/494619707.db2.gz QVODWFOPSYJXCD-UHFFFAOYSA-N -2 3 362.451 3.276 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000047454419 494714601 /nfs/dbraw/zinc/71/46/01/494714601.db2.gz BFBRBXOFWLEFOV-UHFFFAOYSA-N -2 3 367.398 3.360 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000129740875 495288981 /nfs/dbraw/zinc/28/89/81/495288981.db2.gz WGVQHYFMPBXCDI-LLVKDONJSA-N -2 3 366.247 3.159 20 0 FGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000185053453 496639647 /nfs/dbraw/zinc/63/96/47/496639647.db2.gz ALTWSFIUZYFCSJ-LBPRGKRZSA-N -2 3 354.435 3.403 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000578116842 505865692 /nfs/dbraw/zinc/86/56/92/505865692.db2.gz JIXPIOQLFRAMPN-MFKMUULPSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000569642780 505982490 /nfs/dbraw/zinc/98/24/90/505982490.db2.gz KWNLVBNYXGFEJZ-UHFFFAOYSA-N -2 3 371.842 3.318 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c1 ZINC000578823519 506028754 /nfs/dbraw/zinc/02/87/54/506028754.db2.gz IGCKSQYHAFNLMG-UHFFFAOYSA-N -2 3 361.419 3.184 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317173547 498790992 /nfs/dbraw/zinc/79/09/92/498790992.db2.gz ULLCPNMMEBQFHO-TZMCWYRMSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000321304661 498812271 /nfs/dbraw/zinc/81/22/71/498812271.db2.gz ZRBYLNUCTHMTIZ-GFCCVEGCSA-N -2 3 374.245 3.140 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])ccc1OC(C)C ZINC000326765333 498848360 /nfs/dbraw/zinc/84/83/60/498848360.db2.gz PFTMGIHUVAQUTA-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL C[C@@]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)(C(=O)[O-])C1CC1 ZINC000576224488 506106607 /nfs/dbraw/zinc/10/66/07/506106607.db2.gz SOMTVBZJMRPWPY-AWEZNQCLSA-N -2 3 359.856 3.086 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000378477898 499522016 /nfs/dbraw/zinc/52/20/16/499522016.db2.gz WGXNSABYNNIJFJ-UHFFFAOYSA-N -2 3 363.373 3.037 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387973589 499550222 /nfs/dbraw/zinc/55/02/22/499550222.db2.gz MIBHNHBKLNBWAH-NXEZZACHSA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000392293183 499558503 /nfs/dbraw/zinc/55/85/03/499558503.db2.gz NPWWOKJSBKLSNH-UHFFFAOYSA-N -2 3 367.398 3.360 20 0 FGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000421152607 499973856 /nfs/dbraw/zinc/97/38/56/499973856.db2.gz KVLWDMDISBPRNS-LLVKDONJSA-N -2 3 371.377 3.094 20 0 FGADHL COc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)c(Br)c1[O-] ZINC000426816550 500324283 /nfs/dbraw/zinc/32/42/83/500324283.db2.gz LJBMBSVVIIXVPE-GFCCVEGCSA-N -2 3 372.240 3.140 20 0 FGADHL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000427253426 500373780 /nfs/dbraw/zinc/37/37/80/500373780.db2.gz OVFWTOGRIORUMH-UHFFFAOYSA-N -2 3 373.789 3.162 20 0 FGADHL O=C([O-])COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000432709901 500551364 /nfs/dbraw/zinc/55/13/64/500551364.db2.gz USHQZWVIOQEKGC-LGMDPLHJSA-N -2 3 362.385 3.017 20 0 FGADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1c([O-])cccc1O ZINC000436647132 501178181 /nfs/dbraw/zinc/17/81/81/501178181.db2.gz KLRAXGNOTWADMN-UHFFFAOYSA-N -2 3 358.575 3.472 20 0 FGADHL O=S(=O)([N-]c1ccc(O[C@H]2CCOC2)cc1)c1cccc(Cl)c1[O-] ZINC000451018998 501239617 /nfs/dbraw/zinc/23/96/17/501239617.db2.gz SVWSBIXKPKKNJX-ZDUSSCGKSA-N -2 3 369.826 3.014 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1 ZINC000481973388 501933445 /nfs/dbraw/zinc/93/34/45/501933445.db2.gz ZHJZHQAXDBOZGX-UHFFFAOYSA-N -2 3 365.382 3.256 20 0 FGADHL O=C(CCCc1ccc([O-])c(F)c1)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000469052741 502278864 /nfs/dbraw/zinc/27/88/64/502278864.db2.gz RNXKTZFCPJILCY-UHFFFAOYSA-N -2 3 371.437 3.357 20 0 FGADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000476277796 502440975 /nfs/dbraw/zinc/44/09/75/502440975.db2.gz QJNUPZOPZDINDI-UHFFFAOYSA-N -2 3 367.810 3.082 20 0 FGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000484542958 502665015 /nfs/dbraw/zinc/66/50/15/502665015.db2.gz KCWWXUIVVNAJJN-UHFFFAOYSA-N -2 3 367.854 3.415 20 0 FGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000515371547 503326138 /nfs/dbraw/zinc/32/61/38/503326138.db2.gz YPDYPDKFJCRYFG-VIFPVBQESA-N -2 3 351.346 3.091 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1OCC(=O)[O-] ZINC000500323855 503603339 /nfs/dbraw/zinc/60/33/39/503603339.db2.gz DKHHYSIWROKONP-UHFFFAOYSA-N -2 3 363.435 3.383 20 0 FGADHL Cc1cc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])c(C)c3)ccc2[nH]1 ZINC000500351437 503606658 /nfs/dbraw/zinc/60/66/58/503606658.db2.gz UMHJUFFDABTSJP-UHFFFAOYSA-N -2 3 374.418 3.049 20 0 FGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000504728328 503609380 /nfs/dbraw/zinc/60/93/80/503609380.db2.gz BPJPSCCORXZCII-CLFYSBASSA-N -2 3 372.421 3.476 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(C)c1C(=O)[O-] ZINC000512789773 503632105 /nfs/dbraw/zinc/63/21/05/503632105.db2.gz AMHFDLJZCARVCJ-UHFFFAOYSA-N -2 3 371.361 3.404 20 0 FGADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2ccccc12 ZINC000540630550 503837855 /nfs/dbraw/zinc/83/78/55/503837855.db2.gz UAABBXJHIVNBHQ-UHFFFAOYSA-N -2 3 364.142 3.313 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2CC)c(C)c1 ZINC000530957463 504142170 /nfs/dbraw/zinc/14/21/70/504142170.db2.gz WJEZTVNIJRFVFL-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547572515 504149613 /nfs/dbraw/zinc/14/96/13/504149613.db2.gz CLQZMPIKLAFJBR-PBHICJAKSA-N -2 3 369.414 3.192 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C1CCC1 ZINC000547609380 504155459 /nfs/dbraw/zinc/15/54/59/504155459.db2.gz VPHJHOXYZBANFH-CQSZACIVSA-N -2 3 353.827 3.025 20 0 FGADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538298491 504195934 /nfs/dbraw/zinc/19/59/34/504195934.db2.gz NVDSKVUTQIZXJF-UHFFFAOYSA-N -2 3 357.815 3.254 20 0 FGADHL O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cccc([O-])c1 ZINC000547721510 504200156 /nfs/dbraw/zinc/20/01/56/504200156.db2.gz UZYISIJPTOFPDV-UHFFFAOYSA-N -2 3 354.406 3.413 20 0 FGADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000547865917 504253462 /nfs/dbraw/zinc/25/34/62/504253462.db2.gz KIXRSZDLSQWAFG-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL O=C([O-])[C@@H](CCCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547900869 504260122 /nfs/dbraw/zinc/26/01/22/504260122.db2.gz BHSNVFFKNPEXKD-GFCCVEGCSA-N -2 3 373.883 3.156 20 0 FGADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547912099 504262328 /nfs/dbraw/zinc/26/23/28/504262328.db2.gz HFOYOBHFDQABAB-WCQYABFASA-N -2 3 363.838 3.181 20 0 FGADHL CCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000548259784 504376255 /nfs/dbraw/zinc/37/62/55/504376255.db2.gz AWZHQVGJGUBUIJ-UHFFFAOYSA-N -2 3 355.362 3.416 20 0 FGADHL CC1([C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])CCCCC1 ZINC000548684227 504527584 /nfs/dbraw/zinc/52/75/84/504527584.db2.gz YBFMJNJUAPWHCQ-NSHDSACASA-N -2 3 351.877 3.103 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000536307830 504693305 /nfs/dbraw/zinc/69/33/05/504693305.db2.gz WJUSFZZOKBIARY-HZMBPMFUSA-N -2 3 355.843 3.271 20 0 FGADHL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c2ccccc2n1C ZINC000556346145 504850094 /nfs/dbraw/zinc/85/00/94/504850094.db2.gz SBLGVVDMMYCFBU-UHFFFAOYSA-N -2 3 362.382 3.125 20 0 FGADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560416860 505077507 /nfs/dbraw/zinc/07/75/07/505077507.db2.gz AAXRJIMTOJGDDL-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3ccccc3)nc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000563857179 505258884 /nfs/dbraw/zinc/25/88/84/505258884.db2.gz UMVZGSDKIWOFDI-CLFYSBASSA-N -2 3 362.389 3.135 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2c2ccccc2)c1 ZINC000552006739 505368206 /nfs/dbraw/zinc/36/82/06/505368206.db2.gz UBYVWIJLULGCLL-CABCVRRESA-N -2 3 365.476 3.451 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(F)cccc1OC(F)(F)F ZINC000561694527 505412017 /nfs/dbraw/zinc/41/20/17/505412017.db2.gz LJEXXNYXNUIZAL-UHFFFAOYSA-N -2 3 369.267 3.370 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1C ZINC000604971633 507012712 /nfs/dbraw/zinc/01/27/12/507012712.db2.gz FBHYKMXWMVWSDS-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cn1c(C2CC2)n[n-]c1=NC(=O)c1cc2cc(Br)sc2[n-]1 ZINC000617289129 520415145 /nfs/dbraw/zinc/41/51/45/520415145.db2.gz CBHMODMVORKELQ-UHFFFAOYSA-N -2 3 366.244 3.250 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1 ZINC000327539146 597313011 /nfs/dbraw/zinc/31/30/11/597313011.db2.gz ZWDXEENZSGBGJF-UHFFFAOYSA-N -2 3 363.435 3.149 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000737211052 599853155 /nfs/dbraw/zinc/85/31/55/599853155.db2.gz TUUHPJPYDLZPFM-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL O=C([O-])C[C@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739639279 600088321 /nfs/dbraw/zinc/08/83/21/600088321.db2.gz JVRQZMQIBQEOAK-LLVKDONJSA-N -2 3 373.434 3.486 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1O ZINC000740226920 600392278 /nfs/dbraw/zinc/39/22/78/600392278.db2.gz FUJRFZYCWPXISO-CMDGGOBGSA-N -2 3 353.783 3.156 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1F ZINC000326743801 601228568 /nfs/dbraw/zinc/22/85/68/601228568.db2.gz JZNYFWAOBRIOED-INIZCTEOSA-N -2 3 367.373 3.093 20 0 FGADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000830269930 601250886 /nfs/dbraw/zinc/25/08/86/601250886.db2.gz HXJOOTJQYNSTQJ-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL Cc1ccc(CC(=O)[N-]OCCOc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000832929332 601351413 /nfs/dbraw/zinc/35/14/13/601351413.db2.gz RYIWFLAVAMUQGN-UHFFFAOYSA-N -2 3 363.797 3.016 20 0 FGADHL O=C([O-])c1ccc(CCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000833102228 601586925 /nfs/dbraw/zinc/58/69/25/601586925.db2.gz OAPZHHQOHHHWPN-UHFFFAOYSA-N -2 3 364.195 3.424 20 0 FGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)ccc2O1 ZINC000828077940 602309369 /nfs/dbraw/zinc/30/93/69/602309369.db2.gz FCKGDWFDJXUZDP-BJMVGYQFSA-N -2 3 373.430 3.299 20 0 FGADHL CCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739365000 602546332 /nfs/dbraw/zinc/54/63/32/602546332.db2.gz SXQYDUYZNRKLRK-LBPRGKRZSA-N -2 3 370.409 3.046 20 0 FGADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000834251879 605898351 /nfs/dbraw/zinc/89/83/51/605898351.db2.gz TXAHIBWRDHUSJY-HNNXBMFYSA-N -2 3 373.796 3.344 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000654779522 719231230 /nfs/dbraw/zinc/23/12/30/719231230.db2.gz OFABGGVYSDZZGX-NXEZZACHSA-N -2 3 351.877 3.103 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000654779523 719231297 /nfs/dbraw/zinc/23/12/97/719231297.db2.gz OFABGGVYSDZZGX-UWVGGRQHSA-N -2 3 351.877 3.103 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2c3cccc(F)c3CC[C@@H]2C)oc1C(=O)[O-] ZINC000663424696 720512313 /nfs/dbraw/zinc/51/23/13/720512313.db2.gz RGUABDWELJIIOJ-BJOHPYRUSA-N -2 3 367.398 3.027 20 0 FGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000793362691 723429841 /nfs/dbraw/zinc/42/98/41/723429841.db2.gz CMMGIWRQEVUDPD-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)CC1CCCC1 ZINC000776552060 724157970 /nfs/dbraw/zinc/15/79/70/724157970.db2.gz MDRQESVZTGKOSP-NSHDSACASA-N -2 3 363.838 3.039 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1 ZINC000110277242 209321591 /nfs/dbraw/zinc/32/15/91/209321591.db2.gz UOJYAUCCQSMWAM-UHFFFAOYSA-N -2 3 367.398 3.015 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c(F)c1 ZINC000110275657 209321498 /nfs/dbraw/zinc/32/14/98/209321498.db2.gz IXJQLNKMLSLOIV-UHFFFAOYSA-N -2 3 367.398 3.015 20 0 FGADHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2ccccc2SC)C(=O)[O-])cc1 ZINC000576881957 505616293 /nfs/dbraw/zinc/61/62/93/505616293.db2.gz UUMQHGZDUYZNCB-MRXNPFEDSA-N -2 3 365.476 3.075 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000030040248 493876640 /nfs/dbraw/zinc/87/66/40/493876640.db2.gz DHXBBDZWTGSQRS-UHFFFAOYSA-N -2 3 357.679 3.384 20 0 FGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000031668915 493954662 /nfs/dbraw/zinc/95/46/62/493954662.db2.gz PCROENFETIWMPG-UHFFFAOYSA-N -2 3 374.418 3.001 20 0 FGADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032585914 493997695 /nfs/dbraw/zinc/99/76/95/493997695.db2.gz WWTRJQMCJXJATQ-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)c(F)c1 ZINC000063009461 494026480 /nfs/dbraw/zinc/02/64/80/494026480.db2.gz JPUIIRALBFJSRH-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2n[n-]c(=S)n2C2CC2)C1 ZINC000080027467 494573175 /nfs/dbraw/zinc/57/31/75/494573175.db2.gz OEVIZECENVSQTE-JTQLQIEISA-N -2 3 362.430 3.140 20 0 FGADHL CC(C)n1c([C@@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)n[n-]c1=S ZINC000080027459 494573463 /nfs/dbraw/zinc/57/34/63/494573463.db2.gz QLMRGWMRZDNHRS-LLVKDONJSA-N -2 3 364.446 3.386 20 0 FGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000130000802 495326718 /nfs/dbraw/zinc/32/67/18/495326718.db2.gz JPEREHDHCNDUGE-UHFFFAOYSA-N -2 3 369.343 3.353 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000136737844 495398972 /nfs/dbraw/zinc/39/89/72/495398972.db2.gz LDGUEAUFEYWCGV-NSHDSACASA-N -2 3 354.255 3.161 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000172605467 496360927 /nfs/dbraw/zinc/36/09/27/496360927.db2.gz DHYOILPKYTYYGX-UHFFFAOYSA-N -2 3 351.399 3.297 20 0 FGADHL CCC(CC)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000165033711 496645250 /nfs/dbraw/zinc/64/52/50/496645250.db2.gz MMLQXVPOXQFGAZ-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])sc1Cl ZINC000231807895 497110337 /nfs/dbraw/zinc/11/03/37/497110337.db2.gz HLSGERVIRBOMHZ-RNCFNFMXSA-N -2 3 351.877 3.022 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])sc1Cl ZINC000231807892 497110551 /nfs/dbraw/zinc/11/05/51/497110551.db2.gz HLSGERVIRBOMHZ-TVQRCGJNSA-N -2 3 351.877 3.022 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000569893725 506040273 /nfs/dbraw/zinc/04/02/73/506040273.db2.gz JMCJHLMWELAXSN-SNVBAGLBSA-N -2 3 367.389 3.053 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000314469016 498774996 /nfs/dbraw/zinc/77/49/96/498774996.db2.gz MYOCIJPBMLIQDV-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000317521475 498793011 /nfs/dbraw/zinc/79/30/11/498793011.db2.gz IXMPLWFQVYORAM-SKDRFNHKSA-N -2 3 366.266 3.305 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000320676589 498808656 /nfs/dbraw/zinc/80/86/56/498808656.db2.gz NZYZRWXRSZDBON-CPCISQLKSA-N -2 3 373.780 3.136 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000327921975 498864104 /nfs/dbraw/zinc/86/41/04/498864104.db2.gz AOJFXDOMOOVOSJ-ZDUSSCGKSA-N -2 3 363.435 3.464 20 0 FGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000391381553 499556875 /nfs/dbraw/zinc/55/68/75/499556875.db2.gz WVRZPBLIGHVCMW-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL O=C([O-])c1ccccc1OCCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376883551 499643606 /nfs/dbraw/zinc/64/36/06/499643606.db2.gz JINSPMCEQXPDPT-UHFFFAOYSA-N -2 3 369.417 3.064 20 0 FGADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000582310552 506183505 /nfs/dbraw/zinc/18/35/05/506183505.db2.gz LWNXCJOPVFZERY-UHFFFAOYSA-N -2 3 364.405 3.322 20 0 FGADHL CCOc1cc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000424413053 500499929 /nfs/dbraw/zinc/49/99/29/500499929.db2.gz OCJRHNMMISIJEO-QMTHXVAHSA-N -2 3 372.259 3.239 20 0 FGADHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000437000562 500590361 /nfs/dbraw/zinc/59/03/61/500590361.db2.gz MUMRDRHMZSOOFI-LJQANCHMSA-N -2 3 363.417 3.232 20 0 FGADHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2c([O-])cccc2F)[nH][n-]1 ZINC000436610400 501168919 /nfs/dbraw/zinc/16/89/19/501168919.db2.gz XXPVVPVLZNNBNO-UHFFFAOYSA-N -2 3 361.760 3.258 20 0 FGADHL CC[C@](NC(=O)c1cc(OC)ccc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC000436668120 501183599 /nfs/dbraw/zinc/18/35/99/501183599.db2.gz WWGSOQGUVUWRII-GOSISDBHSA-N -2 3 363.797 3.174 20 0 FGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]nc(-c2ccccn2)s1 ZINC000436853801 501221927 /nfs/dbraw/zinc/22/19/27/501221927.db2.gz DSMUWZNUKUMBPX-UHFFFAOYSA-N -2 3 354.435 3.412 20 0 FGADHL COc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])c([O-])c1 ZINC000436895217 501229093 /nfs/dbraw/zinc/22/90/93/501229093.db2.gz UHOSUDSIAHBSJW-UHFFFAOYSA-N -2 3 352.184 3.430 20 0 FGADHL O=C([O-])c1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1Cl ZINC000485979172 502009851 /nfs/dbraw/zinc/00/98/51/502009851.db2.gz DLEJMZVDHPTXHC-PLNGDYQASA-N -2 3 353.765 3.354 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000479615113 502318884 /nfs/dbraw/zinc/31/88/84/502318884.db2.gz MMKYVTYOLXFKDH-JTQLQIEISA-N -2 3 368.282 3.327 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1C(=O)[O-] ZINC000484802280 502742861 /nfs/dbraw/zinc/74/28/61/502742861.db2.gz JNMBKWLQWHZGGT-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL O=S(=O)(CCc1cccs1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000477502238 502790597 /nfs/dbraw/zinc/79/05/97/502790597.db2.gz VEGROZCFCPZYBE-UHFFFAOYSA-N -2 3 351.371 3.457 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)ccc1[O-] ZINC000506995822 503208476 /nfs/dbraw/zinc/20/84/76/503208476.db2.gz WUYLWXSXVPHWKJ-UHFFFAOYSA-N -2 3 371.418 3.008 20 0 FGADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(-c2cccs2)[n-]n1 ZINC000503080648 503342573 /nfs/dbraw/zinc/34/25/73/503342573.db2.gz YRNVOVHLVBXWQL-UHFFFAOYSA-N -2 3 367.459 3.255 20 0 FGADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(-c2cccs2)n[n-]1 ZINC000503080648 503342576 /nfs/dbraw/zinc/34/25/76/503342576.db2.gz YRNVOVHLVBXWQL-UHFFFAOYSA-N -2 3 367.459 3.255 20 0 FGADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000504304848 503552645 /nfs/dbraw/zinc/55/26/45/503552645.db2.gz PYXACTPWNDSJEM-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1cc(C(=O)N=c2[n-]nc(Cc3cccc(Cl)c3)s2)ccc1[O-] ZINC000500140461 503562732 /nfs/dbraw/zinc/56/27/32/503562732.db2.gz CBQXUBAPGGSKBS-UHFFFAOYSA-N -2 3 359.838 3.471 20 0 FGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC(C)C ZINC000504711075 503607290 /nfs/dbraw/zinc/60/72/90/503607290.db2.gz GKMZXNBCXPQBPC-SOFGYWHQSA-N -2 3 372.421 3.332 20 0 FGADHL COc1ccc(/C=C\c2ncc(C(=O)[O-])s2)c(Br)c1[O-] ZINC000546209836 503671804 /nfs/dbraw/zinc/67/18/04/503671804.db2.gz LWLCOJYVYQXENI-HYXAFXHYSA-N -2 3 356.197 3.488 20 0 FGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)(CC(=O)[O-])C1 ZINC000547567980 504148352 /nfs/dbraw/zinc/14/83/52/504148352.db2.gz JZSAKXOPVFQLEU-MEBBXXQBSA-N -2 3 363.838 3.039 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1F ZINC000547608296 504154595 /nfs/dbraw/zinc/15/45/95/504154595.db2.gz AWPBTPSKJRYKNP-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c1Cl ZINC000548206072 504368059 /nfs/dbraw/zinc/36/80/59/504368059.db2.gz WDAUHNBSTOBABO-NSHDSACASA-N -2 3 354.255 3.079 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c1Cl ZINC000548592504 504487175 /nfs/dbraw/zinc/48/71/75/504487175.db2.gz NNLJAUSRIBUTLK-UHFFFAOYSA-N -2 3 366.266 3.225 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1CC ZINC000539194219 504495493 /nfs/dbraw/zinc/49/54/93/504495493.db2.gz ORCQHEQWPZMTRO-UHFFFAOYSA-N -2 3 363.435 3.076 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1c(C)noc1C ZINC000563067275 505038356 /nfs/dbraw/zinc/03/83/56/505038356.db2.gz CXEXKLSFEYBPIE-CYBMUJFWSA-N -2 3 372.830 3.073 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000566703434 505248609 /nfs/dbraw/zinc/24/86/09/505248609.db2.gz VWQZXZRMFUUDQF-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL COc1ccc(/C=C\c2cc(C(=O)[O-])ccn2)c(Br)c1[O-] ZINC000563902907 505271425 /nfs/dbraw/zinc/27/14/25/505271425.db2.gz RJGADYOGPHDCHT-RQOWECAXSA-N -2 3 350.168 3.427 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000567896255 505570448 /nfs/dbraw/zinc/57/04/48/505570448.db2.gz VISMSEBTTWOMTC-SDDRHHMPSA-N -2 3 373.496 3.092 20 0 FGADHL COC(=O)c1cc(Cl)cc(NC(=O)c2c(F)ccc([O-])c2F)c1[O-] ZINC000588098249 507761188 /nfs/dbraw/zinc/76/11/88/507761188.db2.gz KBNYBMXUQYGCKX-UHFFFAOYSA-N -2 3 357.696 3.068 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000740174431 599777322 /nfs/dbraw/zinc/77/73/22/599777322.db2.gz YMABLQGXHLGLIM-UHFFFAOYSA-N -2 3 369.826 3.379 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)ccc1F ZINC000738477356 600489030 /nfs/dbraw/zinc/48/90/30/600489030.db2.gz YBHPEBZRFHOJNM-UHFFFAOYSA-N -2 3 367.398 3.179 20 0 FGADHL CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000321281548 600791063 /nfs/dbraw/zinc/79/10/63/600791063.db2.gz BKKPNBYVLBMCID-UHFFFAOYSA-N -2 3 373.780 3.281 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1F ZINC000833294663 601229538 /nfs/dbraw/zinc/22/95/38/601229538.db2.gz FDFJUWLMSPXIPV-SDDRHHMPSA-N -2 3 373.421 3.300 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC000392043019 601233559 /nfs/dbraw/zinc/23/35/59/601233559.db2.gz QBAWFNLJOOWHNE-LBPRGKRZSA-N -2 3 361.410 3.300 20 0 FGADHL CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000325296856 601234331 /nfs/dbraw/zinc/23/43/31/601234331.db2.gz YSOZBNGQUALIKP-PWSUYJOCSA-N -2 3 361.410 3.156 20 0 FGADHL CCc1cccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1[O-] ZINC000830259689 601283152 /nfs/dbraw/zinc/28/31/52/601283152.db2.gz CRMWIZGIUWQZGO-UHFFFAOYSA-N -2 3 364.401 3.333 20 0 FGADHL O=C([O-])CCCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000833229531 601745972 /nfs/dbraw/zinc/74/59/72/601745972.db2.gz PHYILFKNBBTWKS-UHFFFAOYSA-N -2 3 362.304 3.359 20 0 FGADHL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000740523856 602646852 /nfs/dbraw/zinc/64/68/52/602646852.db2.gz NPCBYVXIESMFQW-UHFFFAOYSA-N -2 3 350.371 3.057 20 0 FGADHL CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)c([O-])c1 ZINC000827350260 603625483 /nfs/dbraw/zinc/62/54/83/603625483.db2.gz RTYWIMPOQZJXMJ-UHFFFAOYSA-N -2 3 358.350 3.220 20 0 FGADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)c1 ZINC000829474939 603631425 /nfs/dbraw/zinc/63/14/25/603631425.db2.gz VYQIGVDTEDXQET-HJWRWDBZSA-N -2 3 366.370 3.337 20 0 FGADHL C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC[C@@H]1NC(=O)[O-] ZINC000826035619 604223738 /nfs/dbraw/zinc/22/37/38/604223738.db2.gz ZYWXLVISQPUGJK-GUYCJALGSA-N -2 3 370.405 3.303 20 0 FGADHL COC(=O)Nc1ccc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1[O-] ZINC000831209715 604593112 /nfs/dbraw/zinc/59/31/12/604593112.db2.gz IHJVYTIDQNFHIW-SECBINFHSA-N -2 3 363.322 3.088 20 0 FGADHL O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)o1 ZINC000833361434 604676423 /nfs/dbraw/zinc/67/64/23/604676423.db2.gz WWISMAPQWVGSKP-BOPFTXTBSA-N -2 3 359.337 3.455 20 0 FGADHL CC(C)(C(=O)[O-])c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000833419479 604793862 /nfs/dbraw/zinc/79/38/62/604793862.db2.gz UYJMXXLTOIENOB-UHFFFAOYSA-N -2 3 355.316 3.175 20 0 FGADHL C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833568653 604808389 /nfs/dbraw/zinc/80/83/89/604808389.db2.gz GYMFHNUHXQZEHJ-OTYXRUKQSA-N -2 3 366.266 3.305 20 0 FGADHL CN(C(=O)c1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833686959 605178611 /nfs/dbraw/zinc/17/86/11/605178611.db2.gz WOBSVBSLNHLCNZ-AWEZNQCLSA-N -2 3 364.195 3.053 20 0 FGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000037374580 695754727 /nfs/dbraw/zinc/75/47/27/695754727.db2.gz SBWUHRNIVLNYPD-UHFFFAOYSA-N -2 3 354.255 3.307 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c(F)cc1F ZINC000184855642 712677417 /nfs/dbraw/zinc/67/74/17/712677417.db2.gz GACAGDGOGXBWPW-OAHLLOKOSA-N -2 3 367.373 3.019 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000184866627 712677510 /nfs/dbraw/zinc/67/75/10/712677510.db2.gz GHVXUTGIOWFHBJ-UHFFFAOYSA-N -2 3 366.247 3.232 20 0 FGADHL O=C([N-]NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1Cl ZINC000186409222 712718225 /nfs/dbraw/zinc/71/82/25/712718225.db2.gz GZTIUCOMMFBNTA-UHFFFAOYSA-N -2 3 361.131 3.052 20 0 FGADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000262450769 713725853 /nfs/dbraw/zinc/72/58/53/713725853.db2.gz QYFJBAJJNSFCPV-GFCCVEGCSA-N -2 3 373.883 3.156 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@H]2C)cc1C(=O)[O-] ZINC000645974850 718256182 /nfs/dbraw/zinc/25/61/82/718256182.db2.gz DDNVZJGQQKYIMS-ABKXIKBNSA-N -2 3 367.398 3.027 20 0 FGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])C1CCCC1 ZINC000656623811 719423865 /nfs/dbraw/zinc/42/38/65/719423865.db2.gz HQOQMDPRLIFVAC-CQSZACIVSA-N -2 3 367.389 3.358 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2F)c([O-])c1 ZINC000799921818 724113521 /nfs/dbraw/zinc/11/35/21/724113521.db2.gz QKPVEZGMOVJIJG-MDZDMXLPSA-N -2 3 365.382 3.121 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(Cl)sc3c2)c1 ZINC000821097807 729057210 /nfs/dbraw/zinc/05/72/10/729057210.db2.gz ZDKLVVOOBYSPFG-UHFFFAOYSA-N -2 3 370.839 3.465 20 0 FGADHL O=C([O-])C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000908642755 744304028 /nfs/dbraw/zinc/30/40/28/744304028.db2.gz SUKUMYLOELNOGQ-ZDUSSCGKSA-N -2 3 351.399 3.248 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)ccc1OCC(=O)[O-] ZINC000063476464 494057953 /nfs/dbraw/zinc/05/79/53/494057953.db2.gz SRZDOMCGFCUBFJ-UHFFFAOYSA-N -2 3 363.435 3.383 20 0 FGADHL O=C(c1cc(F)ccc1[O-])N1CCC(c2n[n-]c(=S)n2C2CC2)CC1 ZINC000080025620 494572128 /nfs/dbraw/zinc/57/21/28/494572128.db2.gz LDNLHXLDSFHAIB-UHFFFAOYSA-N -2 3 362.430 3.140 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000024432794 494628526 /nfs/dbraw/zinc/62/85/26/494628526.db2.gz GSMFWXPUWDETIW-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000574281386 505737377 /nfs/dbraw/zinc/73/73/77/505737377.db2.gz BOSVHYIMIAUOEY-JTQLQIEISA-N -2 3 365.373 3.400 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1Cl ZINC000110282049 494964900 /nfs/dbraw/zinc/96/49/00/494964900.db2.gz XNQQDOAKPNAOKP-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cccs1 ZINC000129768839 495292777 /nfs/dbraw/zinc/29/27/77/495292777.db2.gz CHWLOTIEZTUCFW-LLVKDONJSA-N -2 3 366.247 3.159 20 0 FGADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000263341534 497762284 /nfs/dbraw/zinc/76/22/84/497762284.db2.gz NNYZGJWLWFEPDQ-ZBFHGGJFSA-N -2 3 369.417 3.154 20 0 FGADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)cc1F ZINC000569903964 506043450 /nfs/dbraw/zinc/04/34/50/506043450.db2.gz OGSHIIDMBRDFGM-VIFPVBQESA-N -2 3 351.346 3.009 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000318083846 498796078 /nfs/dbraw/zinc/79/60/78/498796078.db2.gz LPEVGWFJQLLVNM-RISCZKNCSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCCC1 ZINC000324114500 498825456 /nfs/dbraw/zinc/82/54/56/498825456.db2.gz ONJVTNTWZISPJR-UHFFFAOYSA-N -2 3 365.373 3.161 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000582136900 506141939 /nfs/dbraw/zinc/14/19/39/506141939.db2.gz KJHYCWAQNMEIPZ-SFHVURJKSA-N -2 3 373.405 3.392 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000387973593 499550266 /nfs/dbraw/zinc/55/02/66/499550266.db2.gz MIBHNHBKLNBWAH-ZJUUUORDSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000427241426 500372423 /nfs/dbraw/zinc/37/24/23/500372423.db2.gz JIFQMWACGBVGGN-SNVBAGLBSA-N -2 3 365.373 3.018 20 0 FGADHL O=C([O-])CC[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000424249737 500474775 /nfs/dbraw/zinc/47/47/75/500474775.db2.gz AXRFSBNNQSCUSI-GFCCVEGCSA-N -2 3 355.394 3.301 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000432757462 500558532 /nfs/dbraw/zinc/55/85/32/500558532.db2.gz MBXNWBRSTHJKRL-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1c(F)cc(Br)cc1F ZINC000446009739 501062310 /nfs/dbraw/zinc/06/23/10/501062310.db2.gz HMDMLURRQSNBPW-UHFFFAOYSA-N -2 3 371.063 3.117 20 0 FGADHL O=S(=O)(CCc1ccccc1Br)[N-]c1cc([O-])cc(F)c1 ZINC000461341279 502076406 /nfs/dbraw/zinc/07/64/06/502076406.db2.gz UJCAPQNVGQEVCO-UHFFFAOYSA-N -2 3 374.231 3.278 20 0 FGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000475824536 502301891 /nfs/dbraw/zinc/30/18/91/502301891.db2.gz DVVHNRKWAVVPMY-UHFFFAOYSA-N -2 3 371.798 3.333 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000476479860 502500769 /nfs/dbraw/zinc/50/07/69/502500769.db2.gz HHVCKSHKHXGFFQ-UHFFFAOYSA-N -2 3 367.810 3.350 20 0 FGADHL Cc1nc(C=Cc2ccc(Br)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000470237353 502713254 /nfs/dbraw/zinc/71/32/54/502713254.db2.gz PEQKVUGHJYVFJM-HWKANZROSA-N -2 3 367.174 3.190 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3cccs3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504714019 503607573 /nfs/dbraw/zinc/60/75/73/503607573.db2.gz ZZKATERBHZAREF-SNAWJCMRSA-N -2 3 359.432 3.473 20 0 FGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000517926144 503868097 /nfs/dbraw/zinc/86/80/97/503868097.db2.gz HJGRVWVTWLZVQD-UHFFFAOYSA-N -2 3 373.427 3.482 20 0 FGADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1c(F)ccc([O-])c1F)CC3 ZINC000530370698 503940331 /nfs/dbraw/zinc/94/03/31/503940331.db2.gz VLRZNNGUPKXCJK-VQHVLOKHSA-N -2 3 370.311 3.023 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)sc1Cl ZINC000530435375 503963911 /nfs/dbraw/zinc/96/39/11/503963911.db2.gz XRKRRTHBLBVISZ-XPTSAGLGSA-N -2 3 365.904 3.269 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000547544589 504145883 /nfs/dbraw/zinc/14/58/83/504145883.db2.gz RKISRJBAYUFPQR-UHFFFAOYSA-N -2 3 368.823 3.449 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(F)cc1F ZINC000547936846 504266284 /nfs/dbraw/zinc/26/62/84/504266284.db2.gz NXIQUAVATMZDMV-ZBEGNZNMSA-N -2 3 369.389 3.014 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000548223901 504371155 /nfs/dbraw/zinc/37/11/55/504371155.db2.gz UIEYCWFWUVCFMZ-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000548521738 504475993 /nfs/dbraw/zinc/47/59/93/504475993.db2.gz ZMURASQQFVJGND-NSHDSACASA-N -2 3 363.819 3.035 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000539398964 504557257 /nfs/dbraw/zinc/55/72/57/504557257.db2.gz HDXIFUVQHHDGEI-UHFFFAOYSA-N -2 3 367.398 3.130 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000559797548 504928724 /nfs/dbraw/zinc/92/87/24/504928724.db2.gz JEHXWQUHQSZZOI-GFCCVEGCSA-N -2 3 363.426 3.223 20 0 FGADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000550124097 504971854 /nfs/dbraw/zinc/97/18/54/504971854.db2.gz SWNPANLYHGEQGG-UHFFFAOYSA-N -2 3 364.405 3.322 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000567208655 505394770 /nfs/dbraw/zinc/39/47/70/505394770.db2.gz BPRRZUVRQGAUCP-VIFPVBQESA-N -2 3 359.831 3.316 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000555448608 505434402 /nfs/dbraw/zinc/43/44/02/505434402.db2.gz OIUYYAAJTKGGKO-UHFFFAOYSA-N -2 3 368.823 3.449 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3cnccc32)c1F ZINC000564839873 505534986 /nfs/dbraw/zinc/53/49/86/505534986.db2.gz MATQRBMPLWZBKI-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000564851608 505539834 /nfs/dbraw/zinc/53/98/34/505539834.db2.gz QDLHAVYCCJZTAR-WCQYABFASA-N -2 3 363.838 3.181 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1c(C)cccc1C ZINC000584111053 507158709 /nfs/dbraw/zinc/15/87/09/507158709.db2.gz IXKGZJBAUIJVIH-NSHDSACASA-N -2 3 369.464 3.111 20 0 FGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc(Cl)c2O1 ZINC000605492516 507215454 /nfs/dbraw/zinc/21/54/54/507215454.db2.gz MSWMEJJDQZROPJ-SECBINFHSA-N -2 3 367.810 3.162 20 0 FGADHL O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1[n-]cnc1C(=O)c1ccccc1 ZINC000483276081 516013406 /nfs/dbraw/zinc/01/34/06/516013406.db2.gz KVEBTWQWGXDSCN-UHFFFAOYSA-N -2 3 357.373 3.283 20 0 FGADHL O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000483276081 516013413 /nfs/dbraw/zinc/01/34/13/516013413.db2.gz KVEBTWQWGXDSCN-UHFFFAOYSA-N -2 3 357.373 3.283 20 0 FGADHL Cc1c([O-])ccc2c(CNc3ccc(CNC(=O)[O-])cc3)cc(=O)oc12 ZINC000738304819 600328292 /nfs/dbraw/zinc/32/82/92/600328292.db2.gz GZOHZWNWVHHKQO-UHFFFAOYSA-N -2 3 354.362 3.187 20 0 FGADHL Cc1c([O-])ccc2c(CN3C[C@H](CC(=O)[O-])c4ccccc43)cc(=O)oc12 ZINC000738305335 600960467 /nfs/dbraw/zinc/96/04/67/600960467.db2.gz NFNOTFYOPORNMC-ZDUSSCGKSA-N -2 3 365.385 3.386 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000833026486 601219227 /nfs/dbraw/zinc/21/92/27/601219227.db2.gz FXBONRJJFLUXMC-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000833029007 601222224 /nfs/dbraw/zinc/22/22/24/601222224.db2.gz WMYPOGOEQBOVDA-ZETCQYMHSA-N -2 3 361.778 3.118 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000321088133 601827853 /nfs/dbraw/zinc/82/78/53/601827853.db2.gz JMTXLUWTKFLEMA-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833226684 604372286 /nfs/dbraw/zinc/37/22/86/604372286.db2.gz UUXVPCNMACHKQK-UHFFFAOYSA-N -2 3 364.401 3.035 20 0 FGADHL COc1cc(OC)cc([C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C(=O)[O-])c1 ZINC000832074437 604560244 /nfs/dbraw/zinc/56/02/44/604560244.db2.gz NWUKRBOMJKWWJV-GFCCVEGCSA-N -2 3 374.176 3.321 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1 ZINC000833749769 605150526 /nfs/dbraw/zinc/15/05/26/605150526.db2.gz UWYDUFOAIJAMPI-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc(C(=O)[O-])c1F ZINC000132997097 700833618 /nfs/dbraw/zinc/83/36/18/700833618.db2.gz FRPZOFAQOPWDDQ-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)on1 ZINC000185069515 712683336 /nfs/dbraw/zinc/68/33/36/712683336.db2.gz JICOYOQOAFQHSR-UHFFFAOYSA-N -2 3 372.468 3.125 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000191798894 712843642 /nfs/dbraw/zinc/84/36/42/712843642.db2.gz CGTBGIZAYDZQEU-UHFFFAOYSA-N -2 3 356.787 3.371 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000580069908 714504203 /nfs/dbraw/zinc/50/42/03/714504203.db2.gz FXAOBKXSDKRIEC-JTQLQIEISA-N -2 3 351.877 3.103 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3sc(C)nc3c2)c1 ZINC000781118037 724529973 /nfs/dbraw/zinc/52/99/73/724529973.db2.gz WGLCARAZDCEFPK-UHFFFAOYSA-N -2 3 350.421 3.120 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000761231393 723135143 /nfs/dbraw/zinc/13/51/43/723135143.db2.gz JGNDZFIYQYLTHR-UHFFFAOYSA-N -2 3 352.239 3.303 20 0 FGADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cc1F ZINC000790615199 723159445 /nfs/dbraw/zinc/15/94/45/723159445.db2.gz DSALMHIKAGIGOD-UHFFFAOYSA-N -2 3 363.366 3.008 20 0 FGADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1F ZINC000769892511 723699403 /nfs/dbraw/zinc/69/94/03/723699403.db2.gz WGNTVEVJEPQTIT-UHFFFAOYSA-N -2 3 367.398 3.457 20 0 FGADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788746175 725085275 /nfs/dbraw/zinc/08/52/75/725085275.db2.gz NNCBWGHDLDYATC-UHFFFAOYSA-N -2 3 365.794 3.213 20 0 FGADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788749207 725085547 /nfs/dbraw/zinc/08/55/47/725085547.db2.gz TZUDARSTKARQGR-UHFFFAOYSA-N -2 3 365.794 3.213 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc(CCC(=O)[O-])c2)sc1Cl ZINC000863419165 732959979 /nfs/dbraw/zinc/95/99/79/732959979.db2.gz VVJBSGJNKIQUTO-UHFFFAOYSA-N -2 3 373.883 3.206 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000007053748 493996966 /nfs/dbraw/zinc/99/69/66/493996966.db2.gz XUDOKVXXKBQDDU-UHFFFAOYSA-N -2 3 361.297 3.084 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000037408982 494105503 /nfs/dbraw/zinc/10/55/03/494105503.db2.gz QBZSJYAHRXJYIY-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000013269588 494283378 /nfs/dbraw/zinc/28/33/78/494283378.db2.gz PJXROSKDMOFAJZ-UHFFFAOYSA-N -2 3 351.811 3.328 20 0 FGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(-c3nc(C)cc(=O)[n-]3)c2)c1 ZINC000047328439 494683198 /nfs/dbraw/zinc/68/31/98/494683198.db2.gz CPENRZFJWDKKAV-UHFFFAOYSA-N -2 3 369.446 3.163 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000127902320 495015347 /nfs/dbraw/zinc/01/53/47/495015347.db2.gz JQOJXASTKFQWLA-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL O=C(Cc1ccc([O-])cc1Cl)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000362198122 498474310 /nfs/dbraw/zinc/47/43/10/498474310.db2.gz JYXIFGGKULOXJQ-UHFFFAOYSA-N -2 3 373.836 3.415 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000316054786 498785981 /nfs/dbraw/zinc/78/59/81/498785981.db2.gz XRQGXIQYZLUKQM-JTQLQIEISA-N -2 3 368.282 3.409 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000316184839 498787587 /nfs/dbraw/zinc/78/75/87/498787587.db2.gz ZAAGREUTKCICNA-NXEZZACHSA-N -2 3 351.827 3.037 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000324115166 498826193 /nfs/dbraw/zinc/82/61/93/498826193.db2.gz OOZCKHMRPHLQKL-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325758820 498839003 /nfs/dbraw/zinc/83/90/03/498839003.db2.gz ZDTFQUPHIIKSAI-WDEREUQCSA-N -2 3 367.389 3.263 20 0 FGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000391269679 499557048 /nfs/dbraw/zinc/55/70/48/499557048.db2.gz WTIJQOJBSQPNOW-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000399482657 499568221 /nfs/dbraw/zinc/56/82/21/499568221.db2.gz YEJXHVKGMHZIMQ-GZMMTYOYSA-N -2 3 354.255 3.017 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)CC(F)(F)F ZINC000414393956 499785764 /nfs/dbraw/zinc/78/57/64/499785764.db2.gz OQMNTRQKOSLEDS-VIFPVBQESA-N -2 3 371.352 3.089 20 0 FGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000421148146 499971876 /nfs/dbraw/zinc/97/18/76/499971876.db2.gz GOLATLRKFGXCMV-NSHDSACASA-N -2 3 363.863 3.149 20 0 FGADHL C[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000424271295 500479156 /nfs/dbraw/zinc/47/91/56/500479156.db2.gz YODDKGPTOLSZMW-LIRRHRJNSA-N -2 3 369.417 3.297 20 0 FGADHL O=c1cc(C=Cc2ccc([O-])c(Br)c2)nc(-c2ccncc2)[n-]1 ZINC000436935161 500574471 /nfs/dbraw/zinc/57/44/71/500574471.db2.gz VPTZEYNVIRKQNH-HNQUOIGGSA-N -2 3 370.206 3.470 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000447275424 500584109 /nfs/dbraw/zinc/58/41/09/500584109.db2.gz VAAKTZKAKGNXNP-UHFFFAOYSA-N -2 3 361.419 3.462 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000438779260 500819728 /nfs/dbraw/zinc/81/97/28/500819728.db2.gz YUYSISKHQRADNY-UHFFFAOYSA-N -2 3 359.325 3.290 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1C(=O)[O-] ZINC000436192236 501086564 /nfs/dbraw/zinc/08/65/64/501086564.db2.gz SSFNVMUFZJKNIL-UHFFFAOYSA-N -2 3 371.361 3.306 20 0 FGADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000436474515 501133932 /nfs/dbraw/zinc/13/39/32/501133932.db2.gz CZXMJXDKGNHJGC-UHFFFAOYSA-N -3 3 369.826 3.254 20 0 FGADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436480038 501135396 /nfs/dbraw/zinc/13/53/96/501135396.db2.gz URXVEYMZRJDHKF-UHFFFAOYSA-N -2 3 374.340 3.170 20 0 FGADHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436560971 501157157 /nfs/dbraw/zinc/15/71/57/501157157.db2.gz ADYJGOJWQJOBHV-UHFFFAOYSA-N -2 3 370.718 3.266 20 0 FGADHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436560971 501157159 /nfs/dbraw/zinc/15/71/59/501157159.db2.gz ADYJGOJWQJOBHV-UHFFFAOYSA-N -2 3 370.718 3.266 20 0 FGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000436831388 501218186 /nfs/dbraw/zinc/21/81/86/501218186.db2.gz FXGCVLCSKQHEOW-UHFFFAOYSA-N -2 3 357.410 3.339 20 0 FGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000474309391 501785298 /nfs/dbraw/zinc/78/52/98/501785298.db2.gz NYLYPSAINUEKML-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000471982614 502190718 /nfs/dbraw/zinc/19/07/18/502190718.db2.gz CGZIQTVAHYSLTP-UHFFFAOYSA-N -2 3 366.464 3.182 20 0 FGADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1[O-])N1CCc2ccccc2C1 ZINC000462098574 502306019 /nfs/dbraw/zinc/30/60/19/502306019.db2.gz CXPHOZNBRLDFOE-UHFFFAOYSA-N -2 3 372.368 3.126 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)ccc2O1 ZINC000484537099 502663796 /nfs/dbraw/zinc/66/37/96/502663796.db2.gz HKMBBOICBINSOH-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000489698835 503014010 /nfs/dbraw/zinc/01/40/10/503014010.db2.gz QEAUNNBXQCPCFA-UHFFFAOYSA-N -2 3 371.361 3.251 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000501802521 503082833 /nfs/dbraw/zinc/08/28/33/503082833.db2.gz CJDASUZDWMWUBA-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000501805769 503083150 /nfs/dbraw/zinc/08/31/50/503083150.db2.gz HPNCQUZEOSBKQN-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)c1C ZINC000514639407 503155386 /nfs/dbraw/zinc/15/53/86/503155386.db2.gz ZERSEMDMTKAEJW-UHFFFAOYSA-N -2 3 363.435 3.048 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1C(=O)[O-] ZINC000507907276 503393327 /nfs/dbraw/zinc/39/33/27/503393327.db2.gz FZFPYIXTYJSGNG-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1cc(Br)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504710819 503607553 /nfs/dbraw/zinc/60/75/53/503607553.db2.gz DZJDAKVOKMCUHM-GQCTYLIASA-N -2 3 363.211 3.359 20 0 FGADHL COc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000537372162 503892810 /nfs/dbraw/zinc/89/28/10/503892810.db2.gz YBSARCWFISGFOU-CQSZACIVSA-N -2 3 367.760 3.139 20 0 FGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000543788736 503893883 /nfs/dbraw/zinc/89/38/83/503893883.db2.gz XOXVXEDNEGNYRM-UHFFFAOYSA-N -2 3 357.453 3.124 20 0 FGADHL COc1ccc(CN=c2[n-]nc(CC(C)(C)C)o2)c(Br)c1[O-] ZINC000546913087 503923457 /nfs/dbraw/zinc/92/34/57/503923457.db2.gz YLMJPGZGCUJWEI-UHFFFAOYSA-N -2 3 370.247 3.169 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCCC2)C(=O)[O-])sc1Cl ZINC000530435867 503964232 /nfs/dbraw/zinc/96/42/32/503964232.db2.gz CMZFGZCMSXBIIH-JTQLQIEISA-N -2 3 351.877 3.022 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000547545193 504145232 /nfs/dbraw/zinc/14/52/32/504145232.db2.gz HMLMXJGDPFZEKM-UHFFFAOYSA-N -2 3 355.412 3.188 20 0 FGADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000547874926 504256233 /nfs/dbraw/zinc/25/62/33/504256233.db2.gz QDLKYDOFJZGTRX-CYBMUJFWSA-N -2 3 374.245 3.406 20 0 FGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000547936268 504265815 /nfs/dbraw/zinc/26/58/15/504265815.db2.gz XZOLJDFHFHXLOJ-LBPRGKRZSA-N -2 3 371.817 3.016 20 0 FGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547937787 504265972 /nfs/dbraw/zinc/26/59/72/504265972.db2.gz FPIIVUCHDDDKTN-NSHDSACASA-N -2 3 371.352 3.012 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000548200511 504367862 /nfs/dbraw/zinc/36/78/62/504367862.db2.gz INBUVNUHSXTMJX-UHFFFAOYSA-N -2 3 357.790 3.428 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000539399230 504557374 /nfs/dbraw/zinc/55/73/74/504557374.db2.gz JXQACUBOHULLML-UHFFFAOYSA-N -2 3 361.341 3.306 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000520767927 504577395 /nfs/dbraw/zinc/57/73/95/504577395.db2.gz IPMTUXCVWJXPEV-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000542860186 504638494 /nfs/dbraw/zinc/63/84/94/504638494.db2.gz UAMAQOJBNYCKKN-UHFFFAOYSA-N -2 3 369.389 3.314 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)on1 ZINC000565061186 504784838 /nfs/dbraw/zinc/78/48/38/504784838.db2.gz VPZZINKDHIHFSZ-UHFFFAOYSA-N -2 3 372.468 3.125 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000556703377 504946270 /nfs/dbraw/zinc/94/62/70/504946270.db2.gz ZTSCFFYACAAURK-UHFFFAOYSA-N -2 3 353.415 3.148 20 0 FGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000556773555 504970441 /nfs/dbraw/zinc/97/04/41/504970441.db2.gz FOLSAMDGKRQBBL-JTQLQIEISA-N -2 3 373.780 3.147 20 0 FGADHL O=C(N=c1[n-]nc(C2CC2)s1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000565825853 504999242 /nfs/dbraw/zinc/99/92/42/504999242.db2.gz DQXXXYKMHHVBIG-UHFFFAOYSA-N -2 3 365.414 3.026 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000563081874 505041785 /nfs/dbraw/zinc/04/17/85/505041785.db2.gz RVDDHKCECKLQOT-MRXNPFEDSA-N -2 3 357.403 3.048 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cc2F)nc2ccccc21 ZINC000823387738 607457142 /nfs/dbraw/zinc/45/71/42/607457142.db2.gz WJCKYFXIARXZTP-FPLPWBNLSA-N -2 3 361.336 3.423 20 0 FGADHL O=C([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cc2F)nc2ccccc21 ZINC000823387738 607457144 /nfs/dbraw/zinc/45/71/44/607457144.db2.gz WJCKYFXIARXZTP-FPLPWBNLSA-N -2 3 361.336 3.423 20 0 FGADHL O=C([O-])C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc(Cl)c1 ZINC000833198729 600798807 /nfs/dbraw/zinc/79/88/07/600798807.db2.gz HHVIARDYKAYBJL-HNNXBMFYSA-N -2 3 370.792 3.127 20 0 FGADHL O=C([O-])CCSCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833239564 601188413 /nfs/dbraw/zinc/18/84/13/601188413.db2.gz JBIKNUNFRMGNHN-UHFFFAOYSA-N -2 3 361.419 3.122 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000833323307 601358030 /nfs/dbraw/zinc/35/80/30/601358030.db2.gz ATXBDBHGQBNHQM-UHFFFAOYSA-N -2 3 368.414 3.171 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000825952185 601927053 /nfs/dbraw/zinc/92/70/53/601927053.db2.gz ZVCMHGGGIWSCQZ-UHFFFAOYSA-N -2 3 359.812 3.103 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1NC(=O)[O-] ZINC000739924991 602819313 /nfs/dbraw/zinc/81/93/13/602819313.db2.gz GGWYXGMIQRRWNH-UHFFFAOYSA-N -2 3 368.386 3.342 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c(F)cc1F ZINC000184926680 712678945 /nfs/dbraw/zinc/67/89/45/712678945.db2.gz RYPSEHODORIPJP-INIZCTEOSA-N -2 3 367.373 3.093 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663365 721604750 /nfs/dbraw/zinc/60/47/50/721604750.db2.gz DNLQPWKNQYILMG-UHFFFAOYSA-N -2 3 362.432 3.325 20 0 FGADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1C(=O)[O-] ZINC000790387759 723134547 /nfs/dbraw/zinc/13/45/47/723134547.db2.gz UMNXIZXCHFPXFD-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1C ZINC000109766201 209311355 /nfs/dbraw/zinc/31/13/55/209311355.db2.gz JHBILPLXKDOEDA-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000007709241 494037284 /nfs/dbraw/zinc/03/72/84/494037284.db2.gz YVIFUSDLNWGGRZ-LBPRGKRZSA-N -2 3 357.439 3.181 20 0 FGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000007709241 494037289 /nfs/dbraw/zinc/03/72/89/494037289.db2.gz YVIFUSDLNWGGRZ-LBPRGKRZSA-N -2 3 357.439 3.181 20 0 FGADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000055548571 494358845 /nfs/dbraw/zinc/35/88/45/494358845.db2.gz PAUHFLVLNRSPPW-UHFFFAOYSA-N -3 3 363.391 3.007 20 0 FGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)cc(Cl)c2O1 ZINC000131531981 494648760 /nfs/dbraw/zinc/64/87/60/494648760.db2.gz FDAANJOHIKPAIY-QMMMGPOBSA-N -2 3 357.790 3.309 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000067899568 494687411 /nfs/dbraw/zinc/68/74/11/494687411.db2.gz BYWUPLHFKFFDAS-UHFFFAOYSA-N -2 3 351.449 3.091 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Br ZINC000131157244 495499927 /nfs/dbraw/zinc/49/99/27/495499927.db2.gz VIOJPJAHHMYFOQ-UHFFFAOYSA-N -2 3 374.212 3.158 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2csc3ccccc23)c1 ZINC000571706489 505794967 /nfs/dbraw/zinc/79/49/67/505794967.db2.gz AEDOZEKKAVFRFO-UHFFFAOYSA-N -2 3 353.446 3.140 20 0 FGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])no1 ZINC000580652031 505805838 /nfs/dbraw/zinc/80/58/38/505805838.db2.gz XPGHXDWFBPMWID-UHFFFAOYSA-N -2 3 372.830 3.266 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C)c1CC(=O)[O-] ZINC000181198982 496308311 /nfs/dbraw/zinc/30/83/11/496308311.db2.gz XUNAILGOBZPOSO-UHFFFAOYSA-N -2 3 369.389 3.318 20 0 FGADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)s1 ZINC000181206441 496312199 /nfs/dbraw/zinc/31/21/99/496312199.db2.gz SXVVVLGPVJSVFV-SECBINFHSA-N -2 3 374.871 3.151 20 0 FGADHL O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CCCc2cccc([O-])c21 ZINC000181296000 496343623 /nfs/dbraw/zinc/34/36/23/496343623.db2.gz MKJDLHYMFYAGDG-UHFFFAOYSA-N -2 3 353.353 3.016 20 0 FGADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000172605554 496360537 /nfs/dbraw/zinc/36/05/37/496360537.db2.gz WLVAMQKJSFWVJS-UHFFFAOYSA-N -2 3 359.447 3.338 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1[O-] ZINC000175687674 496500580 /nfs/dbraw/zinc/50/05/80/496500580.db2.gz WERMBZZAIVQOSX-UHFFFAOYSA-N -2 3 354.815 3.113 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000569194992 505874194 /nfs/dbraw/zinc/87/41/94/505874194.db2.gz JIXNHGGDNAPFPW-ZWNOBZJWSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1nc(C=Cc2cn(C)nc2C2CCCCC2)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503721 496942881 /nfs/dbraw/zinc/94/28/81/496942881.db2.gz GMHDAXKNBIXUBV-CSKARUKUSA-N -2 3 370.453 3.047 20 0 FGADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc(OCc2ccccc2)ccc1[O-])C1CC1 ZINC000263544142 497798837 /nfs/dbraw/zinc/79/88/37/497798837.db2.gz FSNPIWCJPNKPGM-ZDUSSCGKSA-N -2 3 355.390 3.049 20 0 FGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000317765902 498794467 /nfs/dbraw/zinc/79/44/67/498794467.db2.gz QQDIIPMFFZECMU-SECBINFHSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c1 ZINC000319989127 498805294 /nfs/dbraw/zinc/80/52/94/498805294.db2.gz GGHRWELUFMRCGD-LLVKDONJSA-N -2 3 373.452 3.101 20 0 FGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000321715598 498813174 /nfs/dbraw/zinc/81/31/74/498813174.db2.gz GTNINBWQZVHBOQ-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000321877179 498814790 /nfs/dbraw/zinc/81/47/90/498814790.db2.gz IQWSECIBXRQXBZ-LBPRGKRZSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1C ZINC000325098084 498833873 /nfs/dbraw/zinc/83/38/73/498833873.db2.gz QHMUSJQIVBUTGP-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1C(=O)[O-] ZINC000326444356 498842721 /nfs/dbraw/zinc/84/27/21/498842721.db2.gz XGDHPHSEJPUPBE-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000327677608 498861698 /nfs/dbraw/zinc/86/16/98/498861698.db2.gz BUTOEBIMQYTOKV-UHFFFAOYSA-N -2 3 363.391 3.001 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(CC)c2)cc1C(=O)[O-] ZINC000327717801 498862905 /nfs/dbraw/zinc/86/29/05/498862905.db2.gz FJLYEDLIRZOBAT-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1C ZINC000383720062 499547176 /nfs/dbraw/zinc/54/71/76/499547176.db2.gz JWTUDXHNMDOXTC-UHFFFAOYSA-N -2 3 361.419 3.127 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC000386369315 499548959 /nfs/dbraw/zinc/54/89/59/499548959.db2.gz YEKFFDOFHLJIRD-UHFFFAOYSA-N -2 3 357.334 3.132 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC000414179638 499766376 /nfs/dbraw/zinc/76/63/76/499766376.db2.gz LJYYASLGAFJUFQ-UHFFFAOYSA-N -2 3 363.435 3.492 20 0 FGADHL COc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431877960 500437702 /nfs/dbraw/zinc/43/77/02/500437702.db2.gz NOUXKEJBDZRXSO-GOSISDBHSA-N -2 3 351.358 3.110 20 0 FGADHL O=C([O-])CC[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000424249741 500474875 /nfs/dbraw/zinc/47/48/75/500474875.db2.gz AXRFSBNNQSCUSI-LBPRGKRZSA-N -2 3 355.394 3.301 20 0 FGADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000424392051 500495856 /nfs/dbraw/zinc/49/58/56/500495856.db2.gz OOGLKMNDMFZVNN-UHFFFAOYSA-N -2 3 371.352 3.014 20 0 FGADHL O=c1cc(C=Cc2ccc([O-])c(Br)c2)nc(-c2ccncc2)[n-]1 ZINC000436935164 500574052 /nfs/dbraw/zinc/57/40/52/500574052.db2.gz VPTZEYNVIRKQNH-IWQZZHSRSA-N -2 3 370.206 3.470 20 0 FGADHL [O-]c1ccc(F)c(CN=c2[n-]nc(Cc3cccc(F)c3)s2)c1F ZINC000436957592 500579489 /nfs/dbraw/zinc/57/94/89/500579489.db2.gz YQYGWEQLAVMZKU-UHFFFAOYSA-N -2 3 351.353 3.286 20 0 FGADHL COc1cc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000443454850 500726425 /nfs/dbraw/zinc/72/64/25/500726425.db2.gz PVEBCGJEHZDMDR-ALCCZGGFSA-N -2 3 358.394 3.004 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000435880022 501040897 /nfs/dbraw/zinc/04/08/97/501040897.db2.gz GXMKOFQJCICKMV-GXTWGEPZSA-N -2 3 369.801 3.012 20 0 FGADHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2cccc(C)c2[O-])[nH][n-]1 ZINC000436622203 501172240 /nfs/dbraw/zinc/17/22/40/501172240.db2.gz BUJDXLLSUJJCDU-UHFFFAOYSA-N -2 3 357.797 3.427 20 0 FGADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1 ZINC000436665466 501182605 /nfs/dbraw/zinc/18/26/05/501182605.db2.gz ONIGGRQXBFJSAT-UHFFFAOYSA-N -2 3 373.789 3.301 20 0 FGADHL COc1cc(/C=C/c2ncc(C(=O)[O-])s2)c(Br)cc1[O-] ZINC000436707195 501192977 /nfs/dbraw/zinc/19/29/77/501192977.db2.gz OIAOSGJXDLSKOC-NSCUHMNNSA-N -2 3 356.197 3.488 20 0 FGADHL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1C ZINC000436848660 501220734 /nfs/dbraw/zinc/22/07/34/501220734.db2.gz WPTOKQKSLPBGPT-UHFFFAOYSA-N -2 3 367.448 3.230 20 0 FGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000475839171 502306794 /nfs/dbraw/zinc/30/67/94/502306794.db2.gz ZEEBGRPQORBMKA-UHFFFAOYSA-N -2 3 367.810 3.432 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000466273018 502521028 /nfs/dbraw/zinc/52/10/28/502521028.db2.gz YTPYHZOQSCSMQX-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3ccccc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000470260267 502718445 /nfs/dbraw/zinc/71/84/45/502718445.db2.gz AKHKYPPJNDIWNN-FPLPWBNLSA-N -2 3 353.403 3.412 20 0 FGADHL Cc1nc(C=Cc2cc(Br)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000470265354 502719786 /nfs/dbraw/zinc/71/97/86/502719786.db2.gz FGKWMYSXZNESOX-IHWYPQMZSA-N -2 3 355.213 3.112 20 0 FGADHL CCc1cc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)ccc1F ZINC000507612967 503332435 /nfs/dbraw/zinc/33/24/35/503332435.db2.gz LVZCDQNXKDNCDK-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC000507645472 503337792 /nfs/dbraw/zinc/33/77/92/503337792.db2.gz RDTUFPPLOWVMQA-UHFFFAOYSA-N -2 3 365.382 3.144 20 0 FGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1 ZINC000516109841 503447827 /nfs/dbraw/zinc/44/78/27/503447827.db2.gz VVRAKSXBLRNFRF-UHFFFAOYSA-N -2 3 370.386 3.373 20 0 FGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504507652 503581721 /nfs/dbraw/zinc/58/17/21/503581721.db2.gz KSNKMVNKELOSCK-UHFFFAOYSA-N -2 3 363.435 3.464 20 0 FGADHL Cc1nc(C=Cc2ncc(-c3ccccc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504723160 503609203 /nfs/dbraw/zinc/60/92/03/503609203.db2.gz YSNFKIPWHZBYSW-FPLPWBNLSA-N -2 3 353.403 3.412 20 0 FGADHL Cc1nc(C=Cc2ccc3c(c2)CCC(C)(C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000504732800 503609958 /nfs/dbraw/zinc/60/99/58/503609958.db2.gz SATYXRVGOMSWSZ-ALCCZGGFSA-N -2 3 354.406 3.392 20 0 FGADHL COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)c(Br)c1[O-] ZINC000546209834 503670973 /nfs/dbraw/zinc/67/09/73/503670973.db2.gz LWLCOJYVYQXENI-HWKANZROSA-N -2 3 356.197 3.488 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000536902966 503755940 /nfs/dbraw/zinc/75/59/40/503755940.db2.gz BFOYLFUPKFLHQL-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@H]2C)c1 ZINC000546957261 503937643 /nfs/dbraw/zinc/93/76/43/503937643.db2.gz APEGVDPOFABVJE-DIFFPNOSSA-N -2 3 363.410 3.044 20 0 FGADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000547874927 504255984 /nfs/dbraw/zinc/25/59/84/504255984.db2.gz QDLKYDOFJZGTRX-ZDUSSCGKSA-N -2 3 374.245 3.406 20 0 FGADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547913930 504262083 /nfs/dbraw/zinc/26/20/83/504262083.db2.gz XRMVMUWGJRZHLF-NXEZZACHSA-N -2 3 351.877 3.103 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)s1 ZINC000547939238 504266063 /nfs/dbraw/zinc/26/60/63/504266063.db2.gz BXOGDFLNCISDJD-GFCCVEGCSA-N -2 3 359.494 3.211 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000548197992 504366748 /nfs/dbraw/zinc/36/67/48/504366748.db2.gz TYBRYZGIBMWHJP-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccccc1F ZINC000548205463 504368134 /nfs/dbraw/zinc/36/81/34/504368134.db2.gz ZLKXUVJJCKXPSU-UHFFFAOYSA-N -2 3 357.790 3.428 20 0 FGADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548266251 504378221 /nfs/dbraw/zinc/37/82/21/504378221.db2.gz QTRKYOGGEUNLPI-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000548269143 504379127 /nfs/dbraw/zinc/37/91/27/504379127.db2.gz NNAOWYUAXOAQFI-LBPRGKRZSA-N -2 3 359.831 3.030 20 0 FGADHL C[C@@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000548565841 504483125 /nfs/dbraw/zinc/48/31/25/504483125.db2.gz RXXIVHGPZNAKMZ-QMTHXVAHSA-N -2 3 371.817 3.219 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c1Cl ZINC000548981749 504643213 /nfs/dbraw/zinc/64/32/13/504643213.db2.gz IDZPYKDPHXDTHN-QPUJVOFHSA-N -2 3 366.266 3.079 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(F)c3F)c1)CCCC2 ZINC000521415241 504731010 /nfs/dbraw/zinc/73/10/10/504731010.db2.gz QWPPYBGUAMUHIJ-UHFFFAOYSA-N -2 3 367.373 3.343 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000556799924 504977926 /nfs/dbraw/zinc/97/79/26/504977926.db2.gz TYOLLPSXXPZKHW-UHFFFAOYSA-N -2 3 366.439 3.175 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1F ZINC000560076441 504985963 /nfs/dbraw/zinc/98/59/63/504985963.db2.gz OQFBADWFVVENCY-GOSISDBHSA-N -2 3 373.405 3.392 20 0 FGADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000551996934 505365861 /nfs/dbraw/zinc/36/58/61/505365861.db2.gz ALTSTNDRQJMUSJ-AWEZNQCLSA-N -2 3 353.827 3.025 20 0 FGADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1c(F)cc(C(F)(F)F)cc1F ZINC000558485610 505405381 /nfs/dbraw/zinc/40/53/81/505405381.db2.gz GKCLBGUPJPHNJB-UHFFFAOYSA-N -2 3 369.253 3.416 20 0 FGADHL CCC[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000564767150 505514140 /nfs/dbraw/zinc/51/41/40/505514140.db2.gz PGCRDHBIJOZGHT-SECBINFHSA-N -2 3 361.872 3.334 20 0 FGADHL CO[C@@H](C)c1nc(=NC(=O)c2cn[n-]c2-c2cc3ccccc3o2)s[n-]1 ZINC000559057066 505559239 /nfs/dbraw/zinc/55/92/39/505559239.db2.gz ZYDGPONTBCLMME-VIFPVBQESA-N -2 3 369.406 3.056 20 0 FGADHL CO[C@@H](C)c1nc(=NC(=O)c2c[n-]nc2-c2cc3ccccc3o2)s[n-]1 ZINC000559057066 505559242 /nfs/dbraw/zinc/55/92/42/505559242.db2.gz ZYDGPONTBCLMME-VIFPVBQESA-N -2 3 369.406 3.056 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)c1 ZINC000584367236 507305938 /nfs/dbraw/zinc/30/59/38/507305938.db2.gz IIDDNBPUSXBXRT-LLVKDONJSA-N -2 3 373.452 3.101 20 0 FGADHL Cc1cc(F)cc2c([O-])c(C(=O)N=c3cc(C4(C)CCCC4)o[n-]3)cnc12 ZINC000584390950 507318408 /nfs/dbraw/zinc/31/84/08/507318408.db2.gz ZXIXZGHRUFENBT-UHFFFAOYSA-N -2 3 369.396 3.470 20 0 FGADHL Cc1cc(F)cc2c(=O)c(C(=O)N=c3cc(C4(C)CCCC4)o[n-]3)c[n-]c12 ZINC000584390950 507318412 /nfs/dbraw/zinc/31/84/12/507318412.db2.gz ZXIXZGHRUFENBT-UHFFFAOYSA-N -2 3 369.396 3.470 20 0 FGADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000738401945 600105326 /nfs/dbraw/zinc/10/53/26/600105326.db2.gz LOCBTVPKYYWQGS-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL O=C([O-])Cc1nc([N-]C(=O)c2sc3cc(Cl)ccc3c2Cl)n[nH]1 ZINC000739899374 600181056 /nfs/dbraw/zinc/18/10/56/600181056.db2.gz LXVPVVXEWCJFFJ-UHFFFAOYSA-N -2 3 371.205 3.206 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cnc1Cl ZINC000738477035 600377515 /nfs/dbraw/zinc/37/75/15/600377515.db2.gz AERHHZLKHBSKSE-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1C(=O)[O-] ZINC000326581807 600980742 /nfs/dbraw/zinc/98/07/42/600980742.db2.gz HMWPKIJZESCHHD-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL CC(C)CC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC000826826541 601802488 /nfs/dbraw/zinc/80/24/88/601802488.db2.gz MZTBPJDWLMZQTR-UHFFFAOYSA-N -2 3 361.410 3.158 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](NC(=O)[O-])[C@H](C)CC)c2)n1 ZINC000739536938 602128562 /nfs/dbraw/zinc/12/85/62/602128562.db2.gz WUACDIOOWSNJRW-BZNIZROVSA-N -2 3 372.425 3.032 20 0 FGADHL CCCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739364998 602546438 /nfs/dbraw/zinc/54/64/38/602546438.db2.gz SXQYDUYZNRKLRK-GFCCVEGCSA-N -2 3 370.409 3.046 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C ZINC000739856983 602645740 /nfs/dbraw/zinc/64/57/40/602645740.db2.gz PCIDAXUTWWVTAT-UHFFFAOYSA-N -2 3 350.396 3.203 20 0 FGADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c([O-])cccc2Cl)CC1 ZINC000144563089 704886881 /nfs/dbraw/zinc/88/68/81/704886881.db2.gz QNCLHNMKMDLUJN-UHFFFAOYSA-N -2 3 359.809 3.486 20 0 FGADHL COc1cc(C=NNc2ccccc2C(=O)[O-])cc(Br)c1[O-] ZINC000254289832 713675569 /nfs/dbraw/zinc/67/55/69/713675569.db2.gz RGVVOMRWXOPHML-UHFFFAOYSA-N -2 3 365.183 3.308 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1C ZINC000793430980 723437160 /nfs/dbraw/zinc/43/71/60/723437160.db2.gz VJLYNRUMPWLWHQ-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768886126 723671051 /nfs/dbraw/zinc/67/10/51/723671051.db2.gz AYVWSNFHCWVZQZ-FPLPWBNLSA-N -2 3 367.810 3.459 20 0 FGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450454 729407932 /nfs/dbraw/zinc/40/79/32/729407932.db2.gz NGLHEGFEQQOCQV-UHFFFAOYSA-N -2 3 373.587 3.113 20 0 FGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450454 729407933 /nfs/dbraw/zinc/40/79/33/729407933.db2.gz NGLHEGFEQQOCQV-UHFFFAOYSA-N -2 3 373.587 3.113 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)CC2(F)CCC2)cc1C(F)(F)F ZINC000905985670 744077359 /nfs/dbraw/zinc/07/73/59/744077359.db2.gz DCNPRVDHCOYBEB-UHFFFAOYSA-N -2 3 355.309 3.038 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)c1 ZINC000102841799 257351663 /nfs/dbraw/zinc/35/16/63/257351663.db2.gz WCDXPOVIUZQOBI-UHFFFAOYSA-N -2 3 369.446 3.163 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1C(=O)[O-] ZINC000048382789 493823680 /nfs/dbraw/zinc/82/36/80/493823680.db2.gz NSFQGBYEMAILNT-UHFFFAOYSA-N -2 3 372.402 3.457 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1C(=O)[O-] ZINC000052025612 494000577 /nfs/dbraw/zinc/00/05/77/494000577.db2.gz ATHARVVVJHEFKA-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(OCC(=O)[O-])c1C ZINC000116630675 494828673 /nfs/dbraw/zinc/82/86/73/494828673.db2.gz ZNKBDZJRHFYTFD-UHFFFAOYSA-N -2 3 363.435 3.184 20 0 FGADHL CC[C@@](C)([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1nc(C)cs1 ZINC000577846049 505803327 /nfs/dbraw/zinc/80/33/27/505803327.db2.gz VKZBOZUAKINYRU-CQSZACIVSA-N -2 3 374.509 3.123 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)c1CC(=O)[O-] ZINC000181198917 496308607 /nfs/dbraw/zinc/30/86/07/496308607.db2.gz AHHJYWRHXACPJV-UHFFFAOYSA-N -2 3 369.389 3.318 20 0 FGADHL C[C@@H]1CCc2c(sc3[n-]c(COc4ccccc4C(=O)[O-])nc(=O)c23)C1 ZINC000194399198 497654142 /nfs/dbraw/zinc/65/41/42/497654142.db2.gz XYKSVLZENGNDNL-SNVBAGLBSA-N -2 3 370.430 3.387 20 0 FGADHL CCc1nc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)ccc2o1 ZINC000569881662 506037440 /nfs/dbraw/zinc/03/74/40/506037440.db2.gz QJWCOSUHZLDNOL-UHFFFAOYSA-N -2 3 364.354 3.028 20 0 FGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000317783334 498793478 /nfs/dbraw/zinc/79/34/78/498793478.db2.gz CZGCAVKLDNEJDX-JTQLQIEISA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c1 ZINC000319989129 498804829 /nfs/dbraw/zinc/80/48/29/498804829.db2.gz GGHRWELUFMRCGD-NSHDSACASA-N -2 3 373.452 3.101 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000325957992 498839703 /nfs/dbraw/zinc/83/97/03/498839703.db2.gz ORRMTHINTGTEDR-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000391778146 499557289 /nfs/dbraw/zinc/55/72/89/499557289.db2.gz VAJPJBYMZUMPDZ-PWSUYJOCSA-N -2 3 365.373 3.017 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(Cl)cc1F ZINC000391977207 499557813 /nfs/dbraw/zinc/55/78/13/499557813.db2.gz MSSBFQSMJDMKGN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)ccc1C(=O)[O-] ZINC000392993282 499559665 /nfs/dbraw/zinc/55/96/65/499559665.db2.gz ZQASQGVKKNQCKW-UHFFFAOYSA-N -2 3 363.391 3.001 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000399482663 499568283 /nfs/dbraw/zinc/56/82/83/499568283.db2.gz YEJXHVKGMHZIMQ-KWQFWETISA-N -2 3 354.255 3.017 20 0 FGADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000421147873 499972387 /nfs/dbraw/zinc/97/23/87/499972387.db2.gz GEDIPMNBDBLSPD-HNNXBMFYSA-N -2 3 369.870 3.353 20 0 FGADHL COCc1cc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc(C(=O)[O-])c1 ZINC000427697680 500421646 /nfs/dbraw/zinc/42/16/46/500421646.db2.gz NXILMPGWZBKAJQ-UHFFFAOYSA-N -2 3 355.350 3.075 20 0 FGADHL COCc1cc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc(C(=O)[O-])c1 ZINC000427697680 500421647 /nfs/dbraw/zinc/42/16/47/500421647.db2.gz NXILMPGWZBKAJQ-UHFFFAOYSA-N -2 3 355.350 3.075 20 0 FGADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478062 501134605 /nfs/dbraw/zinc/13/46/05/501134605.db2.gz ODMAPHXAWGQKCY-UHFFFAOYSA-N -2 3 371.287 3.181 20 0 FGADHL Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478062 501134607 /nfs/dbraw/zinc/13/46/07/501134607.db2.gz ODMAPHXAWGQKCY-UHFFFAOYSA-N -2 3 371.287 3.181 20 0 FGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000471951459 502181853 /nfs/dbraw/zinc/18/18/53/502181853.db2.gz JXYKNKNELLWHPL-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000477509285 502792997 /nfs/dbraw/zinc/79/29/97/502792997.db2.gz SJNCFALXBYWGMI-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL CCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1CCC(C)C ZINC000491598900 503322878 /nfs/dbraw/zinc/32/28/78/503322878.db2.gz LSOPKJFKORNVPV-UHFFFAOYSA-N -2 3 367.471 3.007 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc(C)c1F ZINC000504702262 503607009 /nfs/dbraw/zinc/60/70/09/503607009.db2.gz FMRLISPMDGYPKD-UHFFFAOYSA-N -2 3 367.398 3.097 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3cccs3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504714018 503607425 /nfs/dbraw/zinc/60/74/25/503607425.db2.gz ZZKATERBHZAREF-PLNGDYQASA-N -2 3 359.432 3.473 20 0 FGADHL Cc1nc(C=Cc2ccc(Br)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722774 503608016 /nfs/dbraw/zinc/60/80/16/503608016.db2.gz WYENFYZMYUVAOT-HWKANZROSA-N -2 3 355.213 3.112 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)c1nc(C)cs1 ZINC000546251410 503687129 /nfs/dbraw/zinc/68/71/29/503687129.db2.gz QBXXMMJDJXYTNR-LBPRGKRZSA-N -2 3 372.443 3.027 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000540501577 503796114 /nfs/dbraw/zinc/79/61/14/503796114.db2.gz OUMNQBMRHCUPLG-UHFFFAOYSA-N -2 3 351.424 3.127 20 0 FGADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000543578583 503818473 /nfs/dbraw/zinc/81/84/73/503818473.db2.gz ONZXSEHAHXUPTC-UHFFFAOYSA-N -2 3 371.324 3.038 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000537197442 503838474 /nfs/dbraw/zinc/83/84/74/503838474.db2.gz FZLHAWWCEBCEHH-UHFFFAOYSA-N -2 3 362.432 3.325 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000530368991 503939376 /nfs/dbraw/zinc/93/93/76/503939376.db2.gz CGFZNRIQYFVKFL-BXUZGUMPSA-N -2 3 369.439 3.200 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000538010731 504112157 /nfs/dbraw/zinc/11/21/57/504112157.db2.gz MWMVRCDRLVZDMV-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)(CC(=O)[O-])C1 ZINC000547571159 504150106 /nfs/dbraw/zinc/15/01/06/504150106.db2.gz RFOPZRBFKVHAAR-BMIGLBTASA-N -2 3 363.838 3.039 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)c1 ZINC000547577022 504150531 /nfs/dbraw/zinc/15/05/31/504150531.db2.gz ZWRWTVGMCLVCMV-UHFFFAOYSA-N -2 3 371.361 3.171 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccsc1 ZINC000547608937 504155171 /nfs/dbraw/zinc/15/51/71/504155171.db2.gz DOWCWGXQUYEYDD-JTQLQIEISA-N -2 3 366.247 3.159 20 0 FGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000538295868 504195099 /nfs/dbraw/zinc/19/50/99/504195099.db2.gz GFBCJSQLHKQMRG-LBPRGKRZSA-N -2 3 351.424 3.379 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547896568 504259167 /nfs/dbraw/zinc/25/91/67/504259167.db2.gz IHUPLTMSOAJGAS-BBRMVZONSA-N -2 3 371.842 3.316 20 0 FGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548542370 504480329 /nfs/dbraw/zinc/48/03/29/504480329.db2.gz HFSNYDZXNUSDIH-SECBINFHSA-N -2 3 361.872 3.334 20 0 FGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cccc(Cl)c2F)(CC(=O)[O-])C1 ZINC000548555910 504482350 /nfs/dbraw/zinc/48/23/50/504482350.db2.gz RKQGXTJRIWNZJU-ZUZCIYMTSA-N -2 3 363.838 3.039 20 0 FGADHL O=C(Nc1cccc([O-])c1F)c1ccc(I)c([O-])c1 ZINC000545502801 504508052 /nfs/dbraw/zinc/50/80/52/504508052.db2.gz NMXZVKHWEYOLOQ-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(C(F)(F)F)cc1F ZINC000548686088 504527788 /nfs/dbraw/zinc/52/77/88/504527788.db2.gz SRUSZHXNXOZAOR-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000536308812 504693145 /nfs/dbraw/zinc/69/31/45/504693145.db2.gz RMNMSEYSQGZQCB-LBPRGKRZSA-N -2 3 359.831 3.172 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1 ZINC000553149801 504838569 /nfs/dbraw/zinc/83/85/69/504838569.db2.gz OQMQPOCPJKTTPB-UHFFFAOYSA-N -2 3 363.313 3.100 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)c1 ZINC000554690158 505241488 /nfs/dbraw/zinc/24/14/88/505241488.db2.gz QJKOXCCZCRXKOK-UHFFFAOYSA-N -2 3 372.402 3.389 20 0 FGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC000562227259 505544797 /nfs/dbraw/zinc/54/47/97/505544797.db2.gz WOTZZYUKAIXGCF-UHFFFAOYSA-N -2 3 360.218 3.421 20 0 FGADHL CC[C@H](CC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000584037951 507116368 /nfs/dbraw/zinc/11/63/68/507116368.db2.gz NQGJPCRTAQWCBX-SNVBAGLBSA-N -2 3 359.831 3.174 20 0 FGADHL CCN(C(=O)c1c([O-])cc(F)cc1F)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155200 599455626 /nfs/dbraw/zinc/45/56/26/599455626.db2.gz XJODGHWIAHZYNE-JTQLQIEISA-N -2 3 373.363 3.074 20 0 FGADHL CCN(C(=O)c1c([O-])cc(F)cc1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155200 599455629 /nfs/dbraw/zinc/45/56/29/599455629.db2.gz XJODGHWIAHZYNE-JTQLQIEISA-N -2 3 373.363 3.074 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000740175124 599778607 /nfs/dbraw/zinc/77/86/07/599778607.db2.gz GMBRYLGVOIWGMR-CABCVRRESA-N -2 3 363.435 3.058 20 0 FGADHL CCOc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1OCC(=O)[O-] ZINC000737185285 599989206 /nfs/dbraw/zinc/98/92/06/599989206.db2.gz JCEFFYSYBQJSNV-UHFFFAOYSA-N -2 3 365.769 3.160 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738064232 600100963 /nfs/dbraw/zinc/10/09/63/600100963.db2.gz YPBJRHZNHJFGKE-UHFFFAOYSA-N -2 3 354.359 3.033 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccs3)CCCCC2)o1 ZINC000740175112 600587936 /nfs/dbraw/zinc/58/79/36/600587936.db2.gz GDVIRNZWYYPJRZ-UHFFFAOYSA-N -2 3 369.464 3.220 20 0 FGADHL Cc1nc(C2CCCC2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000832995492 600890386 /nfs/dbraw/zinc/89/03/86/600890386.db2.gz FSFDDKGAHNSBBG-UHFFFAOYSA-N -2 3 366.468 3.230 20 0 FGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000828809953 601268085 /nfs/dbraw/zinc/26/80/85/601268085.db2.gz AJHQBKHEBZTSKV-UHFFFAOYSA-N -2 3 354.255 3.305 20 0 FGADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc2[nH]1 ZINC000829441810 601486119 /nfs/dbraw/zinc/48/61/19/601486119.db2.gz YTPXGJCYAWDZDU-UHFFFAOYSA-N -2 3 373.434 3.405 20 0 FGADHL CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000827144130 602009971 /nfs/dbraw/zinc/00/99/71/602009971.db2.gz FLLVJBMKNOZLRO-UHFFFAOYSA-N -2 3 374.871 3.097 20 0 FGADHL CN(C(=O)[O-])C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000737932363 602547921 /nfs/dbraw/zinc/54/79/21/602547921.db2.gz FPUJBGFIZPPSKC-UHFFFAOYSA-N -2 3 368.433 3.197 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740076708 602646510 /nfs/dbraw/zinc/64/65/10/602646510.db2.gz BUGZVVZDNWVLPH-UHFFFAOYSA-N -2 3 364.398 3.366 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(NC(=O)[O-])cc3)c2)n1 ZINC000829894189 603473726 /nfs/dbraw/zinc/47/37/26/603473726.db2.gz OHKYBQWCEREQLO-UHFFFAOYSA-N -2 3 365.345 3.467 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000832956067 604807537 /nfs/dbraw/zinc/80/75/37/604807537.db2.gz ZZTRQPZTDQMZOM-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000752860667 605118617 /nfs/dbraw/zinc/11/86/17/605118617.db2.gz SNEIIRQGVKYALM-UHFFFAOYSA-N -2 3 370.377 3.284 20 0 FGADHL O=C([O-])Nc1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000834266211 605824148 /nfs/dbraw/zinc/82/41/48/605824148.db2.gz LQDPFKBUETXTRX-UHFFFAOYSA-N -2 3 365.183 3.426 20 0 FGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cccc(Br)c1F ZINC000192211234 712854172 /nfs/dbraw/zinc/85/41/72/712854172.db2.gz LGDFALZMIGSGPJ-UHFFFAOYSA-N -2 3 361.174 3.288 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1Cl ZINC000681576471 722212076 /nfs/dbraw/zinc/21/20/76/722212076.db2.gz LFMWMKXMQQRSCN-UHFFFAOYSA-N -2 3 354.255 3.081 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1 ZINC000761265294 723138484 /nfs/dbraw/zinc/13/84/84/723138484.db2.gz VAXOELDPKAUGFI-VIFPVBQESA-N -2 3 364.250 3.326 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000766586870 723582620 /nfs/dbraw/zinc/58/26/20/723582620.db2.gz XPBJQECXNBYIJF-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1F ZINC000776660703 724167940 /nfs/dbraw/zinc/16/79/40/724167940.db2.gz NGTWEXALQMCLQL-CQSZACIVSA-N -2 3 355.287 3.389 20 0 FGADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909494637 744369670 /nfs/dbraw/zinc/36/96/70/744369670.db2.gz CXLCXPVQTWQTJD-CQSZACIVSA-N -2 3 351.418 3.203 20 0 FGADHL O=C([O-])c1cnc(C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)s1 ZINC000910213162 744429260 /nfs/dbraw/zinc/42/92/60/744429260.db2.gz WZZWMDRNTZOMBF-UHFFFAOYSA-N -2 3 366.826 3.220 20 0 FGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)c1)CCC2 ZINC000055554870 494359478 /nfs/dbraw/zinc/35/94/78/494359478.db2.gz VEUYZUSJBMRMGR-UHFFFAOYSA-N -2 3 371.336 3.092 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(C(F)(F)F)ccc1F ZINC000131537857 494651023 /nfs/dbraw/zinc/65/10/23/494651023.db2.gz ONSUQXGEZJDKHO-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)n1 ZINC000094015715 494939794 /nfs/dbraw/zinc/93/97/94/494939794.db2.gz MJVWNPGZWXHBLQ-UHFFFAOYSA-N -2 3 353.353 3.096 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000124924064 495364595 /nfs/dbraw/zinc/36/45/95/495364595.db2.gz XDJMDHFPRCVRSV-UHFFFAOYSA-N -2 3 366.414 3.074 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])sc1Cl ZINC000231807332 497110437 /nfs/dbraw/zinc/11/04/37/497110437.db2.gz REDGAVYQNKWIQX-SCZZXKLOSA-N -2 3 353.893 3.268 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000261771951 497448361 /nfs/dbraw/zinc/44/83/61/497448361.db2.gz ZGTQCCHUWDJCFW-CQSZACIVSA-N -2 3 353.465 3.150 20 0 FGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000262465252 497560738 /nfs/dbraw/zinc/56/07/38/497560738.db2.gz SXGJJAYIJWEBQB-UHFFFAOYSA-N -2 3 373.883 3.476 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000581285921 505951678 /nfs/dbraw/zinc/95/16/78/505951678.db2.gz UPTRKIINHUCKML-SNVBAGLBSA-N -2 3 357.403 3.192 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000297065859 498310705 /nfs/dbraw/zinc/31/07/05/498310705.db2.gz WNUYFTVXXMQJGC-SNVBAGLBSA-N -2 3 365.423 3.284 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000319734750 498804679 /nfs/dbraw/zinc/80/46/79/498804679.db2.gz XBIAJSPCTICVEH-JTQLQIEISA-N -2 3 363.863 3.150 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000321079215 498810436 /nfs/dbraw/zinc/81/04/36/498810436.db2.gz DILMHYAPYPOFJA-UHFFFAOYSA-N -2 3 355.799 3.238 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000323688390 498823442 /nfs/dbraw/zinc/82/34/42/498823442.db2.gz BGXLKXADNKBFNB-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000323924911 498824068 /nfs/dbraw/zinc/82/40/68/498824068.db2.gz NWHVTBPLGNDFCJ-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000325577817 498837774 /nfs/dbraw/zinc/83/77/74/498837774.db2.gz ZUOMDKHOCNBJAP-UHFFFAOYSA-N -2 3 369.826 3.410 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000327980164 498865018 /nfs/dbraw/zinc/86/50/18/498865018.db2.gz YRNNMVBUKLYJOY-UHFFFAOYSA-N -2 3 358.375 3.149 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(F)c1 ZINC000373077235 499450112 /nfs/dbraw/zinc/45/01/12/499450112.db2.gz DNVXNHCRKLAAFI-UHFFFAOYSA-N -2 3 373.409 3.406 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000383736408 499547027 /nfs/dbraw/zinc/54/70/27/499547027.db2.gz MYZSWNOYXHWHIC-UHFFFAOYSA-N -2 3 361.419 3.127 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)CCC(=O)[O-] ZINC000387819662 499550330 /nfs/dbraw/zinc/55/03/30/499550330.db2.gz UXQROSPHPKBCAL-UHFFFAOYSA-N -2 3 351.827 3.039 20 0 FGADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000391289430 499556977 /nfs/dbraw/zinc/55/69/77/499556977.db2.gz RHXLBIAEQCWPJP-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CCC(C)(C)C)C(=O)[O-])nc2)n1 ZINC000416441413 500044873 /nfs/dbraw/zinc/04/48/73/500044873.db2.gz QYVOZOPHOJMDAL-AWEZNQCLSA-N -2 3 358.442 3.498 20 0 FGADHL COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)cc(Br)c1[O-] ZINC000426820298 500324852 /nfs/dbraw/zinc/32/48/52/500324852.db2.gz YGICTUDRXBEDJL-GFCCVEGCSA-N -2 3 372.240 3.140 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)ccc1[O-] ZINC000442229411 500572855 /nfs/dbraw/zinc/57/28/55/500572855.db2.gz LRZYEUWERPVSMY-UHFFFAOYSA-N -2 3 368.842 3.422 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1F ZINC000471124093 501927898 /nfs/dbraw/zinc/92/78/98/501927898.db2.gz IWKZMIJLBOKLDD-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL O=C(CCCc1ccc([O-])c(F)c1)N=c1nc(-c2ccccc2)[n-]s1 ZINC000468623399 502128252 /nfs/dbraw/zinc/12/82/52/502128252.db2.gz WNHIYNJYTOSMDJ-UHFFFAOYSA-N -2 3 357.410 3.433 20 0 FGADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000466290848 502527905 /nfs/dbraw/zinc/52/79/05/502527905.db2.gz SJXNRBYPMGYYHD-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL O=C(N=c1ccc([O-])n[n-]1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000484456675 502645357 /nfs/dbraw/zinc/64/53/57/502645357.db2.gz IXPCXZGOGKGZJC-UHFFFAOYSA-N -2 3 355.781 3.089 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498019758 503089117 /nfs/dbraw/zinc/08/91/17/503089117.db2.gz DEHJFUYDMUSJTC-UHFFFAOYSA-N -2 3 366.414 3.453 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000511112306 503258981 /nfs/dbraw/zinc/25/89/81/503258981.db2.gz YWAMQUFILXCWDA-UHFFFAOYSA-N -2 3 363.435 3.419 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(F)(F)F ZINC000533627257 503906212 /nfs/dbraw/zinc/90/62/12/503906212.db2.gz OHTQCLOTNPRUPJ-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1C ZINC000547566429 504149124 /nfs/dbraw/zinc/14/91/24/504149124.db2.gz VXYVXGKFXLVITJ-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000547933520 504265315 /nfs/dbraw/zinc/26/53/15/504265315.db2.gz MLFNOVXAYZKGHE-UHFFFAOYSA-N -2 3 371.361 3.251 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000547936842 504265763 /nfs/dbraw/zinc/26/57/63/504265763.db2.gz NXIQUAVATMZDMV-BZNIZROVSA-N -2 3 369.389 3.014 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccsc1 ZINC000548193592 504365687 /nfs/dbraw/zinc/36/56/87/504365687.db2.gz WSFYIQOPMUPOGC-LLVKDONJSA-N -2 3 363.819 3.035 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000548243587 504373843 /nfs/dbraw/zinc/37/38/43/504373843.db2.gz AFADTVKENBOSHL-CQSZACIVSA-N -2 3 371.817 3.282 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000548262548 504377945 /nfs/dbraw/zinc/37/79/45/504377945.db2.gz JAOXDKVXNPJRCX-SECBINFHSA-N -2 3 361.872 3.334 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1C(=O)[O-] ZINC000542234222 504415726 /nfs/dbraw/zinc/41/57/26/504415726.db2.gz RIYDBQKVWCSYPG-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(SC)c(F)c2)c1 ZINC000542235690 504416855 /nfs/dbraw/zinc/41/68/55/504416855.db2.gz JXXCXWXGYKAPGY-UHFFFAOYSA-N -2 3 361.391 3.202 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2OC)c1 ZINC000539409329 504562198 /nfs/dbraw/zinc/56/21/98/504562198.db2.gz QAYUZTYQMFYFBE-UHFFFAOYSA-N -2 3 357.815 3.172 20 0 FGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)no1 ZINC000563224345 505080959 /nfs/dbraw/zinc/08/09/59/505080959.db2.gz AGVBJAFFKKUWGF-UHFFFAOYSA-N -2 3 372.830 3.266 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000566781774 505271052 /nfs/dbraw/zinc/27/10/52/505271052.db2.gz OKAFXQDHTGBOPV-QMMMGPOBSA-N -2 3 353.774 3.215 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c(F)c1 ZINC000555121253 505356163 /nfs/dbraw/zinc/35/61/63/505356163.db2.gz VFYQGJAKEYGROQ-UHFFFAOYSA-N -2 3 365.407 3.217 20 0 FGADHL O=S(=O)(CCc1cccs1)[N-]c1ccc(Br)cc1[O-] ZINC000567092037 505361715 /nfs/dbraw/zinc/36/17/15/505361715.db2.gz VWHAYOJREQRIGO-UHFFFAOYSA-N -2 3 362.270 3.201 20 0 FGADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-])C1CC1 ZINC000567369445 505443721 /nfs/dbraw/zinc/44/37/21/505443721.db2.gz QIPSVVHLKYNTCS-ZUZCIYMTSA-N -2 3 367.854 3.271 20 0 FGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000555705138 505494229 /nfs/dbraw/zinc/49/42/29/505494229.db2.gz COYPHSAUPUEIMB-BDAKNGLRSA-N -2 3 371.402 3.079 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000555954426 505548036 /nfs/dbraw/zinc/54/80/36/505548036.db2.gz UKZQTEQDFXBUQZ-SNVBAGLBSA-N -2 3 353.893 3.351 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c(C)c1 ZINC000599926355 506716667 /nfs/dbraw/zinc/71/66/67/506716667.db2.gz UPIQGNXHGMELGI-UHFFFAOYSA-N -2 3 374.418 3.374 20 0 FGADHL Cc1ccc(CS(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(F)c1 ZINC000583729906 506939403 /nfs/dbraw/zinc/93/94/03/506939403.db2.gz FNHPQAVZWLYRJM-UHFFFAOYSA-N -2 3 359.325 3.052 20 0 FGADHL O=C([O-])C1CCC(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000738483658 600105111 /nfs/dbraw/zinc/10/51/11/600105111.db2.gz QVSZJGHYZRYNII-UHFFFAOYSA-N -2 3 353.418 3.356 20 0 FGADHL CC[C@@]([N-]C(=O)C(F)(F)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC000736907417 600128453 /nfs/dbraw/zinc/12/84/53/600128453.db2.gz RWJWMTQAOPYPEI-KRWDZBQOSA-N -2 3 351.324 3.424 20 0 FGADHL CCc1cc(=O)[n-]c(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000830224250 602235651 /nfs/dbraw/zinc/23/56/51/602235651.db2.gz JIZVJEGIFCMRPB-HNNXBMFYSA-N -2 3 370.236 3.309 20 0 FGADHL O=C([O-])c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833145417 602239346 /nfs/dbraw/zinc/23/93/46/602239346.db2.gz LYOYSPHAMKHXQT-UHFFFAOYSA-N -2 3 365.183 3.175 20 0 FGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832935533 602321533 /nfs/dbraw/zinc/32/15/33/602321533.db2.gz RJVCENMVHZIRPI-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C ZINC000739846958 602645658 /nfs/dbraw/zinc/64/56/58/602645658.db2.gz VXHZUVQMFQGGMU-UHFFFAOYSA-N -2 3 350.396 3.203 20 0 FGADHL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833505231 604732823 /nfs/dbraw/zinc/73/28/23/604732823.db2.gz YATNHXFBDKUGPB-KRWDZBQOSA-N -2 3 373.405 3.135 20 0 FGADHL O=C([O-])CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2o1 ZINC000826461414 608878709 /nfs/dbraw/zinc/87/87/09/608878709.db2.gz UHIGZHHTINDSAA-XFFZJAGNSA-N -2 3 365.324 3.162 20 0 FGADHL O=C([O-])CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2o1 ZINC000826461414 608878712 /nfs/dbraw/zinc/87/87/12/608878712.db2.gz UHIGZHHTINDSAA-XFFZJAGNSA-N -2 3 365.324 3.162 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c([O-])c1 ZINC000747616576 722652714 /nfs/dbraw/zinc/65/27/14/722652714.db2.gz FATVHJLBLOFVOD-MDZDMXLPSA-N -2 3 365.382 3.121 20 0 FGADHL CSC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761309632 723143199 /nfs/dbraw/zinc/14/31/99/723143199.db2.gz MJRVIOFZHKZHBU-UHFFFAOYSA-N -2 3 372.295 3.112 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1Cl ZINC000793350198 723427469 /nfs/dbraw/zinc/42/74/69/723427469.db2.gz HKGSEEPVNILLJU-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793387714 723433187 /nfs/dbraw/zinc/43/31/87/723433187.db2.gz FXWWKLXWTSVRSX-LLVKDONJSA-N -2 3 367.398 3.341 20 0 FGADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000909494873 744369527 /nfs/dbraw/zinc/36/95/27/744369527.db2.gz FXMTVFSBMRYWSD-LLVKDONJSA-N -2 3 370.243 3.118 20 0 FGADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000007052726 493997252 /nfs/dbraw/zinc/99/72/52/493997252.db2.gz IKXCYXHBRIVYIO-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025514 493999772 /nfs/dbraw/zinc/99/97/72/493999772.db2.gz WLHCQUQWIIRBQS-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000055678389 494387836 /nfs/dbraw/zinc/38/78/36/494387836.db2.gz RFLTYFDOOQDFGG-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc2ccccc2cc1[O-] ZINC000067119277 494478821 /nfs/dbraw/zinc/47/88/21/494478821.db2.gz KASXRWPBQQPBEV-UHFFFAOYSA-N -2 3 354.435 3.107 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(Br)cc1F ZINC000133669880 495044311 /nfs/dbraw/zinc/04/43/11/495044311.db2.gz URHRQILMVCBWQC-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000179616213 495661437 /nfs/dbraw/zinc/66/14/37/495661437.db2.gz WHKUITDLLUJGPI-UHFFFAOYSA-N -2 3 370.430 3.478 20 0 FGADHL Cc1ccnc2nc(C(=O)[N-]c3c([O-])c(Cl)cc(Cl)c3Cl)nn21 ZINC000179646736 495676556 /nfs/dbraw/zinc/67/65/56/495676556.db2.gz SEUSHACHJQTVKQ-UHFFFAOYSA-N -2 3 372.599 3.351 20 0 FGADHL O=C1Nc2ccc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)c3cccc1c23 ZINC000161289246 496145361 /nfs/dbraw/zinc/14/53/61/496145361.db2.gz IZKSVMFUKRZBRK-UHFFFAOYSA-N -2 3 358.350 3.051 20 0 FGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000175024800 496214199 /nfs/dbraw/zinc/21/41/99/496214199.db2.gz VAKFYGLEUGJHMC-UHFFFAOYSA-N -2 3 361.753 3.046 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000262631799 497587246 /nfs/dbraw/zinc/58/72/46/497587246.db2.gz FNXZGHYVZGTALB-SNVBAGLBSA-N -2 3 374.509 3.102 20 0 FGADHL CCOc1cc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)cc(Br)c1[O-] ZINC000263092131 497703397 /nfs/dbraw/zinc/70/33/97/497703397.db2.gz ULTXXCFWBKWBRQ-JQWIXIFHSA-N -2 3 372.259 3.239 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000581285920 505951828 /nfs/dbraw/zinc/95/18/28/505951828.db2.gz UPTRKIINHUCKML-JTQLQIEISA-N -2 3 357.403 3.192 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC000572777453 506049750 /nfs/dbraw/zinc/04/97/50/506049750.db2.gz WJXNPIJKNIQACI-UHFFFAOYSA-N -2 3 361.419 3.462 20 0 FGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000317765906 498794458 /nfs/dbraw/zinc/79/44/58/498794458.db2.gz QQDIIPMFFZECMU-VIFPVBQESA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000322141653 498816252 /nfs/dbraw/zinc/81/62/52/498816252.db2.gz RIBRTAPUQZQEHI-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000322120347 498816843 /nfs/dbraw/zinc/81/68/43/498816843.db2.gz ZEKPBSMMIPSUOM-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000322584502 498817704 /nfs/dbraw/zinc/81/77/04/498817704.db2.gz MWBVZBQQUKPKSV-UHFFFAOYSA-N -2 3 363.838 3.183 20 0 FGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000324812222 498830965 /nfs/dbraw/zinc/83/09/65/498830965.db2.gz SUTJCVXWMCOZIS-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)c(C)c2)cc1C(=O)[O-] ZINC000328046670 498865384 /nfs/dbraw/zinc/86/53/84/498865384.db2.gz NGAXLQVJZIPJID-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL CCOc1cc(C(=O)N=c2[nH][n-]c(-c3ccncc3)c2C)cc(Cl)c1[O-] ZINC000364026308 499090681 /nfs/dbraw/zinc/09/06/81/499090681.db2.gz GBRBYCRZHVJIIN-UHFFFAOYSA-N -2 3 372.812 3.212 20 0 FGADHL O=C1CCCc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cc21 ZINC000436479788 501135224 /nfs/dbraw/zinc/13/52/24/501135224.db2.gz XRPJKBMSYAJFAP-UHFFFAOYSA-N -2 3 351.811 3.365 20 0 FGADHL O=S(=O)([N-]c1ccc(F)cc1F)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478701 501135345 /nfs/dbraw/zinc/13/53/45/501135345.db2.gz NVQNVOYEASCLJJ-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436901695 501229837 /nfs/dbraw/zinc/22/98/37/501229837.db2.gz CMKJTACVVVTLAT-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL CCCCn1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C(C)C ZINC000480247006 502513173 /nfs/dbraw/zinc/51/31/73/502513173.db2.gz LQABVZMGHYLSGR-UHFFFAOYSA-N -2 3 367.471 3.322 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000466255087 502517253 /nfs/dbraw/zinc/51/72/53/502517253.db2.gz LHHXDQPHDWNEOY-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)ccc2O1 ZINC000484533611 502662873 /nfs/dbraw/zinc/66/28/73/502662873.db2.gz YNSHNUYQZPGULS-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)ccc2O1 ZINC000484531858 502662935 /nfs/dbraw/zinc/66/29/35/502662935.db2.gz NZLPADFNLAVWRL-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1 ZINC000484589100 502677777 /nfs/dbraw/zinc/67/77/77/502677777.db2.gz WTCPUSQIMOTPOG-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1nc(C=Cc2csc(-c3ccccn3)n2)[n-]c(=O)c1CCC(=O)[O-] ZINC000470247750 502715439 /nfs/dbraw/zinc/71/54/39/502715439.db2.gz NXWUFGIWAWJMAE-ALCCZGGFSA-N -2 3 368.418 3.197 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c1 ZINC000491534941 503317619 /nfs/dbraw/zinc/31/76/19/503317619.db2.gz XAJQBKREZDYGNZ-UHFFFAOYSA-N -2 3 351.449 3.192 20 0 FGADHL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)ccc1F ZINC000507598223 503329546 /nfs/dbraw/zinc/32/95/46/503329546.db2.gz UQCKSMJOWGMWQD-UHFFFAOYSA-N -2 3 365.382 3.144 20 0 FGADHL Cc1cc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1 ZINC000504299784 503551926 /nfs/dbraw/zinc/55/19/26/503551926.db2.gz RKWYLOADAMCORO-UHFFFAOYSA-N -2 3 366.233 3.465 20 0 FGADHL Cc1cc(Br)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504710820 503607473 /nfs/dbraw/zinc/60/74/73/503607473.db2.gz DZJDAKVOKMCUHM-XQRVVYSFSA-N -2 3 363.211 3.359 20 0 FGADHL Cc1nc(C=Cc2ccccc2OCC(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504720707 503608035 /nfs/dbraw/zinc/60/80/35/503608035.db2.gz LHZKACMBIFCHDI-SREVYHEPSA-N -2 3 368.311 3.229 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512738484 503623197 /nfs/dbraw/zinc/62/31/97/503623197.db2.gz NBOGKLDXEVIPSV-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C ZINC000517258866 503697203 /nfs/dbraw/zinc/69/72/03/503697203.db2.gz ROQCHOXMCQEJKE-UHFFFAOYSA-N -2 3 361.828 3.218 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCCc3ccccc32)c1 ZINC000546957664 503938008 /nfs/dbraw/zinc/93/80/08/503938008.db2.gz GELIITYFGVEWCD-AWEZNQCLSA-N -2 3 351.449 3.192 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c1Cl ZINC000534049604 504025909 /nfs/dbraw/zinc/02/59/09/504025909.db2.gz DQVQXUCQDMODNB-UHFFFAOYSA-N -2 3 374.245 3.479 20 0 FGADHL CCc1nc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)ccc2o1 ZINC000547541825 504143967 /nfs/dbraw/zinc/14/39/67/504143967.db2.gz WFFNRJVVDZXZAW-UHFFFAOYSA-N -2 3 364.354 3.028 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)cc1F ZINC000547611142 504155417 /nfs/dbraw/zinc/15/54/17/504155417.db2.gz FOIWSFQHHWMIFB-ONGXEEELSA-N -2 3 365.854 3.345 20 0 FGADHL CCSCc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000538296190 504194560 /nfs/dbraw/zinc/19/45/60/504194560.db2.gz JCZCYQPKTOXMIH-UHFFFAOYSA-N -2 3 353.465 3.455 20 0 FGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547888173 504258012 /nfs/dbraw/zinc/25/80/12/504258012.db2.gz GKYMGINYMACUTJ-NSHDSACASA-N -2 3 355.843 3.272 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547937796 504266044 /nfs/dbraw/zinc/26/60/44/504266044.db2.gz FSPHNHFBXZDWQL-NXEZZACHSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)cc1C(=O)[O-] ZINC000519826272 504354540 /nfs/dbraw/zinc/35/45/40/504354540.db2.gz OSLPQZIFXFFLON-OAHLLOKOSA-N -2 3 369.826 3.369 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000532279976 504597115 /nfs/dbraw/zinc/59/71/15/504597115.db2.gz VIRKNHYONWOTPO-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL O=C([N-]c1nnc(-c2ccco2)s1)c1nn(-c2ccccc2F)cc1[O-] ZINC000560697095 505163599 /nfs/dbraw/zinc/16/35/99/505163599.db2.gz VSFHKCOSLPQGLP-UHFFFAOYSA-N -2 3 371.353 3.081 20 0 FGADHL CC[C@@H](C(=O)[O-])N(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CC1 ZINC000557630922 505187962 /nfs/dbraw/zinc/18/79/62/505187962.db2.gz LTFJQHIORLWSBK-INIZCTEOSA-N -2 3 370.409 3.017 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000567301718 505422968 /nfs/dbraw/zinc/42/29/68/505422968.db2.gz PDEKUTNCCGLINP-GFCCVEGCSA-N -2 3 359.831 3.172 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000584506532 507382145 /nfs/dbraw/zinc/38/21/45/507382145.db2.gz MGTNNYLAZLHNSQ-OCCSQVGLSA-N -2 3 369.414 3.192 20 0 FGADHL COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([O-])c(Cl)c2)c1[O-] ZINC000588098366 507761023 /nfs/dbraw/zinc/76/10/23/507761023.db2.gz PMAAPTPFMUPZAQ-UHFFFAOYSA-N -2 3 356.161 3.444 20 0 FGADHL COc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1[O-] ZINC000513732278 561948017 /nfs/dbraw/zinc/94/80/17/561948017.db2.gz FXLUIWGTXVNBTG-UHFFFAOYSA-N -2 3 362.183 3.063 20 0 FGADHL CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737495693 600210694 /nfs/dbraw/zinc/21/06/94/600210694.db2.gz KHPBIISMAFCDAB-KRWDZBQOSA-N -2 3 363.373 3.339 20 0 FGADHL O=C([O-])CCCOc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000739686585 600496849 /nfs/dbraw/zinc/49/68/49/600496849.db2.gz MYLZAFYJXFXWBA-UHFFFAOYSA-N -2 3 366.373 3.024 20 0 FGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000739710887 600539069 /nfs/dbraw/zinc/53/90/69/600539069.db2.gz LKWNEDMRCONSDF-UHFFFAOYSA-N -2 3 361.757 3.129 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000828994327 600759000 /nfs/dbraw/zinc/75/90/00/600759000.db2.gz UKCKDELLIDRNFT-AWEZNQCLSA-N -2 3 351.424 3.013 20 0 FGADHL C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827760508 601240241 /nfs/dbraw/zinc/24/02/41/601240241.db2.gz LCHZVGPFZYUYMP-QWRGUYRKSA-N -2 3 369.389 3.134 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NCc3cccc(C(=O)[O-])c3)nc2)n1 ZINC000820473924 601934270 /nfs/dbraw/zinc/93/42/70/601934270.db2.gz AZMBSLQEXCILSF-UHFFFAOYSA-N -2 3 350.378 3.117 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](NC(=O)[O-])[C@@H](C)CC)c2)n1 ZINC000739536939 602128415 /nfs/dbraw/zinc/12/84/15/602128415.db2.gz WUACDIOOWSNJRW-MEDUHNTESA-N -2 3 372.425 3.032 20 0 FGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc2ccsc21 ZINC000826256005 607684702 /nfs/dbraw/zinc/68/47/02/607684702.db2.gz RGGNVLHDJACFLM-UHFFFAOYSA-N -2 3 371.447 3.191 20 0 FGADHL CC1=C(C(=O)[O-])[C@H](c2ccc([O-])c(F)c2)NC(=O)N1Cc1cccs1 ZINC000833576921 604556964 /nfs/dbraw/zinc/55/69/64/604556964.db2.gz LYGDUUFREPDYSW-HNNXBMFYSA-N -2 3 362.382 3.218 20 0 FGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])ccc2O1 ZINC000833562686 604747534 /nfs/dbraw/zinc/74/75/34/604747534.db2.gz WQDFUSYLLOTWHS-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000824325045 608581988 /nfs/dbraw/zinc/58/19/88/608581988.db2.gz YQAORRGUOHEHNP-UHFFFAOYSA-N -2 3 373.800 3.265 20 0 FGADHL Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ncccc2[O-])cc1 ZINC000022264374 695651521 /nfs/dbraw/zinc/65/15/21/695651521.db2.gz AHCLRVNFQAGDJS-UHFFFAOYSA-N -2 3 355.423 3.046 20 0 FGADHL O=C([O-])Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)n1 ZINC000238142731 713601270 /nfs/dbraw/zinc/60/12/70/713601270.db2.gz SXRKGLGTBWIQMQ-UHFFFAOYSA-N -2 3 363.782 3.331 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000327007655 713821263 /nfs/dbraw/zinc/82/12/63/713821263.db2.gz FHGLFZRCHSGNRG-UHFFFAOYSA-N -2 3 367.398 3.422 20 0 FGADHL CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000629288042 716252939 /nfs/dbraw/zinc/25/29/39/716252939.db2.gz IPDDXGQQEFTVOB-CQSZACIVSA-N -2 3 373.833 3.184 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000629346789 716270896 /nfs/dbraw/zinc/27/08/96/716270896.db2.gz VVMJLXGDHFMWNV-CQSZACIVSA-N -2 3 369.826 3.296 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(C(=O)[O-])c1Cl ZINC000759096047 722999389 /nfs/dbraw/zinc/99/93/89/722999389.db2.gz IGPVSZDOBCOUDK-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL COc1cc(C(=O)Nc2nc(Br)ccc2[O-])cc(Cl)c1[O-] ZINC000790045908 723098165 /nfs/dbraw/zinc/09/81/65/723098165.db2.gz AWPFXHIBRREXNC-UHFFFAOYSA-N -2 3 373.590 3.170 20 0 FGADHL CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793391793 723433563 /nfs/dbraw/zinc/43/35/63/723433563.db2.gz CIODXYRIQFDAMW-UHFFFAOYSA-N -2 3 369.439 3.496 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(Cl)c1F ZINC000767735327 723631900 /nfs/dbraw/zinc/63/19/00/723631900.db2.gz LZEUWHWANIDYMN-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)[N-]OCc1ccccc1 ZINC000811395057 725361653 /nfs/dbraw/zinc/36/16/53/725361653.db2.gz SWLGPRMMVOCDJD-UHFFFAOYSA-N -2 3 364.810 3.288 20 0 FGADHL O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]c1n[n-]c(C(F)F)n1 ZINC000903149739 743812856 /nfs/dbraw/zinc/81/28/56/743812856.db2.gz DPJYQOFOWINDAF-UHFFFAOYSA-N -2 3 363.198 3.053 20 0 FGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000094703122 494957071 /nfs/dbraw/zinc/95/70/71/494957071.db2.gz VXXYLRTYAUXEGZ-VIFPVBQESA-N -2 3 354.255 3.019 20 0 FGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000094702970 494957137 /nfs/dbraw/zinc/95/71/37/494957137.db2.gz PVHREOHSPXWQFC-VIFPVBQESA-N -2 3 354.255 3.019 20 0 FGADHL O=C(Cc1cncc([O-])c1)Nc1cc(Cl)cc(Br)c1[O-] ZINC000576894997 505618783 /nfs/dbraw/zinc/61/87/83/505618783.db2.gz GAVOJHGAYNINAT-UHFFFAOYSA-N -2 3 357.591 3.090 20 0 FGADHL CCOc1cc(CN2CCC[C@H](CC(=O)[O-])C2)cc(Br)c1[O-] ZINC000576959413 505633977 /nfs/dbraw/zinc/63/39/77/505633977.db2.gz BQQNMIBOOOUAFT-LLVKDONJSA-N -2 3 372.259 3.240 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)n1 ZINC000077221951 494036004 /nfs/dbraw/zinc/03/60/04/494036004.db2.gz GPVOQVYWRGSRRG-UHFFFAOYSA-N -2 3 355.781 3.357 20 0 FGADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1[O-] ZINC000094122615 494951856 /nfs/dbraw/zinc/95/18/56/494951856.db2.gz XSBCPCJWWPGZLB-UHFFFAOYSA-N -2 3 374.340 3.035 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1-n1cccc1C(=O)[O-] ZINC000110142715 494952729 /nfs/dbraw/zinc/95/27/29/494952729.db2.gz WKKUFKYSGXEHSW-UHFFFAOYSA-N -2 3 374.393 3.424 20 0 FGADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000134620782 495178023 /nfs/dbraw/zinc/17/80/23/495178023.db2.gz XBQYMBDAYZFIKX-UHFFFAOYSA-N -2 3 359.447 3.383 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1 ZINC000135357350 495281609 /nfs/dbraw/zinc/28/16/09/495281609.db2.gz ABSCFQSDUKFBGI-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(F)c1 ZINC000181201316 496309588 /nfs/dbraw/zinc/30/95/88/496309588.db2.gz CFNHIHXPIVBNAQ-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000569064696 505842335 /nfs/dbraw/zinc/84/23/35/505842335.db2.gz AOTDBCPSFKORDD-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CCCCOc1ccccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503333 496942659 /nfs/dbraw/zinc/94/26/59/496942659.db2.gz SHQSBFJCEDHINU-PKNBQFBNSA-N -2 3 356.422 3.445 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)sc1Cl ZINC000231807943 497109847 /nfs/dbraw/zinc/10/98/47/497109847.db2.gz QYEYGRHGDCEROI-VIFPVBQESA-N -2 3 353.893 3.268 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000575743162 505995384 /nfs/dbraw/zinc/99/53/84/505995384.db2.gz AABKQEKAQWQONH-GFCCVEGCSA-N -2 3 363.426 3.223 20 0 FGADHL CC(C)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000281730448 498249700 /nfs/dbraw/zinc/24/97/00/498249700.db2.gz OATADRPPIREZAV-UHFFFAOYSA-N -2 3 372.387 3.046 20 0 FGADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000578749927 506011905 /nfs/dbraw/zinc/01/19/05/506011905.db2.gz RCVFDUFYGMNXNJ-OLZOCXBDSA-N -2 3 367.854 3.415 20 0 FGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000319932868 498804709 /nfs/dbraw/zinc/80/47/09/498804709.db2.gz ATLGMLNIKKZURV-UHFFFAOYSA-N -2 3 361.847 3.048 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000320441606 498807738 /nfs/dbraw/zinc/80/77/38/498807738.db2.gz MGXYWEGILGVELI-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000321149278 498812060 /nfs/dbraw/zinc/81/20/60/498812060.db2.gz NRTGRCBZECICSR-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000322141650 498816763 /nfs/dbraw/zinc/81/67/63/498816763.db2.gz RIBRTAPUQZQEHI-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC000432769655 500560740 /nfs/dbraw/zinc/56/07/40/500560740.db2.gz DFDAQHBBSNWADS-CYBMUJFWSA-N -2 3 362.451 3.132 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442236396 500573810 /nfs/dbraw/zinc/57/38/10/500573810.db2.gz KLNLFRAXDZSZIR-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3ccsc32)ccc1[O-] ZINC000443468861 500728710 /nfs/dbraw/zinc/72/87/10/500728710.db2.gz XPSUFRVLKCBSGX-UHFFFAOYSA-N -2 3 362.432 3.366 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000435883043 501041646 /nfs/dbraw/zinc/04/16/46/501041646.db2.gz IKCJIOQBDAXHCN-JKSUJKDBSA-N -2 3 373.455 3.434 20 0 FGADHL [O-]c1ccc(F)c(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)c1F ZINC000436611330 501170130 /nfs/dbraw/zinc/17/01/30/501170130.db2.gz ZUAPTZSCYWPDHV-UHFFFAOYSA-N -2 3 369.343 3.425 20 0 FGADHL CCOc1cc(-c2noc(-c3ccc(C(=O)OC)[n-]3)n2)cc(Cl)c1[O-] ZINC000436782513 501210605 /nfs/dbraw/zinc/21/06/05/501210605.db2.gz IRWLKMFVZRHBJT-UHFFFAOYSA-N -2 3 363.757 3.276 20 0 FGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(Cl)c1[O-] ZINC000436801756 501213531 /nfs/dbraw/zinc/21/35/31/501213531.db2.gz FBVURSXTRAHQNV-UHFFFAOYSA-N -2 3 358.785 3.163 20 0 FGADHL O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)C(=O)c1ccc([O-])cc1 ZINC000436917618 501232844 /nfs/dbraw/zinc/23/28/44/501232844.db2.gz CBBLFRQPJZMKNL-UHFFFAOYSA-N -2 3 374.299 3.470 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)ccc1C(=O)[O-] ZINC000506722589 503161363 /nfs/dbraw/zinc/16/13/63/503161363.db2.gz XNMAJDTUCZRDGX-UHFFFAOYSA-N -2 3 363.435 3.419 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504587014 503593602 /nfs/dbraw/zinc/59/36/02/503593602.db2.gz QPDNFAIRZPUAKC-JTQLQIEISA-N -2 3 373.780 3.281 20 0 FGADHL Cc1ccc(-c2ncc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)s2)o1 ZINC000504712716 503607703 /nfs/dbraw/zinc/60/77/03/503607703.db2.gz RVPAYMNRVIYOLK-XQRVVYSFSA-N -2 3 357.391 3.313 20 0 FGADHL Cc1nc(C=Cc2ccc(Br)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504721980 503608135 /nfs/dbraw/zinc/60/81/35/503608135.db2.gz SDPOOQMHXDNUFF-HWKANZROSA-N -2 3 367.174 3.190 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(F)(F)F ZINC000517138179 503652449 /nfs/dbraw/zinc/65/24/49/503652449.db2.gz YUQLBXAOCCCPPL-QMMMGPOBSA-N -2 3 359.391 3.092 20 0 FGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C(=O)[O-])c1 ZINC000517299442 503708164 /nfs/dbraw/zinc/70/81/64/503708164.db2.gz AWANSYLQIHPMKN-GFCCVEGCSA-N -2 3 361.419 3.126 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000540497132 503793304 /nfs/dbraw/zinc/79/33/04/503793304.db2.gz JTNSUJSXTHDEPL-UHFFFAOYSA-N -2 3 372.402 3.389 20 0 FGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000530907125 504126012 /nfs/dbraw/zinc/12/60/12/504126012.db2.gz QTZZCHKETBFLJG-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1Cl ZINC000547576658 504151249 /nfs/dbraw/zinc/15/12/49/504151249.db2.gz PSTFOWDINYKEBJ-VIFPVBQESA-N -2 3 354.255 3.081 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000538299229 504196650 /nfs/dbraw/zinc/19/66/50/504196650.db2.gz WMVGYIJKKQBIOA-UHFFFAOYSA-N -2 3 363.435 3.430 20 0 FGADHL COCCc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000548196447 504366783 /nfs/dbraw/zinc/36/67/83/504366783.db2.gz KKRRYHBSEIINRC-UHFFFAOYSA-N -2 3 369.826 3.028 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000548210334 504369277 /nfs/dbraw/zinc/36/92/77/504369277.db2.gz KCZNPZVWUYZGIK-ZDUSSCGKSA-N -2 3 374.245 3.406 20 0 FGADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000548268781 504378769 /nfs/dbraw/zinc/37/87/69/504378769.db2.gz WRKMHFKJJUIBQS-NSHDSACASA-N -2 3 361.872 3.190 20 0 FGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(Cl)c2F)(CC(=O)[O-])C1 ZINC000548555902 504482057 /nfs/dbraw/zinc/48/20/57/504482057.db2.gz RKQGXTJRIWNZJU-BMIGLBTASA-N -2 3 363.838 3.039 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1C ZINC000548591420 504487133 /nfs/dbraw/zinc/48/71/33/504487133.db2.gz JFYQXQJIRQRXPC-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c1Cl ZINC000548981747 504642933 /nfs/dbraw/zinc/64/29/33/504642933.db2.gz IDZPYKDPHXDTHN-PRHODGIISA-N -2 3 366.266 3.079 20 0 FGADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000536611162 504769539 /nfs/dbraw/zinc/76/95/39/504769539.db2.gz JQLAVFAANAVNER-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)N(CC(=O)[O-])C3CCCC3)cc2)cc(=O)[n-]1 ZINC000559413701 504856845 /nfs/dbraw/zinc/85/68/45/504856845.db2.gz YDMXQNMMJIPXHL-UHFFFAOYSA-N -2 3 370.409 3.019 20 0 FGADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC000559886031 504943352 /nfs/dbraw/zinc/94/33/52/504943352.db2.gz TVYJCLNSGNWUIV-UHFFFAOYSA-N -2 3 373.883 3.356 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000556773193 504970275 /nfs/dbraw/zinc/97/02/75/504970275.db2.gz MFFQIFCYMXSKKE-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000556773556 504970425 /nfs/dbraw/zinc/97/04/25/504970425.db2.gz FOLSAMDGKRQBBL-SNVBAGLBSA-N -2 3 373.780 3.147 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1Cl ZINC000567127621 505371598 /nfs/dbraw/zinc/37/15/98/505371598.db2.gz YWNORNDHTSYBHD-UHFFFAOYSA-N -3 3 362.190 3.198 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)c1ncc(C(=O)[O-])s1 ZINC000567471737 505474318 /nfs/dbraw/zinc/47/43/18/505474318.db2.gz YKCNERMUBFZIMV-QMMMGPOBSA-N -2 3 374.509 3.240 20 0 FGADHL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3cc(-c4ccco4)[n-]n3)s2)c1 ZINC000604359174 506799885 /nfs/dbraw/zinc/79/98/85/506799885.db2.gz UEGOBTZEHIEHEO-UHFFFAOYSA-N -2 3 365.418 3.479 20 0 FGADHL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3cc(-c4ccco4)n[n-]3)s2)c1 ZINC000604359174 506799889 /nfs/dbraw/zinc/79/98/89/506799889.db2.gz UEGOBTZEHIEHEO-UHFFFAOYSA-N -2 3 365.418 3.479 20 0 FGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)c[n-]1 ZINC000585730491 507608142 /nfs/dbraw/zinc/60/81/42/507608142.db2.gz VKRJPAJWGDOSHJ-UHFFFAOYSA-N -2 3 371.846 3.164 20 0 FGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616333336 519984104 /nfs/dbraw/zinc/98/41/04/519984104.db2.gz YQLFRUQFANGMMI-UHFFFAOYSA-N -2 3 357.439 3.492 20 0 FGADHL CCOc1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc(Cl)c1[O-] ZINC000616826939 520164890 /nfs/dbraw/zinc/16/48/90/520164890.db2.gz VCRKMYMQPRRFNS-GFCCVEGCSA-N -2 3 351.790 3.271 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1N1CCCC1 ZINC000738464012 600103848 /nfs/dbraw/zinc/10/38/48/600103848.db2.gz VESCMSQEVPVAEG-UHFFFAOYSA-N -2 3 374.462 3.403 20 0 FGADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000740026004 600447223 /nfs/dbraw/zinc/44/72/23/600447223.db2.gz YHLOYNUVKUTWNY-UHFFFAOYSA-N -2 3 372.805 3.090 20 0 FGADHL O=C([O-])Nc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000833287832 601335680 /nfs/dbraw/zinc/33/56/80/601335680.db2.gz ASPMGTWKPDADOM-UHFFFAOYSA-N -2 3 351.156 3.497 20 0 FGADHL Cc1cc(=O)[n-]c(CN(C)[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000832899217 602311914 /nfs/dbraw/zinc/31/19/14/602311914.db2.gz JWSGNQWLPKTHMZ-AWEZNQCLSA-N -2 3 356.209 3.055 20 0 FGADHL O=C([O-])N1CCCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)ccc21 ZINC000740523513 602646950 /nfs/dbraw/zinc/64/69/50/602646950.db2.gz JOYVROOSBXMYDI-UHFFFAOYSA-N -2 3 372.446 3.407 20 0 FGADHL CN(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000737936535 604706098 /nfs/dbraw/zinc/70/60/98/604706098.db2.gz HPTRRDJGNILSNG-UHFFFAOYSA-N -2 3 356.378 3.472 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(C)C)cc2)oc1C(=O)[O-] ZINC000663421211 720511678 /nfs/dbraw/zinc/51/16/78/720511678.db2.gz KNIWWILVSVIXEK-GFCCVEGCSA-N -2 3 367.423 3.113 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)C)c2cccs2)oc1C(=O)[O-] ZINC000663423048 720511968 /nfs/dbraw/zinc/51/19/68/720511968.db2.gz OQKXRNWKAPLKKA-NSHDSACASA-N -2 3 357.453 3.413 20 0 FGADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Cl)c1OC ZINC000670370168 721532062 /nfs/dbraw/zinc/53/20/62/721532062.db2.gz HHHKUWDMALSBJM-SNAWJCMRSA-N -2 3 350.758 3.112 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1F ZINC000790616071 723159545 /nfs/dbraw/zinc/15/95/45/723159545.db2.gz KSNWTGBAZAFRRI-UHFFFAOYSA-N -2 3 363.288 3.401 20 0 FGADHL COc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC000793358794 723429203 /nfs/dbraw/zinc/42/92/03/723429203.db2.gz QSXYBJDMTFOGPW-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)CC(F)(F)F ZINC000840899544 730189249 /nfs/dbraw/zinc/18/92/49/730189249.db2.gz PNOBRHDVWCMCLV-SECBINFHSA-N -2 3 371.352 3.089 20 0 FGADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1(F)F ZINC000907040413 744180767 /nfs/dbraw/zinc/18/07/67/744180767.db2.gz MQJLGNAQJZLFIX-NSHDSACASA-N -2 3 374.192 3.015 20 0 FGADHL COc1cccc2c(C(=O)N=c3[n-]nc(CC4CCCCC4)s3)n[n-]c21 ZINC000580129145 505683225 /nfs/dbraw/zinc/68/32/25/505683225.db2.gz NAZXOLJCDUBNBF-UHFFFAOYSA-N -2 3 371.466 3.220 20 0 FGADHL COc1cccc2c(C(=O)N=c3[n-]nc(CC4CCCCC4)s3)[n-]nc21 ZINC000580129145 505683228 /nfs/dbraw/zinc/68/32/28/505683228.db2.gz NAZXOLJCDUBNBF-UHFFFAOYSA-N -2 3 371.466 3.220 20 0 FGADHL CC(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000029697002 493851991 /nfs/dbraw/zinc/85/19/91/493851991.db2.gz CCSQBKVCLPJLPJ-UHFFFAOYSA-N -2 3 368.842 3.441 20 0 FGADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000008029885 494061715 /nfs/dbraw/zinc/06/17/15/494061715.db2.gz MJCPIIWQXGDZPY-UHFFFAOYSA-N -2 3 365.426 3.168 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)c1 ZINC000126458755 494758064 /nfs/dbraw/zinc/75/80/64/494758064.db2.gz ZCRVRWMQLPILRV-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000133530979 495024937 /nfs/dbraw/zinc/02/49/37/495024937.db2.gz UMACJMWFSHWJOG-UGSOOPFHSA-N -2 3 351.468 3.092 20 0 FGADHL O=C([O-])c1cc([N-]S(=O)(=O)CCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000171339608 495827912 /nfs/dbraw/zinc/82/79/12/495827912.db2.gz IEAYQIQFBJOSRU-UHFFFAOYSA-N -2 3 365.251 3.098 20 0 FGADHL NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(F)c(F)c([O-])c1F ZINC000183561469 496030983 /nfs/dbraw/zinc/03/09/83/496030983.db2.gz WQUSXVFFSGUQAX-UHFFFAOYSA-N -2 3 370.352 3.029 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000156255997 496199384 /nfs/dbraw/zinc/19/93/84/496199384.db2.gz RXALGRFUVPFQFM-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000181074399 496260158 /nfs/dbraw/zinc/26/01/58/496260158.db2.gz JBZHTKMBBZJXQY-UHFFFAOYSA-N -2 3 374.393 3.308 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)ccc1[O-] ZINC000187081615 496284247 /nfs/dbraw/zinc/28/42/47/496284247.db2.gz IPNICWXGFNVBIF-UHFFFAOYSA-N -2 3 360.391 3.206 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000185010171 496620037 /nfs/dbraw/zinc/62/00/37/496620037.db2.gz VWAKDHBGRJKVGP-QMMMGPOBSA-N -2 3 374.509 3.240 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)s1 ZINC000261771930 497448277 /nfs/dbraw/zinc/44/82/77/497448277.db2.gz ZGTQCCHUWDJCFW-AWEZNQCLSA-N -2 3 353.465 3.150 20 0 FGADHL Cc1ccc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c([O-])c1 ZINC000263025364 497684576 /nfs/dbraw/zinc/68/45/76/497684576.db2.gz OEEQAVSUAUHZPB-UHFFFAOYSA-N -2 3 353.418 3.494 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CCCC1 ZINC000576004641 506053978 /nfs/dbraw/zinc/05/39/78/506053978.db2.gz HUXVWMPWPLMQSZ-UHFFFAOYSA-N -2 3 353.827 3.169 20 0 FGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000579071397 506087032 /nfs/dbraw/zinc/08/70/32/506087032.db2.gz KZSYTRCJKAZTJQ-LLVKDONJSA-N -2 3 365.854 3.429 20 0 FGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000572938374 506087259 /nfs/dbraw/zinc/08/72/59/506087259.db2.gz OZIQVISZHIZOCJ-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000319334884 498802014 /nfs/dbraw/zinc/80/20/14/498802014.db2.gz BMNJBTCAQPZWIL-MGCOHNPYSA-N -2 3 366.266 3.163 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])sc1Cl ZINC000323087671 498820076 /nfs/dbraw/zinc/82/00/76/498820076.db2.gz WTQDKIYRWZPELY-LBPRGKRZSA-N -2 3 373.883 3.074 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000326622584 498845344 /nfs/dbraw/zinc/84/53/44/498845344.db2.gz NMZJSUYBKKXKBR-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000579304404 506140856 /nfs/dbraw/zinc/14/08/56/506140856.db2.gz YKPFMPQMRAICPK-RNCFNFMXSA-N -2 3 357.403 3.048 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387933102 499550342 /nfs/dbraw/zinc/55/03/42/499550342.db2.gz DAYMOEPWFIWPOE-VHSXEESVSA-N -2 3 351.827 3.037 20 0 FGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389469187 499552702 /nfs/dbraw/zinc/55/27/02/499552702.db2.gz MLODJKDZEUGPOJ-VHSXEESVSA-N -2 3 351.827 3.037 20 0 FGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1C ZINC000392071456 499558013 /nfs/dbraw/zinc/55/80/13/499558013.db2.gz AKOZRPYBMWXXAK-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000399463962 499568255 /nfs/dbraw/zinc/56/82/55/499568255.db2.gz QYJSTWVEEFLBKH-QPUJVOFHSA-N -2 3 354.255 3.017 20 0 FGADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000570465656 506173751 /nfs/dbraw/zinc/17/37/51/506173751.db2.gz HWXGJVOTKYKWLP-UHFFFAOYSA-N -2 3 366.768 3.026 20 0 FGADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000570465656 506173755 /nfs/dbraw/zinc/17/37/55/506173755.db2.gz HWXGJVOTKYKWLP-UHFFFAOYSA-N -2 3 366.768 3.026 20 0 FGADHL COc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)c(Br)c1[O-] ZINC000426837305 500326949 /nfs/dbraw/zinc/32/69/49/500326949.db2.gz WSYNJJGRHJABKG-GFCCVEGCSA-N -2 3 372.240 3.140 20 0 FGADHL CCCn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc21 ZINC000433511396 500706902 /nfs/dbraw/zinc/70/69/02/500706902.db2.gz QXTKGIQVNLJXAB-UHFFFAOYSA-N -3 3 374.418 3.256 20 0 FGADHL Cc1nc(C=Cc2ccnn2-c2ccc(F)cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443448655 500725872 /nfs/dbraw/zinc/72/58/72/500725872.db2.gz UTGVQJNKHAHQIC-VURMDHGXSA-N -2 3 368.368 3.003 20 0 FGADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2ccsc21 ZINC000436750644 501204270 /nfs/dbraw/zinc/20/42/70/501204270.db2.gz OLFFTXQGLUCRFN-UHFFFAOYSA-N -2 3 370.171 3.374 20 0 FGADHL COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C ZINC000471131290 501930640 /nfs/dbraw/zinc/93/06/40/501930640.db2.gz PBSYGAVUDHMKJP-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)c1 ZINC000486098102 502045999 /nfs/dbraw/zinc/04/59/99/502045999.db2.gz HJSNUHVHVXHAPQ-UHFFFAOYSA-N -2 3 372.240 3.273 20 0 FGADHL Cc1cc(Br)c([O-])c(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000482666974 502144945 /nfs/dbraw/zinc/14/49/45/502144945.db2.gz AEZFOYJMISAINM-UHFFFAOYSA-N -2 3 368.256 3.168 20 0 FGADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000479291541 502216021 /nfs/dbraw/zinc/21/60/21/502216021.db2.gz ZBIYXHZKAJYXDB-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL CCOc1cc(C(=O)Nc2cc(C(=O)OC)ccc2[O-])cc(Cl)c1[O-] ZINC000505743381 502976263 /nfs/dbraw/zinc/97/62/63/502976263.db2.gz GTUGSWMJRPESMR-UHFFFAOYSA-N -2 3 365.769 3.189 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)cc1C(=O)[O-] ZINC000507588349 503327370 /nfs/dbraw/zinc/32/73/70/503327370.db2.gz YZJVUZVXEMDPGE-UHFFFAOYSA-N -2 3 365.382 3.090 20 0 FGADHL Cc1cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c(C(=O)[O-])cc1C ZINC000507982821 503408411 /nfs/dbraw/zinc/40/84/11/503408411.db2.gz GTJCZNQNXOSPJC-UHFFFAOYSA-N -2 3 366.439 3.229 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1C ZINC000516506826 503523224 /nfs/dbraw/zinc/52/32/24/503523224.db2.gz JZKFLUQJGMPBJB-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504601239 503595697 /nfs/dbraw/zinc/59/56/97/503595697.db2.gz IPCJRGYHDOJNBU-CPCISQLKSA-N -2 3 373.780 3.136 20 0 FGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000504681282 503604903 /nfs/dbraw/zinc/60/49/03/503604903.db2.gz VULJEDVHECJNEV-UHFFFAOYSA-N -2 3 371.414 3.494 20 0 FGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504696452 503605887 /nfs/dbraw/zinc/60/58/87/503605887.db2.gz YREIUPBSJOCHCG-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504703676 503606921 /nfs/dbraw/zinc/60/69/21/503606921.db2.gz OWGXFZLHIGZNNT-UHFFFAOYSA-N -2 3 363.435 3.464 20 0 FGADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000537372161 503892597 /nfs/dbraw/zinc/89/25/97/503892597.db2.gz YBSARCWFISGFOU-AWEZNQCLSA-N -2 3 367.760 3.139 20 0 FGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000530419976 503958993 /nfs/dbraw/zinc/95/89/93/503958993.db2.gz JMRUKPHVIVJGTM-HNNXBMFYSA-N -2 3 367.854 3.415 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1CC(=O)[O-] ZINC000538136834 504142247 /nfs/dbraw/zinc/14/22/47/504142247.db2.gz FWWGHPYVYWOSDI-UHFFFAOYSA-N -2 3 369.826 3.085 20 0 FGADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000547546280 504145134 /nfs/dbraw/zinc/14/51/34/504145134.db2.gz FGNVTHXDRQBMIY-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)Cc3ccccc3Cl)ccc12 ZINC000547548089 504146190 /nfs/dbraw/zinc/14/61/90/504146190.db2.gz CMAIUJAPIZJILA-UHFFFAOYSA-N -2 3 364.810 3.461 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547572516 504149985 /nfs/dbraw/zinc/14/99/85/504149985.db2.gz CLQZMPIKLAFJBR-RHSMWYFYSA-N -2 3 369.414 3.192 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000538297907 504194693 /nfs/dbraw/zinc/19/46/93/504194693.db2.gz BNWFEVDFIVIZCR-UHFFFAOYSA-N -2 3 356.403 3.264 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c1 ZINC000538298544 504196619 /nfs/dbraw/zinc/19/66/19/504196619.db2.gz NICHMBVLQVEDFV-UHFFFAOYSA-N -2 3 367.398 3.272 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)cc1C(=O)[O-] ZINC000547872521 504255786 /nfs/dbraw/zinc/25/57/86/504255786.db2.gz HXPXYPZAHRDNNG-UHFFFAOYSA-N -2 3 356.403 3.285 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c1Cl ZINC000547888062 504258045 /nfs/dbraw/zinc/25/80/45/504258045.db2.gz CZDLDBXAEUQUNC-UHFFFAOYSA-N -2 3 366.266 3.225 20 0 FGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)o1 ZINC000547940435 504265597 /nfs/dbraw/zinc/26/55/97/504265597.db2.gz MJOORQIGUHAOOC-UHFFFAOYSA-N -2 3 365.794 3.263 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000547963318 504275460 /nfs/dbraw/zinc/27/54/60/504275460.db2.gz VCWLGHUCQFDTPW-VIFPVBQESA-N -2 3 357.403 3.048 20 0 FGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000548193168 504365616 /nfs/dbraw/zinc/36/56/16/504365616.db2.gz AHCOGRLKGFMVMV-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c1Cl ZINC000548239438 504373710 /nfs/dbraw/zinc/37/37/10/504373710.db2.gz ILHHLWUWVGENAR-MRVPVSSYSA-N -2 3 354.255 3.081 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000539118240 504480250 /nfs/dbraw/zinc/48/02/50/504480250.db2.gz VZZCOCLGMXRFIV-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)o1 ZINC000548593137 504486956 /nfs/dbraw/zinc/48/69/56/504486956.db2.gz RKWIVPJSMHGNEE-UHFFFAOYSA-N -2 3 371.823 3.324 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c1Cl ZINC000548590526 504487146 /nfs/dbraw/zinc/48/71/46/504487146.db2.gz OMEKDKGTBHBRQQ-JTQLQIEISA-N -2 3 368.282 3.470 20 0 FGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000548596937 504488850 /nfs/dbraw/zinc/48/88/50/504488850.db2.gz XMGDEUFKDPKXIQ-GFCCVEGCSA-N -2 3 371.817 3.016 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000548620123 504498694 /nfs/dbraw/zinc/49/86/94/504498694.db2.gz KYTAAEIGAGSRLV-QMMMGPOBSA-N -2 3 354.255 3.161 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c1 ZINC000552999557 504801702 /nfs/dbraw/zinc/80/17/02/504801702.db2.gz MFDHLCSBOUUBMB-UHFFFAOYSA-N -2 3 365.476 3.237 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1F ZINC000565831475 505001116 /nfs/dbraw/zinc/00/11/16/505001116.db2.gz SFYFLHISDPLMKL-AWEZNQCLSA-N -2 3 373.377 3.322 20 0 FGADHL C[C@]1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000563080532 505041604 /nfs/dbraw/zinc/04/16/04/505041604.db2.gz JPEAJEGVRVVGDL-FZMZJTMJSA-N -2 3 365.373 3.017 20 0 FGADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)(C(=O)[O-])C1 ZINC000551911619 505340629 /nfs/dbraw/zinc/34/06/29/505340629.db2.gz JCAQGKCQAYOHCA-CQSZACIVSA-N -2 3 366.266 3.305 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000555374737 505420112 /nfs/dbraw/zinc/42/01/12/505420112.db2.gz GXHPWSVWKMMXMR-QMMMGPOBSA-N -2 3 371.352 3.012 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)CCC(F)(F)F)c(SCCC(=O)[O-])c1 ZINC000558851778 505510735 /nfs/dbraw/zinc/51/07/35/505510735.db2.gz DZQBJPBETVXALB-UHFFFAOYSA-N -2 3 371.402 3.256 20 0 FGADHL COC(=O)c1cc(Cl)cc(NC(=O)c2cc(F)c([O-])c(F)c2)c1[O-] ZINC000588100138 507762845 /nfs/dbraw/zinc/76/28/45/507762845.db2.gz PZDSDXLGQKNHPX-UHFFFAOYSA-N -2 3 357.696 3.068 20 0 FGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC000739205801 599871204 /nfs/dbraw/zinc/87/12/04/599871204.db2.gz ZPKSYXVKWWQHNP-UHFFFAOYSA-N -2 3 361.206 3.075 20 0 FGADHL O=C([O-])c1cccc(OCCO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000739344547 600428454 /nfs/dbraw/zinc/42/84/54/600428454.db2.gz BQMXWBLNYRGVFU-UHFFFAOYSA-N -2 3 365.385 3.207 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC000325776786 600637065 /nfs/dbraw/zinc/63/70/65/600637065.db2.gz LMKCFFUAQYBIBA-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2oc3ccccc3c2C)cc1C(=O)[O-] ZINC000833029014 601218658 /nfs/dbraw/zinc/21/86/58/601218658.db2.gz WVYNQVMQDHGWCV-JTQLQIEISA-N -2 3 363.391 3.380 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NCC3(NC(=O)[O-])CCCCC3)nc2)n1 ZINC000739535785 602734827 /nfs/dbraw/zinc/73/48/27/602734827.db2.gz GOBKPOVQWFOFTE-UHFFFAOYSA-N -2 3 371.441 3.189 20 0 FGADHL O=C([O-])NCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000832590005 604220604 /nfs/dbraw/zinc/22/06/04/604220604.db2.gz OMXQIEPYISQYPU-UHFFFAOYSA-N -2 3 370.405 3.304 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1C(=O)[O-] ZINC000833751160 605304225 /nfs/dbraw/zinc/30/42/25/605304225.db2.gz PWPLNLIKOMHAGT-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL O=C([O-])Nc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000834266005 605836263 /nfs/dbraw/zinc/83/62/63/605836263.db2.gz IVIFHWIHGJXWDC-UHFFFAOYSA-N -2 3 365.183 3.426 20 0 FGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826451485 608864349 /nfs/dbraw/zinc/86/43/49/608864349.db2.gz IRYHJTDYKPUZDL-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000826451485 608864353 /nfs/dbraw/zinc/86/43/53/608864353.db2.gz IRYHJTDYKPUZDL-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2F)C(C)C)oc1C(=O)[O-] ZINC000663427510 720512553 /nfs/dbraw/zinc/51/25/53/720512553.db2.gz JVIOVOHHEYYJIX-AWEZNQCLSA-N -2 3 355.387 3.101 20 0 FGADHL CCOc1c(Cl)cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670370043 721531995 /nfs/dbraw/zinc/53/19/95/721531995.db2.gz SSQIZDFNHBKQDL-PLNGDYQASA-N -2 3 350.758 3.112 20 0 FGADHL COc1ccc(OCCCS(=O)(=O)[N-]c2ccc(Cl)cc2[O-])cc1 ZINC000677136599 721861882 /nfs/dbraw/zinc/86/18/82/721861882.db2.gz PFDOKJJLPLXWLU-UHFFFAOYSA-N -2 3 371.842 3.265 20 0 FGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000761231516 723135218 /nfs/dbraw/zinc/13/52/18/723135218.db2.gz MVZHWRWYTCMWPJ-UHFFFAOYSA-N -2 3 360.218 3.170 20 0 FGADHL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793354378 723428386 /nfs/dbraw/zinc/42/83/86/723428386.db2.gz VVFHLFBKEVDNIC-UHFFFAOYSA-N -2 3 355.412 3.355 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)CC1CCCC1 ZINC000776554605 724158475 /nfs/dbraw/zinc/15/84/75/724158475.db2.gz HXTRZQFTRJNACY-LLVKDONJSA-N -2 3 363.838 3.039 20 0 FGADHL O=C([O-])C1(CCCCNC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000908334613 744279957 /nfs/dbraw/zinc/27/99/57/744279957.db2.gz NTFCEJPIICBNTL-UHFFFAOYSA-N -2 3 351.418 3.395 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1 ZINC000007055991 493998565 /nfs/dbraw/zinc/99/85/65/493998565.db2.gz BKJTWKUUCPNZAH-UHFFFAOYSA-N -2 3 361.297 3.084 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3ccccc3c2)c(F)c1 ZINC000568541818 505718956 /nfs/dbraw/zinc/71/89/56/505718956.db2.gz YQONGNNRIXNHLB-SFHVURJKSA-N -2 3 373.405 3.392 20 0 FGADHL Cc1cc(Cl)cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c1[O-] ZINC000116979947 494878705 /nfs/dbraw/zinc/87/87/05/494878705.db2.gz RZNIGUMMMDXMLA-UHFFFAOYSA-N -2 3 374.828 3.290 20 0 FGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cccs1 ZINC000129754316 495291129 /nfs/dbraw/zinc/29/11/29/495291129.db2.gz OJDGCXXLWGWSFK-SNVBAGLBSA-N -2 3 366.247 3.159 20 0 FGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000130636444 495422750 /nfs/dbraw/zinc/42/27/50/495422750.db2.gz KIAQLHUXHRABRQ-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1[O-] ZINC000163017399 496450289 /nfs/dbraw/zinc/45/02/89/496450289.db2.gz ZEELYYSZPMELPA-UHFFFAOYSA-N -2 3 356.350 3.089 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000277497576 496792412 /nfs/dbraw/zinc/79/24/12/496792412.db2.gz CVDGAWUCKIWPGG-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)c1 ZINC000578574382 505971137 /nfs/dbraw/zinc/97/11/37/505971137.db2.gz IJZFESPOUSNUMT-UHFFFAOYSA-N -2 3 373.377 3.267 20 0 FGADHL O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000578749926 506011937 /nfs/dbraw/zinc/01/19/37/506011937.db2.gz RCVFDUFYGMNXNJ-CHWSQXEVSA-N -2 3 367.854 3.415 20 0 FGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000317783335 498794299 /nfs/dbraw/zinc/79/42/99/498794299.db2.gz CZGCAVKLDNEJDX-SNVBAGLBSA-N -2 3 351.827 3.037 20 0 FGADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000322203175 498817124 /nfs/dbraw/zinc/81/71/24/498817124.db2.gz RNELNKRQJLHJNN-NXEZZACHSA-N -2 3 363.863 3.150 20 0 FGADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000325746396 498838697 /nfs/dbraw/zinc/83/86/97/498838697.db2.gz QPTGUGNBVYUJIO-UHFFFAOYSA-N -2 3 365.373 3.161 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000325758811 498838940 /nfs/dbraw/zinc/83/89/40/498838940.db2.gz ZDTFQUPHIIKSAI-MNOVXSKESA-N -2 3 367.389 3.263 20 0 FGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000326568621 498845377 /nfs/dbraw/zinc/84/53/77/498845377.db2.gz YASAESWHVYMFMR-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c2cccnc12 ZINC000392981815 499559727 /nfs/dbraw/zinc/55/97/27/499559727.db2.gz QKCFGQVWWLUJOO-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000399440796 499568141 /nfs/dbraw/zinc/56/81/41/499568141.db2.gz KTTWOXMRKXRYTR-KCJUWKMLSA-N -2 3 354.255 3.017 20 0 FGADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000376738337 499633232 /nfs/dbraw/zinc/63/32/32/499633232.db2.gz TUKQJGFWARCNDB-UHFFFAOYSA-N -2 3 359.809 3.486 20 0 FGADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cc1)C(=O)[O-] ZINC000421143888 499970356 /nfs/dbraw/zinc/97/03/56/499970356.db2.gz AZAFVRPQMSSDQT-NVXWUHKLSA-N -2 3 371.499 3.143 20 0 FGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000421162142 499978136 /nfs/dbraw/zinc/97/81/36/499978136.db2.gz YTFRDTYFZWYDNR-CJNGLKHVSA-N -2 3 357.472 3.068 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000432044759 500459664 /nfs/dbraw/zinc/45/96/64/500459664.db2.gz BAXTVJISIUXWTA-UHFFFAOYSA-N -2 3 359.812 3.103 20 0 FGADHL CCOc1cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000424413050 500500253 /nfs/dbraw/zinc/50/02/53/500500253.db2.gz OCJRHNMMISIJEO-HZMBPMFUSA-N -2 3 372.259 3.239 20 0 FGADHL COc1cc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000443454851 500726635 /nfs/dbraw/zinc/72/66/35/500726635.db2.gz PVEBCGJEHZDMDR-FNORWQNLSA-N -2 3 358.394 3.004 20 0 FGADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2[nH]1 ZINC000433845227 500754481 /nfs/dbraw/zinc/75/44/81/500754481.db2.gz WDHKEOLCGJOHOB-UHFFFAOYSA-N -2 3 373.434 3.405 20 0 FGADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2[nH]1 ZINC000433845227 500754482 /nfs/dbraw/zinc/75/44/82/500754482.db2.gz WDHKEOLCGJOHOB-UHFFFAOYSA-N -2 3 373.434 3.405 20 0 FGADHL O=c1nc2[nH]cc(-c3nc(-c4ccc([O-])c5ccccc45)no3)cc-2c(=O)[n-]1 ZINC000436606826 501168547 /nfs/dbraw/zinc/16/85/47/501168547.db2.gz FJFMPVYWCPBLHO-UHFFFAOYSA-N -2 3 373.328 3.012 20 0 FGADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)c1[O-] ZINC000436769679 501208814 /nfs/dbraw/zinc/20/88/14/501208814.db2.gz KIFWWQWOPLCGAA-CYBMUJFWSA-N -2 3 363.435 3.033 20 0 FGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)c1 ZINC000436893533 501228459 /nfs/dbraw/zinc/22/84/59/501228459.db2.gz NVOGSODHEXIQPM-UHFFFAOYSA-N -3 3 362.190 3.198 20 0 FGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000485257226 501772056 /nfs/dbraw/zinc/77/20/56/501772056.db2.gz UZVMDPALGFVQNF-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1Br ZINC000476257341 502432639 /nfs/dbraw/zinc/43/26/39/502432639.db2.gz ITVVKJOXZPTXNT-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL CCN(CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000487425215 502440872 /nfs/dbraw/zinc/44/08/72/502440872.db2.gz CEXAPCCBAQQGHY-UHFFFAOYSA-N -2 3 364.423 3.176 20 0 FGADHL Cc1nc(C=Cc2cc(Br)ccc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000470261934 502718676 /nfs/dbraw/zinc/71/86/76/502718676.db2.gz XSIMFKARHBWDTK-GORDUTHDSA-N -2 3 367.174 3.190 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000507757566 503361053 /nfs/dbraw/zinc/36/10/53/503361053.db2.gz VCHGVTFENDBBEB-VIFPVBQESA-N -2 3 367.801 3.142 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000516333478 503495927 /nfs/dbraw/zinc/49/59/27/503495927.db2.gz NKVXKAUSXJPKBA-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000540498258 503793049 /nfs/dbraw/zinc/79/30/49/503793049.db2.gz VHHGHPYNPWVYCH-UHFFFAOYSA-N -2 3 351.424 3.297 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000537196253 503836804 /nfs/dbraw/zinc/83/68/04/503836804.db2.gz DAPDJQGNYQWPLC-UHFFFAOYSA-N -2 3 355.387 3.128 20 0 FGADHL COc1ccc(CN=c2[n-]nc(C(C)C)s2)c(Br)c1[O-] ZINC000546915018 503924588 /nfs/dbraw/zinc/92/45/88/503924588.db2.gz ZQMAXSWQKWUCQF-UHFFFAOYSA-N -2 3 358.261 3.172 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1C ZINC000534147856 504055307 /nfs/dbraw/zinc/05/53/07/504055307.db2.gz UEPCXLPKTZUEGW-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000547545101 504145339 /nfs/dbraw/zinc/14/53/39/504145339.db2.gz NXAFTCIZVJIIBP-AWEZNQCLSA-N -2 3 371.455 3.289 20 0 FGADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000547544227 504145584 /nfs/dbraw/zinc/14/55/84/504145584.db2.gz INOOFXSLGIWIEC-UHFFFAOYSA-N -2 3 369.389 3.314 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000519395038 504211033 /nfs/dbraw/zinc/21/10/33/504211033.db2.gz YBEJMTIXBGLWQQ-GFCCVEGCSA-N -2 3 374.871 3.233 20 0 FGADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547892209 504259176 /nfs/dbraw/zinc/25/91/76/504259176.db2.gz XFZVTSTZGQGWFE-WMLDXEAASA-N -2 3 367.854 3.415 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c(Cl)cc1F ZINC000547914379 504262073 /nfs/dbraw/zinc/26/20/73/504262073.db2.gz ASFIGQUVDGVNSA-JTQLQIEISA-N -2 3 365.854 3.345 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c1 ZINC000544929811 504303092 /nfs/dbraw/zinc/30/30/92/504303092.db2.gz SQHMEVTXOBMRAL-UHFFFAOYSA-N -2 3 369.489 3.050 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000519799565 504343588 /nfs/dbraw/zinc/34/35/88/504343588.db2.gz DGFHRUYAYUHDQV-GXTWGEPZSA-N -2 3 366.266 3.305 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)cc1C(=O)[O-] ZINC000519826269 504355191 /nfs/dbraw/zinc/35/51/91/504355191.db2.gz OSLPQZIFXFFLON-HNNXBMFYSA-N -2 3 369.826 3.369 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000548217027 504370497 /nfs/dbraw/zinc/37/04/97/504370497.db2.gz KXWHDNUVZONUCD-CYBMUJFWSA-N -2 3 354.255 3.081 20 0 FGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)(CC(=O)[O-])C1 ZINC000548229825 504372225 /nfs/dbraw/zinc/37/22/25/504372225.db2.gz ZYIJYGPCVCJNJC-MEBBXXQBSA-N -2 3 363.838 3.039 20 0 FGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)(CC(=O)[O-])C1 ZINC000548229827 504372542 /nfs/dbraw/zinc/37/25/42/504372542.db2.gz ZYIJYGPCVCJNJC-ZUZCIYMTSA-N -2 3 363.838 3.039 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000548267243 504378810 /nfs/dbraw/zinc/37/88/10/504378810.db2.gz YSVQNBZPNDYCQS-LBPRGKRZSA-N -2 3 357.403 3.048 20 0 FGADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548541162 504479995 /nfs/dbraw/zinc/47/99/95/504479995.db2.gz XEHXEGRVPURDFV-GFCCVEGCSA-N -2 3 365.373 3.017 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)c1 ZINC000520382869 504484935 /nfs/dbraw/zinc/48/49/35/504484935.db2.gz PSKHMXXBQIDTNJ-UHFFFAOYSA-N -2 3 372.240 3.273 20 0 FGADHL COc1ccc(CN=c2[n-]nc(C(C)(C)C)s2)c(Br)c1[O-] ZINC000545501920 504508128 /nfs/dbraw/zinc/50/81/28/504508128.db2.gz ZRJLZKNTNHHFFH-UHFFFAOYSA-N -2 3 372.288 3.346 20 0 FGADHL CC1([C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])CCCCC1 ZINC000548684226 504527476 /nfs/dbraw/zinc/52/74/76/504527476.db2.gz YBFMJNJUAPWHCQ-LLVKDONJSA-N -2 3 351.877 3.103 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000542722210 504587931 /nfs/dbraw/zinc/58/79/31/504587931.db2.gz BDWMMMXWMPRHEI-CYBMUJFWSA-N -2 3 363.435 3.068 20 0 FGADHL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000562621711 504883348 /nfs/dbraw/zinc/88/33/48/504883348.db2.gz HPHINYWGISOQOB-QGZVFWFLSA-N -2 3 353.418 3.310 20 0 FGADHL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c2ccccc2n1C ZINC000551110052 505159037 /nfs/dbraw/zinc/15/90/37/505159037.db2.gz PZZQBTGCFGBEIP-UHFFFAOYSA-N -2 3 362.382 3.125 20 0 FGADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c(F)ccc([O-])c1F ZINC000554878654 505287756 /nfs/dbraw/zinc/28/77/56/505287756.db2.gz CSOUPVTVSQMJGB-UHFFFAOYSA-N -2 3 355.753 3.450 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000583786317 506970651 /nfs/dbraw/zinc/97/06/51/506970651.db2.gz IVMNBIZONSKEPS-PELKAZGASA-N -2 3 371.402 3.079 20 0 FGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000605495425 507216330 /nfs/dbraw/zinc/21/63/30/507216330.db2.gz BVEAHMMDMYUYBY-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL O=C(Nc1ccc(Br)cc1[O-])c1csc(=NC2CC2)[n-]1 ZINC000532023206 516760671 /nfs/dbraw/zinc/76/06/71/516760671.db2.gz AERSLYADPISAGJ-UHFFFAOYSA-N -2 3 354.229 3.438 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000327416180 599852550 /nfs/dbraw/zinc/85/25/50/599852550.db2.gz XXJIDEHXGFEHBE-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000737868131 600100755 /nfs/dbraw/zinc/10/07/55/600100755.db2.gz MKDNMVIXHRWMPL-UHFFFAOYSA-N -2 3 368.386 3.342 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c(C)c1C ZINC000738063890 600299258 /nfs/dbraw/zinc/29/92/58/600299258.db2.gz MQXUFUOWOAPWST-UHFFFAOYSA-N -2 3 364.423 3.227 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1C ZINC000522668719 600483334 /nfs/dbraw/zinc/48/33/34/600483334.db2.gz PBVZYXUKCDRWGU-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])C[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000833218493 600762687 /nfs/dbraw/zinc/76/26/87/600762687.db2.gz YDDMJQVTBPEEDY-OAHLLOKOSA-N -2 3 351.402 3.490 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1C(=O)[O-] ZINC000324192883 600828937 /nfs/dbraw/zinc/82/89/37/600828937.db2.gz KGTBINMUIZYNEB-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL Cc1nc(-c2ccc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000832991550 601020232 /nfs/dbraw/zinc/02/02/32/601020232.db2.gz VUWFJLBFGQVTAP-AWEZNQCLSA-N -2 3 372.425 3.026 20 0 FGADHL CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000325296852 601234168 /nfs/dbraw/zinc/23/41/68/601234168.db2.gz YSOZBNGQUALIKP-CMPLNLGQSA-N -2 3 361.410 3.156 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000829295329 601808271 /nfs/dbraw/zinc/80/82/71/601808271.db2.gz BWTAQLOYGUCJMM-GFCCVEGCSA-N -2 3 361.410 3.300 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc(F)c1F ZINC000751141742 601830789 /nfs/dbraw/zinc/83/07/89/601830789.db2.gz HTZQQGONVWVKRD-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000403231385 601962202 /nfs/dbraw/zinc/96/22/02/601962202.db2.gz BZODLHILYRRVNT-UHFFFAOYSA-N -2 3 351.827 3.183 20 0 FGADHL O=C([O-])NCc1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000832710666 603387515 /nfs/dbraw/zinc/38/75/15/603387515.db2.gz SGENTKNYWCTVBN-UHFFFAOYSA-N -2 3 350.400 3.199 20 0 FGADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1[O-] ZINC000831209716 604592881 /nfs/dbraw/zinc/59/28/81/604592881.db2.gz IHJVYTIDQNFHIW-VIFPVBQESA-N -2 3 363.322 3.088 20 0 FGADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833211975 604671857 /nfs/dbraw/zinc/67/18/57/604671857.db2.gz QZQFARGUQLYKHW-KRWDZBQOSA-N -2 3 353.418 3.257 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@@H]2C)cc1C(=O)[O-] ZINC000645974851 718256102 /nfs/dbraw/zinc/25/61/02/718256102.db2.gz DDNVZJGQQKYIMS-FVMDXXJSSA-N -2 3 367.398 3.027 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000821089780 729056436 /nfs/dbraw/zinc/05/64/36/729056436.db2.gz OCGKSZAGEJCFOE-HJWRWDBZSA-N -2 3 367.810 3.245 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c1 ZINC000821140241 729063441 /nfs/dbraw/zinc/06/34/41/729063441.db2.gz RCLYKWOPGXULQH-UHFFFAOYSA-N -2 3 370.745 3.119 20 0 FGADHL Cc1sc([C@@H](C)NCc2c([O-])cccc2Br)nc1C(=O)[O-] ZINC000900079145 743061614 /nfs/dbraw/zinc/06/16/14/743061614.db2.gz QEQBDNRXCNAMFY-SSDOTTSWSA-N -2 3 371.256 3.469 20 0 FGADHL CCn1cc(Cl)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000901717353 743626438 /nfs/dbraw/zinc/62/64/38/743626438.db2.gz WWEQLJDUYKMGSJ-UHFFFAOYSA-N -2 3 369.752 3.082 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(Cl)cc1F ZINC000906908242 744170212 /nfs/dbraw/zinc/17/02/12/744170212.db2.gz YCIUYYIETNSTLD-UHFFFAOYSA-N -2 3 371.764 3.034 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000050534598 493920035 /nfs/dbraw/zinc/92/00/35/493920035.db2.gz GFXKQQCNAALAGE-UHFFFAOYSA-N -2 3 370.386 3.373 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000052025550 494000784 /nfs/dbraw/zinc/00/07/84/494000784.db2.gz NSOWACAKUCRPBC-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(C)c1C ZINC000007230220 494008420 /nfs/dbraw/zinc/00/84/20/494008420.db2.gz FVBGTFHWMRHGKM-UHFFFAOYSA-N -2 3 371.466 3.210 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)c(F)c1 ZINC000063009454 494026442 /nfs/dbraw/zinc/02/64/42/494026442.db2.gz AZNWKRVGTDLLKF-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000574199680 505718364 /nfs/dbraw/zinc/71/83/64/505718364.db2.gz ARHDMJKNWRCINT-JTQLQIEISA-N -2 3 361.435 3.026 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(C)c1C(=O)[O-] ZINC000156253766 496198242 /nfs/dbraw/zinc/19/82/42/496198242.db2.gz LBRJRFWNYSVECR-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)ccc1[O-] ZINC000175687816 496500344 /nfs/dbraw/zinc/50/03/44/496500344.db2.gz GTLSQZPUMKZHFY-UHFFFAOYSA-N -2 3 362.451 3.449 20 0 FGADHL COCCCOc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000281825684 498283580 /nfs/dbraw/zinc/28/35/80/498283580.db2.gz GZKQHUUUTQRNPI-VQHVLOKHSA-N -2 3 372.421 3.094 20 0 FGADHL [O-]c1ccc(F)c(CN=c2[n-]nc(CCCc3cccs3)o2)c1F ZINC000578825741 506029405 /nfs/dbraw/zinc/02/94/05/506029405.db2.gz PPZZYHVOOOAVER-UHFFFAOYSA-N -2 3 351.378 3.324 20 0 FGADHL CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1[O-] ZINC000576028670 506059631 /nfs/dbraw/zinc/05/96/31/506059631.db2.gz PETSNMKBLWSXQX-UHFFFAOYSA-N -2 3 371.780 3.392 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000317052477 498790867 /nfs/dbraw/zinc/79/08/67/498790867.db2.gz DBIXUYOADFVASI-OCCSQVGLSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000321198987 498812020 /nfs/dbraw/zinc/81/20/20/498812020.db2.gz GPRRCPRDQOZXNE-LLVKDONJSA-N -2 3 374.245 3.140 20 0 FGADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000321365735 498812629 /nfs/dbraw/zinc/81/26/29/498812629.db2.gz BXPAGDTZLAYYDD-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000321719914 498813922 /nfs/dbraw/zinc/81/39/22/498813922.db2.gz QXOKTENEAYEUGG-MRVPVSSYSA-N -2 3 373.780 3.281 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000325018905 498833009 /nfs/dbraw/zinc/83/30/09/498833009.db2.gz FOCXSHVQACXNDG-UHFFFAOYSA-N -2 3 357.334 3.095 20 0 FGADHL COc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000326958091 498850569 /nfs/dbraw/zinc/85/05/69/498850569.db2.gz CDVAVQLPDDZEFZ-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(=O)[O-] ZINC000392075479 499557804 /nfs/dbraw/zinc/55/78/04/499557804.db2.gz CLTROAAJVPZOOL-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000377632377 499713497 /nfs/dbraw/zinc/71/34/97/499713497.db2.gz UZURBAVADLJVFG-UHFFFAOYSA-N -2 3 359.809 3.486 20 0 FGADHL CCC(CC)(C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000424367334 500492559 /nfs/dbraw/zinc/49/25/59/500492559.db2.gz LLGLKMXVMMSLPO-UHFFFAOYSA-N -2 3 357.403 3.050 20 0 FGADHL CCCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433512844 500706888 /nfs/dbraw/zinc/70/68/88/500706888.db2.gz PBRGLOUJOLIVGB-UHFFFAOYSA-N -3 3 365.407 3.070 20 0 FGADHL CC[C@@](NC(=O)c1cc(OC)ccc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC000436668122 501183635 /nfs/dbraw/zinc/18/36/35/501183635.db2.gz WWGSOQGUVUWRII-SFHVURJKSA-N -2 3 363.797 3.174 20 0 FGADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436695141 501190705 /nfs/dbraw/zinc/19/07/05/501190705.db2.gz KNPDVZXRSUQFBS-UHFFFAOYSA-N -2 3 363.435 3.267 20 0 FGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(Cl)ccc1[O-] ZINC000436789348 501211988 /nfs/dbraw/zinc/21/19/88/501211988.db2.gz BOSLMYFYJPLBQR-UHFFFAOYSA-N -2 3 358.785 3.163 20 0 FGADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1c(F)cccc1F ZINC000436913469 501232021 /nfs/dbraw/zinc/23/20/21/501232021.db2.gz GWBZEBMICDLYRG-UHFFFAOYSA-N -2 3 350.712 3.361 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000486049285 502029692 /nfs/dbraw/zinc/02/96/92/502029692.db2.gz ZVOUPBMDEGNQLG-ZFWWWQNUSA-N -2 3 365.476 3.451 20 0 FGADHL C[C@H](C(=O)Nc1ccc(F)cc1[O-])[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000478864004 502106550 /nfs/dbraw/zinc/10/65/50/502106550.db2.gz KXJPDEAJRYDBFY-UWVGGRQHSA-N -2 3 364.348 3.225 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)cc1C(=O)[O-] ZINC000479541430 502291257 /nfs/dbraw/zinc/29/12/57/502291257.db2.gz VNBLHLWEXGYEGB-UHFFFAOYSA-N -2 3 361.419 3.380 20 0 FGADHL Cc1nc(C=Cc2ccccc2OC(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000470236118 502712506 /nfs/dbraw/zinc/71/25/06/502712506.db2.gz FYPGXBUSGSDDOD-VOTSOKGWSA-N -2 3 354.284 3.187 20 0 FGADHL CCc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)ccc1C ZINC000477341694 502747387 /nfs/dbraw/zinc/74/73/87/502747387.db2.gz YBUYTMKMDVRRQL-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)ccc1F ZINC000507595752 503329016 /nfs/dbraw/zinc/32/90/16/503329016.db2.gz LWQJVOPJLYPOPQ-UHFFFAOYSA-N -2 3 365.382 3.144 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000507757563 503361263 /nfs/dbraw/zinc/36/12/63/503361263.db2.gz VCHGVTFENDBBEB-SECBINFHSA-N -2 3 367.801 3.142 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1csc(-c2ccccc2)n1 ZINC000504298565 503551014 /nfs/dbraw/zinc/55/10/14/503551014.db2.gz HEKJBBDPXWXWOY-UHFFFAOYSA-N -2 3 350.396 3.456 20 0 FGADHL Cc1nc(C=Cc2ccc(OCC(F)(F)F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722792 503608060 /nfs/dbraw/zinc/60/80/60/503608060.db2.gz XAZPFDYMVARUMH-QPJJXVBHSA-N -2 3 368.311 3.229 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2nn(C3CCCCC3)cc2C)c1 ZINC000543162630 503653558 /nfs/dbraw/zinc/65/35/58/503653558.db2.gz RPKVRVDCIARTFI-UHFFFAOYSA-N -2 3 365.455 3.212 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000547546972 504146721 /nfs/dbraw/zinc/14/67/21/504146721.db2.gz DYTKEORYDDRWQF-UHFFFAOYSA-N -2 3 351.449 3.357 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(Cl)cc1F ZINC000547566471 504148511 /nfs/dbraw/zinc/14/85/11/504148511.db2.gz WQQRTRSQSMLHDF-JTQLQIEISA-N -2 3 365.854 3.203 20 0 FGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2csc3ccc(Cl)cc32)o1 ZINC000547608230 504154655 /nfs/dbraw/zinc/15/46/55/504154655.db2.gz XJAMXEITXSEKTF-UHFFFAOYSA-N -2 3 371.823 3.324 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000547616542 504156179 /nfs/dbraw/zinc/15/61/79/504156179.db2.gz SPZHGXXDAVSQAY-VIFPVBQESA-N -2 3 354.255 3.305 20 0 FGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000547885794 504258348 /nfs/dbraw/zinc/25/83/48/504258348.db2.gz YCGQWJFGYXBBBT-UHFFFAOYSA-N -2 3 368.823 3.449 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)CC(=O)[O-] ZINC000547910262 504261148 /nfs/dbraw/zinc/26/11/48/504261148.db2.gz AZDRWIWFHUMRHC-NSHDSACASA-N -2 3 355.843 3.272 20 0 FGADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547912098 504262057 /nfs/dbraw/zinc/26/20/57/504262057.db2.gz HFOYOBHFDQABAB-DGCLKSJQSA-N -2 3 363.838 3.181 20 0 FGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000534880539 504268439 /nfs/dbraw/zinc/26/84/39/504268439.db2.gz RDYQHGWGTIYBHE-UHFFFAOYSA-N -2 3 365.382 3.226 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000519799566 504342917 /nfs/dbraw/zinc/34/29/17/504342917.db2.gz DGFHRUYAYUHDQV-JSGCOSHPSA-N -2 3 366.266 3.305 20 0 FGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC000548243586 504373805 /nfs/dbraw/zinc/37/38/05/504373805.db2.gz AFADTVKENBOSHL-AWEZNQCLSA-N -2 3 371.817 3.282 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1F ZINC000548262508 504377754 /nfs/dbraw/zinc/37/77/54/504377754.db2.gz MPSFBMXHGBBNHX-MEDUHNTESA-N -2 3 369.389 3.014 20 0 FGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548550397 504480851 /nfs/dbraw/zinc/48/08/51/504480851.db2.gz MERRYAIYVXOTEX-INIZCTEOSA-N -2 3 355.843 3.272 20 0 FGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cccc(Cl)c2F)(CC(=O)[O-])C1 ZINC000548555907 504482177 /nfs/dbraw/zinc/48/21/77/504482177.db2.gz RKQGXTJRIWNZJU-MEBBXXQBSA-N -2 3 363.838 3.039 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(Cl)cc1F ZINC000548593295 504487605 /nfs/dbraw/zinc/48/76/05/504487605.db2.gz OGMRZVNWDSPXBN-UHFFFAOYSA-N -2 3 365.854 3.347 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000536412785 504726972 /nfs/dbraw/zinc/72/69/72/504726972.db2.gz XDQUDEOTTAWUNJ-UHFFFAOYSA-N -2 3 365.741 3.327 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)sc1Cl ZINC000556889835 505008005 /nfs/dbraw/zinc/00/80/05/505008005.db2.gz PBWLJBCHNMGCEU-VXGBXAGGSA-N -2 3 371.867 3.301 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1nc(C)cs1 ZINC000566176226 505105012 /nfs/dbraw/zinc/10/50/12/505105012.db2.gz IQBBHGOLOJPJEK-LLVKDONJSA-N -2 3 374.871 3.233 20 0 FGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551999076 505366782 /nfs/dbraw/zinc/36/67/82/505366782.db2.gz FYWIPYNTWHIPMN-QMMMGPOBSA-N -2 3 373.780 3.281 20 0 FGADHL COc1cccc(C(=O)N=c2[nH][n-]c(C)c2-c2cccc(Cl)c2)c1[O-] ZINC000608469703 506577812 /nfs/dbraw/zinc/57/78/12/506577812.db2.gz YCNBHVCPMTZOCQ-UHFFFAOYSA-N -2 3 357.797 3.427 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000609015947 506763588 /nfs/dbraw/zinc/76/35/88/506763588.db2.gz OSARNHVNZCUPDM-UHFFFAOYSA-N -2 3 365.476 3.400 20 0 FGADHL O=C(Nc1c([O-])cccc1F)c1ccc(I)c([O-])c1 ZINC000612833767 506772169 /nfs/dbraw/zinc/77/21/69/506772169.db2.gz IWALEOJISOBIOC-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1c(C)cccc1C ZINC000584111052 507157824 /nfs/dbraw/zinc/15/78/24/507157824.db2.gz IXKGZJBAUIJVIH-LLVKDONJSA-N -2 3 369.464 3.111 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c1 ZINC000584367237 507306392 /nfs/dbraw/zinc/30/63/92/507306392.db2.gz IIDDNBPUSXBXRT-NSHDSACASA-N -2 3 373.452 3.101 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(c2ccccc2)c2ccccc2)o1 ZINC000740175719 599767046 /nfs/dbraw/zinc/76/70/46/599767046.db2.gz WJIFLAIJYXWTHW-UHFFFAOYSA-N -2 3 371.414 3.088 20 0 FGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000737839807 599853347 /nfs/dbraw/zinc/85/33/47/599853347.db2.gz OBIOAWDVMMYDSB-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000327618739 599965560 /nfs/dbraw/zinc/96/55/60/599965560.db2.gz NIAOICQGBXHKDZ-UHFFFAOYSA-N -2 3 362.451 3.340 20 0 FGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3cc(F)ccc3s2)s1 ZINC000739776732 600204813 /nfs/dbraw/zinc/20/48/13/600204813.db2.gz JUFICPKFPMCXBE-UHFFFAOYSA-N -2 3 351.384 3.161 20 0 FGADHL CC(C)Oc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1-c1nnn[n-]1 ZINC000820168804 607440368 /nfs/dbraw/zinc/44/03/68/607440368.db2.gz AXMHDLYPXZZEJO-UHFFFAOYSA-N -2 3 373.800 3.265 20 0 FGADHL CC(C)Oc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1-c1nn[n-]n1 ZINC000820168804 607440370 /nfs/dbraw/zinc/44/03/70/607440370.db2.gz AXMHDLYPXZZEJO-UHFFFAOYSA-N -2 3 373.800 3.265 20 0 FGADHL CC1(C)Cc2ccc(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)c([O-])c2O1 ZINC000828081887 600763692 /nfs/dbraw/zinc/76/36/92/600763692.db2.gz DWAHBGAXBVKLEN-ZDUSSCGKSA-N -2 3 367.401 3.324 20 0 FGADHL CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000325296858 601234276 /nfs/dbraw/zinc/23/42/76/601234276.db2.gz YSOZBNGQUALIKP-ZYHUDNBSSA-N -2 3 361.410 3.156 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1-c1nn[n-]n1 ZINC000826303939 607532327 /nfs/dbraw/zinc/53/23/27/607532327.db2.gz NJQMEDFOKMXMIJ-UHFFFAOYSA-N -2 3 357.439 3.099 20 0 FGADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000740702773 602653387 /nfs/dbraw/zinc/65/33/87/602653387.db2.gz AQCYSPKPNRQDDX-UHFFFAOYSA-N -2 3 361.354 3.265 20 0 FGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000326358477 604790373 /nfs/dbraw/zinc/79/03/73/604790373.db2.gz BUQBIYQTAVPHHN-UHFFFAOYSA-N -2 3 369.345 3.057 20 0 FGADHL O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)Nc1ncccc1[O-] ZINC000022264749 695651542 /nfs/dbraw/zinc/65/15/42/695651542.db2.gz DGCWRRIUTNHHHL-UHFFFAOYSA-N -2 3 361.814 3.000 20 0 FGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1c(F)cccc1Br ZINC000163506055 705315601 /nfs/dbraw/zinc/31/56/01/705315601.db2.gz NHHTXTVQNWXEHC-UHFFFAOYSA-N -2 3 361.174 3.288 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1F ZINC000387347321 713986355 /nfs/dbraw/zinc/98/63/55/713986355.db2.gz WCWXHKFLQVGFSN-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427332874 714019263 /nfs/dbraw/zinc/01/92/63/714019263.db2.gz WBNKQPHUKBDGNB-UHFFFAOYSA-N -2 3 373.789 3.125 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793349069 723427485 /nfs/dbraw/zinc/42/74/85/723427485.db2.gz KTGVFMFLWBDFIG-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793389897 723433178 /nfs/dbraw/zinc/43/31/78/723433178.db2.gz ZAONNPAEWGMHAH-UHFFFAOYSA-N -2 3 369.439 3.496 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1F ZINC000775293739 723978131 /nfs/dbraw/zinc/97/81/31/723978131.db2.gz CUFMQRFPNXNPSI-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL CCSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000800722983 724224798 /nfs/dbraw/zinc/22/47/98/724224798.db2.gz GFXQLJAXOIMKPL-UHFFFAOYSA-N -2 3 372.295 3.113 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000821089561 729056142 /nfs/dbraw/zinc/05/61/42/729056142.db2.gz KQJQHHSMKHONPN-HJWRWDBZSA-N -2 3 367.810 3.245 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000821089559 729056165 /nfs/dbraw/zinc/05/61/65/729056165.db2.gz KQJQHHSMKHONPN-CMDGGOBGSA-N -2 3 367.810 3.245 20 0 FGADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000821163282 729065121 /nfs/dbraw/zinc/06/51/21/729065121.db2.gz NQOKJAKWCRYNLZ-UHFFFAOYSA-N -2 3 370.814 3.049 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)CC(F)(F)F ZINC000840899740 730189252 /nfs/dbraw/zinc/18/92/52/730189252.db2.gz RNRWYQHMYQNRMM-SECBINFHSA-N -2 3 371.352 3.089 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)sc1C(=O)[O-] ZINC000871991318 735571643 /nfs/dbraw/zinc/57/16/43/735571643.db2.gz UMWOSQKJMBRWAH-UHFFFAOYSA-N -2 3 359.391 3.012 20 0 FGADHL Cc1nc(C=Cc2cc(O)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000568456862 505698131 /nfs/dbraw/zinc/69/81/31/505698131.db2.gz OQKVYOXSGYINQH-NSCUHMNNSA-N -2 3 354.284 3.013 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000045946837 494478190 /nfs/dbraw/zinc/47/81/90/494478190.db2.gz DVWBFACFQWWSOZ-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000129740661 495288953 /nfs/dbraw/zinc/28/89/53/495288953.db2.gz WGVQHYFMPBXCDI-NSHDSACASA-N -2 3 366.247 3.159 20 0 FGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000580504652 505773321 /nfs/dbraw/zinc/77/33/21/505773321.db2.gz DJODRNHNLDOYHZ-ZDUSSCGKSA-N -2 3 363.435 3.292 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1nc(C)cs1 ZINC000185008570 496620112 /nfs/dbraw/zinc/62/01/12/496620112.db2.gz JZIBZSNXQWBBSA-NSHDSACASA-N -2 3 374.871 3.233 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000578116840 505865633 /nfs/dbraw/zinc/86/56/33/505865633.db2.gz JIXPIOQLFRAMPN-GWCFXTLKSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1C(=O)[O-] ZINC000579030665 506077729 /nfs/dbraw/zinc/07/77/29/506077729.db2.gz DFLWENRELNFSSZ-AWEZNQCLSA-N -2 3 373.352 3.275 20 0 FGADHL O=C(Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1)C1CC1 ZINC000579029020 506077912 /nfs/dbraw/zinc/07/79/12/506077912.db2.gz UXQYXGLISHBNQV-UHFFFAOYSA-N -2 3 366.826 3.195 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000321528855 498812332 /nfs/dbraw/zinc/81/23/32/498812332.db2.gz IRIBYEAONIZBDF-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(Cl)cc1F ZINC000323932399 498824223 /nfs/dbraw/zinc/82/42/23/498824223.db2.gz REJFZTSPKUOHNT-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000327178004 498853252 /nfs/dbraw/zinc/85/32/52/498853252.db2.gz MZGFZOMWPBBULF-UHFFFAOYSA-N -2 3 363.435 3.167 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1O ZINC000327504744 498859453 /nfs/dbraw/zinc/85/94/53/498859453.db2.gz BLOPVKSSCSMRDV-UHFFFAOYSA-N -2 3 363.435 3.054 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1C ZINC000328361215 498868009 /nfs/dbraw/zinc/86/80/09/498868009.db2.gz IRCTVFCXPQUFGB-GFCCVEGCSA-N -2 3 363.435 3.383 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cc(=O)[n-]3)c2)c(C)o1 ZINC000367581974 499214865 /nfs/dbraw/zinc/21/48/65/499214865.db2.gz HFMIUOMXQDKAAP-UHFFFAOYSA-N -2 3 359.407 3.168 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387933097 499550237 /nfs/dbraw/zinc/55/02/37/499550237.db2.gz DAYMOEPWFIWPOE-NXEZZACHSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000391288076 499556974 /nfs/dbraw/zinc/55/69/74/499556974.db2.gz SSPAUCCSZJFQRP-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(Br)c1F ZINC000410384333 499659122 /nfs/dbraw/zinc/65/91/22/499659122.db2.gz UHJVVMLUWQXVIK-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000377551022 499703990 /nfs/dbraw/zinc/70/39/90/499703990.db2.gz UHCLPMBWFZCLBC-UHFFFAOYSA-N -2 3 361.344 3.111 20 0 FGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C ZINC000421166054 499979518 /nfs/dbraw/zinc/97/95/18/499979518.db2.gz OIKNHVYLTMZGMT-NSHDSACASA-N -2 3 363.863 3.149 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000432046205 500460093 /nfs/dbraw/zinc/46/00/93/500460093.db2.gz HVKJBFIZPMQPOA-UHFFFAOYSA-N -2 3 371.773 3.181 20 0 FGADHL COc1c(F)ccc(F)c1C(=O)[N-]c1n[n-]c(-c2c(F)cccc2F)n1 ZINC000447228580 500578098 /nfs/dbraw/zinc/57/80/98/500578098.db2.gz BYEPGDVDPAIZRM-UHFFFAOYSA-N -2 3 366.274 3.289 20 0 FGADHL COCCCOc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000443451338 500726494 /nfs/dbraw/zinc/72/64/94/500726494.db2.gz GZKQHUUUTQRNPI-CLFYSBASSA-N -2 3 372.421 3.094 20 0 FGADHL Cc1nc(C=Cc2nc3c(s2)C[C@H](C)CC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000443451784 500726730 /nfs/dbraw/zinc/72/67/30/500726730.db2.gz HQCLQOTVBVIPBE-VQCYPWCPSA-N -2 3 359.451 3.260 20 0 FGADHL Cc1nc(C=Cc2cnc(C(F)(F)F)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443454859 500726800 /nfs/dbraw/zinc/72/68/00/500726800.db2.gz PXISJORFRTYZFE-RQOWECAXSA-N -2 3 359.329 3.154 20 0 FGADHL O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cc(C(F)(F)F)ccc1[O-] ZINC000436475074 501133755 /nfs/dbraw/zinc/13/37/55/501133755.db2.gz FGSVDOJQVWMNSL-UHFFFAOYSA-N -2 3 359.325 3.147 20 0 FGADHL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476977 501134545 /nfs/dbraw/zinc/13/45/45/501134545.db2.gz KSTGJCGDXNAQDX-UHFFFAOYSA-N -2 3 371.340 3.397 20 0 FGADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c([O-])c1 ZINC000436647840 501178171 /nfs/dbraw/zinc/17/81/71/501178171.db2.gz LWVRKFJLEDWHSF-AWEZNQCLSA-N -2 3 364.195 3.019 20 0 FGADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc2c(c1[O-])CCCC2 ZINC000436687569 501188716 /nfs/dbraw/zinc/18/87/16/501188716.db2.gz RNXQJQZSPLMPOG-UHFFFAOYSA-N -2 3 350.378 3.014 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccc(F)cc1F ZINC000582484929 506249869 /nfs/dbraw/zinc/24/98/69/506249869.db2.gz UWKQHBUUCNGFSW-CYBMUJFWSA-N -2 3 373.377 3.302 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(C)(C)O2 ZINC000469056584 502280733 /nfs/dbraw/zinc/28/07/33/502280733.db2.gz VOADARKUSLQFPA-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000466290503 502528231 /nfs/dbraw/zinc/52/82/31/502528231.db2.gz SEVYXIVIZYJJLX-UHFFFAOYSA-N -2 3 373.434 3.425 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2csc3ccccc23)ccc1[O-] ZINC000484175462 502593818 /nfs/dbraw/zinc/59/38/18/502593818.db2.gz QUBRCEBIBWEGLE-UHFFFAOYSA-N -2 3 362.432 3.366 20 0 FGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)on1 ZINC000505798152 502988099 /nfs/dbraw/zinc/98/80/99/502988099.db2.gz YTKXCZWKSWOIPI-UHFFFAOYSA-N -2 3 366.439 3.063 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1Cl ZINC000507612484 503332018 /nfs/dbraw/zinc/33/20/18/503332018.db2.gz CUKNLROZBYJOMU-UHFFFAOYSA-N -2 3 369.826 3.410 20 0 FGADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504508594 503582252 /nfs/dbraw/zinc/58/22/52/503582252.db2.gz WTNZNXBWRGWCIC-UHFFFAOYSA-N -2 3 369.826 3.303 20 0 FGADHL Cc1nc(C=Cc2cc(F)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504732736 503609974 /nfs/dbraw/zinc/60/99/74/503609974.db2.gz RLSMYMOKJWIWGR-NSCUHMNNSA-N -2 3 356.275 3.446 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1 ZINC000543167217 503654779 /nfs/dbraw/zinc/65/47/79/503654779.db2.gz ZYZKLIUIUNFHDT-GFCCVEGCSA-N -2 3 363.435 3.383 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1 ZINC000530145959 503854102 /nfs/dbraw/zinc/85/41/02/503854102.db2.gz WAEKLBVFYUCVKK-UHFFFAOYSA-N -2 3 363.435 3.096 20 0 FGADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)c(F)c([O-])c1F ZINC000544557753 504174208 /nfs/dbraw/zinc/17/42/08/504174208.db2.gz HPWWONWSOXTNIV-UHFFFAOYSA-N -2 3 369.249 3.152 20 0 FGADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547912097 504261851 /nfs/dbraw/zinc/26/18/51/504261851.db2.gz HFOYOBHFDQABAB-AAEUAGOBSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c(F)cc1F ZINC000547933778 504264929 /nfs/dbraw/zinc/26/49/29/504264929.db2.gz OMEBLBUACGALQT-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c1Cl ZINC000548213436 504370122 /nfs/dbraw/zinc/37/01/22/504370122.db2.gz WMCLIEQLLNJLMN-HZMBPMFUSA-N -2 3 366.266 3.224 20 0 FGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(N(C)C)c2)c(C(=O)[O-])c1 ZINC000548524686 504477567 /nfs/dbraw/zinc/47/75/67/504477567.db2.gz ROOHCLKRDOAVKE-UHFFFAOYSA-N -2 3 362.451 3.177 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)c1 ZINC000548588630 504486124 /nfs/dbraw/zinc/48/61/24/504486124.db2.gz TZDAQGMEINOTBI-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548619387 504498208 /nfs/dbraw/zinc/49/82/08/504498208.db2.gz ZCNRITSAGPXJLW-MRVPVSSYSA-N -2 3 371.352 3.012 20 0 FGADHL Cn1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)cc1C(=O)[O-] ZINC000542732908 504590756 /nfs/dbraw/zinc/59/07/56/504590756.db2.gz HTWMKSZXGVXFFC-UHFFFAOYSA-N -2 3 364.757 3.115 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1CC ZINC000535991642 504601424 /nfs/dbraw/zinc/60/14/24/504601424.db2.gz SWQZKLJOAKZREU-UHFFFAOYSA-N -2 3 351.399 3.450 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(C)c1 ZINC000536389906 504720526 /nfs/dbraw/zinc/72/05/26/504720526.db2.gz WYYLRHQRJBXFBE-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560415925 505077552 /nfs/dbraw/zinc/07/75/52/505077552.db2.gz IVSJKIUZRVFXCT-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551999075 505366718 /nfs/dbraw/zinc/36/67/18/505366718.db2.gz FYWIPYNTWHIPMN-MRVPVSSYSA-N -2 3 373.780 3.281 20 0 FGADHL O=C(Cc1csc2ccc(Br)cc12)N=c1ccc([O-])n[n-]1 ZINC000471152667 514775081 /nfs/dbraw/zinc/77/50/81/514775081.db2.gz UWVJXWXEWUSOJQ-UHFFFAOYSA-N -2 3 364.224 3.341 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(CC(F)(F)F)s3)n[n-]2)o1 ZINC000484954420 514854483 /nfs/dbraw/zinc/85/44/83/514854483.db2.gz PLLWDFSSKIZTFU-UHFFFAOYSA-N -2 3 357.317 3.187 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(CC(F)(F)F)s3)[n-]n2)o1 ZINC000484954420 514854493 /nfs/dbraw/zinc/85/44/93/514854493.db2.gz PLLWDFSSKIZTFU-UHFFFAOYSA-N -2 3 357.317 3.187 20 0 FGADHL CCN(C(=O)c1c([O-])cc(F)cc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155201 599456722 /nfs/dbraw/zinc/45/67/22/599456722.db2.gz XJODGHWIAHZYNE-SNVBAGLBSA-N -2 3 373.363 3.074 20 0 FGADHL CCN(C(=O)c1c([O-])cc(F)cc1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155201 599456724 /nfs/dbraw/zinc/45/67/24/599456724.db2.gz XJODGHWIAHZYNE-SNVBAGLBSA-N -2 3 373.363 3.074 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2)o1 ZINC000740172689 599766772 /nfs/dbraw/zinc/76/67/72/599766772.db2.gz DSAIZHTXJTYBLE-MRXNPFEDSA-N -2 3 371.414 3.240 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000740175279 599778521 /nfs/dbraw/zinc/77/85/21/599778521.db2.gz LDZCIUWZJQCFKJ-UHFFFAOYSA-N -2 3 369.826 3.031 20 0 FGADHL O=C([O-])CSCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000739871864 599953183 /nfs/dbraw/zinc/95/31/83/599953183.db2.gz OOYRNSDCTJDKFW-UHFFFAOYSA-N -2 3 368.414 3.098 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2)c(OC(F)F)c1 ZINC000740155319 600237809 /nfs/dbraw/zinc/23/78/09/600237809.db2.gz RNCUDMPSUJIVCU-HJWRWDBZSA-N -2 3 369.345 3.399 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000833027727 601214887 /nfs/dbraw/zinc/21/48/87/601214887.db2.gz IZRJIUQDTKSVQX-LLVKDONJSA-N -2 3 359.403 3.479 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cc1 ZINC000833323567 601251655 /nfs/dbraw/zinc/25/16/55/601251655.db2.gz OCOWWZAUAKZZAZ-UHFFFAOYSA-N -2 3 371.418 3.329 20 0 FGADHL O=C([O-])NC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000740586610 602027534 /nfs/dbraw/zinc/02/75/34/602027534.db2.gz NEVYRGOWXYKLEM-UHFFFAOYSA-N -2 3 368.433 3.050 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](NC(=O)[O-])[C@@H](C)CC)c2)n1 ZINC000739536940 602128447 /nfs/dbraw/zinc/12/84/47/602128447.db2.gz WUACDIOOWSNJRW-ZBEGNZNMSA-N -2 3 372.425 3.032 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1NC(=O)[O-] ZINC000739925775 602665282 /nfs/dbraw/zinc/66/52/82/602665282.db2.gz UHVIXMOFRSPXKS-UHFFFAOYSA-N -2 3 354.359 3.033 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CCCC[C@@H]3CNC(=O)[O-])nc2)n1 ZINC000827556865 603199062 /nfs/dbraw/zinc/19/90/62/603199062.db2.gz OCDJDIYCVAATTD-IUODEOHRSA-N -2 3 371.441 3.045 20 0 FGADHL O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1F ZINC000833150729 604303338 /nfs/dbraw/zinc/30/33/38/604303338.db2.gz OZDJAVLTXBUGAN-UHFFFAOYSA-N -2 3 354.131 3.244 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000833662901 604745753 /nfs/dbraw/zinc/74/57/53/604745753.db2.gz LXTPODZRPKGDKI-UHFFFAOYSA-N -2 3 353.371 3.032 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c1 ZINC000775672118 605239145 /nfs/dbraw/zinc/23/91/45/605239145.db2.gz FIKZEPQIOWBUPS-UHFFFAOYSA-N -3 3 373.386 3.053 20 0 FGADHL O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Cl)c2ccccc2c1[O-] ZINC000823379883 607107319 /nfs/dbraw/zinc/10/73/19/607107319.db2.gz MNPIQVLOGQUEJR-UHFFFAOYSA-N -2 3 372.797 3.088 20 0 FGADHL O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Cl)c2ccccc2c1[O-] ZINC000823379883 607107322 /nfs/dbraw/zinc/10/73/22/607107322.db2.gz MNPIQVLOGQUEJR-UHFFFAOYSA-N -2 3 372.797 3.088 20 0 FGADHL Cc1c(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822061340 607251955 /nfs/dbraw/zinc/25/19/55/607251955.db2.gz MPPMDWGPZHQMMD-IBGZPJMESA-N -2 3 371.441 3.175 20 0 FGADHL Cc1c(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822061340 607251956 /nfs/dbraw/zinc/25/19/56/607251956.db2.gz MPPMDWGPZHQMMD-IBGZPJMESA-N -2 3 371.441 3.175 20 0 FGADHL Cc1cccc(-c2nc(=NCc3cc(=O)[n-]c(C4CCC4)n3)s[n-]2)c1 ZINC000641681829 717919656 /nfs/dbraw/zinc/91/96/56/717919656.db2.gz SHRYCHOMTJBVKN-UHFFFAOYSA-N -2 3 353.451 3.311 20 0 FGADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000262450770 713725871 /nfs/dbraw/zinc/72/58/71/713725871.db2.gz QYFJBAJJNSFCPV-LBPRGKRZSA-N -2 3 373.883 3.156 20 0 FGADHL CC(C)(C(=O)[O-])n1cc([N-]c2nnc(Cc3ccc(F)cc3)s2)cn1 ZINC000662895318 720466370 /nfs/dbraw/zinc/46/63/70/720466370.db2.gz IVPOPVNNZRANDT-UHFFFAOYSA-N -2 3 361.402 3.028 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000663421622 720511649 /nfs/dbraw/zinc/51/16/49/720511649.db2.gz WEQZIEPAWHLGFS-LBPRGKRZSA-N -2 3 367.423 3.113 20 0 FGADHL CSc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000677746176 721913720 /nfs/dbraw/zinc/91/37/20/721913720.db2.gz HWGUTSCDJFLYRA-UHFFFAOYSA-N -2 3 355.412 3.355 20 0 FGADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793387716 723432967 /nfs/dbraw/zinc/43/29/67/723432967.db2.gz FXWWKLXWTSVRSX-NSHDSACASA-N -2 3 367.398 3.341 20 0 FGADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000828209038 729441128 /nfs/dbraw/zinc/44/11/28/729441128.db2.gz FQGDJIXBXIAEGV-UHFFFAOYSA-N -2 3 368.220 3.392 20 0 FGADHL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909768720 744389671 /nfs/dbraw/zinc/38/96/71/744389671.db2.gz WJVNZMXDVRRTSQ-MRXNPFEDSA-N -2 3 353.296 3.025 20 0 FGADHL O=C([O-])c1csc([C@@H]2CCCN2C(=O)c2cc([O-])ccc2Cl)n1 ZINC000910109862 744418484 /nfs/dbraw/zinc/41/84/84/744418484.db2.gz LFIXGDVHAOKVRA-LBPRGKRZSA-N -2 3 352.799 3.178 20 0 FGADHL COCc1ccccc1CS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000577134428 505671258 /nfs/dbraw/zinc/67/12/58/505671258.db2.gz HHNTUOCMVLGBNL-UHFFFAOYSA-N -2 3 369.826 3.127 20 0 FGADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000116349457 494766123 /nfs/dbraw/zinc/76/61/23/494766123.db2.gz ZMVFFMOIGLIJNS-UHFFFAOYSA-N -2 3 366.768 3.427 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000136738815 495399035 /nfs/dbraw/zinc/39/90/35/495399035.db2.gz HTHOAZNERAPQBU-LLVKDONJSA-N -2 3 354.255 3.161 20 0 FGADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000179616250 495662133 /nfs/dbraw/zinc/66/21/33/495662133.db2.gz VRUZXDGSEJACHZ-UHFFFAOYSA-N -2 3 370.430 3.478 20 0 FGADHL Cc1cc(Cl)cc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c1[O-] ZINC000179806479 495741799 /nfs/dbraw/zinc/74/17/99/495741799.db2.gz OQKADFHAPREFTD-UHFFFAOYSA-N -2 3 372.805 3.117 20 0 FGADHL Cc1cccc(CS(=O)(=O)[N-]c2n[n-]c(SCc3ccccc3)n2)c1 ZINC000186606624 496070434 /nfs/dbraw/zinc/07/04/34/496070434.db2.gz OFOITOJSGJQPQV-UHFFFAOYSA-N -2 3 374.491 3.347 20 0 FGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000184649138 496479648 /nfs/dbraw/zinc/47/96/48/496479648.db2.gz JXOWZRYDVDQZNP-ZDUSSCGKSA-N -2 3 359.447 3.239 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1nc(C)cs1 ZINC000185007096 496619416 /nfs/dbraw/zinc/61/94/16/496619416.db2.gz VVWIMXYVNYDSOP-LBPRGKRZSA-N -2 3 374.871 3.233 20 0 FGADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000188490684 496807533 /nfs/dbraw/zinc/80/75/33/496807533.db2.gz ZBEYDTNTOMANGM-UHFFFAOYSA-N -2 3 360.204 3.403 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000569194989 505873836 /nfs/dbraw/zinc/87/38/36/505873836.db2.gz JIXNHGGDNAPFPW-GWCFXTLKSA-N -2 3 363.838 3.181 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC[C@H](C(=O)[O-])CC3)c2)n1 ZINC000262744340 497613121 /nfs/dbraw/zinc/61/31/21/497613121.db2.gz XASOOJCGYLAYAP-JOCQHMNTSA-N -2 3 369.421 3.241 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c(F)c1 ZINC000296941282 498259752 /nfs/dbraw/zinc/25/97/52/498259752.db2.gz MGLPUTGUHJGJGR-SNVBAGLBSA-N -2 3 351.346 3.091 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c1 ZINC000297008627 498286008 /nfs/dbraw/zinc/28/60/08/498286008.db2.gz RMRPWPTUBJSKNF-JTQLQIEISA-N -2 3 351.346 3.091 20 0 FGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1 ZINC000578914722 506050334 /nfs/dbraw/zinc/05/03/34/506050334.db2.gz OOEMFNZLGCDBTO-SNVBAGLBSA-N -2 3 369.817 3.098 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(F)c1 ZINC000325098132 498834638 /nfs/dbraw/zinc/83/46/38/498834638.db2.gz QJUUWFBRLPJHML-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1C(=O)[O-] ZINC000391830536 499557552 /nfs/dbraw/zinc/55/75/52/499557552.db2.gz RQOINYLKGLEGMN-UHFFFAOYSA-N -2 3 367.448 3.306 20 0 FGADHL COc1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1C(=O)[O-] ZINC000393201296 499559859 /nfs/dbraw/zinc/55/98/59/499559859.db2.gz HKASHUVANZKELW-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]ncn1Cc1ccccc1 ZINC000579456195 506179237 /nfs/dbraw/zinc/17/92/37/506179237.db2.gz DTTGVAVZJRVTKI-UHFFFAOYSA-N -2 3 350.422 3.138 20 0 FGADHL Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc2s1 ZINC000427273558 500375998 /nfs/dbraw/zinc/37/59/98/500375998.db2.gz GRXHQYXOUOMMDS-UHFFFAOYSA-N -2 3 366.395 3.243 20 0 FGADHL COc1cc2c(c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c1)O[C@H](C)C2 ZINC000443443960 500725306 /nfs/dbraw/zinc/72/53/06/500725306.db2.gz NXPHOGWVDBWYDG-VLWUPBBWSA-N -2 3 370.405 3.010 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000435726895 501019088 /nfs/dbraw/zinc/01/90/88/501019088.db2.gz CCOFCUVXVCGTJW-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000436889449 501227931 /nfs/dbraw/zinc/22/79/31/501227931.db2.gz BTZUDVGVNHJOKU-UHFFFAOYSA-N -2 3 365.798 3.134 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1OC(C)C ZINC000481962993 501931000 /nfs/dbraw/zinc/93/10/00/501931000.db2.gz JFXVBXHEURCBSH-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000462385855 502416333 /nfs/dbraw/zinc/41/63/33/502416333.db2.gz YUCXKZJJRYNJQK-AWEZNQCLSA-N -2 3 355.843 3.415 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000498015615 503087614 /nfs/dbraw/zinc/08/76/14/503087614.db2.gz LWVBUKUKWUSKGK-UHFFFAOYSA-N -2 3 370.377 3.284 20 0 FGADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504565596 503589238 /nfs/dbraw/zinc/58/92/38/503589238.db2.gz HUXAARQQIMQAFU-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL Cc1nc(C=Cc2cn(C)nc2C2CCCCC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728345 503608931 /nfs/dbraw/zinc/60/89/31/503608931.db2.gz BTDBIQCQBCDIMG-HJWRWDBZSA-N -2 3 356.426 3.069 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000536674613 503673493 /nfs/dbraw/zinc/67/34/93/503673493.db2.gz IWCXJYBJQDPCCU-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3nc(-c4ccsc4)[n-]s3)[n-]n2)o1 ZINC000530866911 504113201 /nfs/dbraw/zinc/11/32/01/504113201.db2.gz ATKWVWDGUFJLER-UHFFFAOYSA-N -2 3 357.420 3.232 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3nc(-c4ccsc4)[n-]s3)n[n-]2)o1 ZINC000530866911 504113205 /nfs/dbraw/zinc/11/32/05/504113205.db2.gz ATKWVWDGUFJLER-UHFFFAOYSA-N -2 3 357.420 3.232 20 0 FGADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000547541913 504143695 /nfs/dbraw/zinc/14/36/95/504143695.db2.gz MRDAVCTZZGOMMJ-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000547541914 504144122 /nfs/dbraw/zinc/14/41/22/504144122.db2.gz MWINJRNKJJRECI-UHFFFAOYSA-N -2 3 361.753 3.258 20 0 FGADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000547550435 504146176 /nfs/dbraw/zinc/14/61/76/504146176.db2.gz HNVKIRRXWXKBQM-UHFFFAOYSA-N -2 3 356.831 3.172 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000547574732 504150062 /nfs/dbraw/zinc/15/00/62/504150062.db2.gz AFVRZDHOMIZYRI-VIFPVBQESA-N -2 3 354.255 3.305 20 0 FGADHL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)CC(=O)[O-] ZINC000547611896 504155845 /nfs/dbraw/zinc/15/58/45/504155845.db2.gz XGJBOUAHBVJYQQ-LLVKDONJSA-N -2 3 355.843 3.272 20 0 FGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000547638647 504164952 /nfs/dbraw/zinc/16/49/52/504164952.db2.gz WQPBQVDKFIIYIM-QMMMGPOBSA-N -2 3 354.255 3.161 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000544645272 504203329 /nfs/dbraw/zinc/20/33/29/504203329.db2.gz KYTKVEPFVUSABE-ZDUSSCGKSA-N -2 3 363.435 3.149 20 0 FGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000547880621 504256554 /nfs/dbraw/zinc/25/65/54/504256554.db2.gz UHBUIHQJJWBNBJ-UHFFFAOYSA-N -2 3 356.403 3.351 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000547901215 504260269 /nfs/dbraw/zinc/26/02/69/504260269.db2.gz QEQOJSGDPMCKGE-LBPRGKRZSA-N -2 3 368.480 3.122 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccsc1 ZINC000547933815 504264744 /nfs/dbraw/zinc/26/47/44/504264744.db2.gz QDJXHGCGFLYQLJ-CYBMUJFWSA-N -2 3 369.395 3.046 20 0 FGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000547932627 504265342 /nfs/dbraw/zinc/26/53/42/504265342.db2.gz HCTJQNMLBYNFOW-LBPRGKRZSA-N -2 3 371.817 3.016 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547937797 504266075 /nfs/dbraw/zinc/26/60/75/504266075.db2.gz FSPHNHFBXZDWQL-UWVGGRQHSA-N -2 3 351.827 3.037 20 0 FGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000547938296 504266318 /nfs/dbraw/zinc/26/63/18/504266318.db2.gz PSUABTVXLWMITI-JQWIXIFHSA-N -2 3 367.389 3.263 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000548199366 504367792 /nfs/dbraw/zinc/36/77/92/504367792.db2.gz SQXIBTIZNIBORL-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)CC(=O)[O-] ZINC000548262269 504376739 /nfs/dbraw/zinc/37/67/39/504376739.db2.gz DRHHSMNTBKQCCG-SNVBAGLBSA-N -2 3 359.831 3.174 20 0 FGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000548264641 504377760 /nfs/dbraw/zinc/37/77/60/504377760.db2.gz OZACWPSJZTVEAB-CABZTGNLSA-N -2 3 351.827 3.037 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C(=O)[O-])c1 ZINC000548268370 504378858 /nfs/dbraw/zinc/37/88/58/504378858.db2.gz NXQIEBGSQUBNQA-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c1Cl ZINC000548545530 504480097 /nfs/dbraw/zinc/48/00/97/504480097.db2.gz YCVKEVJILKGKRC-MRVPVSSYSA-N -2 3 354.255 3.081 20 0 FGADHL Cc1ccc(-c2nnc(NC(=O)c3cccc(Br)c3[O-])[n-]2)o1 ZINC000531936755 504480466 /nfs/dbraw/zinc/48/04/66/504480466.db2.gz ZHROBGUOKZDLTD-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(Br)c3[O-])n2)o1 ZINC000531936755 504480469 /nfs/dbraw/zinc/48/04/69/504480469.db2.gz ZHROBGUOKZDLTD-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3[O-])n[n-]2)o1 ZINC000531936755 504480474 /nfs/dbraw/zinc/48/04/74/504480474.db2.gz ZHROBGUOKZDLTD-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2n[n-]c(=NCCc3ccccc3)s2)n1 ZINC000532012671 504504346 /nfs/dbraw/zinc/50/43/46/504504346.db2.gz LMBVEWGBZNIZLD-GFCCVEGCSA-N -2 3 373.507 3.272 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c1Cl ZINC000548981750 504643455 /nfs/dbraw/zinc/64/34/55/504643455.db2.gz IDZPYKDPHXDTHN-UFBFGSQYSA-N -2 3 366.266 3.079 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1OCC ZINC000536611059 504769476 /nfs/dbraw/zinc/76/94/76/504769476.db2.gz ITZCYQSYBPYELH-UHFFFAOYSA-N -2 3 355.387 3.130 20 0 FGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000566654264 505232982 /nfs/dbraw/zinc/23/29/82/505232982.db2.gz NHSVGPHYCSPDFU-AWEZNQCLSA-N -2 3 355.843 3.271 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583737362 506943736 /nfs/dbraw/zinc/94/37/36/506943736.db2.gz QCMUOZLNPXHLFB-QMTHXVAHSA-N -2 3 363.838 3.181 20 0 FGADHL C[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000583934810 507059405 /nfs/dbraw/zinc/05/94/05/507059405.db2.gz XBAXSZWKUVLTSI-KDOFPFPSSA-N -2 3 353.418 3.166 20 0 FGADHL O=c1[n-]c(-c2cccc(I)c2)nc2ccc([O-])cc12 ZINC000611509072 507712920 /nfs/dbraw/zinc/71/29/20/507712920.db2.gz YOAQGMGMRNHTOV-UHFFFAOYSA-N -2 3 364.142 3.313 20 0 FGADHL O=C([O-])CSCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000821536444 598147739 /nfs/dbraw/zinc/14/77/39/598147739.db2.gz FXZSRKIALMTOLS-UHFFFAOYSA-N -2 3 374.443 3.425 20 0 FGADHL COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)c([O-])c1 ZINC000737922353 599848769 /nfs/dbraw/zinc/84/87/69/599848769.db2.gz LEKXSTFFKZEGHG-HNNXBMFYSA-N -2 3 361.419 3.069 20 0 FGADHL COc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c([O-])c1 ZINC000737926391 599882098 /nfs/dbraw/zinc/88/20/98/599882098.db2.gz XAHYPNDXOCCOCU-UHFFFAOYSA-N -2 3 357.387 3.244 20 0 FGADHL O=C([O-])c1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000739256277 600063111 /nfs/dbraw/zinc/06/31/11/600063111.db2.gz PWANEHBMIHUFPO-UHFFFAOYSA-N -2 3 364.195 3.424 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)cc1F ZINC000740090610 600230005 /nfs/dbraw/zinc/23/00/05/600230005.db2.gz ZTYYRHVVFQEZSK-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL CC(C)c1ccc(CCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736514102 600263650 /nfs/dbraw/zinc/26/36/50/600263650.db2.gz MIGOWGRYZXRWRZ-UHFFFAOYSA-N -2 3 351.424 3.012 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737035140 600302414 /nfs/dbraw/zinc/30/24/14/600302414.db2.gz XHWPKYMWOFZQAN-UHFFFAOYSA-N -2 3 364.423 3.044 20 0 FGADHL O=C([O-])CCCN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000739672555 600317195 /nfs/dbraw/zinc/31/71/95/600317195.db2.gz RCJUPXUSWNCELH-UHFFFAOYSA-N -2 3 357.435 3.264 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000737268311 600488032 /nfs/dbraw/zinc/48/80/32/600488032.db2.gz XGIWQHCVRSCOHQ-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(C)c1 ZINC000738654839 600489322 /nfs/dbraw/zinc/48/93/22/600489322.db2.gz IKPCAQYTDUUGIV-UHFFFAOYSA-N -2 3 363.435 3.348 20 0 FGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000321203566 600775441 /nfs/dbraw/zinc/77/54/41/600775441.db2.gz HIPRIBOTPKUDAT-LBPRGKRZSA-N -2 3 374.245 3.140 20 0 FGADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000736299531 601047126 /nfs/dbraw/zinc/04/71/26/601047126.db2.gz NIGRMOXDJHEASJ-UHFFFAOYSA-N -2 3 363.435 3.248 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000392194404 601325752 /nfs/dbraw/zinc/32/57/52/601325752.db2.gz QLEFGELZEGXXNO-IZZDOVSWSA-N -2 3 361.419 3.292 20 0 FGADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000324183730 601359827 /nfs/dbraw/zinc/35/98/27/601359827.db2.gz IIDXIMQAHCZSDP-UHFFFAOYSA-N -2 3 372.805 3.044 20 0 FGADHL O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000740624894 603195478 /nfs/dbraw/zinc/19/54/78/603195478.db2.gz OHNOUWBOOZANRE-CQSZACIVSA-N -2 3 370.405 3.304 20 0 FGADHL CC1=C(C(=O)[O-])[C@@H](c2ccc([O-])c(F)c2)NC(=O)N1Cc1ccccc1 ZINC000833576113 604554756 /nfs/dbraw/zinc/55/47/56/604554756.db2.gz GKDSOQZLIYVDPP-QGZVFWFLSA-N -2 3 356.353 3.156 20 0 FGADHL O=C([O-])CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2o1 ZINC000823387716 606389856 /nfs/dbraw/zinc/38/98/56/606389856.db2.gz VPQREFNNJLTGBJ-CLFYSBASSA-N -2 3 353.363 3.085 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000654779525 719231159 /nfs/dbraw/zinc/23/11/59/719231159.db2.gz OFABGGVYSDZZGX-ZJUUUORDSA-N -2 3 351.877 3.103 20 0 FGADHL O=C(Nc1c([O-])cccc1F)c1cccc(I)c1[O-] ZINC000755616565 722955096 /nfs/dbraw/zinc/95/50/96/722955096.db2.gz RMQMOZYMOVXOOD-UHFFFAOYSA-N -2 3 373.121 3.094 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767736007 723631846 /nfs/dbraw/zinc/63/18/46/723631846.db2.gz OFDRXUOFWVYRAA-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC000823775992 729303998 /nfs/dbraw/zinc/30/39/98/729303998.db2.gz CMVPPQWEFFFOLN-UHFFFAOYSA-N -2 3 356.209 3.168 20 0 FGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000573775424 505617449 /nfs/dbraw/zinc/61/74/49/505617449.db2.gz NAFKMQBDAFREFK-LLVKDONJSA-N -2 3 361.872 3.332 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000573892037 505644731 /nfs/dbraw/zinc/64/47/31/505644731.db2.gz YRDCZXFDFAVXMM-BDAKNGLRSA-N -2 3 373.418 3.325 20 0 FGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000007709240 494037199 /nfs/dbraw/zinc/03/71/99/494037199.db2.gz YVIFUSDLNWGGRZ-GFCCVEGCSA-N -2 3 357.439 3.181 20 0 FGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000007709240 494037201 /nfs/dbraw/zinc/03/72/01/494037201.db2.gz YVIFUSDLNWGGRZ-GFCCVEGCSA-N -2 3 357.439 3.181 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccccc2Cl)on1 ZINC000054572899 494247302 /nfs/dbraw/zinc/24/73/02/494247302.db2.gz YSVFWXHRPAQJOJ-UHFFFAOYSA-N -2 3 357.679 3.384 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H](OC)c1ccccc1 ZINC000571393229 505722229 /nfs/dbraw/zinc/72/22/29/505722229.db2.gz JUAJZRMDQYXAJA-KRWDZBQOSA-N -2 3 363.435 3.077 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(F)cc1Br ZINC000131531370 494648450 /nfs/dbraw/zinc/64/84/50/494648450.db2.gz VSPGAFOVPRHVGT-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c([O-])cccc3F)c2)n1 ZINC000119984816 495282571 /nfs/dbraw/zinc/28/25/71/495282571.db2.gz YIBSHGRMGUYETA-UHFFFAOYSA-N -2 3 353.353 3.096 20 0 FGADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)s1 ZINC000185097650 496659769 /nfs/dbraw/zinc/65/97/69/496659769.db2.gz OKTHRYVQXUZKAM-VIFPVBQESA-N -2 3 374.871 3.151 20 0 FGADHL Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000237841105 497300292 /nfs/dbraw/zinc/30/02/92/497300292.db2.gz WKWHBPYPANUVMK-UHFFFAOYSA-N -2 3 367.323 3.446 20 0 FGADHL O=C([O-])C1CCC(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000263415872 497778777 /nfs/dbraw/zinc/77/87/77/497778777.db2.gz JXYOHUGRFSGZIS-UHFFFAOYSA-N -2 3 369.417 3.344 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000319500405 498803714 /nfs/dbraw/zinc/80/37/14/498803714.db2.gz ZUHNQVWZEHEUGO-MGCOHNPYSA-N -2 3 366.266 3.163 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1 ZINC000322097560 498814997 /nfs/dbraw/zinc/81/49/97/498814997.db2.gz VBICNADDWORKRO-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325602276 498838607 /nfs/dbraw/zinc/83/86/07/498838607.db2.gz OXAIQHPZCTVFJO-SNVBAGLBSA-N -2 3 367.389 3.263 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(Cl)c1 ZINC000390007371 499553606 /nfs/dbraw/zinc/55/36/06/499553606.db2.gz RURNOLYZSPRVRJ-JTQLQIEISA-N -2 3 367.801 3.142 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000399482666 499568274 /nfs/dbraw/zinc/56/82/74/499568274.db2.gz YEJXHVKGMHZIMQ-LDYMZIIASA-N -2 3 354.255 3.017 20 0 FGADHL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000410401997 499660444 /nfs/dbraw/zinc/66/04/44/499660444.db2.gz OIDQQMSXXSBQEB-UHFFFAOYSA-N -3 3 364.423 3.102 20 0 FGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000414322020 499777701 /nfs/dbraw/zinc/77/77/01/499777701.db2.gz FBPZZZMZTVMBMK-UWVGGRQHSA-N -2 3 369.361 3.076 20 0 FGADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cc1)C(=O)[O-] ZINC000421143890 499970333 /nfs/dbraw/zinc/97/03/33/499970333.db2.gz AZAFVRPQMSSDQT-WBVHZDCISA-N -2 3 371.499 3.143 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CCC(C)(C)C)C(=O)[O-])nc2)n1 ZINC000416441416 500044713 /nfs/dbraw/zinc/04/47/13/500044713.db2.gz QYVOZOPHOJMDAL-CQSZACIVSA-N -2 3 358.442 3.498 20 0 FGADHL O=C([O-])COc1cccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c1 ZINC000432704514 500550918 /nfs/dbraw/zinc/55/09/18/500550918.db2.gz DDKMKQUAXCRUOG-ATVHPVEESA-N -2 3 362.385 3.017 20 0 FGADHL COc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c([O-])c1 ZINC000436662784 501181262 /nfs/dbraw/zinc/18/12/62/501181262.db2.gz CVXOWBSYHSAARP-UHFFFAOYSA-N -2 3 350.334 3.184 20 0 FGADHL COc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c([O-])c1 ZINC000436662784 501181264 /nfs/dbraw/zinc/18/12/64/501181264.db2.gz CVXOWBSYHSAARP-UHFFFAOYSA-N -2 3 350.334 3.184 20 0 FGADHL COc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c([O-])c1 ZINC000436662784 501181268 /nfs/dbraw/zinc/18/12/68/501181268.db2.gz CVXOWBSYHSAARP-UHFFFAOYSA-N -2 3 350.334 3.184 20 0 FGADHL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436926041 501233941 /nfs/dbraw/zinc/23/39/41/501233941.db2.gz LJOZIHOCUZKSAI-UHFFFAOYSA-N -2 3 367.448 3.063 20 0 FGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000451019830 501239599 /nfs/dbraw/zinc/23/95/99/501239599.db2.gz XGASYLPMSKSPFC-HNNXBMFYSA-N -2 3 355.843 3.483 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc(C(=O)[O-])c1C ZINC000471112674 501923888 /nfs/dbraw/zinc/92/38/88/501923888.db2.gz NMYCQRWQXGAKKP-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000466285074 502526230 /nfs/dbraw/zinc/52/62/30/502526230.db2.gz BXAGHDPPXRVLMY-UHFFFAOYSA-N -2 3 359.403 3.013 20 0 FGADHL O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000463449660 502809368 /nfs/dbraw/zinc/80/93/68/502809368.db2.gz LKWCJKQKCFPQQO-UHFFFAOYSA-N -2 3 366.160 3.227 20 0 FGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000489344987 502933839 /nfs/dbraw/zinc/93/38/39/502933839.db2.gz LXXOYXVQFOKIKZ-UHFFFAOYSA-N -2 3 371.361 3.279 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1Cl ZINC000507599122 503329133 /nfs/dbraw/zinc/32/91/33/503329133.db2.gz WJTCKXHCDYJBKJ-UHFFFAOYSA-N -2 3 368.842 3.367 20 0 FGADHL Cc1cnc(SCCCCCSc2ncc(C)c(=O)[n-]2)[n-]c1=O ZINC000515869640 503414691 /nfs/dbraw/zinc/41/46/91/503414691.db2.gz DSGMNAKZKFLFAU-UHFFFAOYSA-N -2 3 352.485 3.349 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000508240655 503461521 /nfs/dbraw/zinc/46/15/21/503461521.db2.gz HSLKQTMFBYQYDG-UHFFFAOYSA-N -2 3 352.387 3.145 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000512567498 503586223 /nfs/dbraw/zinc/58/62/23/503586223.db2.gz BAQWFCPMNIYESG-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL Cc1nc(C=Cc2c(F)cccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504710649 503607541 /nfs/dbraw/zinc/60/75/41/503607541.db2.gz DLWVDJHYGKSHRX-WAYWQWQTSA-N -2 3 367.174 3.190 20 0 FGADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1F ZINC000512742063 503624130 /nfs/dbraw/zinc/62/41/30/503624130.db2.gz FUZMSEOBCZXPOQ-UHFFFAOYSA-N -2 3 371.361 3.089 20 0 FGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000527199704 503716228 /nfs/dbraw/zinc/71/62/28/503716228.db2.gz OCTZUKLQUWELPS-UHFFFAOYSA-N -2 3 371.823 3.324 20 0 FGADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1c(F)ccc([O-])c1F)CC3 ZINC000530370697 503940350 /nfs/dbraw/zinc/94/03/50/503940350.db2.gz VLRZNNGUPKXCJK-CLFYSBASSA-N -2 3 370.311 3.023 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000533953436 503999606 /nfs/dbraw/zinc/99/96/06/503999606.db2.gz PTDUWFVOYUCZAK-UHFFFAOYSA-N -2 3 363.435 3.293 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000544646925 504203115 /nfs/dbraw/zinc/20/31/15/504203115.db2.gz UTHNMXUFJUFHHP-ZDUSSCGKSA-N -2 3 363.435 3.068 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c(F)cc1F ZINC000547885791 504258227 /nfs/dbraw/zinc/25/82/27/504258227.db2.gz XFRWKNOBDLGPIN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000547885261 504258310 /nfs/dbraw/zinc/25/83/10/504258310.db2.gz RPJLSDNUTPXQPN-VIFPVBQESA-N -2 3 359.831 3.174 20 0 FGADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547892208 504259694 /nfs/dbraw/zinc/25/96/94/504259694.db2.gz XFZVTSTZGQGWFE-RHSMWYFYSA-N -2 3 367.854 3.415 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000547963317 504275517 /nfs/dbraw/zinc/27/55/17/504275517.db2.gz VCWLGHUCQFDTPW-SECBINFHSA-N -2 3 357.403 3.048 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1F ZINC000548262510 504377803 /nfs/dbraw/zinc/37/78/03/504377803.db2.gz MPSFBMXHGBBNHX-ZBEGNZNMSA-N -2 3 369.389 3.014 20 0 FGADHL CSCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000545365941 504461964 /nfs/dbraw/zinc/46/19/64/504461964.db2.gz ODDSILSVNQKSSL-UHFFFAOYSA-N -2 3 366.464 3.014 20 0 FGADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1 ZINC000548566248 504483276 /nfs/dbraw/zinc/48/32/76/504483276.db2.gz BOXSJJNIOSTJRR-ZUZCIYMTSA-N -2 3 371.817 3.219 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)c1Cl ZINC000548981731 504643151 /nfs/dbraw/zinc/64/31/51/504643151.db2.gz IDZPYKDPHXDTHN-PELKAZGASA-N -2 3 366.266 3.079 20 0 FGADHL O=C([O-])CC1(CC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000562651850 504895542 /nfs/dbraw/zinc/89/55/42/504895542.db2.gz UFBUODCKUBESPW-UHFFFAOYSA-N -2 3 365.904 3.495 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCC2)cc1C(=O)[O-] ZINC000566559708 505205627 /nfs/dbraw/zinc/20/56/27/505205627.db2.gz UJACYHGKIGBJAS-UHFFFAOYSA-N -2 3 369.826 3.297 20 0 FGADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)C[C@H]1CCCCC1(F)F ZINC000563688039 505211621 /nfs/dbraw/zinc/21/16/21/505211621.db2.gz KRIXSWRPMGURMD-MRVPVSSYSA-N -2 3 369.336 3.230 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000551913225 505340378 /nfs/dbraw/zinc/34/03/78/505340378.db2.gz RQCYKQHSFCBNAH-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1 ZINC000471370892 561002966 /nfs/dbraw/zinc/00/29/66/561002966.db2.gz PDZHMOLTTHMRLI-UHFFFAOYSA-N -2 3 359.386 3.075 20 0 FGADHL O=C([O-])C[C@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000819380494 597086609 /nfs/dbraw/zinc/08/66/09/597086609.db2.gz OPPSTXGXUXAKBP-LLVKDONJSA-N -2 3 373.434 3.344 20 0 FGADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000740134761 599854278 /nfs/dbraw/zinc/85/42/78/599854278.db2.gz KTLSANRFWQAAEJ-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c[nH]1 ZINC000625075213 600674427 /nfs/dbraw/zinc/67/44/27/600674427.db2.gz NZBZDYHEQUKUPL-UHFFFAOYSA-N -2 3 360.366 3.320 20 0 FGADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000392073660 601843447 /nfs/dbraw/zinc/84/34/47/601843447.db2.gz BQVVIWYEYFWXMM-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000827058361 601861109 /nfs/dbraw/zinc/86/11/09/601861109.db2.gz DAHBNRGHLFBSLU-UHFFFAOYSA-N -2 3 371.361 3.251 20 0 FGADHL C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000825442914 603183156 /nfs/dbraw/zinc/18/31/56/603183156.db2.gz SRODHJBZHILRPJ-NSHDSACASA-N -2 3 351.362 3.109 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C ZINC000829510659 603401423 /nfs/dbraw/zinc/40/14/23/603401423.db2.gz NAEJHFRZVXXZRK-GFCCVEGCSA-N -2 3 364.423 3.133 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830072758 603401634 /nfs/dbraw/zinc/40/16/34/603401634.db2.gz JCMDTFFIMMWLQO-LLVKDONJSA-N -2 3 352.387 3.264 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000833506470 605006241 /nfs/dbraw/zinc/00/62/41/605006241.db2.gz DPUUITJXDATYFH-UHFFFAOYSA-N -2 3 364.423 3.042 20 0 FGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-])C(F)(F)F ZINC000833425095 605298480 /nfs/dbraw/zinc/29/84/80/605298480.db2.gz USTKTYYZRHAEBE-NSHDSACASA-N -2 3 371.352 3.169 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCCCC(=O)[O-] ZINC000522396821 714186305 /nfs/dbraw/zinc/18/63/05/714186305.db2.gz WADAHVIZTMSSRX-UHFFFAOYSA-N -2 3 367.398 3.179 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000663421255 720511626 /nfs/dbraw/zinc/51/16/26/720511626.db2.gz MBBSIKCVJJESTG-UHFFFAOYSA-N -2 3 363.435 3.291 20 0 FGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000671644867 721602184 /nfs/dbraw/zinc/60/21/84/721602184.db2.gz WCTJHIHOSCALLA-UHFFFAOYSA-N -2 3 373.780 3.138 20 0 FGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)c([O-])c1 ZINC000740811822 722538087 /nfs/dbraw/zinc/53/80/87/722538087.db2.gz CPRZPPQRHYWFLU-KHPPLWFESA-N -2 3 361.419 3.290 20 0 FGADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761289932 723140420 /nfs/dbraw/zinc/14/04/20/723140420.db2.gz JWQRUPJLRQAMMM-OIBJUYFYSA-N -2 3 352.239 3.159 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc2[nH]ncc21 ZINC000766328784 723568777 /nfs/dbraw/zinc/56/87/77/723568777.db2.gz GAIZWCKXGVOMAU-UHFFFAOYSA-N -2 3 365.798 3.024 20 0 FGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767736904 723631858 /nfs/dbraw/zinc/63/18/58/723631858.db2.gz RZBYTEDZXLXAJX-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cnc1Cl ZINC000776443590 724146321 /nfs/dbraw/zinc/14/63/21/724146321.db2.gz SKMBQQIUSSGFSU-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1C(=O)[O-] ZINC000840813737 730178154 /nfs/dbraw/zinc/17/81/54/730178154.db2.gz VGUSMSJEZAZAHG-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1C(=O)[O-] ZINC000066588257 494360155 /nfs/dbraw/zinc/36/01/55/494360155.db2.gz DRANWXWEQRWNEU-UHFFFAOYSA-N -2 3 367.448 3.057 20 0 FGADHL CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131523762 494646497 /nfs/dbraw/zinc/64/64/97/494646497.db2.gz BNGFYJSLCKMENQ-UHFFFAOYSA-N -2 3 372.377 3.075 20 0 FGADHL CCc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000132403611 494868526 /nfs/dbraw/zinc/86/85/26/494868526.db2.gz RPFSJTVBBNKFQG-UHFFFAOYSA-N -2 3 353.418 3.395 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1C ZINC000110279022 494965158 /nfs/dbraw/zinc/96/51/58/494965158.db2.gz QHCOYHBKKJWZLG-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL CCSc1ccc(Cl)cc1[N-]C(=O)c1coc(S(=O)(=O)[N-]C)c1 ZINC000131252057 495512973 /nfs/dbraw/zinc/51/29/73/495512973.db2.gz SRQIRNVMJZWLSE-UHFFFAOYSA-N -2 3 374.871 3.205 20 0 FGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179639910 495672193 /nfs/dbraw/zinc/67/21/93/495672193.db2.gz REKLLNCNZZYLAU-UHFFFAOYSA-N -2 3 354.815 3.060 20 0 FGADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000175197747 496288105 /nfs/dbraw/zinc/28/81/05/496288105.db2.gz DNZDBRRTCZDJIQ-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000175197747 496288112 /nfs/dbraw/zinc/28/81/12/496288112.db2.gz DNZDBRRTCZDJIQ-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c([O-])cc(Cl)cc1Cl ZINC000175197747 496288118 /nfs/dbraw/zinc/28/81/18/496288118.db2.gz DNZDBRRTCZDJIQ-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL CC(C)c1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c(C(C)C)c1 ZINC000577986156 505834867 /nfs/dbraw/zinc/83/48/67/505834867.db2.gz VMPHWMZEAXPZMX-CYBMUJFWSA-N -2 3 372.469 3.483 20 0 FGADHL [O-]c1ccc(F)c(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)c1F ZINC000569046340 505837873 /nfs/dbraw/zinc/83/78/73/505837873.db2.gz LUFMLQHAFZLUGA-UHFFFAOYSA-N -2 3 351.740 3.332 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1-c1ncco1 ZINC000164761892 496631202 /nfs/dbraw/zinc/63/12/02/496631202.db2.gz UVEQTHCVRJSCIH-UHFFFAOYSA-N -2 3 358.375 3.149 20 0 FGADHL O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000578749929 506012027 /nfs/dbraw/zinc/01/20/27/506012027.db2.gz RCVFDUFYGMNXNJ-STQMWFEESA-N -2 3 367.854 3.415 20 0 FGADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1c([O-])cccc1Cl ZINC000572685218 506028327 /nfs/dbraw/zinc/02/83/27/506028327.db2.gz ISHYAMWYQHYFML-UHFFFAOYSA-N -2 3 370.796 3.093 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC(=O)[O-] ZINC000321236656 498812517 /nfs/dbraw/zinc/81/25/17/498812517.db2.gz WHVLXLNZNRMWGH-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)c(C)c1CC(=O)[O-] ZINC000326823841 498847950 /nfs/dbraw/zinc/84/79/50/498847950.db2.gz JBTCZFFSVZHPPB-UHFFFAOYSA-N -2 3 369.389 3.318 20 0 FGADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000391215473 499556532 /nfs/dbraw/zinc/55/65/32/499556532.db2.gz FUMJJXBWQPTDDY-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)CCC(=O)[O-] ZINC000392446113 499558875 /nfs/dbraw/zinc/55/88/75/499558875.db2.gz DWKVXXKFQMRXST-UHFFFAOYSA-N -2 3 367.389 3.265 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)CC(F)(F)F ZINC000402636769 499569846 /nfs/dbraw/zinc/56/98/46/499569846.db2.gz FOZQPBJFAPCFOQ-SECBINFHSA-N -2 3 371.352 3.089 20 0 FGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000427236773 500371726 /nfs/dbraw/zinc/37/17/26/500371726.db2.gz AHTCNLKNWNUVIK-SNVBAGLBSA-N -2 3 365.373 3.018 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000427241425 500372615 /nfs/dbraw/zinc/37/26/15/500372615.db2.gz JIFQMWACGBVGGN-JTQLQIEISA-N -2 3 365.373 3.018 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000432049760 500460655 /nfs/dbraw/zinc/46/06/55/500460655.db2.gz XJYFZRYWHMCQMQ-UHFFFAOYSA-N -2 3 371.773 3.181 20 0 FGADHL CC(=O)c1ccc([O-])c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000436937043 500574177 /nfs/dbraw/zinc/57/41/77/500574177.db2.gz WPHIJCZUKKPBAY-UHFFFAOYSA-N -2 3 364.195 3.244 20 0 FGADHL CCSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433506826 500706230 /nfs/dbraw/zinc/70/62/30/500706230.db2.gz POWOKPQCCFNUIG-UHFFFAOYSA-N -3 3 367.448 3.144 20 0 FGADHL Cc1nc(C=Cc2ccccc2OCC2CC2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457884 500727450 /nfs/dbraw/zinc/72/74/50/500727450.db2.gz XVSVABBTRFPQNR-CSKARUKUSA-N -2 3 354.406 3.467 20 0 FGADHL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436476468 501134216 /nfs/dbraw/zinc/13/42/16/501134216.db2.gz FTQUMYWVGYQMTP-UHFFFAOYSA-N -2 3 359.325 3.414 20 0 FGADHL CCN(c1cc(C)ccc1C)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436727178 501197917 /nfs/dbraw/zinc/19/79/17/501197917.db2.gz YBYQMYJUTIYJQM-UHFFFAOYSA-N -2 3 363.435 3.231 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1nccs1 ZINC000451215331 501252974 /nfs/dbraw/zinc/25/29/74/501252974.db2.gz GMPSJUDKOUGQEW-VIFPVBQESA-N -2 3 366.386 3.297 20 0 FGADHL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481959961 501929100 /nfs/dbraw/zinc/92/91/00/501929100.db2.gz XBDZAYRJNTUYRJ-UHFFFAOYSA-N -2 3 363.435 3.292 20 0 FGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(=O)[O-] ZINC000479243115 502202806 /nfs/dbraw/zinc/20/28/06/502202806.db2.gz MAJBBDNEOYIDQD-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1c(F)ccc(F)c1F ZINC000483140633 502288102 /nfs/dbraw/zinc/28/81/02/502288102.db2.gz IRVVPTFDFIHSFB-UHFFFAOYSA-N -2 3 354.238 3.420 20 0 FGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000475826697 502302216 /nfs/dbraw/zinc/30/22/16/502302216.db2.gz BKAVNYFYHQACRQ-UHFFFAOYSA-N -2 3 367.810 3.432 20 0 FGADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000476244710 502427634 /nfs/dbraw/zinc/42/76/34/502427634.db2.gz CZVXURFCJOZRKN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000484537967 502663956 /nfs/dbraw/zinc/66/39/56/502663956.db2.gz JCXSICJOVBZXBI-UHFFFAOYSA-N -2 3 365.382 3.163 20 0 FGADHL Cc1nn(-c2ccccc2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470235876 502713008 /nfs/dbraw/zinc/71/30/08/502713008.db2.gz BJOLJESTZVLYNS-MDZDMXLPSA-N -2 3 364.405 3.091 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(C)c1 ZINC000509661164 502959802 /nfs/dbraw/zinc/95/98/02/502959802.db2.gz KGMXTRWQTAXBME-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1C(=O)[O-] ZINC000506647877 503149871 /nfs/dbraw/zinc/14/98/71/503149871.db2.gz YIMOPQVBERLWMF-UHFFFAOYSA-N -2 3 361.419 3.283 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)Cc3c(F)cccc3F)ccc12 ZINC000515027961 503253630 /nfs/dbraw/zinc/25/36/30/503253630.db2.gz JTPBCVNUVJMAAB-UHFFFAOYSA-N -2 3 366.345 3.086 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504702622 503606938 /nfs/dbraw/zinc/60/69/38/503606938.db2.gz HYBPBRSSYQHDEM-LLVKDONJSA-N -2 3 367.448 3.061 20 0 FGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500359524 503608223 /nfs/dbraw/zinc/60/82/23/503608223.db2.gz KXCWRAYOZPPKSX-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000540212213 503712400 /nfs/dbraw/zinc/71/24/00/503712400.db2.gz TVRNWZHSNPDJPM-UHFFFAOYSA-N -2 3 353.371 3.112 20 0 FGADHL COc1cc(S(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])ccc1F ZINC000527300964 503757162 /nfs/dbraw/zinc/75/71/62/503757162.db2.gz PGHJNCSPMRCMSE-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000540497491 503792952 /nfs/dbraw/zinc/79/29/52/503792952.db2.gz RONNOOFJHIKKAI-UHFFFAOYSA-N -2 3 351.424 3.299 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2OC(C)C)c1 ZINC000537198118 503838230 /nfs/dbraw/zinc/83/82/30/503838230.db2.gz ZBHYYJFXFVHOSF-UHFFFAOYSA-N -2 3 355.387 3.128 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)sc1Cl ZINC000530435345 503964128 /nfs/dbraw/zinc/96/41/28/503964128.db2.gz SOXQJYMCSPAZKT-LBPRGKRZSA-N -2 3 373.883 3.247 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000530474321 503977952 /nfs/dbraw/zinc/97/79/52/503977952.db2.gz WUHRWJHOGNBCRT-MJHDQNEOSA-N -2 3 371.867 3.324 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000534065378 504030785 /nfs/dbraw/zinc/03/07/85/504030785.db2.gz JWMKYOFVUXRXAH-SNVBAGLBSA-N -2 3 354.255 3.079 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Br)c2C)c1 ZINC000538295630 504194636 /nfs/dbraw/zinc/19/46/36/504194636.db2.gz CZKWLNFXYDWSII-UHFFFAOYSA-N -2 3 372.240 3.273 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000534785619 504240102 /nfs/dbraw/zinc/24/01/02/504240102.db2.gz WKTKLUDHLPOBEE-UHFFFAOYSA-N -2 3 359.831 3.316 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000547896569 504259100 /nfs/dbraw/zinc/25/91/00/504259100.db2.gz IHUPLTMSOAJGAS-CJNGLKHVSA-N -2 3 371.842 3.316 20 0 FGADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000519756956 504328905 /nfs/dbraw/zinc/32/89/05/504328905.db2.gz GEHUMCNNHZNBIC-UHFFFAOYSA-N -2 3 365.251 3.098 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1F ZINC000548262506 504378233 /nfs/dbraw/zinc/37/82/33/504378233.db2.gz MPSFBMXHGBBNHX-BZNIZROVSA-N -2 3 369.389 3.014 20 0 FGADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000542236859 504416981 /nfs/dbraw/zinc/41/69/81/504416981.db2.gz GPUOPCJESLDUJQ-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000548543339 504480220 /nfs/dbraw/zinc/48/02/20/504480220.db2.gz OEVOQGMMFVTBOJ-LLVKDONJSA-N -2 3 355.843 3.415 20 0 FGADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(Cl)s2)(C(=O)[O-])CC1 ZINC000542859764 504638462 /nfs/dbraw/zinc/63/84/62/504638462.db2.gz RLXIIXOJJKRALY-UHFFFAOYSA-N -2 3 351.877 3.103 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000556414920 504867475 /nfs/dbraw/zinc/86/74/75/504867475.db2.gz RLMBFUDLOOVMDU-SNVBAGLBSA-N -2 3 354.255 3.224 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)c1F ZINC000562967333 505002772 /nfs/dbraw/zinc/00/27/72/505002772.db2.gz QNPQLGPJZSWOSC-SECBINFHSA-N -2 3 351.346 3.091 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000563081872 505041955 /nfs/dbraw/zinc/04/19/55/505041955.db2.gz RVDDHKCECKLQOT-INIZCTEOSA-N -2 3 357.403 3.048 20 0 FGADHL C[C@@]1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000563080528 505042042 /nfs/dbraw/zinc/04/20/42/505042042.db2.gz JPEAJEGVRVVGDL-BXUZGUMPSA-N -2 3 365.373 3.017 20 0 FGADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000563688125 505212488 /nfs/dbraw/zinc/21/24/88/505212488.db2.gz KRIXSWRPMGURMD-QMMMGPOBSA-N -2 3 369.336 3.230 20 0 FGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000555374736 505420096 /nfs/dbraw/zinc/42/00/96/505420096.db2.gz GXHPWSVWKMMXMR-MRVPVSSYSA-N -2 3 371.352 3.012 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000562273719 505558782 /nfs/dbraw/zinc/55/87/82/505558782.db2.gz PEFDVGTXSMSLNF-QMMMGPOBSA-N -2 3 359.391 3.079 20 0 FGADHL COC(=O)CCc1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000486390512 515464272 /nfs/dbraw/zinc/46/42/72/515464272.db2.gz UXEBQSKZDZPMHE-UHFFFAOYSA-N -2 3 370.843 3.092 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCCC2)o1 ZINC000740174235 599771405 /nfs/dbraw/zinc/77/14/05/599771405.db2.gz WIXCGCXKXXKLOV-MRXNPFEDSA-N -2 3 367.398 3.327 20 0 FGADHL COc1ccc([C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000737956715 599848766 /nfs/dbraw/zinc/84/87/66/599848766.db2.gz BXJFFQBDYOJBAL-CQSZACIVSA-N -2 3 369.751 3.383 20 0 FGADHL Cc1nc(C(C)(C)C)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738840867 600535955 /nfs/dbraw/zinc/53/59/55/600535955.db2.gz MQCWNTQQVUDKLA-UHFFFAOYSA-N -2 3 368.484 3.260 20 0 FGADHL O=C([O-])CCCc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000327270719 601746419 /nfs/dbraw/zinc/74/64/19/601746419.db2.gz ZCLSHLMPBMTYPQ-UHFFFAOYSA-N -2 3 357.391 3.458 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)c(C)c1C ZINC000833734664 605265577 /nfs/dbraw/zinc/26/55/77/605265577.db2.gz RVPFCXYIKKJGPR-UHFFFAOYSA-N -2 3 368.386 3.342 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)s1 ZINC000824136712 608107342 /nfs/dbraw/zinc/10/73/42/608107342.db2.gz VIFWOATXDVFRTA-UHFFFAOYSA-N -2 3 363.468 3.027 20 0 FGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(F)ccc1Br ZINC000163602341 705316663 /nfs/dbraw/zinc/31/66/63/705316663.db2.gz MOLZMKCVWXZKCU-UHFFFAOYSA-N -2 3 361.174 3.288 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)c1nc(C)cs1 ZINC000185008832 712681246 /nfs/dbraw/zinc/68/12/46/712681246.db2.gz LICUQRMGNSRSDC-NSHDSACASA-N -2 3 372.443 3.027 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc(C(=O)[O-])c1 ZINC000507647402 714120564 /nfs/dbraw/zinc/12/05/64/714120564.db2.gz AOKXQBWPSGAFGQ-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000646032434 718259313 /nfs/dbraw/zinc/25/93/13/718259313.db2.gz OIWPWADLLZOAOD-ZYHUDNBSSA-N -2 3 371.842 3.316 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)sc1Cl ZINC000653493414 719048043 /nfs/dbraw/zinc/04/80/43/719048043.db2.gz VAVCTTOEAWMKLV-LPEHRKFASA-N -2 3 365.904 3.124 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(C)C)cc2)oc1C(=O)[O-] ZINC000663421212 720511646 /nfs/dbraw/zinc/51/16/46/720511646.db2.gz KNIWWILVSVIXEK-LBPRGKRZSA-N -2 3 367.423 3.113 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(Cl)c1 ZINC000673464535 721663017 /nfs/dbraw/zinc/66/30/17/721663017.db2.gz FGOANVWJJHUZOW-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000681556757 722211103 /nfs/dbraw/zinc/21/11/03/722211103.db2.gz DITOKLNOAXWBOO-JTQLQIEISA-N -2 3 363.819 3.035 20 0 FGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000793348995 723427817 /nfs/dbraw/zinc/42/78/17/723427817.db2.gz JHSBSNLXCMETFQ-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3ncccc32)c1C(=O)[O-] ZINC000768849289 723669433 /nfs/dbraw/zinc/66/94/33/723669433.db2.gz SIZLGXBNGOHLTF-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cccc(Cl)c2[O-])C2CC2)n1 ZINC000632033186 450599091 /nfs/dbraw/zinc/59/90/91/450599091.db2.gz KQGFLZMZOJFSFF-GFCCVEGCSA-N -2 3 358.872 3.240 20 0 FGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2[O-])C2CC2)n1 ZINC000632033187 450599305 /nfs/dbraw/zinc/59/93/05/450599305.db2.gz KQGFLZMZOJFSFF-LBPRGKRZSA-N -2 3 358.872 3.240 20 0 FGADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031665629 493953819 /nfs/dbraw/zinc/95/38/19/493953819.db2.gz ADIPVKXXUBFNLR-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000063476250 494058316 /nfs/dbraw/zinc/05/83/16/494058316.db2.gz FMEZPLBAUBCIBC-UHFFFAOYSA-N -2 3 363.435 3.130 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000013262863 494283635 /nfs/dbraw/zinc/28/36/35/494283635.db2.gz QHQQOOCYURAVEF-UHFFFAOYSA-N -2 3 352.239 3.059 20 0 FGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000013313988 494284579 /nfs/dbraw/zinc/28/45/79/494284579.db2.gz SKGVTDPWQLHWBG-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](OC)c1ccccc1 ZINC000571393230 505722685 /nfs/dbraw/zinc/72/26/85/505722685.db2.gz JUAJZRMDQYXAJA-QGZVFWFLSA-N -2 3 363.435 3.077 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)c1CC(=O)[O-] ZINC000181195476 496307458 /nfs/dbraw/zinc/30/74/58/496307458.db2.gz UWSGNXMJZPTEEU-UHFFFAOYSA-N -2 3 351.399 3.179 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000578116841 505865588 /nfs/dbraw/zinc/86/55/88/505865588.db2.gz JIXPIOQLFRAMPN-GXFFZTMASA-N -2 3 363.838 3.181 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)ccc1[O-] ZINC000188563206 496833425 /nfs/dbraw/zinc/83/34/25/496833425.db2.gz ZYFYMXBHTXKRAZ-UHFFFAOYSA-N -2 3 370.377 3.263 20 0 FGADHL CC(=O)c1cccc([N-]S(=O)(=O)CCC2Cc3ccccc3C2)c1[O-] ZINC000572125248 505896210 /nfs/dbraw/zinc/89/62/10/505896210.db2.gz UPQXMUGDEXCIIJ-UHFFFAOYSA-N -2 3 359.447 3.142 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCC2Cc3ccccc3C2)c1 ZINC000575076497 505915257 /nfs/dbraw/zinc/91/52/57/505915257.db2.gz IWBTXBGEZNAUKZ-UHFFFAOYSA-N -2 3 363.410 3.071 20 0 FGADHL O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)C[C@H]1c1ccccc1 ZINC000578749057 506012169 /nfs/dbraw/zinc/01/21/69/506012169.db2.gz OXYRXRGUUNETGY-RBUKOAKNSA-N -2 3 365.429 3.211 20 0 FGADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1nccs1 ZINC000569840401 506029161 /nfs/dbraw/zinc/02/91/61/506029161.db2.gz AOFURIHMDPEPCJ-CQSZACIVSA-N -2 3 374.871 3.098 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000318083843 498795154 /nfs/dbraw/zinc/79/51/54/498795154.db2.gz LPEVGWFJQLLVNM-BXUZGUMPSA-N -2 3 366.266 3.305 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000318292409 498796798 /nfs/dbraw/zinc/79/67/98/498796798.db2.gz KBOLFDWQDWWKBV-MGCOHNPYSA-N -2 3 366.266 3.163 20 0 FGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000392927028 499559675 /nfs/dbraw/zinc/55/96/75/499559675.db2.gz MWPSOLHATHXSFO-UHFFFAOYSA-N -2 3 367.398 3.360 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)c1 ZINC000427257870 500374282 /nfs/dbraw/zinc/37/42/82/500374282.db2.gz SWWLVKHYWBSVGB-UHFFFAOYSA-N -2 3 369.389 3.185 20 0 FGADHL CC(C)(C)c1nnsc1C(=O)[N-]c1n[n-]c(-c2c(F)cccc2F)n1 ZINC000427873114 500441350 /nfs/dbraw/zinc/44/13/50/500441350.db2.gz ZAOMSXWHXZBHMW-UHFFFAOYSA-N -2 3 364.381 3.151 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000424389315 500495451 /nfs/dbraw/zinc/49/54/51/500495451.db2.gz HSGAZURNQWHSNL-UHFFFAOYSA-N -2 3 355.843 3.272 20 0 FGADHL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433489373 500703475 /nfs/dbraw/zinc/70/34/75/500703475.db2.gz CUHOBEKSYFIBRA-LLVKDONJSA-N -3 3 365.407 3.069 20 0 FGADHL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433508569 500706378 /nfs/dbraw/zinc/70/63/78/500706378.db2.gz XGZHLKPBWVALGO-UHFFFAOYSA-N -3 3 373.839 3.267 20 0 FGADHL COc1cc2c(c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c1)O[C@@H](C)C2 ZINC000443443958 500725405 /nfs/dbraw/zinc/72/54/05/500725405.db2.gz NXPHOGWVDBWYDG-QZPNVGJNSA-N -2 3 370.405 3.010 20 0 FGADHL CCOc1nc2ccc(C(=O)N=c3[nH][n-]c(-c4ccc(C)o4)c3C)cc2[n-]1 ZINC000438886069 500831386 /nfs/dbraw/zinc/83/13/86/500831386.db2.gz MZTGYYAGKJYYDJ-UHFFFAOYSA-N -2 3 365.393 3.236 20 0 FGADHL CCOc1nc2cc(C(=O)N=c3[nH][n-]c(-c4ccc(C)o4)c3C)ccc2[n-]1 ZINC000438886069 500831389 /nfs/dbraw/zinc/83/13/89/500831389.db2.gz MZTGYYAGKJYYDJ-UHFFFAOYSA-N -2 3 365.393 3.236 20 0 FGADHL O=S(=O)([N-]c1cccc(F)c1F)c1cc(C(F)(F)F)ccc1[O-] ZINC000436477008 501134555 /nfs/dbraw/zinc/13/45/55/501134555.db2.gz LAWGSGCQPNNDEO-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL Cc1nc(C=Cc2cc(Cl)c([O-])cc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000436580827 501161842 /nfs/dbraw/zinc/16/18/42/501161842.db2.gz XQUQSLFXXAMAAQ-IHWYPQMZSA-N -3 3 355.177 3.301 20 0 FGADHL CCCN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000481609998 501831274 /nfs/dbraw/zinc/83/12/74/501831274.db2.gz OENJWDOHBKUBRL-UHFFFAOYSA-N -2 3 364.423 3.176 20 0 FGADHL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000471127149 501929451 /nfs/dbraw/zinc/92/94/51/501929451.db2.gz IZYKOCSJVXIWIS-UHFFFAOYSA-N -3 3 367.448 3.392 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000479916203 502419022 /nfs/dbraw/zinc/41/90/22/502419022.db2.gz WOHQWTVFPRLWEF-OAHLLOKOSA-N -2 3 367.373 3.019 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000477398731 502763932 /nfs/dbraw/zinc/76/39/32/502763932.db2.gz HPMHBHMUOSDYAM-UHFFFAOYSA-N -2 3 361.419 3.283 20 0 FGADHL O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1cc(-c2ccco2)[n-]n1 ZINC000505982171 503025104 /nfs/dbraw/zinc/02/51/04/503025104.db2.gz PZEKGPDRLOINGV-UHFFFAOYSA-N -2 3 357.439 3.318 20 0 FGADHL O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1cc(-c2ccco2)n[n-]1 ZINC000505982171 503025107 /nfs/dbraw/zinc/02/51/07/503025107.db2.gz PZEKGPDRLOINGV-UHFFFAOYSA-N -2 3 357.439 3.318 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000508235891 503460324 /nfs/dbraw/zinc/46/03/24/503460324.db2.gz KIBADGRENLZOOO-UHFFFAOYSA-N -2 3 352.387 3.145 20 0 FGADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504658161 503601837 /nfs/dbraw/zinc/60/18/37/503601837.db2.gz OYZGKYZQSRILHL-UHFFFAOYSA-N -2 3 369.826 3.303 20 0 FGADHL Cc1nc(C=Cc2sccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504712549 503607284 /nfs/dbraw/zinc/60/72/84/503607284.db2.gz QNZGIKWINNVCNC-IHWYPQMZSA-N -2 3 355.213 3.112 20 0 FGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c2ccccc12 ZINC000504711367 503607502 /nfs/dbraw/zinc/60/75/02/503607502.db2.gz IBLOYCGHYDIZNS-NTMALXAHSA-N -2 3 350.374 3.450 20 0 FGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC(C)C ZINC000504711076 503607676 /nfs/dbraw/zinc/60/76/76/503607676.db2.gz GKMZXNBCXPQBPC-VURMDHGXSA-N -2 3 372.421 3.332 20 0 FGADHL Cc1nc(C=Cc2ccc(F)cc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504721071 503608472 /nfs/dbraw/zinc/60/84/72/503608472.db2.gz NRXGSICUNXZHHV-HWKANZROSA-N -2 3 356.275 3.446 20 0 FGADHL Cc1nc(C=Cc2cc(F)ccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504729906 503609186 /nfs/dbraw/zinc/60/91/86/503609186.db2.gz KTAVYOGNAVBAMX-GORDUTHDSA-N -2 3 367.174 3.190 20 0 FGADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000512791172 503631934 /nfs/dbraw/zinc/63/19/34/503631934.db2.gz ZVSXEGDEAFJTRE-UHFFFAOYSA-N -2 3 363.435 3.339 20 0 FGADHL CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000546265829 503692956 /nfs/dbraw/zinc/69/29/56/503692956.db2.gz KQQNNHZQTYDOKN-AWEZNQCLSA-N -2 3 371.455 3.131 20 0 FGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)ccc2O1 ZINC000517298371 503707376 /nfs/dbraw/zinc/70/73/76/503707376.db2.gz JBRAZKDEPOSAFZ-SECBINFHSA-N -2 3 367.810 3.162 20 0 FGADHL COc1ccc([O-])c(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)c1 ZINC000540668743 503850791 /nfs/dbraw/zinc/85/07/91/503850791.db2.gz CMAUUUYFYIOBEK-UHFFFAOYSA-N -2 3 363.416 3.305 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)sc1Cl ZINC000530383310 503944296 /nfs/dbraw/zinc/94/42/96/503944296.db2.gz VEIJLNBPBZTQRB-CYBMUJFWSA-N -2 3 373.883 3.431 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CCCC2)C(=O)[O-])sc1Cl ZINC000530435868 503964672 /nfs/dbraw/zinc/96/46/72/503964672.db2.gz CMZFGZCMSXBIIH-SNVBAGLBSA-N -2 3 351.877 3.022 20 0 FGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000547546776 504145041 /nfs/dbraw/zinc/14/50/41/504145041.db2.gz VAZCNWKEWLZXIK-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)(CC(=O)[O-])C1 ZINC000547567929 504148918 /nfs/dbraw/zinc/14/89/18/504148918.db2.gz JZSAKXOPVFQLEU-BMIGLBTASA-N -2 3 363.838 3.039 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c1 ZINC000538299255 504195923 /nfs/dbraw/zinc/19/59/23/504195923.db2.gz XBFQNBVFKWMCPR-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-] ZINC000534798700 504244312 /nfs/dbraw/zinc/24/43/12/504244312.db2.gz RMNMSEYSQGZQCB-GFCCVEGCSA-N -2 3 359.831 3.172 20 0 FGADHL COc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc(OC)c1[O-] ZINC000545171263 504384093 /nfs/dbraw/zinc/38/40/93/504384093.db2.gz PWGRQJNHRDGUBB-UHFFFAOYSA-N -2 3 368.183 3.130 20 0 FGADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000548535857 504479686 /nfs/dbraw/zinc/47/96/86/504479686.db2.gz WPWXWSBVQVXDQN-UHFFFAOYSA-N -2 3 359.325 3.052 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000553483964 504928131 /nfs/dbraw/zinc/92/81/31/504928131.db2.gz BBURYJXMXNAQQO-UHFFFAOYSA-N -2 3 360.391 3.220 20 0 FGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000551997687 505366097 /nfs/dbraw/zinc/36/60/97/505366097.db2.gz WPHQMZWIZXTYDD-UHFFFAOYSA-N -2 3 359.856 3.088 20 0 FGADHL COc1cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)cc(OC)c1[O-] ZINC000486190905 515374626 /nfs/dbraw/zinc/37/46/26/515374626.db2.gz GGSAIANEENFNIH-UHFFFAOYSA-N -2 3 353.378 3.360 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(c3ccccc3)CC2)o1 ZINC000740175312 599869357 /nfs/dbraw/zinc/86/93/57/599869357.db2.gz OCUGQUPWJOXMND-UHFFFAOYSA-N -2 3 363.435 3.230 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1 ZINC000738654703 599927525 /nfs/dbraw/zinc/92/75/25/599927525.db2.gz GMKLJIUAXAGOQP-UHFFFAOYSA-N -2 3 351.449 3.114 20 0 FGADHL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC000740013374 600101598 /nfs/dbraw/zinc/10/15/98/600101598.db2.gz DHWZZJKRMNUFQO-UHFFFAOYSA-N -2 3 350.371 3.205 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000326663644 600104698 /nfs/dbraw/zinc/10/46/98/600104698.db2.gz IEFSLWDFEWZFJS-UHFFFAOYSA-N -2 3 368.842 3.213 20 0 FGADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000740024910 600447529 /nfs/dbraw/zinc/44/75/29/600447529.db2.gz NMVQWWGFIRSIPU-UHFFFAOYSA-N -2 3 372.805 3.090 20 0 FGADHL Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738833528 600629468 /nfs/dbraw/zinc/62/94/68/600629468.db2.gz ZETAMUCUKSZWLJ-UHFFFAOYSA-N -2 3 374.447 3.240 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC000392043017 601233467 /nfs/dbraw/zinc/23/34/67/601233467.db2.gz QBAWFNLJOOWHNE-GFCCVEGCSA-N -2 3 361.410 3.300 20 0 FGADHL Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832921618 601237205 /nfs/dbraw/zinc/23/72/05/601237205.db2.gz PDROHIUNILBGLM-LLVKDONJSA-N -2 3 369.389 3.053 20 0 FGADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000828672475 601480305 /nfs/dbraw/zinc/48/03/05/601480305.db2.gz SMHIFTQFZKCMLD-CYBMUJFWSA-N -2 3 354.255 3.224 20 0 FGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776551956 601963492 /nfs/dbraw/zinc/96/34/92/601963492.db2.gz JGWUBFGSQKLFHH-UHFFFAOYSA-N -2 3 369.270 3.092 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(Cl)cc1Cl ZINC000320973641 602008843 /nfs/dbraw/zinc/00/88/43/602008843.db2.gz OWHKIBAMJCVLDJ-ZCFIWIBFSA-N -2 3 374.192 3.158 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(F)c(F)c(F)c(F)c1F ZINC000181738381 705807596 /nfs/dbraw/zinc/80/75/96/705807596.db2.gz HMQPUMNMVHHHQR-UHFFFAOYSA-N -2 3 357.231 3.028 20 0 FGADHL O=S(=O)([N-]c1c([O-])cccc1F)C1(COCc2ccccc2)CC1 ZINC000641684648 717920536 /nfs/dbraw/zinc/92/05/36/717920536.db2.gz SIDCWNLNKAGSDI-UHFFFAOYSA-N -2 3 351.399 3.022 20 0 FGADHL COC(C)(C)c1nc(=NC(=O)c2cc3cc(Cl)sc3[n-]2)s[n-]1 ZINC000634148602 717044243 /nfs/dbraw/zinc/04/42/43/717044243.db2.gz NQQSBUIQBYUSKI-UHFFFAOYSA-N -2 3 356.860 3.290 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c1Cl ZINC000663256459 720492775 /nfs/dbraw/zinc/49/27/75/720492775.db2.gz VMYMDWKHIIDYCQ-JTQLQIEISA-N -2 3 366.266 3.081 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C(C)C)oc1C(=O)[O-] ZINC000663427511 720512507 /nfs/dbraw/zinc/51/25/07/720512507.db2.gz JVIOVOHHEYYJIX-CQSZACIVSA-N -2 3 355.387 3.101 20 0 FGADHL CCCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761234654 723135496 /nfs/dbraw/zinc/13/54/96/723135496.db2.gz NXGKWGOOMYWZRI-UHFFFAOYSA-N -2 3 370.290 3.067 20 0 FGADHL CSCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761304259 723142781 /nfs/dbraw/zinc/14/27/81/723142781.db2.gz GRUJSJCFIKGNFI-UHFFFAOYSA-N -2 3 372.295 3.113 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829876754 729519498 /nfs/dbraw/zinc/51/94/98/729519498.db2.gz OPISCYLHEHEWSO-UHFFFAOYSA-N -2 3 361.419 3.289 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2F)C2CCCC2)o1 ZINC000833325149 729745244 /nfs/dbraw/zinc/74/52/44/729745244.db2.gz SYUNHRSGQYBQDP-INIZCTEOSA-N -2 3 367.398 3.327 20 0 FGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000573852136 505635227 /nfs/dbraw/zinc/63/52/27/505635227.db2.gz BKULVAJMQDHRER-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL CC(C)c1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c([O-])c1 ZINC000051184184 493953413 /nfs/dbraw/zinc/95/34/13/493953413.db2.gz XJDCEDUFEQXYRU-UHFFFAOYSA-N -2 3 357.435 3.086 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000063180366 494031614 /nfs/dbraw/zinc/03/16/14/494031614.db2.gz HQZFVBDGOFRXGW-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000063345121 494047536 /nfs/dbraw/zinc/04/75/36/494047536.db2.gz WUUCFPVZKBZNOY-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCCC1 ZINC000013262876 494283901 /nfs/dbraw/zinc/28/39/01/494283901.db2.gz AMLUANBKBVRSFZ-UHFFFAOYSA-N -2 3 352.239 3.059 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1OC(C)C ZINC000047318017 494678558 /nfs/dbraw/zinc/67/85/58/494678558.db2.gz XCAKDVHNNOLGFG-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000181089556 496266707 /nfs/dbraw/zinc/26/67/07/496266707.db2.gz ZHFKIFNXBRMPBH-UHFFFAOYSA-N -2 3 374.393 3.308 20 0 FGADHL COCCCCS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000581044184 505896856 /nfs/dbraw/zinc/89/68/56/505896856.db2.gz VQASWTJPRDLJQD-UHFFFAOYSA-N -2 3 369.464 3.282 20 0 FGADHL CSc1nc(C)c(CCC(=O)Nc2cc(Cl)c([O-])cc2F)c(=O)[n-]1 ZINC000286957389 498568476 /nfs/dbraw/zinc/56/84/76/498568476.db2.gz QFAGBRMHKLNBOF-UHFFFAOYSA-N -2 3 371.821 3.282 20 0 FGADHL COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c([O-])c1 ZINC000572808866 506056382 /nfs/dbraw/zinc/05/63/82/506056382.db2.gz UXVNSAZSGNXJDQ-UHFFFAOYSA-N -2 3 359.769 3.198 20 0 FGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000581741752 506057832 /nfs/dbraw/zinc/05/78/32/506057832.db2.gz HNLQBPSZAHFVKH-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000317052479 498790049 /nfs/dbraw/zinc/79/00/49/498790049.db2.gz DBIXUYOADFVASI-TZMCWYRMSA-N -2 3 366.266 3.305 20 0 FGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000317343638 498791891 /nfs/dbraw/zinc/79/18/91/498791891.db2.gz LYJJYMGXRVTXJE-JTQLQIEISA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000319485680 498802731 /nfs/dbraw/zinc/80/27/31/498802731.db2.gz CGODRHDENLPHAB-JTQLQIEISA-N -2 3 373.780 3.136 20 0 FGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000320378645 498807397 /nfs/dbraw/zinc/80/73/97/498807397.db2.gz ATOVLGTYWVXUMV-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000320482946 498808218 /nfs/dbraw/zinc/80/82/18/498808218.db2.gz SUGVVAJKHXGIIV-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000321240626 498812722 /nfs/dbraw/zinc/81/27/22/498812722.db2.gz UCRBHZMXRHTQLV-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000325623865 498838727 /nfs/dbraw/zinc/83/87/27/498838727.db2.gz SAXUXIQEDKUKLI-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Cl)cc1Cl ZINC000291887177 499093845 /nfs/dbraw/zinc/09/38/45/499093845.db2.gz JDXMKJAOQJXHIA-UHFFFAOYSA-N -2 3 374.192 3.015 20 0 FGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000386240219 499548831 /nfs/dbraw/zinc/54/88/31/499548831.db2.gz ASFISHVUQZDAPK-UHFFFAOYSA-N -2 3 357.334 3.137 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000389469191 499552577 /nfs/dbraw/zinc/55/25/77/499552577.db2.gz MLODJKDZEUGPOJ-ZJUUUORDSA-N -2 3 351.827 3.037 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000399440800 499568286 /nfs/dbraw/zinc/56/82/86/499568286.db2.gz KTTWOXMRKXRYTR-LDYMZIIASA-N -2 3 354.255 3.017 20 0 FGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000430372514 500232520 /nfs/dbraw/zinc/23/25/20/500232520.db2.gz GCKAFFSDQRLBNJ-SECBINFHSA-N -2 3 354.255 3.019 20 0 FGADHL CC(C)OCc1cc(NC(=O)c2cc(=O)c3ccccc3[n-]2)ccc1[O-] ZINC000426254972 500253896 /nfs/dbraw/zinc/25/38/96/500253896.db2.gz XCOKLEYQQPIIKO-UHFFFAOYSA-N -2 3 352.390 3.411 20 0 FGADHL COCc1ccccc1C=C(C)C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000431163130 500343847 /nfs/dbraw/zinc/34/38/47/500343847.db2.gz MEORQZLSDVUROH-JQHRQWORSA-N -2 3 354.406 3.381 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)sc1C(=O)[O-] ZINC000427239366 500372058 /nfs/dbraw/zinc/37/20/58/500372058.db2.gz OSBJVLYVGZFXTP-JTQLQIEISA-N -2 3 367.439 3.249 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000432759199 500559074 /nfs/dbraw/zinc/55/90/74/500559074.db2.gz UAUUPOZHDUDAIO-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000437000559 500590207 /nfs/dbraw/zinc/59/02/07/500590207.db2.gz MUMRDRHMZSOOFI-IBGZPJMESA-N -2 3 363.417 3.232 20 0 FGADHL CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436725948 501197803 /nfs/dbraw/zinc/19/78/03/501197803.db2.gz SZAYAGNHIIOLLZ-UHFFFAOYSA-N -2 3 363.435 3.231 20 0 FGADHL CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000442215828 501208234 /nfs/dbraw/zinc/20/82/34/501208234.db2.gz QCHZBRHCZTZDRW-UHFFFAOYSA-N -2 3 369.826 3.267 20 0 FGADHL CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000436893619 501228442 /nfs/dbraw/zinc/22/84/42/501228442.db2.gz OHTPAACDKWIKML-UHFFFAOYSA-N -2 3 365.798 3.134 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c(F)c1 ZINC000485261580 501772808 /nfs/dbraw/zinc/77/28/08/501772808.db2.gz OGZLXWZWLDSWSQ-UHFFFAOYSA-N -2 3 364.329 3.012 20 0 FGADHL CCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1C(CC)CC ZINC000480243948 502511410 /nfs/dbraw/zinc/51/14/10/502511410.db2.gz FYYBZOKUDAFTQW-UHFFFAOYSA-N -2 3 367.471 3.322 20 0 FGADHL COc1ccc2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)ccc2c1 ZINC000470238899 502712465 /nfs/dbraw/zinc/71/24/65/502712465.db2.gz SWYHFPSXICGEQK-XBXARRHUSA-N -2 3 350.374 3.450 20 0 FGADHL COc1ccc2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)ccc2c1 ZINC000470238902 502713207 /nfs/dbraw/zinc/71/32/07/502713207.db2.gz SWYHFPSXICGEQK-YWEYNIOJSA-N -2 3 350.374 3.450 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000477401185 502765549 /nfs/dbraw/zinc/76/55/49/502765549.db2.gz PRFLYNUEWXLNEN-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1OCC(=O)[O-] ZINC000509596833 502944615 /nfs/dbraw/zinc/94/46/15/502944615.db2.gz VBWHOOAHPOKCAB-UHFFFAOYSA-N -2 3 371.361 3.197 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000498015155 503087901 /nfs/dbraw/zinc/08/79/01/503087901.db2.gz INJZHVHXXIWHGT-UHFFFAOYSA-N -2 3 370.377 3.284 20 0 FGADHL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCCc2cccc([O-])c21 ZINC000490859541 503237539 /nfs/dbraw/zinc/23/75/39/503237539.db2.gz CDZWLFLHIVUKBL-UHFFFAOYSA-N -2 3 353.353 3.016 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000500316425 503602032 /nfs/dbraw/zinc/60/20/32/503602032.db2.gz NZIZKRANVFXEDS-UHFFFAOYSA-N -2 3 369.826 3.221 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504702207 503606958 /nfs/dbraw/zinc/60/69/58/503606958.db2.gz DUKVIUMUZCGUPU-LBPRGKRZSA-N -2 3 351.449 3.361 20 0 FGADHL Cc1nc(C=Cc2nc(C(C)C)n3ccccc23)[n-]c(=O)c1CC(=O)[O-] ZINC000504721040 503608097 /nfs/dbraw/zinc/60/80/97/503608097.db2.gz NICHWRPGKJFSHW-BQYQJAHWSA-N -2 3 352.394 3.059 20 0 FGADHL Cc1nc(C=Cc2ccc(C(=O)OC(C)(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720803 503608584 /nfs/dbraw/zinc/60/85/84/503608584.db2.gz MDVHMDCGXHIUMH-JXMROGBWSA-N -2 3 370.405 3.243 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3ccsc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728663 503608878 /nfs/dbraw/zinc/60/88/78/503608878.db2.gz FYAXKDVTKGYDNC-IHWYPQMZSA-N -2 3 359.432 3.473 20 0 FGADHL Cc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000504743771 503611719 /nfs/dbraw/zinc/61/17/19/503611719.db2.gz XXEPXKOWCJVCTQ-WAYWQWQTSA-N -2 3 363.211 3.359 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1F ZINC000512731361 503622498 /nfs/dbraw/zinc/62/24/98/503622498.db2.gz YIEOHJBEHKHPAQ-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000537196170 503836620 /nfs/dbraw/zinc/83/66/20/503836620.db2.gz XSIPXHPMSIFRTP-UHFFFAOYSA-N -2 3 362.432 3.325 20 0 FGADHL Cc1[n-][nH]c(=NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1-c1ccccc1 ZINC000547533925 504140499 /nfs/dbraw/zinc/14/04/99/504140499.db2.gz HNSRIHMFUYAYNO-UHFFFAOYSA-N -2 3 358.401 3.209 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000547609297 504155385 /nfs/dbraw/zinc/15/53/85/504155385.db2.gz RTVGKOJRNADQGE-WDEREUQCSA-N -2 3 371.430 3.438 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c1 ZINC000538533472 504276906 /nfs/dbraw/zinc/27/69/06/504276906.db2.gz JKADTQMXRYTVKR-UHFFFAOYSA-N -2 3 363.410 3.057 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C(=O)[O-] ZINC000548149988 504348414 /nfs/dbraw/zinc/34/84/14/504348414.db2.gz IYJRIJFKJULPLL-UHFFFAOYSA-N -2 3 366.395 3.243 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)c(Cl)c1 ZINC000548230032 504372706 /nfs/dbraw/zinc/37/27/06/504372706.db2.gz USHNKCUWWVVQQS-UHFFFAOYSA-N -2 3 366.782 3.121 20 0 FGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000548543342 504480347 /nfs/dbraw/zinc/48/03/47/504480347.db2.gz OEVOQGMMFVTBOJ-NSHDSACASA-N -2 3 355.843 3.415 20 0 FGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548542372 504480410 /nfs/dbraw/zinc/48/04/10/504480410.db2.gz HFSNYDZXNUSDIH-VIFPVBQESA-N -2 3 361.872 3.334 20 0 FGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1CC ZINC000539193086 504494804 /nfs/dbraw/zinc/49/48/04/504494804.db2.gz GLUJDADXXGDCSU-UHFFFAOYSA-N -2 3 363.435 3.319 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000536309394 504693103 /nfs/dbraw/zinc/69/31/03/504693103.db2.gz SEJGTGJRDISYQD-SDBXPKJASA-N -2 3 359.831 3.172 20 0 FGADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-])C1CC1 ZINC000521274640 504698648 /nfs/dbraw/zinc/69/86/48/504698648.db2.gz RPWGFQVHHUSHSJ-RTHLEPHNSA-N -2 3 373.883 3.332 20 0 FGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000556703356 504946392 /nfs/dbraw/zinc/94/63/92/504946392.db2.gz YSULGGXJOVWSOQ-MQMHXKEQSA-N -2 3 365.426 3.148 20 0 FGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000566654265 505233499 /nfs/dbraw/zinc/23/34/99/505233499.db2.gz NHSVGPHYCSPDFU-CQSZACIVSA-N -2 3 355.843 3.271 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000555130441 505358740 /nfs/dbraw/zinc/35/87/40/505358740.db2.gz YXBKVFMZWHBTLI-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-])C1CC1 ZINC000567369442 505443867 /nfs/dbraw/zinc/44/38/67/505443867.db2.gz QIPSVVHLKYNTCS-BMIGLBTASA-N -2 3 367.854 3.271 20 0 FGADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000567852298 505568197 /nfs/dbraw/zinc/56/81/97/505568197.db2.gz HOLJVXMYUMABKR-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000740243319 599802251 /nfs/dbraw/zinc/80/22/51/599802251.db2.gz YKLYZPIHNOTEGB-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1SCc1ccccc1 ZINC000739743003 599876118 /nfs/dbraw/zinc/87/61/18/599876118.db2.gz QUHUNKPADZZXKZ-UHFFFAOYSA-N -2 3 351.449 3.195 20 0 FGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(NC(=O)[O-])c3)ccc2O1 ZINC000736825571 599938460 /nfs/dbraw/zinc/93/84/60/599938460.db2.gz OCFKRPJQSQPNNZ-SECBINFHSA-N -2 3 366.370 3.040 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccs1 ZINC000681557605 599981241 /nfs/dbraw/zinc/98/12/41/599981241.db2.gz KYNBEQKIDULDER-JTQLQIEISA-N -2 3 363.819 3.035 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000746352684 601830888 /nfs/dbraw/zinc/83/08/88/601830888.db2.gz SPDKGYDGMZRLJP-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCN(C(=O)[O-])C(C)C)c2)n1 ZINC000739535975 601859472 /nfs/dbraw/zinc/85/94/72/601859472.db2.gz KCYUDPNUTWCANZ-UHFFFAOYSA-N -2 3 372.425 3.129 20 0 FGADHL COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000831977288 602149320 /nfs/dbraw/zinc/14/93/20/602149320.db2.gz SDPJSDNJKGAZIA-XVNBXDOJSA-N -2 3 368.345 3.231 20 0 FGADHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000825442913 603183390 /nfs/dbraw/zinc/18/33/90/603183390.db2.gz SRODHJBZHILRPJ-LLVKDONJSA-N -2 3 351.362 3.109 20 0 FGADHL CC(C)[C@H](CCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)NC(=O)[O-] ZINC000824105522 603852960 /nfs/dbraw/zinc/85/29/60/603852960.db2.gz XEQTUFIMMVBEFE-ZDUSSCGKSA-N -2 3 372.425 3.196 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1Cl ZINC000833663150 604745924 /nfs/dbraw/zinc/74/59/24/604745924.db2.gz QOJSIUPBKFMUHF-UHFFFAOYSA-N -2 3 373.789 3.377 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C(=O)[O-])c3ccccc3)nc2)n1 ZINC000830209054 604804336 /nfs/dbraw/zinc/80/43/36/604804336.db2.gz FAXUTXRZWVGNIU-INIZCTEOSA-N -2 3 364.405 3.087 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)c2)n1 ZINC000827558022 605642448 /nfs/dbraw/zinc/64/24/48/605642448.db2.gz ZHSTUYOOIFOZPJ-OAHLLOKOSA-N -2 3 372.425 3.032 20 0 FGADHL O=C([O-])CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2o1 ZINC000823387787 606304471 /nfs/dbraw/zinc/30/44/71/606304471.db2.gz XYDDFKHVZBDKGH-UITAMQMPSA-N -2 3 353.363 3.085 20 0 FGADHL O=C([O-])CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2o1 ZINC000823387787 606304472 /nfs/dbraw/zinc/30/44/72/606304472.db2.gz XYDDFKHVZBDKGH-UITAMQMPSA-N -2 3 353.363 3.085 20 0 FGADHL CC(C)Oc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1-c1nnn[n-]1 ZINC000824329962 608816043 /nfs/dbraw/zinc/81/60/43/608816043.db2.gz ZBHLBBGTHURONY-UHFFFAOYSA-N -2 3 373.800 3.265 20 0 FGADHL CC(C)Oc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1-c1nn[n-]n1 ZINC000824329962 608816044 /nfs/dbraw/zinc/81/60/44/608816044.db2.gz ZBHLBBGTHURONY-UHFFFAOYSA-N -2 3 373.800 3.265 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)c1nc(C)cs1 ZINC000185007436 712681124 /nfs/dbraw/zinc/68/11/24/712681124.db2.gz TWYBXRPGQOJANM-LBPRGKRZSA-N -2 3 372.443 3.027 20 0 FGADHL N#C/C(=C\c1ccc([O-])cc1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000185909262 712704595 /nfs/dbraw/zinc/70/45/95/712704595.db2.gz IOUYNHYGUMBJSH-BJMVGYQFSA-N -2 3 359.725 3.205 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793416851 723436034 /nfs/dbraw/zinc/43/60/34/723436034.db2.gz RGVJGZQZBSZBPQ-UHFFFAOYSA-N -2 3 367.398 3.422 20 0 FGADHL CC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000794917369 723551655 /nfs/dbraw/zinc/55/16/55/723551655.db2.gz ZWSSVVSQQPZLQM-UHFFFAOYSA-N -2 3 352.239 3.160 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c1Cl ZINC000917842024 758274510 /nfs/dbraw/zinc/27/45/10/758274510.db2.gz CPUSXUOVXWCTMU-UHFFFAOYSA-N -2 3 366.266 3.368 20 0 FGADHL O=C(Nc1ccccc1[O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000057626187 221091534 /nfs/dbraw/zinc/09/15/34/221091534.db2.gz ICEWPMCTXAIHKJ-UHFFFAOYSA-N -2 3 368.414 3.445 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Br ZINC000070140418 221331705 /nfs/dbraw/zinc/33/17/05/221331705.db2.gz NCMQSKWOXRGZIW-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL COCCOCc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000649593265 450599681 /nfs/dbraw/zinc/59/96/81/450599681.db2.gz ONUBOQLDNNGUFX-UHFFFAOYSA-N -2 3 371.842 3.009 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000580182863 505697578 /nfs/dbraw/zinc/69/75/78/505697578.db2.gz IYHWUQOARRLRRV-IAQYHMDHSA-N -2 3 353.415 3.003 20 0 FGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000013269547 494283443 /nfs/dbraw/zinc/28/34/43/494283443.db2.gz YWODOYFBZHLMHV-UHFFFAOYSA-N -2 3 353.783 3.042 20 0 FGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000024433284 494629670 /nfs/dbraw/zinc/62/96/70/494629670.db2.gz FSHRROMIYJGPLC-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000057178040 494669038 /nfs/dbraw/zinc/66/90/38/494669038.db2.gz LGYNUMKKHONGGM-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185008387 496620245 /nfs/dbraw/zinc/62/02/45/496620245.db2.gz AOVXZXJNOVWWRC-LBPRGKRZSA-N -2 3 374.871 3.233 20 0 FGADHL Cc1ccc(OC(F)F)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000195503370 496943582 /nfs/dbraw/zinc/94/35/82/496943582.db2.gz LRICIKRKQDHDHU-QPJJXVBHSA-N -2 3 364.348 3.176 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)o1 ZINC000569227074 505884062 /nfs/dbraw/zinc/88/40/62/505884062.db2.gz RIBMZALSJDIDAI-HNNXBMFYSA-N -2 3 351.424 3.206 20 0 FGADHL Cc1nc(C=Cc2ccccc2OC(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000193404465 497371851 /nfs/dbraw/zinc/37/18/51/497371851.db2.gz YUDHPQVVUNRJAR-SOFGYWHQSA-N -2 3 368.311 3.165 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c1 ZINC000575370426 505969031 /nfs/dbraw/zinc/96/90/31/505969031.db2.gz NQUXVHYRBKEPNA-UHFFFAOYSA-N -2 3 361.419 3.111 20 0 FGADHL CSCCO[N-]C(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000281338677 498111068 /nfs/dbraw/zinc/11/10/68/498111068.db2.gz KBXNTWAUGVTKHQ-UHFFFAOYSA-N -2 3 356.498 3.247 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000572793228 506053602 /nfs/dbraw/zinc/05/36/02/506053602.db2.gz RYJHPYDSTOZZGB-NSHDSACASA-N -2 3 366.247 3.159 20 0 FGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000321981903 498814550 /nfs/dbraw/zinc/81/45/50/498814550.db2.gz COIMSERLJGYVAG-MRVPVSSYSA-N -2 3 373.780 3.281 20 0 FGADHL CC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000576359309 506138969 /nfs/dbraw/zinc/13/89/69/506138969.db2.gz YXMXYGUWBOIHSJ-NSHDSACASA-N -2 3 355.843 3.272 20 0 FGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000387933106 499550365 /nfs/dbraw/zinc/55/03/65/499550365.db2.gz DAYMOEPWFIWPOE-ZJUUUORDSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cs1 ZINC000390028848 499553976 /nfs/dbraw/zinc/55/39/76/499553976.db2.gz XFLPVROIBDWXJU-UHFFFAOYSA-N -2 3 369.317 3.405 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c(C)c1 ZINC000392263754 499558414 /nfs/dbraw/zinc/55/84/14/499558414.db2.gz KVBVFWUXWBUFRD-UHFFFAOYSA-N -2 3 363.435 3.455 20 0 FGADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000421147879 499971891 /nfs/dbraw/zinc/97/18/91/499971891.db2.gz GEDIPMNBDBLSPD-OAHLLOKOSA-N -2 3 369.870 3.353 20 0 FGADHL C[C@H]1CCCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])[C@H]1C(=O)[O-] ZINC000424271293 500479355 /nfs/dbraw/zinc/47/93/55/500479355.db2.gz YODDKGPTOLSZMW-IFXJQAMLSA-N -2 3 369.417 3.297 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)ccc1[O-] ZINC000447277712 500583573 /nfs/dbraw/zinc/58/35/73/500583573.db2.gz KALBJADMYYIQHF-UHFFFAOYSA-N -2 3 360.435 3.419 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000570633222 506208254 /nfs/dbraw/zinc/20/82/54/506208254.db2.gz PPMXUKVGSUFJRI-NSHDSACASA-N -2 3 365.854 3.429 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)cc1C(=O)[O-] ZINC000440815134 501051747 /nfs/dbraw/zinc/05/17/47/501051747.db2.gz SAAGOMRMMXTPBE-UHFFFAOYSA-N -2 3 371.361 3.035 20 0 FGADHL CCCc1n[n-]c(=NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)s1 ZINC000436155665 501079714 /nfs/dbraw/zinc/07/97/14/501079714.db2.gz SMFVPBMGEDFOND-UHFFFAOYSA-N -2 3 367.430 3.101 20 0 FGADHL CSCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1 ZINC000436738652 501201268 /nfs/dbraw/zinc/20/12/68/501201268.db2.gz LZZDISAOFNORSL-UHFFFAOYSA-N -2 3 367.448 3.063 20 0 FGADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000485394334 501807817 /nfs/dbraw/zinc/80/78/17/501807817.db2.gz VTZHSGHAQFRLDL-UHFFFAOYSA-N -2 3 362.382 3.423 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1Cl ZINC000471134803 501931682 /nfs/dbraw/zinc/93/16/82/501931682.db2.gz ZSXBLNKIXXAPDC-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C1CC1 ZINC000479534762 502288807 /nfs/dbraw/zinc/28/88/07/502288807.db2.gz XTDUCHRAKSAMAY-UHFFFAOYSA-N -2 3 361.419 3.137 20 0 FGADHL CSCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477421266 502770166 /nfs/dbraw/zinc/77/01/66/502770166.db2.gz ATCWUZPYIZMFKY-UHFFFAOYSA-N -2 3 365.476 3.400 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505315839 502888275 /nfs/dbraw/zinc/88/82/75/502888275.db2.gz DGTVCTZIXVKCFO-UHFFFAOYSA-N -2 3 370.386 3.373 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)[n-]n2)o1 ZINC000502716151 503257182 /nfs/dbraw/zinc/25/71/82/503257182.db2.gz MWCXFAIJXMEYFK-UHFFFAOYSA-N -2 3 351.391 3.171 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3nc(-c4ccccc4)[n-]s3)n[n-]2)o1 ZINC000502716151 503257185 /nfs/dbraw/zinc/25/71/85/503257185.db2.gz MWCXFAIJXMEYFK-UHFFFAOYSA-N -2 3 351.391 3.171 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(-c4ccccc4)s3)n[n-]2)o1 ZINC000491322513 503296591 /nfs/dbraw/zinc/29/65/91/503296591.db2.gz KGJYVBAGBJZRSE-UHFFFAOYSA-N -2 3 351.391 3.171 20 0 FGADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(-c4ccccc4)s3)[n-]n2)o1 ZINC000491322513 503296594 /nfs/dbraw/zinc/29/65/94/503296594.db2.gz KGJYVBAGBJZRSE-UHFFFAOYSA-N -2 3 351.391 3.171 20 0 FGADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512728687 503621678 /nfs/dbraw/zinc/62/16/78/503621678.db2.gz HEVABAQWYSJLAO-UHFFFAOYSA-N -2 3 363.435 3.339 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1Cl ZINC000512785303 503631225 /nfs/dbraw/zinc/63/12/25/503631225.db2.gz GOVKEYKNAWKCKL-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1F ZINC000541163561 504027263 /nfs/dbraw/zinc/02/72/63/504027263.db2.gz BCVXTTBKXWDUTM-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547571798 504149500 /nfs/dbraw/zinc/14/95/00/504149500.db2.gz GPPVPHPONHDAHD-VIFPVBQESA-N -2 3 371.352 3.156 20 0 FGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1F ZINC000547615723 504156480 /nfs/dbraw/zinc/15/64/80/504156480.db2.gz SLKPYLZAQJVBLD-UHFFFAOYSA-N -2 3 367.373 3.343 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc(C)c1F ZINC000547901642 504260536 /nfs/dbraw/zinc/26/05/36/504260536.db2.gz HLFYPRAOGDAISB-UHFFFAOYSA-N -2 3 359.325 3.220 20 0 FGADHL O=C([O-])[C@H](CCCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547900870 504260708 /nfs/dbraw/zinc/26/07/08/504260708.db2.gz BHSNVFFKNPEXKD-LBPRGKRZSA-N -2 3 373.883 3.156 20 0 FGADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547913935 504262479 /nfs/dbraw/zinc/26/24/79/504262479.db2.gz XRMVMUWGJRZHLF-UWVGGRQHSA-N -2 3 351.877 3.103 20 0 FGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547938256 504265639 /nfs/dbraw/zinc/26/56/39/504265639.db2.gz OKTMNGKNTNNFDO-UHFFFAOYSA-N -2 3 369.345 3.057 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000548227881 504371256 /nfs/dbraw/zinc/37/12/56/504371256.db2.gz XELPUOPAOOFRSV-UHFFFAOYSA-N -2 3 371.842 3.318 20 0 FGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000548246849 504374677 /nfs/dbraw/zinc/37/46/77/504374677.db2.gz AHAPCEFDWFRRRQ-JTQLQIEISA-N -2 3 363.819 3.035 20 0 FGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548262868 504377789 /nfs/dbraw/zinc/37/77/89/504377789.db2.gz DHZCTWRJRHOSCO-LLVKDONJSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548541165 504480389 /nfs/dbraw/zinc/48/03/89/504480389.db2.gz XEHXEGRVPURDFV-LBPRGKRZSA-N -2 3 365.373 3.017 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000548557936 504482261 /nfs/dbraw/zinc/48/22/61/504482261.db2.gz VOQYKEOEJXEKEH-SNVBAGLBSA-N -2 3 353.362 3.017 20 0 FGADHL Cc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1OC(F)F ZINC000556779282 504971778 /nfs/dbraw/zinc/97/17/78/504971778.db2.gz SHMWKDRJPRMTFZ-SREVYHEPSA-N -2 3 350.321 3.198 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c1 ZINC000556831915 504988413 /nfs/dbraw/zinc/98/84/13/504988413.db2.gz BDXAYDPOZYWWNO-LBPRGKRZSA-N -2 3 357.840 3.066 20 0 FGADHL O=C(c1nn(-c2cccc(F)c2)cc1[O-])N1CCCc2cccc([O-])c21 ZINC000550698772 505086037 /nfs/dbraw/zinc/08/60/37/505086037.db2.gz CMPJVQFMPOMQKM-UHFFFAOYSA-N -2 3 353.353 3.016 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1C(=O)[O-] ZINC000589937936 506682975 /nfs/dbraw/zinc/68/29/75/506682975.db2.gz NDGZMPUEIAYDAH-UHFFFAOYSA-N -2 3 374.418 3.374 20 0 FGADHL CC[C@@H](CC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000584037950 507116968 /nfs/dbraw/zinc/11/69/68/507116968.db2.gz NQGJPCRTAQWCBX-JTQLQIEISA-N -2 3 359.831 3.174 20 0 FGADHL COc1ccc(C=Cc2cc(C(=O)[O-])c3ccccc3n2)cc1-c1nnn[n-]1 ZINC000737082490 599153124 /nfs/dbraw/zinc/15/31/24/599153124.db2.gz VXHIFPPXKNRBJW-VURMDHGXSA-N -2 3 373.372 3.292 20 0 FGADHL COc1ccc(C=Cc2cc(C(=O)[O-])c3ccccc3n2)cc1-c1nn[n-]n1 ZINC000737082490 599153127 /nfs/dbraw/zinc/15/31/27/599153127.db2.gz VXHIFPPXKNRBJW-VURMDHGXSA-N -2 3 373.372 3.292 20 0 FGADHL CN(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1)C(=O)[O-] ZINC000737485897 600299252 /nfs/dbraw/zinc/29/92/52/600299252.db2.gz KRHYMQIXIDSNKC-UHFFFAOYSA-N -2 3 360.435 3.086 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000833028742 601218647 /nfs/dbraw/zinc/21/86/47/601218647.db2.gz QAUZQQCSINAJGC-ZETCQYMHSA-N -2 3 361.778 3.118 20 0 FGADHL Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832921621 601237209 /nfs/dbraw/zinc/23/72/09/601237209.db2.gz PDROHIUNILBGLM-NSHDSACASA-N -2 3 369.389 3.053 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1C(=O)[O-] ZINC000832972597 601476060 /nfs/dbraw/zinc/47/60/60/601476060.db2.gz HHCVKWWYEFVSPZ-UHFFFAOYSA-N -2 3 371.361 3.138 20 0 FGADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000833021144 601747811 /nfs/dbraw/zinc/74/78/11/601747811.db2.gz OZXVDVNDSFFBHG-UHFFFAOYSA-N -2 3 363.317 3.118 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c1Cl ZINC000680361654 601994739 /nfs/dbraw/zinc/99/47/39/601994739.db2.gz RPWZSLHTQAZVOR-UHFFFAOYSA-N -2 3 374.245 3.479 20 0 FGADHL O=C([O-])NC[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000740625416 602027973 /nfs/dbraw/zinc/02/79/73/602027973.db2.gz QQONIWFPMKLJDH-QGZVFWFLSA-N -2 3 368.433 3.103 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)c1 ZINC000829510999 603401695 /nfs/dbraw/zinc/40/16/95/603401695.db2.gz RDEGYZHEBRSODR-GFCCVEGCSA-N -2 3 364.423 3.133 20 0 FGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000031665550 695738152 /nfs/dbraw/zinc/73/81/52/695738152.db2.gz BDYHVNYSQCEZCI-UHFFFAOYSA-N -2 3 357.387 3.353 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1F ZINC000180021535 705725010 /nfs/dbraw/zinc/72/50/10/705725010.db2.gz PESJZAJJXGYMCH-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641687305 717920989 /nfs/dbraw/zinc/92/09/89/717920989.db2.gz NALBJPWEOUWIHG-ZDUSSCGKSA-N -2 3 355.843 3.045 20 0 FGADHL Cc1nc(C=Cc2cscc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504722568 714115723 /nfs/dbraw/zinc/11/57/23/714115723.db2.gz VXTUDRVCNZVBDQ-IHWYPQMZSA-N -2 3 355.213 3.112 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c(C)c1C(=O)[O-] ZINC000647918974 718386928 /nfs/dbraw/zinc/38/69/28/718386928.db2.gz GDCFFYMLYGGDBS-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC(C)C)oc1C(=O)[O-] ZINC000663421621 720511675 /nfs/dbraw/zinc/51/16/75/720511675.db2.gz WEQZIEPAWHLGFS-GFCCVEGCSA-N -2 3 367.423 3.113 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)oc1C(=O)[O-] ZINC000663422635 720511872 /nfs/dbraw/zinc/51/18/72/720511872.db2.gz GMXFSWFGEZDONG-OCCSQVGLSA-N -2 3 367.398 3.040 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000743262897 722565348 /nfs/dbraw/zinc/56/53/48/722565348.db2.gz COLRCBGRHOOOHM-UHFFFAOYSA-N -2 3 359.403 3.122 20 0 FGADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2F)cc1C(=O)[O-] ZINC000790403862 723135975 /nfs/dbraw/zinc/13/59/75/723135975.db2.gz KHDKJZFQNHONAV-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000579561285 505575729 /nfs/dbraw/zinc/57/57/29/505575729.db2.gz AHNRKOQSNKVHFP-CMPLNLGQSA-N -2 3 363.838 3.181 20 0 FGADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000570798874 505583805 /nfs/dbraw/zinc/58/38/05/505583805.db2.gz GANGRSUDBKVJHS-JQWIXIFHSA-N -2 3 373.883 3.012 20 0 FGADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)C[C@H]3CCCCC3(F)F)ccc12 ZINC000573660158 505590311 /nfs/dbraw/zinc/59/03/11/505590311.db2.gz TULAJGWVUDFHPA-SNVBAGLBSA-N -2 3 372.393 3.433 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000047948972 493766050 /nfs/dbraw/zinc/76/60/50/493766050.db2.gz LHARPRQGEKHCLN-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000574161631 505708927 /nfs/dbraw/zinc/70/89/27/505708927.db2.gz UOROEQJMQMIKAI-TZMCWYRMSA-N -2 3 367.854 3.272 20 0 FGADHL Cc1cc(Cl)cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1[O-] ZINC000133470287 495018491 /nfs/dbraw/zinc/01/84/91/495018491.db2.gz IPICVHZKOLXGET-GTNSWQLSSA-N -2 3 371.886 3.491 20 0 FGADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc([O-])c(Cl)c3)n2)cc1 ZINC000182871350 495735513 /nfs/dbraw/zinc/73/55/13/495735513.db2.gz LCAGCYPPTQOENM-UHFFFAOYSA-N -2 3 359.769 3.198 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)c([O-])c(F)c1 ZINC000186880637 496193207 /nfs/dbraw/zinc/19/32/07/496193207.db2.gz NJQNTSPYAPFWOB-UHFFFAOYSA-N -2 3 358.138 3.069 20 0 FGADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000263341531 497761742 /nfs/dbraw/zinc/76/17/42/497761742.db2.gz NNYZGJWLWFEPDQ-GDBMZVCRSA-N -2 3 369.417 3.154 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000320664517 498809676 /nfs/dbraw/zinc/80/96/76/498809676.db2.gz KMXKJTIQZSOZRO-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000322400593 498818355 /nfs/dbraw/zinc/81/83/55/498818355.db2.gz TYLZODZIUPXNPA-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL O=c1cc(CSc2n[n-]c(=NC3CCCCC3)s2)nc(C2CC2)[n-]1 ZINC000576207793 506102399 /nfs/dbraw/zinc/10/23/99/506102399.db2.gz UTQQPZXSAFPYRM-UHFFFAOYSA-N -2 3 363.512 3.370 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1C ZINC000328361217 498868587 /nfs/dbraw/zinc/86/85/87/498868587.db2.gz IRCTVFCXPQUFGB-LBPRGKRZSA-N -2 3 363.435 3.383 20 0 FGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000391300619 499556858 /nfs/dbraw/zinc/55/68/58/499556858.db2.gz UTPVCNFNLYROBJ-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000391794497 499557229 /nfs/dbraw/zinc/55/72/29/499557229.db2.gz HUOBNXVOODRWCH-VIFPVBQESA-N -2 3 373.780 3.281 20 0 FGADHL C[C@@H](CS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-])c1ccccc1 ZINC000391726815 499557383 /nfs/dbraw/zinc/55/73/83/499557383.db2.gz SEXDBPULYGRHCZ-JTQLQIEISA-N -2 3 355.362 3.208 20 0 FGADHL O=S(=O)(CCc1ccccc1)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000442832135 500632799 /nfs/dbraw/zinc/63/27/99/500632799.db2.gz CRJKPDLGMPRZAR-UHFFFAOYSA-N -2 3 361.341 3.275 20 0 FGADHL COc1ccc2oc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cc2c1 ZINC000443448082 500725733 /nfs/dbraw/zinc/72/57/33/500725733.db2.gz XPIRNYHCPZSDGT-DAXSKMNVSA-N -2 3 354.362 3.433 20 0 FGADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000455812940 501391794 /nfs/dbraw/zinc/39/17/94/501391794.db2.gz QAGAUYDULHNHGS-AWEZNQCLSA-N -2 3 357.406 3.297 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cs1 ZINC000476391458 502476982 /nfs/dbraw/zinc/47/69/82/502476982.db2.gz KZBWFRFRLAQQSZ-UHFFFAOYSA-N -2 3 353.755 3.179 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Br)c(F)c1 ZINC000504247838 503543616 /nfs/dbraw/zinc/54/36/16/503543616.db2.gz WTBIYZXGSMDBDP-UHFFFAOYSA-N -2 3 364.167 3.234 20 0 FGADHL Cc1nc(C=Cc2ccc(-c3ccncc3)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504713691 503607468 /nfs/dbraw/zinc/60/74/68/503607468.db2.gz YGTIGXUGCPUCKK-SNAWJCMRSA-N -2 3 365.364 3.489 20 0 FGADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000547556655 504147753 /nfs/dbraw/zinc/14/77/53/504147753.db2.gz BDCYQOJCOFSYCM-CQSZACIVSA-N -2 3 371.817 3.364 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000548210333 504369202 /nfs/dbraw/zinc/36/92/02/504369202.db2.gz KCZNPZVWUYZGIK-CYBMUJFWSA-N -2 3 374.245 3.406 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000548536093 504479248 /nfs/dbraw/zinc/47/92/48/504479248.db2.gz ULXBHVVGTHSORU-HNNXBMFYSA-N -2 3 369.389 3.158 20 0 FGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1 ZINC000548594763 504488322 /nfs/dbraw/zinc/48/83/22/504488322.db2.gz QTEUKXJKSOOONN-GFCCVEGCSA-N -2 3 371.817 3.016 20 0 FGADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC000563070457 505039169 /nfs/dbraw/zinc/03/91/69/505039169.db2.gz ZBBXBOCVIDROKU-CYBMUJFWSA-N -2 3 359.350 3.076 20 0 FGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000564858809 505541636 /nfs/dbraw/zinc/54/16/36/505541636.db2.gz HXYITGFYZBLGRH-CQSZACIVSA-N -2 3 355.843 3.271 20 0 FGADHL O=C(COc1ccc2cc(Br)ccc2c1)N=c1ccc([O-])n[n-]1 ZINC000484477971 514664950 /nfs/dbraw/zinc/66/49/50/514664950.db2.gz SRPLOCYXTJGKMK-UHFFFAOYSA-N -2 3 374.194 3.115 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)o1 ZINC000319963950 599767412 /nfs/dbraw/zinc/76/74/12/599767412.db2.gz DIGKPWREVAGODK-JTQLQIEISA-N -2 3 373.839 3.147 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2Cc2ccccc2)o1 ZINC000740175127 599778484 /nfs/dbraw/zinc/77/84/84/599778484.db2.gz GMBRYLGVOIWGMR-LSDHHAIUSA-N -2 3 363.435 3.058 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)c(OC(F)F)c1 ZINC000740155316 600237814 /nfs/dbraw/zinc/23/78/14/600237814.db2.gz RNCUDMPSUJIVCU-CMDGGOBGSA-N -2 3 369.345 3.399 20 0 FGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000737230464 600258517 /nfs/dbraw/zinc/25/85/17/600258517.db2.gz YMOWDTDPGMYOKI-UHFFFAOYSA-N -2 3 353.421 3.003 20 0 FGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000740075844 600893685 /nfs/dbraw/zinc/89/36/85/600893685.db2.gz QATRGHBJWRWJHF-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1F ZINC000833294661 601229433 /nfs/dbraw/zinc/22/94/33/601229433.db2.gz FDFJUWLMSPXIPV-QJPTWQEYSA-N -2 3 373.421 3.300 20 0 FGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(Cl)c1 ZINC000832950637 601382900 /nfs/dbraw/zinc/38/29/00/601382900.db2.gz QXUALSKQUKOGTD-UHFFFAOYSA-N -2 3 361.206 3.196 20 0 FGADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000828672363 601478919 /nfs/dbraw/zinc/47/89/19/601478919.db2.gz QPGVWDQYIKUTIT-LBPRGKRZSA-N -2 3 373.780 3.281 20 0 FGADHL Cc1sc2[n-]c([C@H](C)OC(=O)CC(C)(C)NC(=O)[O-])nc(=O)c2c1C ZINC000740276661 603135276 /nfs/dbraw/zinc/13/52/76/603135276.db2.gz ULHNUYLQZOPDHX-QMMMGPOBSA-N -2 3 367.427 3.054 20 0 FGADHL O=C([O-])Nc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000832841671 604099883 /nfs/dbraw/zinc/09/98/83/604099883.db2.gz KUTBENAJTPRQHJ-UHFFFAOYSA-N -2 3 365.183 3.426 20 0 FGADHL CCc1ccc([O-])c(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000830253666 604780919 /nfs/dbraw/zinc/78/09/19/604780919.db2.gz KMGCCICYCBNIKW-UHFFFAOYSA-N -2 3 368.433 3.370 20 0 FGADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000427302577 714019286 /nfs/dbraw/zinc/01/92/86/714019286.db2.gz RONXXINUPHDULW-UHFFFAOYSA-N -2 3 365.382 3.163 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1Cl ZINC000507582652 714120176 /nfs/dbraw/zinc/12/01/76/714120176.db2.gz NFXUKTLXCUBASN-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000646032431 718259234 /nfs/dbraw/zinc/25/92/34/718259234.db2.gz OIWPWADLLZOAOD-CMPLNLGQSA-N -2 3 371.842 3.316 20 0 FGADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c(-c2ccccc2)s1 ZINC000663286187 720497635 /nfs/dbraw/zinc/49/76/35/720497635.db2.gz OUZZNLMRKLKDFY-NSHDSACASA-N -2 3 368.480 3.040 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2c3cccc(F)c3CC[C@@H]2C)oc1C(=O)[O-] ZINC000663424701 720512274 /nfs/dbraw/zinc/51/22/74/720512274.db2.gz RGUABDWELJIIOJ-VFZGTOFNSA-N -2 3 367.398 3.027 20 0 FGADHL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000674050747 721681298 /nfs/dbraw/zinc/68/12/98/721681298.db2.gz WKCSLMAVDLFZNL-UHFFFAOYSA-N -2 3 360.366 3.181 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC000680361633 722108974 /nfs/dbraw/zinc/10/89/74/722108974.db2.gz QLZNVTZVMYJUBB-UHFFFAOYSA-N -2 3 363.366 3.057 20 0 FGADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C(=O)[O-] ZINC000790381776 723133725 /nfs/dbraw/zinc/13/37/25/723133725.db2.gz AEVOPEYFEXVKNM-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Cl)c1[O-] ZINC000775779807 724060415 /nfs/dbraw/zinc/06/04/15/724060415.db2.gz HNFLBKZHYNIGFZ-UHFFFAOYSA-N -2 3 356.603 3.444 20 0 FGADHL C[C@H]1CCN(Cc2cccc([O-])c2Cl)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000816612451 727180721 /nfs/dbraw/zinc/18/07/21/727180721.db2.gz OTXITZQQUZCRFR-BHDSKKPTSA-N -2 3 364.795 3.323 20 0 FGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)CC(F)(F)F ZINC000840899567 730189195 /nfs/dbraw/zinc/18/91/95/730189195.db2.gz PNOBRHDVWCMCLV-VIFPVBQESA-N -2 3 371.352 3.089 20 0 FGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1nccs1 ZINC000571043321 505640280 /nfs/dbraw/zinc/64/02/80/505640280.db2.gz HUGCLYAWSHMOBB-CQSZACIVSA-N -2 3 374.871 3.098 20 0 FGADHL Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000568389472 505683248 /nfs/dbraw/zinc/68/32/48/505683248.db2.gz KQHJBWUOQJLLSJ-UHFFFAOYSA-N -2 3 374.871 3.017 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Br)cs1 ZINC000070156375 494041530 /nfs/dbraw/zinc/04/15/30/494041530.db2.gz QMYWHJUIEGPNAP-UHFFFAOYSA-N -2 3 362.226 3.010 20 0 FGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(F)cc1C(F)(F)F ZINC000131515916 494645205 /nfs/dbraw/zinc/64/52/05/494645205.db2.gz JMCANJKQTUSUGB-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000129112723 495197570 /nfs/dbraw/zinc/19/75/70/495197570.db2.gz DIKGSSSHQMMVJD-UHFFFAOYSA-N -2 3 369.446 3.163 20 0 FGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000179724329 495705064 /nfs/dbraw/zinc/70/50/64/495705064.db2.gz JACKKUCSBUJGIX-UHFFFAOYSA-N -2 3 354.815 3.060 20 0 FGADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000175025012 496214330 /nfs/dbraw/zinc/21/43/30/496214330.db2.gz ABWGAYKRWLVHKU-KRWDZBQOSA-N -2 3 361.463 3.294 20 0 FGADHL CC(C)c1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c(C(C)C)c1 ZINC000577986159 505834759 /nfs/dbraw/zinc/83/47/59/505834759.db2.gz VMPHWMZEAXPZMX-ZDUSSCGKSA-N -2 3 372.469 3.483 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000175687761 496500412 /nfs/dbraw/zinc/50/04/12/496500412.db2.gz MNZNRKUOZOUFPH-UHFFFAOYSA-N -2 3 374.340 3.170 20 0 FGADHL O=C([O-])C1CCC(NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000263387227 497773783 /nfs/dbraw/zinc/77/37/83/497773783.db2.gz CVENQPCRKYIAJV-UHFFFAOYSA-N -2 3 353.831 3.165 20 0 FGADHL O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1c(F)ccc([O-])c1F ZINC000576073962 506069173 /nfs/dbraw/zinc/06/91/73/506069173.db2.gz VRYJBKZKIJDUGD-UHFFFAOYSA-N -2 3 350.712 3.361 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c1Cl ZINC000572961531 506092195 /nfs/dbraw/zinc/09/21/95/506092195.db2.gz HFPVWTFQJNBPDD-GXSJLCMTSA-N -2 3 366.266 3.224 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(Cl)cc1F ZINC000323597030 498821593 /nfs/dbraw/zinc/82/15/93/498821593.db2.gz HLWDVINCGHWHQB-UHFFFAOYSA-N -2 3 357.790 3.215 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000325107012 498834232 /nfs/dbraw/zinc/83/42/32/498834232.db2.gz XJWUXGGUCSSJAI-UHFFFAOYSA-N -2 3 353.371 3.114 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1F ZINC000327005065 498850342 /nfs/dbraw/zinc/85/03/42/498850342.db2.gz XBAAWGWCDSDAPA-UHFFFAOYSA-N -2 3 365.426 3.487 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000327159760 498853143 /nfs/dbraw/zinc/85/31/43/498853143.db2.gz HMHFAGVVVVGGJO-UHFFFAOYSA-N -2 3 363.435 3.248 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000414189129 499767159 /nfs/dbraw/zinc/76/71/59/499767159.db2.gz RBCJNUMUMBLFRV-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000414320871 499777537 /nfs/dbraw/zinc/77/75/37/499777537.db2.gz BLJLLPQNAYWJJC-WPRPVWTQSA-N -2 3 371.402 3.236 20 0 FGADHL Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc2s1 ZINC000427128886 500357013 /nfs/dbraw/zinc/35/70/13/500357013.db2.gz RDBQSZDJCIRXQP-UHFFFAOYSA-N -2 3 366.395 3.243 20 0 FGADHL COc1ccc(-c2cc3[n-]c(-c4ccc([O-])cn4)nc(=O)c3s2)cc1 ZINC000427467901 500396651 /nfs/dbraw/zinc/39/66/51/500396651.db2.gz XMPAKOARHUEIAF-UHFFFAOYSA-N -2 3 351.387 3.428 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1Cl ZINC000432734695 500554424 /nfs/dbraw/zinc/55/44/24/500554424.db2.gz XBXZDUNCWGOODN-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C(=O)[O-] ZINC000442245492 500575328 /nfs/dbraw/zinc/57/53/28/500575328.db2.gz XMEOVHRTJNPYOJ-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1nc(C=Cc2cn(C)nc2-c2ccccc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443445219 500725856 /nfs/dbraw/zinc/72/58/56/500725856.db2.gz MESQBHQUGXCSBU-NTMALXAHSA-N -2 3 364.405 3.079 20 0 FGADHL O=S(=O)([N-]c1ccc2nccnc2c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478082 501134717 /nfs/dbraw/zinc/13/47/17/501134717.db2.gz OMDYIBNVUDSKKF-UHFFFAOYSA-N -2 3 369.324 3.155 20 0 FGADHL O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc([O-])c(Cl)c1 ZINC000436640953 501176550 /nfs/dbraw/zinc/17/65/50/501176550.db2.gz SBZYOPCLAFQPON-UHFFFAOYSA-N -2 3 366.602 3.130 20 0 FGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)ccc1[O-] ZINC000481616606 501833534 /nfs/dbraw/zinc/83/35/34/501833534.db2.gz VWNSAKGPMVIAGJ-UHFFFAOYSA-N -2 3 371.418 3.008 20 0 FGADHL O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cccc(Br)c1[O-] ZINC000592845465 506274904 /nfs/dbraw/zinc/27/49/04/506274904.db2.gz WEPLZVUIKVLNFW-UHFFFAOYSA-N -2 3 358.195 3.219 20 0 FGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000479245473 502203934 /nfs/dbraw/zinc/20/39/34/502203934.db2.gz CZMQLIXTMXPZHC-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)cc1C(=O)[O-] ZINC000468925251 502233113 /nfs/dbraw/zinc/23/31/13/502233113.db2.gz KGPZKLSEOODDOE-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL Cc1nc(C=Cc2csc(-c3cccs3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000470263841 502720155 /nfs/dbraw/zinc/72/01/55/502720155.db2.gz OOUXEARQINXDFL-PLNGDYQASA-N -2 3 359.432 3.473 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000477408939 502766978 /nfs/dbraw/zinc/76/69/78/502766978.db2.gz ZSDFBOTVPZVAQQ-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL CC(C)OCCS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000501266244 502970978 /nfs/dbraw/zinc/97/09/78/502970978.db2.gz LWBRAAGSZJMOEJ-UHFFFAOYSA-N -2 3 369.464 3.280 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(Cl)cc1F ZINC000507583038 503327147 /nfs/dbraw/zinc/32/71/47/503327147.db2.gz ZTEDTQSNJCEUOU-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccccc1-c1cc(=NC(=O)c2[n-]cnc2C(=O)c2ccccc2)[nH][n-]1 ZINC000493319303 503419942 /nfs/dbraw/zinc/41/99/42/503419942.db2.gz JBCBJDBNMABEQN-UHFFFAOYSA-N -2 3 371.400 3.013 20 0 FGADHL Cc1ccccc1-c1cc(=NC(=O)c2nc[n-]c2C(=O)c2ccccc2)[nH][n-]1 ZINC000493319303 503419945 /nfs/dbraw/zinc/41/99/45/503419945.db2.gz JBCBJDBNMABEQN-UHFFFAOYSA-N -2 3 371.400 3.013 20 0 FGADHL Cc1nc(C=Cc2cnc(-c3ccsc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728664 503609038 /nfs/dbraw/zinc/60/90/38/503609038.db2.gz FYAXKDVTKGYDNC-NSCUHMNNSA-N -2 3 359.432 3.473 20 0 FGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000500378039 503610787 /nfs/dbraw/zinc/61/07/87/503610787.db2.gz ZODOAUATWNVABU-UHFFFAOYSA-N -2 3 363.435 3.212 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000546959951 503938553 /nfs/dbraw/zinc/93/85/53/503938553.db2.gz KDEKHEIAXHIBBE-UKRRQHHQSA-N -2 3 365.476 3.136 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)sc1Cl ZINC000530383311 503944123 /nfs/dbraw/zinc/94/41/23/503944123.db2.gz VEIJLNBPBZTQRB-ZDUSSCGKSA-N -2 3 373.883 3.431 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1Cl ZINC000530487584 503982493 /nfs/dbraw/zinc/98/24/93/503982493.db2.gz GOHXUMVFNUUUJK-GWCFXTLKSA-N -2 3 373.883 3.450 20 0 FGADHL O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cccc([O-])c1F ZINC000541305008 504081635 /nfs/dbraw/zinc/08/16/35/504081635.db2.gz WSBHZPBGADARFK-UHFFFAOYSA-N -2 3 366.345 3.267 20 0 FGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000547554667 504147548 /nfs/dbraw/zinc/14/75/48/504147548.db2.gz WEQHOJOKRHSFTN-SECBINFHSA-N -2 3 368.282 3.409 20 0 FGADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000547556649 504148031 /nfs/dbraw/zinc/14/80/31/504148031.db2.gz BDCYQOJCOFSYCM-AWEZNQCLSA-N -2 3 371.817 3.364 20 0 FGADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000547563614 504148428 /nfs/dbraw/zinc/14/84/28/504148428.db2.gz VCUMJVJWZFNKNV-CQSZACIVSA-N -2 3 368.480 3.069 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000547574729 504150037 /nfs/dbraw/zinc/15/00/37/504150037.db2.gz AFVRZDHOMIZYRI-SECBINFHSA-N -2 3 354.255 3.305 20 0 FGADHL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000547611806 504155643 /nfs/dbraw/zinc/15/56/43/504155643.db2.gz UZSMACHGZKYLMU-AWEZNQCLSA-N -2 3 371.817 3.200 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000547901214 504260204 /nfs/dbraw/zinc/26/02/04/504260204.db2.gz QEQOJSGDPMCKGE-GFCCVEGCSA-N -2 3 368.480 3.122 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(F)cc1F ZINC000547936844 504265573 /nfs/dbraw/zinc/26/55/73/504265573.db2.gz NXIQUAVATMZDMV-MEDUHNTESA-N -2 3 369.389 3.014 20 0 FGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547937786 504266006 /nfs/dbraw/zinc/26/60/06/504266006.db2.gz FPIIVUCHDDDKTN-LLVKDONJSA-N -2 3 371.352 3.012 20 0 FGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548117533 504336643 /nfs/dbraw/zinc/33/66/43/504336643.db2.gz LDMXMJXYLGCVOQ-UHFFFAOYSA-N -2 3 361.872 3.478 20 0 FGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000548264640 504377494 /nfs/dbraw/zinc/37/74/94/504377494.db2.gz OZACWPSJZTVEAB-BXKDBHETSA-N -2 3 351.827 3.037 20 0 FGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000535512531 504456697 /nfs/dbraw/zinc/45/66/97/504456697.db2.gz YBVXOKXTZOFKON-CPCISQLKSA-N -2 3 354.255 3.079 20 0 FGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C(=O)[O-] ZINC000539113388 504478052 /nfs/dbraw/zinc/47/80/52/504478052.db2.gz VHLFWBVTXLERQX-UHFFFAOYSA-N -2 3 367.398 3.420 20 0 FGADHL O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1ccc(O)cc1[O-] ZINC000548705263 504534888 /nfs/dbraw/zinc/53/48/88/504534888.db2.gz BNCUTPLUXLSJRD-UHFFFAOYSA-N -2 3 370.405 3.118 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000536269167 504683909 /nfs/dbraw/zinc/68/39/09/504683909.db2.gz OYAJEDBPSZUHHF-UHFFFAOYSA-N -2 3 357.815 3.070 20 0 FGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000562644003 504891771 /nfs/dbraw/zinc/89/17/71/504891771.db2.gz VUHHUSIBMFUHEN-LBPRGKRZSA-N -2 3 355.843 3.415 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)c1F ZINC000562967336 505002537 /nfs/dbraw/zinc/00/25/37/505002537.db2.gz QNPQLGPJZSWOSC-VIFPVBQESA-N -2 3 351.346 3.091 20 0 FGADHL Cc1ccc(-c2nc([N-]C(=O)c3oc(COC(C)(C)C)nc3C)n[n-]2)o1 ZINC000566404920 505165843 /nfs/dbraw/zinc/16/58/43/505165843.db2.gz WMBSCHBHMLCUFA-UHFFFAOYSA-N -2 3 359.386 3.237 20 0 FGADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000564063700 505315586 /nfs/dbraw/zinc/31/55/86/505315586.db2.gz HTWUIIJWZKCKMW-ONEGZZNKSA-N -2 3 361.419 3.156 20 0 FGADHL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000567579741 505504514 /nfs/dbraw/zinc/50/45/14/505504514.db2.gz UZZQIFGBYWDPTB-JTQLQIEISA-N -2 3 365.373 3.400 20 0 FGADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000567852297 505568308 /nfs/dbraw/zinc/56/83/08/505568308.db2.gz HOLJVXMYUMABKR-MRVPVSSYSA-N -2 3 373.780 3.138 20 0 FGADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000608755373 506696181 /nfs/dbraw/zinc/69/61/81/506696181.db2.gz SSZDPRBDXDLNPF-UHFFFAOYSA-N -2 3 355.799 3.161 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583737363 506944519 /nfs/dbraw/zinc/94/45/19/506944519.db2.gz QCMUOZLNPXHLFB-YGRLFVJLSA-N -2 3 363.838 3.181 20 0 FGADHL CCN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821159427 599456764 /nfs/dbraw/zinc/45/67/64/599456764.db2.gz BNKXBLQEBUIYLL-NSHDSACASA-N -2 3 371.828 3.449 20 0 FGADHL O=C([O-])C1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000738544474 599737499 /nfs/dbraw/zinc/73/74/99/599737499.db2.gz QVJOSRIUWDOOIS-UHFFFAOYSA-N -2 3 353.418 3.114 20 0 FGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000739666103 599981638 /nfs/dbraw/zinc/98/16/38/599981638.db2.gz HPJWJJMTKNRNPC-UHFFFAOYSA-N -2 3 371.352 3.158 20 0 FGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000327583775 600103030 /nfs/dbraw/zinc/10/30/30/600103030.db2.gz GQEJQRAJYBNSFJ-UHFFFAOYSA-N -2 3 360.435 3.094 20 0 FGADHL O=C([O-])[C@@H](OC(=O)c1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000740290366 600455875 /nfs/dbraw/zinc/45/58/75/600455875.db2.gz IOWJVVQWHIZEQL-ZDUSSCGKSA-N -2 3 369.142 3.277 20 0 FGADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000736491823 600484653 /nfs/dbraw/zinc/48/46/53/600484653.db2.gz SIEZXLSGNOMTLT-UHFFFAOYSA-N -2 3 367.361 3.073 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1C(=O)[O-] ZINC000385858116 600885515 /nfs/dbraw/zinc/88/55/15/600885515.db2.gz IMTBDMJUWLMDAT-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1F ZINC000833294510 601229562 /nfs/dbraw/zinc/22/95/62/601229562.db2.gz FDFJUWLMSPXIPV-GRYCIOLGSA-N -2 3 373.421 3.300 20 0 FGADHL O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000833315550 601617410 /nfs/dbraw/zinc/61/74/10/601617410.db2.gz ZVSJGZIHCKHVJQ-UHFFFAOYSA-N -2 3 357.381 3.324 20 0 FGADHL O=C([O-])CCCc1csc(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000327178433 601782610 /nfs/dbraw/zinc/78/26/10/601782610.db2.gz NBCORGHIIGJJRA-UHFFFAOYSA-N -2 3 357.391 3.057 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)ccc2O1 ZINC000828081823 601830801 /nfs/dbraw/zinc/83/08/01/601830801.db2.gz CEURLZNTPDYGOW-UHFFFAOYSA-N -2 3 362.407 3.291 20 0 FGADHL O=C([O-])Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c([O-])c1 ZINC000740699972 602841449 /nfs/dbraw/zinc/84/14/49/602841449.db2.gz YYXWHUMLEMLJIC-OAHLLOKOSA-N -2 3 373.409 3.032 20 0 FGADHL C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC[C@H]1NC(=O)[O-] ZINC000739164837 602868929 /nfs/dbraw/zinc/86/89/29/602868929.db2.gz KTUDIXJOZVOBQB-KBXCAEBGSA-N -2 3 368.433 3.101 20 0 FGADHL O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)o2)cc1 ZINC000833360742 604675923 /nfs/dbraw/zinc/67/59/23/604675923.db2.gz JXXSZNKGSQRSQR-BOPFTXTBSA-N -2 3 359.337 3.455 20 0 FGADHL Cc1ccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c([O-])c1 ZINC000832912607 604781230 /nfs/dbraw/zinc/78/12/30/604781230.db2.gz UUHLMYBEDSPUKG-UHFFFAOYSA-N -2 3 354.406 3.116 20 0 FGADHL O=C([O-])Nc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000832834039 605416352 /nfs/dbraw/zinc/41/63/52/605416352.db2.gz UICKGUIAVBSKQB-UHFFFAOYSA-N -2 3 365.183 3.175 20 0 FGADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000823336902 606197736 /nfs/dbraw/zinc/19/77/36/606197736.db2.gz CDFSYGFIGCUAAX-UHFFFAOYSA-N -2 3 368.155 3.271 20 0 FGADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000823336902 606197738 /nfs/dbraw/zinc/19/77/38/606197738.db2.gz CDFSYGFIGCUAAX-UHFFFAOYSA-N -2 3 368.155 3.271 20 0 FGADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000826456671 608754635 /nfs/dbraw/zinc/75/46/35/608754635.db2.gz RBMDOZUGAONJPP-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c([O-])cc(Cl)cc1Cl ZINC000826456671 608754638 /nfs/dbraw/zinc/75/46/38/608754638.db2.gz RBMDOZUGAONJPP-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000013264876 695609703 /nfs/dbraw/zinc/60/97/03/695609703.db2.gz PAUCTSVBVMIHMR-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1F ZINC000180016078 705724628 /nfs/dbraw/zinc/72/46/28/705724628.db2.gz CTCXCIGSWYSHCP-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000324866020 713816747 /nfs/dbraw/zinc/81/67/47/713816747.db2.gz BFQBPMIXTPDFIY-HJWRWDBZSA-N -2 3 367.810 3.459 20 0 FGADHL CC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000654787928 719232344 /nfs/dbraw/zinc/23/23/44/719232344.db2.gz AJVMQCRSDBQCIP-VIFPVBQESA-N -2 3 354.255 3.081 20 0 FGADHL O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]c3cccc([O-])c3F)cc21 ZINC000800838267 724234855 /nfs/dbraw/zinc/23/48/55/724234855.db2.gz ADYZLNDVVJVVEL-UHFFFAOYSA-N -2 3 355.774 3.114 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2F)C2CCCC2)o1 ZINC000833325151 729745391 /nfs/dbraw/zinc/74/53/91/729745391.db2.gz SYUNHRSGQYBQDP-MRXNPFEDSA-N -2 3 367.398 3.327 20 0 FGADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909494813 744369695 /nfs/dbraw/zinc/36/96/95/744369695.db2.gz DMSIXYSGAXXZRI-NSHDSACASA-N -2 3 359.344 3.374 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000571141284 505662730 /nfs/dbraw/zinc/66/27/30/505662730.db2.gz PUMBSNCEKHARNK-SECBINFHSA-N -2 3 354.255 3.224 20 0 FGADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013309990 494284620 /nfs/dbraw/zinc/28/46/20/494284620.db2.gz UKFRLRBXTOUQCM-UHFFFAOYSA-N -2 3 353.465 3.091 20 0 FGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000013314012 494284752 /nfs/dbraw/zinc/28/47/52/494284752.db2.gz AZFICJNLJVKXOV-UHFFFAOYSA-N -2 3 374.245 3.213 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000055601448 494371381 /nfs/dbraw/zinc/37/13/81/494371381.db2.gz HHZQNBNKFRUHFF-UHFFFAOYSA-N -2 3 369.446 3.109 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(Br)c1 ZINC000020548762 494475746 /nfs/dbraw/zinc/47/57/46/494475746.db2.gz VYLDPKHMPBBXRN-UHFFFAOYSA-N -2 3 374.187 3.087 20 0 FGADHL O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000193094930 497301137 /nfs/dbraw/zinc/30/11/37/497301137.db2.gz HHKBFWJZQJFDEG-UHFFFAOYSA-N -2 3 374.824 3.242 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)c1 ZINC000237963096 497320218 /nfs/dbraw/zinc/32/02/18/497320218.db2.gz HHJOUOZQDJUWQT-UHFFFAOYSA-N -2 3 365.476 3.451 20 0 FGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)n[n-]1 ZINC000194593715 497714003 /nfs/dbraw/zinc/71/40/03/497714003.db2.gz OJRQRWILXGRAGL-UHFFFAOYSA-N -2 3 364.855 3.040 20 0 FGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000581224133 505937070 /nfs/dbraw/zinc/93/70/70/505937070.db2.gz VQMPCEQQWOBWCS-UHFFFAOYSA-N -2 3 361.753 3.046 20 0 FGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000581726448 506054352 /nfs/dbraw/zinc/05/43/52/506054352.db2.gz NFSOWXKEWZSVFG-LJQANCHMSA-N -2 3 361.463 3.150 20 0 FGADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000320040938 498804249 /nfs/dbraw/zinc/80/42/49/498804249.db2.gz KMBQIWFPVDKHPP-SNVBAGLBSA-N -2 3 373.780 3.281 20 0 FGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000323660859 498823017 /nfs/dbraw/zinc/82/30/17/498823017.db2.gz LZEGDUIBRSFMCY-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000324952518 498833069 /nfs/dbraw/zinc/83/30/69/498833069.db2.gz BVIOOQBQCMTOAZ-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325758806 498838367 /nfs/dbraw/zinc/83/83/67/498838367.db2.gz ZDTFQUPHIIKSAI-GHMZBOCLSA-N -2 3 367.389 3.263 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)cc(Cl)c1Cl ZINC000291869532 499090190 /nfs/dbraw/zinc/09/01/90/499090190.db2.gz HFLXNQKMODRTMO-UHFFFAOYSA-N -2 3 374.192 3.015 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000391767454 499557210 /nfs/dbraw/zinc/55/72/10/499557210.db2.gz BDDIOLAVLNLWET-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000399482661 499568243 /nfs/dbraw/zinc/56/82/43/499568243.db2.gz YEJXHVKGMHZIMQ-KCJUWKMLSA-N -2 3 354.255 3.017 20 0 FGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000582365191 506196941 /nfs/dbraw/zinc/19/69/41/506196941.db2.gz LEMVFXSSTUJXPF-UHFFFAOYSA-N -2 3 366.414 3.074 20 0 FGADHL CC(=O)c1ccc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)cc1[O-] ZINC000436669553 501183775 /nfs/dbraw/zinc/18/37/75/501183775.db2.gz AKZOGZNMNVXIPL-UHFFFAOYSA-N -2 3 353.353 3.107 20 0 FGADHL Cc1c(Br)ccc([O-])c1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000452762761 501558911 /nfs/dbraw/zinc/55/89/11/501558911.db2.gz YJIOMYSDYNZFAG-UHFFFAOYSA-N -2 3 368.256 3.168 20 0 FGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC)cc1F ZINC000467945540 501911831 /nfs/dbraw/zinc/91/18/31/501911831.db2.gz KLNWSBOAGREEJX-UHFFFAOYSA-N -2 3 371.361 3.035 20 0 FGADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000477315705 502739714 /nfs/dbraw/zinc/73/97/14/502739714.db2.gz SEZJKKFNXBYPHS-UHFFFAOYSA-N -2 3 370.268 3.448 20 0 FGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1c(C)noc1C ZINC000514670610 503163209 /nfs/dbraw/zinc/16/32/09/503163209.db2.gz YEDZHWQEAXZLFX-GFCCVEGCSA-N -2 3 372.830 3.073 20 0 FGADHL Cc1nc(C=Cc2ccc(Br)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722775 503608235 /nfs/dbraw/zinc/60/82/35/503608235.db2.gz WYENFYZMYUVAOT-HYXAFXHYSA-N -2 3 355.213 3.112 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)sc1Cl ZINC000530435373 503964242 /nfs/dbraw/zinc/96/42/42/503964242.db2.gz XRKRRTHBLBVISZ-LKFCYVNXSA-N -2 3 365.904 3.269 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000547566992 504149151 /nfs/dbraw/zinc/14/91/51/504149151.db2.gz CGQZRFTYTAAFID-LBPRGKRZSA-N -2 3 371.430 3.296 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(Cl)cc1F ZINC000547611139 504155287 /nfs/dbraw/zinc/15/52/87/504155287.db2.gz FOIWSFQHHWMIFB-GXSJLCMTSA-N -2 3 365.854 3.345 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000547912871 504262045 /nfs/dbraw/zinc/26/20/45/504262045.db2.gz DIRXLPUDDACSFT-VIFPVBQESA-N -2 3 361.872 3.334 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c1F ZINC000547916076 504262516 /nfs/dbraw/zinc/26/25/16/504262516.db2.gz FSLLIZNVAUZKCL-CYBMUJFWSA-N -2 3 371.817 3.282 20 0 FGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000548521737 504475937 /nfs/dbraw/zinc/47/59/37/504475937.db2.gz ZMURASQQFVJGND-LLVKDONJSA-N -2 3 363.819 3.035 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c(C)o1 ZINC000548557819 504482371 /nfs/dbraw/zinc/48/23/71/504482371.db2.gz XEZFNLJELUCRMA-UHFFFAOYSA-N -2 3 374.212 3.158 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3ncc(C)o3)c2)c1 ZINC000539398956 504557224 /nfs/dbraw/zinc/55/72/24/504557224.db2.gz HCNAOCLPEPEACU-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000559797549 504929194 /nfs/dbraw/zinc/92/91/94/504929194.db2.gz JEHXWQUHQSZZOI-LBPRGKRZSA-N -2 3 363.426 3.223 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)c1 ZINC000556831908 504987826 /nfs/dbraw/zinc/98/78/26/504987826.db2.gz BDXAYDPOZYWWNO-GFCCVEGCSA-N -2 3 357.840 3.066 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)sc1Cl ZINC000556889822 505007712 /nfs/dbraw/zinc/00/77/12/505007712.db2.gz PBWLJBCHNMGCEU-NEPJUHHUSA-N -2 3 371.867 3.301 20 0 FGADHL CCC(CC)([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000550616453 505073749 /nfs/dbraw/zinc/07/37/49/505073749.db2.gz OZEBUEGXPMGIAA-UHFFFAOYSA-N -2 3 361.872 3.476 20 0 FGADHL COc1ccc(CNc2cccc(C(=O)[O-])c2)c(Br)c1[O-] ZINC000551054972 505148888 /nfs/dbraw/zinc/14/88/88/505148888.db2.gz HGPVYAOYXONSAH-UHFFFAOYSA-N -2 3 352.184 3.474 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000567252005 505408468 /nfs/dbraw/zinc/40/84/68/505408468.db2.gz UNQBDARTTOVLSV-CLAHSXSESA-N -2 3 371.842 3.172 20 0 FGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000584816909 507521600 /nfs/dbraw/zinc/52/16/00/507521600.db2.gz XXMICFYMCUIESN-UHFFFAOYSA-N -2 3 373.839 3.412 20 0 FGADHL COC(=O)c1cc(Cl)cc(NC(=O)c2c([O-])cc(F)cc2F)c1[O-] ZINC000588098928 507761401 /nfs/dbraw/zinc/76/14/01/507761401.db2.gz BBEFWMGDKBVOHH-UHFFFAOYSA-N -2 3 357.696 3.068 20 0 FGADHL O=C(N=c1[n-]nc(SCc2ccccc2)s1)NCc1ncccc1[O-] ZINC000471113597 514758081 /nfs/dbraw/zinc/75/80/81/514758081.db2.gz BFWBFLJZLAHOSQ-UHFFFAOYSA-N -2 3 373.463 3.253 20 0 FGADHL O=C(N=c1cc(-c2cccnc2)[n-][nH]1)c1cccc(Br)c1[O-] ZINC000534386942 517877275 /nfs/dbraw/zinc/87/72/75/517877275.db2.gz HUSINXGPDJUHSE-UHFFFAOYSA-N -2 3 359.183 3.192 20 0 FGADHL O=C([O-])[C@@H]1CCCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000738536056 597431494 /nfs/dbraw/zinc/43/14/94/597431494.db2.gz UFHXRGWLLYKJTH-NSHDSACASA-N -2 3 359.407 3.096 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1C ZINC000738654747 599927030 /nfs/dbraw/zinc/92/70/30/599927030.db2.gz GTHGWFNJIXSXAS-UHFFFAOYSA-N -2 3 365.476 3.422 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(N3Cc4ccc(C(=O)[O-])cc4C3)nc2)n1 ZINC000737251899 600074985 /nfs/dbraw/zinc/07/49/85/600074985.db2.gz ZIXNGIBUAUOKRJ-UHFFFAOYSA-N -2 3 362.389 3.025 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(C)c1C ZINC000738064084 600299455 /nfs/dbraw/zinc/29/94/55/600299455.db2.gz RBOVUXBGLZRLLO-UHFFFAOYSA-N -2 3 368.386 3.342 20 0 FGADHL Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)sc2nccc(C)c12 ZINC000738798476 600626353 /nfs/dbraw/zinc/62/63/53/600626353.db2.gz RIXNVJAZDZFULE-UHFFFAOYSA-N -2 3 362.436 3.034 20 0 FGADHL Cc1cc(C)c2cc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)sc2n1 ZINC000738357568 600630236 /nfs/dbraw/zinc/63/02/36/600630236.db2.gz KBIMSKYQMSIASH-UHFFFAOYSA-N -2 3 362.436 3.034 20 0 FGADHL Cc1nc(-c2ccccc2)c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)s1 ZINC000738831911 600630747 /nfs/dbraw/zinc/63/07/47/600630747.db2.gz JUUAQSOJDGJSGP-UHFFFAOYSA-N -2 3 374.447 3.240 20 0 FGADHL Cc1c([O-])ccc2c(CN3C[C@@H](CC(=O)[O-])c4ccccc43)cc(=O)oc12 ZINC000738305333 600960421 /nfs/dbraw/zinc/96/04/21/600960421.db2.gz NFNOTFYOPORNMC-CYBMUJFWSA-N -2 3 365.385 3.386 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCCCCC(=O)[O-] ZINC000760103627 602142611 /nfs/dbraw/zinc/14/26/11/602142611.db2.gz FUMLEKORLBHSET-UHFFFAOYSA-N -2 3 357.403 3.194 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1Cl ZINC000739934140 602653052 /nfs/dbraw/zinc/65/30/52/602653052.db2.gz XQBNALCDVUODJK-UHFFFAOYSA-N -2 3 374.777 3.378 20 0 FGADHL CC1=C(C(=O)[O-])[C@H](c2ccc([O-])c(F)c2)NC(=O)N1Cc1ccccc1 ZINC000833576112 604554705 /nfs/dbraw/zinc/55/47/05/604554705.db2.gz GKDSOQZLIYVDPP-KRWDZBQOSA-N -2 3 356.353 3.156 20 0 FGADHL CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[O-])c(C)c2)c([O-])c1 ZINC000827350704 605310586 /nfs/dbraw/zinc/31/05/86/605310586.db2.gz XTNFYLBDAFJBPV-UHFFFAOYSA-N -2 3 358.350 3.220 20 0 FGADHL CCC[C@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000821016374 606328166 /nfs/dbraw/zinc/32/81/66/606328166.db2.gz VIWVHVHCQWEYNW-JTQLQIEISA-N -2 3 372.454 3.319 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826451488 608387551 /nfs/dbraw/zinc/38/75/51/608387551.db2.gz IUCFPXDVUGRVQP-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826451488 608387553 /nfs/dbraw/zinc/38/75/53/608387553.db2.gz IUCFPXDVUGRVQP-UHFFFAOYSA-N -2 3 350.165 3.131 20 0 FGADHL CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000824293821 608583679 /nfs/dbraw/zinc/58/36/79/608583679.db2.gz YPNIBHLFMUKYLE-UHFFFAOYSA-N -2 3 371.828 3.277 20 0 FGADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000824293821 608583681 /nfs/dbraw/zinc/58/36/81/608583681.db2.gz YPNIBHLFMUKYLE-UHFFFAOYSA-N -2 3 371.828 3.277 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC000577803213 714469332 /nfs/dbraw/zinc/46/93/32/714469332.db2.gz GOHCDAKAPNHGAG-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])[nH]n1 ZINC000649615178 718538711 /nfs/dbraw/zinc/53/87/11/718538711.db2.gz LRBKTPIEGMPDRK-UHFFFAOYSA-N -2 3 363.361 3.232 20 0 FGADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000657142863 719574136 /nfs/dbraw/zinc/57/41/36/719574136.db2.gz MGUHAKQDLPCDIN-RNCFNFMXSA-N -2 3 363.838 3.037 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c1Cl ZINC000663256461 720492780 /nfs/dbraw/zinc/49/27/80/720492780.db2.gz VMYMDWKHIIDYCQ-SNVBAGLBSA-N -2 3 366.266 3.081 20 0 FGADHL CCC[C@@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000681571707 722211853 /nfs/dbraw/zinc/21/18/53/722211853.db2.gz RLHLTJSDBQGIMS-JTQLQIEISA-N -2 3 359.831 3.174 20 0 FGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000743264607 722565374 /nfs/dbraw/zinc/56/53/74/722565374.db2.gz UQOFXUSPFIJKHJ-HJWRWDBZSA-N -2 3 367.810 3.459 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1C ZINC000766586871 723582683 /nfs/dbraw/zinc/58/26/83/723582683.db2.gz XPDAYQLYVQSAGO-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1nc([C@@H](C)NC(=O)CCCc2ccc([O-])c(F)c2)sc1C(=O)[O-] ZINC000909504170 744371271 /nfs/dbraw/zinc/37/12/71/744371271.db2.gz RKDSATCQEGXMDX-SNVBAGLBSA-N -2 3 366.414 3.195 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000579561377 505575442 /nfs/dbraw/zinc/57/54/42/505575442.db2.gz DMOKTGUVHXAMQE-LBPRGKRZSA-N -2 3 353.415 3.291 20 0 FGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000060800456 493955239 /nfs/dbraw/zinc/95/52/39/493955239.db2.gz RAWZDMBTHUIQPQ-UHFFFAOYSA-N -2 3 361.753 3.426 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000132369485 494863376 /nfs/dbraw/zinc/86/33/76/494863376.db2.gz BZBRSLRWWFHVIA-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(-c2ccc(Cl)s2)on1 ZINC000127471945 494949348 /nfs/dbraw/zinc/94/93/48/494949348.db2.gz BHJDUTMIHVBYJC-UHFFFAOYSA-N -2 3 372.797 3.489 20 0 FGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179805385 495740540 /nfs/dbraw/zinc/74/05/40/495740540.db2.gz YVAOCBDIEAYPRM-UHFFFAOYSA-N -2 3 368.842 3.368 20 0 FGADHL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(Cl)cc(C)c3[O-])cc2=O)cc1 ZINC000179807188 495741149 /nfs/dbraw/zinc/74/11/49/495741149.db2.gz STKUPFIDJRTZCX-UHFFFAOYSA-N -2 3 357.797 3.394 20 0 FGADHL Cc1ccc(-n2[n-]c(C(=O)N3CC[C@H](C)c4cccc([O-])c43)cc2=O)cc1 ZINC000186330919 495951512 /nfs/dbraw/zinc/95/15/12/495951512.db2.gz JCCNRFKSDSYEMC-AWEZNQCLSA-N -2 3 363.417 3.334 20 0 FGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC000326759796 498848254 /nfs/dbraw/zinc/84/82/54/498848254.db2.gz KEXKMOLEWGHAOI-UHFFFAOYSA-N -2 3 363.288 3.344 20 0 FGADHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)cccc3F)c2)n1 ZINC000373448218 499470358 /nfs/dbraw/zinc/47/03/58/499470358.db2.gz KCJCQTXOMIHKJE-UHFFFAOYSA-N -2 3 373.409 3.406 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(Cl)c1 ZINC000391636878 499557284 /nfs/dbraw/zinc/55/72/84/499557284.db2.gz XWRFKBLFZPTWFG-UHFFFAOYSA-N -2 3 362.794 3.387 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Cl ZINC000391864047 499557701 /nfs/dbraw/zinc/55/77/01/499557701.db2.gz YLLLPVROCBPULK-UHFFFAOYSA-N -2 3 351.811 3.328 20 0 FGADHL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3c(C)nc(C(C)(C)C)[n-]c3=O)c2C)o1 ZINC000416251788 499995550 /nfs/dbraw/zinc/99/55/50/499995550.db2.gz LMDZQBXIIHELDP-UHFFFAOYSA-N -2 3 369.425 3.062 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000432736426 500554709 /nfs/dbraw/zinc/55/47/09/500554709.db2.gz DFQPDSSQIHHWET-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000447265398 500582636 /nfs/dbraw/zinc/58/26/36/500582636.db2.gz RCWIHGHKPBXIEW-UHFFFAOYSA-N -2 3 363.435 3.428 20 0 FGADHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000437005168 500591383 /nfs/dbraw/zinc/59/13/83/500591383.db2.gz VLIGYGGZPHXNBQ-HNNXBMFYSA-N -2 3 357.797 3.448 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(F)c(C(F)(F)F)c1 ZINC000448074899 500714978 /nfs/dbraw/zinc/71/49/78/500714978.db2.gz QFXCLZQCITVYDE-UHFFFAOYSA-N -2 3 353.268 3.490 20 0 FGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2ccsc2Cl)o1 ZINC000438564820 500802385 /nfs/dbraw/zinc/80/23/85/500802385.db2.gz YFVXQIOAGJWDMA-UHFFFAOYSA-N -2 3 362.860 3.324 20 0 FGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(OC)cc2C)cc1C(=O)[O-] ZINC000435715112 501016087 /nfs/dbraw/zinc/01/60/87/501016087.db2.gz OPMGOCBUBSUTLH-UHFFFAOYSA-N -2 3 363.435 3.373 20 0 FGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000436667119 501182989 /nfs/dbraw/zinc/18/29/89/501182989.db2.gz SVEMCINJRPTKIW-UHFFFAOYSA-N -2 3 357.387 3.133 20 0 FGADHL CCSCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000451105989 501246118 /nfs/dbraw/zinc/24/61/18/501246118.db2.gz KMHVCBBWHIQXAF-UHFFFAOYSA-N -2 3 353.465 3.455 20 0 FGADHL O=C(N=c1[n-]nc(C(F)(F)F)s1)c1cc2cc(Cl)sc2[n-]1 ZINC000485900396 501981732 /nfs/dbraw/zinc/98/17/32/501981732.db2.gz XUVSAKHZUIRBOP-UHFFFAOYSA-N -2 3 352.750 3.427 20 0 FGADHL Cc1cc(Cl)cc([N-]S(=O)(=O)N2CCc3ccccc3C2)c1[O-] ZINC000462103855 502308189 /nfs/dbraw/zinc/30/81/89/502308189.db2.gz PIHDNUBFXGNJLE-UHFFFAOYSA-N -2 3 352.843 3.069 20 0 FGADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1[O-] ZINC000462105710 502308307 /nfs/dbraw/zinc/30/83/07/502308307.db2.gz UXXJODXCYLHEDU-UHFFFAOYSA-N -2 3 359.806 3.314 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)c1 ZINC000484070839 502561653 /nfs/dbraw/zinc/56/16/53/502561653.db2.gz HGKYYDNNTWQFJG-UHFFFAOYSA-N -2 3 355.387 3.128 20 0 FGADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000484530349 502662924 /nfs/dbraw/zinc/66/29/24/502662924.db2.gz RUIHUFAVAXIOFI-UHFFFAOYSA-N -2 3 365.382 3.163 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C(=O)[O-] ZINC000497960551 503075230 /nfs/dbraw/zinc/07/52/30/503075230.db2.gz UTSDSHDBBYFDOJ-UHFFFAOYSA-N -2 3 361.419 3.283 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccsc3)c2)n1 ZINC000506676888 503155029 /nfs/dbraw/zinc/15/50/29/503155029.db2.gz XIEQOKUHYQRZOU-UHFFFAOYSA-N -2 3 361.448 3.274 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cc1 ZINC000511155382 503270992 /nfs/dbraw/zinc/27/09/92/503270992.db2.gz MLGYBPDQYMKJGJ-UHFFFAOYSA-N -2 3 361.419 3.073 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1OCC ZINC000504223263 503540573 /nfs/dbraw/zinc/54/05/73/503540573.db2.gz OESPJZWHPOFBMT-UHFFFAOYSA-N -2 3 355.387 3.130 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(F)c1 ZINC000504587953 503593522 /nfs/dbraw/zinc/59/35/22/503593522.db2.gz ZFQFDQVPXGNPLH-UHFFFAOYSA-N -2 3 357.790 3.162 20 0 FGADHL Cc1nc(C=Cc2ccccc2OCC(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504720708 503608335 /nfs/dbraw/zinc/60/83/35/503608335.db2.gz LHZKACMBIFCHDI-VOTSOKGWSA-N -2 3 368.311 3.229 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c1Cl ZINC000527200031 503716782 /nfs/dbraw/zinc/71/67/82/503716782.db2.gz MWCPBFGWYQKUGB-UHFFFAOYSA-N -2 3 364.206 3.072 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000537197647 503838157 /nfs/dbraw/zinc/83/81/57/503838157.db2.gz UOWXBZCJCOGLHL-UHFFFAOYSA-N -2 3 360.391 3.165 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1Cl ZINC000547563601 504148788 /nfs/dbraw/zinc/14/87/88/504148788.db2.gz UQOQKOMFMJPNHP-VIFPVBQESA-N -2 3 354.255 3.224 20 0 FGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000547881991 504257489 /nfs/dbraw/zinc/25/74/89/504257489.db2.gz HQNWNXAGFVFSPF-HNNXBMFYSA-N -2 3 351.399 3.019 20 0 FGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000547933838 504265481 /nfs/dbraw/zinc/26/54/81/504265481.db2.gz RDIGUAYDTXCUMF-UHFFFAOYSA-N -2 3 373.883 3.478 20 0 FGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548198949 504366954 /nfs/dbraw/zinc/36/69/54/504366954.db2.gz FKHGPKJXUHWWJN-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(Cl)cc1F ZINC000548214235 504370361 /nfs/dbraw/zinc/37/03/61/504370361.db2.gz JTGZOAXOYSXZCC-ZFWWWQNUSA-N -2 3 363.838 3.099 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000548232889 504372145 /nfs/dbraw/zinc/37/21/45/504372145.db2.gz YTWWVFUGFSWIKM-UHFFFAOYSA-N -2 3 355.799 3.156 20 0 FGADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000548524903 504476638 /nfs/dbraw/zinc/47/66/38/504476638.db2.gz HPLNSRFIKBJACK-UHFFFAOYSA-N -2 3 373.402 3.327 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000548540856 504479832 /nfs/dbraw/zinc/47/98/32/504479832.db2.gz BZRJIEPCXLBTJN-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL C[C@H](CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548546211 504479959 /nfs/dbraw/zinc/47/99/59/504479959.db2.gz ZRFKLCYTKBDBOP-LLVKDONJSA-N -2 3 355.843 3.272 20 0 FGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cccc(Cl)c2F)(CC(=O)[O-])C1 ZINC000548555904 504482301 /nfs/dbraw/zinc/48/23/01/504482301.db2.gz RKQGXTJRIWNZJU-BONVTDFDSA-N -2 3 363.838 3.039 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000542724050 504589012 /nfs/dbraw/zinc/58/90/12/504589012.db2.gz UYOJLMLIANQCGY-UHFFFAOYSA-N -2 3 364.206 3.214 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(C)=O)c(Cl)c2)c1 ZINC000543022516 504694909 /nfs/dbraw/zinc/69/49/09/504694909.db2.gz KRFMMVXVLUQHHN-UHFFFAOYSA-N -2 3 355.799 3.058 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1C ZINC000536392105 504720706 /nfs/dbraw/zinc/72/07/06/504720706.db2.gz VFIQUHHUWKVJTL-UHFFFAOYSA-N -2 3 367.398 3.340 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c(C)c1F ZINC000562319341 504782629 /nfs/dbraw/zinc/78/26/29/504782629.db2.gz RLGMACRWVZXGIK-UHFFFAOYSA-N -2 3 373.789 3.295 20 0 FGADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000565515456 504909248 /nfs/dbraw/zinc/90/92/48/504909248.db2.gz VZSAZHLWKZULAI-UHFFFAOYSA-N -2 3 371.352 3.014 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560415904 505076850 /nfs/dbraw/zinc/07/68/50/505076850.db2.gz HMDOBYINYGJBJL-GFCCVEGCSA-N -2 3 373.780 3.138 20 0 FGADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000551911830 505340471 /nfs/dbraw/zinc/34/04/71/505340471.db2.gz SIBWSZMLXSQPDV-CQSZACIVSA-N -2 3 365.373 3.017 20 0 FGADHL O=C(Nc1ccc(Br)cc1[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000567099504 505363148 /nfs/dbraw/zinc/36/31/48/505363148.db2.gz UKDZTMIHINQPSE-UHFFFAOYSA-N -2 3 374.194 3.298 20 0 FGADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1F ZINC000564917670 505557161 /nfs/dbraw/zinc/55/71/61/505557161.db2.gz AGFKRPRMFAMWMT-AWEZNQCLSA-N -2 3 373.377 3.322 20 0 FGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000583786318 506970814 /nfs/dbraw/zinc/97/08/14/506970814.db2.gz IVMNBIZONSKEPS-PRHODGIISA-N -2 3 371.402 3.079 20 0 FGADHL CC(=O)Nc1ccc([O-])c(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1 ZINC000540421099 516547124 /nfs/dbraw/zinc/54/71/24/516547124.db2.gz QSGIQPYVWMZELT-UHFFFAOYSA-N -2 3 350.378 3.301 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])ccc1OC(C)C ZINC000327520171 597314444 /nfs/dbraw/zinc/31/44/44/597314444.db2.gz VJFSNDABRIIZPG-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL O=C([O-])CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000738563174 599740165 /nfs/dbraw/zinc/74/01/65/599740165.db2.gz MHQYXZUWOUAHGX-UHFFFAOYSA-N -2 3 353.418 3.310 20 0 FGADHL COc1cc(/C=C(\C(=O)[O-])c2ccncc2)cc(Br)c1[O-] ZINC000737874538 599831054 /nfs/dbraw/zinc/83/10/54/599831054.db2.gz VWUHRYPFHVUOAB-WDZFZDKYSA-N -2 3 350.168 3.184 20 0 FGADHL CCc1cc(=O)[n-]c(-c2ccc(NCCc3ccc(C(=O)[O-])cc3)nc2)n1 ZINC000737250342 600075024 /nfs/dbraw/zinc/07/50/24/600075024.db2.gz DHKNOZRSKTYENT-UHFFFAOYSA-N -2 3 364.405 3.159 20 0 FGADHL O=C([O-])CCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000739698458 600274397 /nfs/dbraw/zinc/27/43/97/600274397.db2.gz TYSPOSCODSSYFT-UHFFFAOYSA-N -2 3 364.814 3.131 20 0 FGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)s1 ZINC000739776609 600631168 /nfs/dbraw/zinc/63/11/68/600631168.db2.gz GAEBOBFVCIGXGT-UHFFFAOYSA-N -2 3 364.185 3.254 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)ccc1Cl ZINC000383723139 601828217 /nfs/dbraw/zinc/82/82/17/601828217.db2.gz KLOXLWQKJSMMTH-UHFFFAOYSA-N -2 3 367.810 3.164 20 0 FGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3C(=O)[O-])ccc2O1 ZINC000828082231 601830633 /nfs/dbraw/zinc/83/06/33/601830633.db2.gz KSQLYNBNAHNPRT-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000739370295 602645277 /nfs/dbraw/zinc/64/52/77/602645277.db2.gz AXVTYQPADLSWMG-UHFFFAOYSA-N -2 3 350.396 3.366 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1NC(=O)[O-] ZINC000739925036 603229201 /nfs/dbraw/zinc/22/92/01/603229201.db2.gz HEGIBHIAXKQGEC-UHFFFAOYSA-N -2 3 373.390 3.134 20 0 FGADHL O=C([O-])NCc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000832702557 603676127 /nfs/dbraw/zinc/67/61/27/603676127.db2.gz RZALGNVKIISGDS-UHFFFAOYSA-N -2 3 365.183 3.175 20 0 FGADHL O=C([O-])NC1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CC1 ZINC000834154343 605659751 /nfs/dbraw/zinc/65/97/51/605659751.db2.gz QGFYNSOBZCBHMS-UHFFFAOYSA-N -2 3 369.402 3.408 20 0 FGADHL CC[C@H](C)CSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000820870397 606980259 /nfs/dbraw/zinc/98/02/59/606980259.db2.gz RZKLDKYUBHNZHJ-JTQLQIEISA-N -2 3 372.454 3.176 20 0 FGADHL O=C([N-]c1c(F)cc(Cl)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826450338 608547990 /nfs/dbraw/zinc/54/79/90/608547990.db2.gz HOAGSZOHMQQSOJ-UHFFFAOYSA-N -2 3 371.681 3.329 20 0 FGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094703116 700458251 /nfs/dbraw/zinc/45/82/51/700458251.db2.gz FLEIWMYDMHDPHV-VIFPVBQESA-N -2 3 354.255 3.019 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000181735758 705807351 /nfs/dbraw/zinc/80/73/51/705807351.db2.gz LSXWYIMFKGNAGB-UHFFFAOYSA-N -2 3 357.231 3.028 20 0 FGADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1CC ZINC000486089785 714097117 /nfs/dbraw/zinc/09/71/17/714097117.db2.gz MLZZNTDMXULDMY-UHFFFAOYSA-N -2 3 363.435 3.319 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)oc1C(=O)[O-] ZINC000663420908 720511692 /nfs/dbraw/zinc/51/16/92/720511692.db2.gz XTHRKNHXWQQURK-AWEZNQCLSA-N -2 3 369.826 3.369 20 0 FGADHL CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC000751735828 722824519 /nfs/dbraw/zinc/82/45/19/722824519.db2.gz WSXULONTZQNYFC-UHFFFAOYSA-N -2 3 352.745 3.492 20 0 FGADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761289928 723140444 /nfs/dbraw/zinc/14/04/44/723140444.db2.gz JWQRUPJLRQAMMM-GMSGAONNSA-N -2 3 352.239 3.159 20 0 FGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1F ZINC000793368114 723431732 /nfs/dbraw/zinc/43/17/32/723431732.db2.gz SUXIFKIXKCTDQT-UHFFFAOYSA-N -2 3 371.361 3.171 20 0 FGADHL CCC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)c1nn[n-]n1 ZINC000843817021 730657066 /nfs/dbraw/zinc/65/70/66/730657066.db2.gz LWRWTAOJZAKMMO-VIFPVBQESA-N -2 3 364.183 3.256 20 0 FGADHL CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000848877747 731216866 /nfs/dbraw/zinc/21/68/66/731216866.db2.gz VNOJRGOIGXUWCL-JTQLQIEISA-N -2 3 369.286 3.087 20 0 FGADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2ccccc2cc1[O-] ZINC000022185297 220378810 /nfs/dbraw/zinc/37/88/10/220378810.db2.gz VQEQBBVDRDXKKT-UHFFFAOYSA-N -2 3 365.414 3.116 20 0 FGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000579561287 505575621 /nfs/dbraw/zinc/57/56/21/505575621.db2.gz AHNRKOQSNKVHFP-PWSUYJOCSA-N -2 3 363.838 3.181 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1Cl ZINC000579662959 505596621 /nfs/dbraw/zinc/59/66/21/505596621.db2.gz GREQKEQJSHQEHJ-SNVBAGLBSA-N -2 3 354.255 3.079 20 0 FGADHL CSc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000568070541 505608713 /nfs/dbraw/zinc/60/87/13/505608713.db2.gz ZWRIRJUQTPDGPG-UHFFFAOYSA-N -2 3 359.375 3.186 20 0 FGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000573775425 505617410 /nfs/dbraw/zinc/61/74/10/505617410.db2.gz NAFKMQBDAFREFK-NSHDSACASA-N -2 3 361.872 3.332 20 0 FGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000037375216 494104447 /nfs/dbraw/zinc/10/44/47/494104447.db2.gz RZVCASDXSKRRCV-JTQLQIEISA-N -2 3 366.247 3.159 20 0 FGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000043413503 494295194 /nfs/dbraw/zinc/29/51/94/494295194.db2.gz MTURONBOYKOXHM-UHFFFAOYSA-N -2 3 351.877 3.105 20 0 FGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3)c2)n1 ZINC000055621158 494374992 /nfs/dbraw/zinc/37/49/92/494374992.db2.gz FUGITSUGTNGRGZ-UHFFFAOYSA-N -2 3 369.446 3.109 20 0 FGADHL CC(C)n1c(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)n[n-]c1=S ZINC000080026693 494573621 /nfs/dbraw/zinc/57/36/21/494573621.db2.gz DITXMSPXKKDXDN-UHFFFAOYSA-N -2 3 364.446 3.386 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)sc1Br ZINC000131550516 494656083 /nfs/dbraw/zinc/65/60/83/494656083.db2.gz OIKANKBESHINKL-UHFFFAOYSA-N -2 3 366.233 3.465 20 0 FGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000122949279 495058273 /nfs/dbraw/zinc/05/82/73/495058273.db2.gz APAHSHBEBMJYOJ-ZDUSSCGKSA-N -2 3 371.466 3.105 20 0 FGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000122949279 495058276 /nfs/dbraw/zinc/05/82/76/495058276.db2.gz APAHSHBEBMJYOJ-ZDUSSCGKSA-N -2 3 371.466 3.105 20 0 FGADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000161291899 496145448 /nfs/dbraw/zinc/14/54/48/496145448.db2.gz AUXXXZMDDSBKFW-UHFFFAOYSA-N -2 3 351.277 3.231 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c1 ZINC000578379480 505926917 /nfs/dbraw/zinc/92/69/17/505926917.db2.gz PIDXZHAHRLZZHF-MRVPVSSYSA-N -2 3 363.869 3.127 20 0 FGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000575743163 505995287 /nfs/dbraw/zinc/99/52/87/505995287.db2.gz AABKQEKAQWQONH-LBPRGKRZSA-N -2 3 363.426 3.223 20 0 FGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)CC1CCCCC1 ZINC000570042100 506076218 /nfs/dbraw/zinc/07/62/18/506076218.db2.gz CXZIIVGDZIPPEH-SNVBAGLBSA-N -2 3 361.485 3.092 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000315078129 498782464 /nfs/dbraw/zinc/78/24/64/498782464.db2.gz ISPUEJIGRVEFMU-UHFFFAOYSA-N -2 3 370.224 3.257 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317173542 498789998 /nfs/dbraw/zinc/78/99/98/498789998.db2.gz ULLCPNMMEBQFHO-JSGCOSHPSA-N -2 3 366.266 3.305 20 0 FGADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(C)c1 ZINC000325465297 498837638 /nfs/dbraw/zinc/83/76/38/498837638.db2.gz SCHUKVOSRPVWDU-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)ccc1OC(C)C ZINC000327288631 498854017 /nfs/dbraw/zinc/85/40/17/498854017.db2.gz LXNTVWWNTBIHPO-UHFFFAOYSA-N -2 3 363.435 3.210 20 0 FGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000391269682 499556888 /nfs/dbraw/zinc/55/68/88/499556888.db2.gz WTIJQOJBSQPNOW-SNVBAGLBSA-N -2 3 373.780 3.136 20 0 FGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cs1 ZINC000432075931 500464250 /nfs/dbraw/zinc/46/42/50/500464250.db2.gz KBKVXVZEAVESJG-UHFFFAOYSA-N -2 3 371.823 3.029 20 0 FGADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1 ZINC000440837151 501054965 /nfs/dbraw/zinc/05/49/65/501054965.db2.gz IUJSCKPKQKPUCN-UHFFFAOYSA-N -2 3 363.435 3.285 20 0 FGADHL CC(C)C[C@@H](CN(C)C(=O)c1ccccc1[O-])NC(=O)c1ccccc1[O-] ZINC000436603574 501167535 /nfs/dbraw/zinc/16/75/35/501167535.db2.gz LYLORCYYVIAJAW-HNNXBMFYSA-N -2 3 370.449 3.015 20 0 FGADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2ccccc2C(C)C)c1 ZINC000436784357 501210929 /nfs/dbraw/zinc/21/09/29/501210929.db2.gz PMDGGNLYKWBHQV-UHFFFAOYSA-N -2 3 363.435 3.347 20 0 FGADHL COc1ccc(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)c([O-])c1 ZINC000436841877 501220057 /nfs/dbraw/zinc/22/00/57/501220057.db2.gz TVMFYMGNCPZNOJ-UHFFFAOYSA-N -2 3 373.796 3.127 20 0 FGADHL COc1cccc(-c2nc(C(=O)[N-]c3cc(F)cc(Cl)c3[O-])no2)c1 ZINC000436911537 501231247 /nfs/dbraw/zinc/23/12/47/501231247.db2.gz UTPSEQGCOVAIFD-UHFFFAOYSA-N -2 3 363.732 3.496 20 0 FGADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(Cl)ccc3[O-])n2)cc1 ZINC000436923672 501233727 /nfs/dbraw/zinc/23/37/27/501233727.db2.gz DKIKPCRZSFVFHT-UHFFFAOYSA-N -2 3 359.769 3.198 20 0 FGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc2O1 ZINC000489559568 502985664 /nfs/dbraw/zinc/98/56/64/502985664.db2.gz LIKVAMKLJOLVLG-UHFFFAOYSA-N -2 3 365.382 3.038 20 0 FGADHL Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(=O)OC(C)C ZINC000588849574 506358144 /nfs/dbraw/zinc/35/81/44/506358144.db2.gz WLHLWYOEAQSTJL-UHFFFAOYSA-N -2 3 367.398 3.206 20 0 FGADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000511243865 503286439 /nfs/dbraw/zinc/28/64/39/503286439.db2.gz YGGIPBVESTZOIA-UHFFFAOYSA-N -2 3 361.419 3.244 20 0 FGADHL Cc1nc(C=Cc2cccc(C(=O)OC(C)(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710350 503606652 /nfs/dbraw/zinc/60/66/52/503606652.db2.gz ARDGINZWBGFKNB-CMDGGOBGSA-N -2 3 370.405 3.243 20 0 FGADHL Cc1nc(C=Cc2c(F)cccc2OC(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504713710 503607299 /nfs/dbraw/zinc/60/72/99/503607299.db2.gz YJVPUIMRCKPXTE-WAYWQWQTSA-N -2 3 372.274 3.326 20 0 FGADHL Cc1nc(C=Cc2ccc(F)cc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000504719459 503608400 /nfs/dbraw/zinc/60/84/00/503608400.db2.gz AEEQDXROTLLZEW-HWKANZROSA-N -2 3 367.174 3.190 20 0 FGADHL CC1(c2nc(=NC(=O)CCc3ccc4ccccc4c3[O-])s[n-]2)CC1 ZINC000529700729 503663955 /nfs/dbraw/zinc/66/39/55/503663955.db2.gz JURIZOHISYSDGB-UHFFFAOYSA-N -2 3 353.447 3.442 20 0 FGADHL Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000546251916 503687236 /nfs/dbraw/zinc/68/72/36/503687236.db2.gz BRBRILIARPNKRH-UHFFFAOYSA-N -2 3 353.465 3.011 20 0 FGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C(=O)[O-])c1 ZINC000517299444 503708541 /nfs/dbraw/zinc/70/85/41/503708541.db2.gz AWANSYLQIHPMKN-LBPRGKRZSA-N -2 3 361.419 3.126 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)sc1Cl ZINC000530435376 503964530 /nfs/dbraw/zinc/96/45/30/503964530.db2.gz XRKRRTHBLBVISZ-YMTOWFKASA-N -2 3 365.904 3.269 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000534144833 504053666 /nfs/dbraw/zinc/05/36/66/504053666.db2.gz KZCBOHMWSOBRLO-UHFFFAOYSA-N -2 3 367.398 3.422 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000547896570 504259648 /nfs/dbraw/zinc/25/96/48/504259648.db2.gz IHUPLTMSOAJGAS-CZUORRHYSA-N -2 3 371.842 3.316 20 0 FGADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547901369 504260430 /nfs/dbraw/zinc/26/04/30/504260430.db2.gz WXWXMSOYDHWEQD-CQSZACIVSA-N -2 3 361.872 3.334 20 0 FGADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)C(=O)[O-])c1C ZINC000547963770 504275478 /nfs/dbraw/zinc/27/54/78/504275478.db2.gz LALBEVKYTNBPEW-AWEZNQCLSA-N -2 3 371.817 3.200 20 0 FGADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000535054774 504329089 /nfs/dbraw/zinc/32/90/89/504329089.db2.gz NHJJIQKCLIWKNF-UHFFFAOYSA-N -2 3 366.414 3.317 20 0 FGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000548198431 504367105 /nfs/dbraw/zinc/36/71/05/504367105.db2.gz QXIWPYFDTQIJMJ-UHFFFAOYSA-N -2 3 367.810 3.432 20 0 FGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC000548536096 504479676 /nfs/dbraw/zinc/47/96/76/504479676.db2.gz ULXBHVVGTHSORU-OAHLLOKOSA-N -2 3 369.389 3.158 20 0 FGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000548547461 504481103 /nfs/dbraw/zinc/48/11/03/504481103.db2.gz DCQSGAYCGVWJHM-VIFPVBQESA-N -2 3 354.255 3.305 20 0 FGADHL COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(Cl)c1[O-])c2=O ZINC000539489780 504587721 /nfs/dbraw/zinc/58/77/21/504587721.db2.gz BHKHDVGJNUXQPT-UHFFFAOYSA-N -2 3 362.744 3.287 20 0 FGADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000562651533 504895378 /nfs/dbraw/zinc/89/53/78/504895378.db2.gz FOATXXDTKMIUAI-IUCAKERBSA-N -2 3 371.402 3.079 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)sc1Cl ZINC000556889833 505007423 /nfs/dbraw/zinc/00/74/23/505007423.db2.gz PBWLJBCHNMGCEU-RYUDHWBXSA-N -2 3 371.867 3.301 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1c(C)noc1C ZINC000563067276 505038381 /nfs/dbraw/zinc/03/83/81/505038381.db2.gz CXEXKLSFEYBPIE-ZDUSSCGKSA-N -2 3 372.830 3.073 20 0 FGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000566005052 505052266 /nfs/dbraw/zinc/05/22/66/505052266.db2.gz OZONVPOFFQTIBU-QPUJVOFHSA-N -2 3 354.255 3.017 20 0 FGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000567252006 505408663 /nfs/dbraw/zinc/40/86/63/505408663.db2.gz UNQBDARTTOVLSV-RMLUDKJBSA-N -2 3 371.842 3.172 20 0 FGADHL C[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000564976698 505565011 /nfs/dbraw/zinc/56/50/11/505565011.db2.gz BAMCOBWGCISXLX-KDOFPFPSSA-N -2 3 369.417 3.154 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCCC2 ZINC000583256754 506680241 /nfs/dbraw/zinc/68/02/41/506680241.db2.gz UPOWPXGECCYLFF-UHFFFAOYSA-N -2 3 373.430 3.403 20 0 FGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc(Cl)c2O1 ZINC000605492519 507214706 /nfs/dbraw/zinc/21/47/06/507214706.db2.gz MSWMEJJDQZROPJ-VIFPVBQESA-N -2 3 367.810 3.162 20 0 FGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000584216458 507219456 /nfs/dbraw/zinc/21/94/56/507219456.db2.gz QLEJJYRAQNPZEZ-GXFFZTMASA-N -2 3 363.838 3.181 20 0 FGADHL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000588077467 507754357 /nfs/dbraw/zinc/75/43/57/507754357.db2.gz HFOGKWDNJFRSNY-UHFFFAOYSA-N -2 3 363.435 3.339 20 0 FGADHL CC(=O)Nc1ccc([O-])c(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c1 ZINC000532331629 516915400 /nfs/dbraw/zinc/91/54/00/516915400.db2.gz WEHGBPGVXKTOBJ-UHFFFAOYSA-N -2 3 372.331 3.271 20 0 FGADHL O=C([O-])C[C@@H]1CCCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000819380495 597086433 /nfs/dbraw/zinc/08/64/33/597086433.db2.gz OPPSTXGXUXAKBP-NSHDSACASA-N -2 3 373.434 3.344 20 0 FGADHL Cc1c([O-])ccc2c(CN3Cc4ccc(C(=O)[O-])cc4C3)cc(=O)oc12 ZINC000738304688 600082887 /nfs/dbraw/zinc/08/28/87/600082887.db2.gz AIXAJGYIVAQDRO-UHFFFAOYSA-N -2 3 351.358 3.021 20 0 FGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000013027694 600103219 /nfs/dbraw/zinc/10/32/19/600103219.db2.gz GGRZZKWQSQVZCF-UHFFFAOYSA-N -2 3 374.462 3.484 20 0 FGADHL C[C@H](OC(=O)c1cccc(Br)c1[O-])c1ccc(C(=O)[O-])o1 ZINC000736699632 600109173 /nfs/dbraw/zinc/10/91/73/600109173.db2.gz SWIXHFQAEDYYII-ZETCQYMHSA-N -2 3 355.140 3.364 20 0 FGADHL Cc1cc(COC(=O)c2cccc(Br)c2[O-])oc1C(=O)[O-] ZINC000738393949 600109547 /nfs/dbraw/zinc/10/95/47/600109547.db2.gz BISIIOYSCJAZLN-UHFFFAOYSA-N -2 3 355.140 3.111 20 0 FGADHL O=C([O-])c1cc(F)ccc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000739346532 600428286 /nfs/dbraw/zinc/42/82/86/600428286.db2.gz ZILGRYKMVKYRNX-UHFFFAOYSA-N -2 3 353.349 3.468 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000323692987 600776456 /nfs/dbraw/zinc/77/64/56/600776456.db2.gz JIIZQYOBJHUSTM-LLVKDONJSA-N -2 3 374.245 3.140 20 0 FGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000683313263 601196007 /nfs/dbraw/zinc/19/60/07/601196007.db2.gz OOXWVGNPKUWVHI-UHFFFAOYSA-N -2 3 363.801 3.392 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2oc3ccccc3c2C)cc1C(=O)[O-] ZINC000833029015 601218676 /nfs/dbraw/zinc/21/86/76/601218676.db2.gz WVYNQVMQDHGWCV-SNVBAGLBSA-N -2 3 363.391 3.380 20 0 FGADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000828883748 601229153 /nfs/dbraw/zinc/22/91/53/601229153.db2.gz JWCZKIUZNQHNBB-NSHDSACASA-N -2 3 369.389 3.135 20 0 FGADHL O=C([O-])c1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)cc1F ZINC000833119035 601636807 /nfs/dbraw/zinc/63/68/07/601636807.db2.gz VMMSSJWKKDNMET-UHFFFAOYSA-N -2 3 353.349 3.468 20 0 FGADHL O=C([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000037716744 601994246 /nfs/dbraw/zinc/99/42/46/601994246.db2.gz NSAUEWBGTNFAFE-UHFFFAOYSA-N -2 3 366.247 3.232 20 0 FGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)cc1 ZINC000739371193 602655248 /nfs/dbraw/zinc/65/52/48/602655248.db2.gz JMEUDIRHVCBXBJ-UHFFFAOYSA-N -2 3 364.423 3.044 20 0 FGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830072761 603401079 /nfs/dbraw/zinc/40/10/79/603401079.db2.gz JCMDTFFIMMWLQO-NSHDSACASA-N -2 3 352.387 3.264 20 0 FGADHL CC(C)Cc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833493715 605014394 /nfs/dbraw/zinc/01/43/94/605014394.db2.gz LCLSZYXBRUJPFN-NSHDSACASA-N -2 3 368.480 3.079 20 0 FGADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000834262022 606079576 /nfs/dbraw/zinc/07/95/76/606079576.db2.gz LDVJQJUDSGTEEK-UHFFFAOYSA-N -2 3 372.349 3.221 20 0 FGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826450179 608205389 /nfs/dbraw/zinc/20/53/89/608205389.db2.gz ABDDUVZZBPMQNU-UHFFFAOYSA-N -2 3 373.587 3.113 20 0 FGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826450179 608205391 /nfs/dbraw/zinc/20/53/91/608205391.db2.gz ABDDUVZZBPMQNU-UHFFFAOYSA-N -2 3 373.587 3.113 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc(C(=O)[O-])c1F ZINC000133967114 704809204 /nfs/dbraw/zinc/80/92/04/704809204.db2.gz VSDGZYKVOZSZFW-UHFFFAOYSA-N -2 3 363.288 3.050 20 0 FGADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000237601028 713594203 /nfs/dbraw/zinc/59/42/03/713594203.db2.gz VUPYWNOMPJDNMW-AWEZNQCLSA-N -2 3 351.761 3.439 20 0 FGADHL Cc1oc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)cc1C(=O)[O-] ZINC000646060452 718260563 /nfs/dbraw/zinc/26/05/63/718260563.db2.gz QNPHOAOSICLZDX-UHFFFAOYSA-N -2 3 369.826 3.297 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1C ZINC000808115961 725184583 /nfs/dbraw/zinc/18/45/83/725184583.db2.gz AVTOQJNKVPOJBD-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1C(=O)[O-] ZINC000540295652 503730997 /nfs/dbraw/zinc/73/09/97/503730997.db2.gz NBPISOIDABHCIQ-UHFFFAOYSA-N -2 3 367.448 3.225 20 0 FGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000579561375 505575660 /nfs/dbraw/zinc/57/56/60/505575660.db2.gz DMOKTGUVHXAMQE-GFCCVEGCSA-N -2 3 353.415 3.291 20 0 FGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000576919588 505624255 /nfs/dbraw/zinc/62/42/55/505624255.db2.gz FAADYKFBJHAJPH-SNVBAGLBSA-N -2 3 374.509 3.102 20 0 FGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000029389762 493836719 /nfs/dbraw/zinc/83/67/19/493836719.db2.gz ZMIGUEGUZVBHGU-UHFFFAOYSA-N -2 3 357.679 3.384 20 0 FGADHL Cc1ccc(-n2[n-]c(C(=O)N3CC[C@@H](C)c4cccc([O-])c43)cc2=O)cc1 ZINC000186330939 495952092 /nfs/dbraw/zinc/95/20/92/495952092.db2.gz JCCNRFKSDSYEMC-CQSZACIVSA-N -2 3 363.417 3.334 20 0 FGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)c1nc(C)cs1 ZINC000185008931 496620400 /nfs/dbraw/zinc/62/04/00/496620400.db2.gz QSMARVYOQNUSMA-NSHDSACASA-N -2 3 372.443 3.027 20 0 FGADHL CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000165030424 496645228 /nfs/dbraw/zinc/64/52/28/496645228.db2.gz NPKQUWNMANVGIV-UHFFFAOYSA-N -2 3 354.255 3.163 20 0 FGADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)s1 ZINC000185097627 496659415 /nfs/dbraw/zinc/65/94/15/496659415.db2.gz OKTHRYVQXUZKAM-SECBINFHSA-N -2 3 374.871 3.151 20 0 FGADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)CC(C)(C)C ZINC000574914870 505882846 /nfs/dbraw/zinc/88/28/46/505882846.db2.gz OGOFMSRORMUKCO-UHFFFAOYSA-N -2 3 361.435 3.026 20 0 FGADHL C[C@H]1CCN(C(=O)CSc2n[n-]c(=S)s2)c2c([O-])cccc21 ZINC000274411682 497092159 /nfs/dbraw/zinc/09/21/59/497092159.db2.gz VQWDPYRHTSCXMA-QMMMGPOBSA-N -2 3 353.494 3.165 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)sc1Cl ZINC000231807349 497110748 /nfs/dbraw/zinc/11/07/48/497110748.db2.gz KLLZLDKZFKRLJI-JTQLQIEISA-N -2 3 353.893 3.125 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1CC(=O)[O-] ZINC000271585679 497390689 /nfs/dbraw/zinc/39/06/89/497390689.db2.gz DIFMKXIEUZDRFW-UHFFFAOYSA-N -2 3 363.435 3.247 20 0 FGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000578503195 505955972 /nfs/dbraw/zinc/95/59/72/505955972.db2.gz LSEIWUXBECRIDP-QMMMGPOBSA-N -2 3 372.468 3.080 20 0 FGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)CCC(=O)[O-] ZINC000316401797 498786755 /nfs/dbraw/zinc/78/67/55/498786755.db2.gz XTISYNKVMZGPKS-UHFFFAOYSA-N -2 3 351.827 3.039 20 0 FGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000317343639 498792343 /nfs/dbraw/zinc/79/23/43/498792343.db2.gz LYJJYMGXRVTXJE-SNVBAGLBSA-N -2 3 351.827 3.037 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000320630522 498809697 /nfs/dbraw/zinc/80/96/97/498809697.db2.gz GHINDCROENSCLE-UHFFFAOYSA-N -2 3 371.764 3.035 20 0 FGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000321302404 498812166 /nfs/dbraw/zinc/81/21/66/498812166.db2.gz ZLERRHVIHNYUPS-CQSZACIVSA-N -2 3 374.245 3.140 20 0 FGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000325569530 498837551 /nfs/dbraw/zinc/83/75/51/498837551.db2.gz LBVWPTXLLLEQOA-OCCSQVGLSA-N -2 3 365.373 3.017 20 0 FGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387973591 499550239 /nfs/dbraw/zinc/55/02/39/499550239.db2.gz MIBHNHBKLNBWAH-UWVGGRQHSA-N -2 3 351.827 3.037 20 0 FGADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000392844679 499559337 /nfs/dbraw/zinc/55/93/37/499559337.db2.gz BKHUFSSQELSPPK-QMMMGPOBSA-N -2 3 373.780 3.138 20 0 FGADHL C[C@H]1CCCN1C(=O)c1ccc(-c2nc3cc(F)c([O-])cc3c(=O)[n-]2)cc1 ZINC000416409951 500038348 /nfs/dbraw/zinc/03/83/48/500038348.db2.gz DELYAHHRZFGXJI-NSHDSACASA-N -2 3 367.380 3.472 20 0 FGADHL COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1[O-] ZINC000426811795 500323530 /nfs/dbraw/zinc/32/35/30/500323530.db2.gz OMSGWYJCXLOJTQ-CQSZACIVSA-N -2 3 366.211 3.079 20 0 FGADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000573420681 506190291 /nfs/dbraw/zinc/19/02/91/506190291.db2.gz CLOQDPCSKUZNDR-QMMMGPOBSA-N -2 3 353.774 3.215 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c1Cl ZINC000424390726 500495862 /nfs/dbraw/zinc/49/58/62/500495862.db2.gz KZQAOZXAGOSYAK-UHFFFAOYSA-N -2 3 354.255 3.081 20 0 FGADHL CCOc1cc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000424413054 500499979 /nfs/dbraw/zinc/49/99/79/500499979.db2.gz OCJRHNMMISIJEO-YGRLFVJLSA-N -2 3 372.259 3.239 20 0 FGADHL Cc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3[O-])[n-]2)o1 ZINC000437000903 500590517 /nfs/dbraw/zinc/59/05/17/500590517.db2.gz PYPRXZOZHPWFJW-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(Br)cc3[O-])n2)o1 ZINC000437000903 500590519 /nfs/dbraw/zinc/59/05/19/500590519.db2.gz PYPRXZOZHPWFJW-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3[O-])n[n-]2)o1 ZINC000437000903 500590521 /nfs/dbraw/zinc/59/05/21/500590521.db2.gz PYPRXZOZHPWFJW-UHFFFAOYSA-N -2 3 363.171 3.094 20 0 FGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000435713265 501015940 /nfs/dbraw/zinc/01/59/40/501015940.db2.gz BYTVWRSBHCBSIO-UHFFFAOYSA-N -2 3 369.826 3.464 20 0 FGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c1 ZINC000478598001 502029120 /nfs/dbraw/zinc/02/91/20/502029120.db2.gz WNBLDGDVOOXMJI-UHFFFAOYSA-N -2 3 359.856 3.011 20 0 FGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC000479615114 502319055 /nfs/dbraw/zinc/31/90/55/502319055.db2.gz MMKYVTYOLXFKDH-SNVBAGLBSA-N -2 3 368.282 3.327 20 0 FGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(F)c1 ZINC000476398171 502479648 /nfs/dbraw/zinc/47/96/48/502479648.db2.gz NWLCYIIQGOAIFQ-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000484577136 502674070 /nfs/dbraw/zinc/67/40/70/502674070.db2.gz XJTQNQSEIPJEQY-UHFFFAOYSA-N -2 3 361.419 3.208 20 0 FGADHL COC(=O)c1cc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])c[n-]1 ZINC000490845913 503236138 /nfs/dbraw/zinc/23/61/38/503236138.db2.gz RJRCKDQKAZBHGL-UHFFFAOYSA-N -2 3 373.590 3.175 20 0 FGADHL CC(C)(C)c1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c([O-])c1 ZINC000507288148 503269336 /nfs/dbraw/zinc/26/93/36/503269336.db2.gz ZCCHUXICFXONRP-UHFFFAOYSA-N -2 3 353.378 3.285 20 0 FGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc2[nH]ncc21 ZINC000499264544 503368513 /nfs/dbraw/zinc/36/85/13/503368513.db2.gz HXMAUAFXLZMQNS-UHFFFAOYSA-N -2 3 365.798 3.024 20 0 FGADHL Cc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)c1 ZINC000504729935 503609871 /nfs/dbraw/zinc/60/98/71/503609871.db2.gz LBHIQTFXFSGQKT-WAYWQWQTSA-N -2 3 363.211 3.359 20 0 FGADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1Br ZINC000504739441 503610817 /nfs/dbraw/zinc/61/08/17/503610817.db2.gz DBUNUAKGWHYTJE-GQCTYLIASA-N -2 3 363.211 3.359 20 0 FGADHL CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)c([O-])c(OC)c2)[n-]c1=O ZINC000527054093 503661251 /nfs/dbraw/zinc/66/12/51/503661251.db2.gz BLZBBNCMEXOSFE-UITAMQMPSA-N -2 3 364.785 3.287 20 0 FGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)c1F ZINC000540497698 503793682 /nfs/dbraw/zinc/79/36/82/503793682.db2.gz BEMQLPREGWDUMJ-UHFFFAOYSA-N -2 3 367.398 3.015 20 0 FGADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(C)c1 ZINC000537195838 503836235 /nfs/dbraw/zinc/83/62/35/503836235.db2.gz ZVOBBYYIIGVHSM-UHFFFAOYSA-N -2 3 351.424 3.299 20 0 FGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)c1 ZINC000530135737 503849606 /nfs/dbraw/zinc/84/96/06/503849606.db2.gz YJYVTHHJTXFUDW-QGZVFWFLSA-N -2 3 353.415 3.223 20 0 FGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)c1 ZINC000537430016 503912611 /nfs/dbraw/zinc/91/26/11/503912611.db2.gz FLYDZTZCFYOPHB-ZDUSSCGKSA-N -2 3 365.426 3.304 20 0 FGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000530629066 504032486 /nfs/dbraw/zinc/03/24/86/504032486.db2.gz GWEQVRZZBCEEEZ-UHFFFAOYSA-N -2 3 367.782 3.487 20 0 FGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1CC(=O)[O-] ZINC000538139032 504143559 /nfs/dbraw/zinc/14/35/59/504143559.db2.gz YHUARWURQNIVIQ-UHFFFAOYSA-N -2 3 363.435 3.247 20 0 FGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)s1 ZINC000547546476 504145403 /nfs/dbraw/zinc/14/54/03/504145403.db2.gz UXEFONNATLMSHD-GFCCVEGCSA-N -2 3 359.494 3.211 20 0 FGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000547591433 504152589 /nfs/dbraw/zinc/15/25/89/504152589.db2.gz NUXBCSLRWZJJRH-AWEZNQCLSA-N -2 3 371.817 3.282 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])c(Cl)cc1F ZINC000547611186 504155696 /nfs/dbraw/zinc/15/56/96/504155696.db2.gz HIXMYLWSQIRCLM-UHFFFAOYSA-N -2 3 371.817 3.007 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c(C)c1 ZINC000547872431 504256114 /nfs/dbraw/zinc/25/61/14/504256114.db2.gz CNFIQDQIUJZYER-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547884712 504258437 /nfs/dbraw/zinc/25/84/37/504258437.db2.gz MNMHUUQNHSFPRS-VIFPVBQESA-N -2 3 361.872 3.334 20 0 FGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)c1 ZINC000547894379 504259666 /nfs/dbraw/zinc/25/96/66/504259666.db2.gz UIXYEUGBNZBUEA-UHFFFAOYSA-N -2 3 355.362 3.389 20 0 FGADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000548027354 504302615 /nfs/dbraw/zinc/30/26/15/504302615.db2.gz FTJLFDSTKPQVME-LBPRGKRZSA-N -2 3 373.883 3.013 20 0 FGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(Cl)c1 ZINC000548555621 504481282 /nfs/dbraw/zinc/48/12/82/504481282.db2.gz XZBBACCSGCAUPQ-UHFFFAOYSA-N -2 3 368.823 3.449 20 0 FGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1C ZINC000535599775 504482618 /nfs/dbraw/zinc/48/26/18/504482618.db2.gz VLGNMRSUIHYPLV-UHFFFAOYSA-N -2 3 367.398 3.259 20 0 FGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000548591333 504487319 /nfs/dbraw/zinc/48/73/19/504487319.db2.gz GHCWGSLFKMAIHZ-GFCCVEGCSA-N -2 3 371.430 3.438 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000539398322 504556393 /nfs/dbraw/zinc/55/63/93/504556393.db2.gz XSZVKUZPNJUEST-UHFFFAOYSA-N -2 3 365.304 3.360 20 0 FGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c1 ZINC000539398053 504556884 /nfs/dbraw/zinc/55/68/84/504556884.db2.gz GLNXMDRAIAJKOD-UHFFFAOYSA-N -2 3 361.423 3.132 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cccs2)CCC(c2ccccc2)CC1 ZINC000548769894 504560079 /nfs/dbraw/zinc/56/00/79/504560079.db2.gz JDRMZDPXGNRLDL-UHFFFAOYSA-N -2 3 365.476 3.208 20 0 FGADHL C[C@]1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000563080535 505042001 /nfs/dbraw/zinc/04/20/01/505042001.db2.gz JPEAJEGVRVVGDL-RISCZKNCSA-N -2 3 365.373 3.017 20 0 FGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC1 ZINC000560418707 505077987 /nfs/dbraw/zinc/07/79/87/505077987.db2.gz DIDLQNIXXUACMN-UHFFFAOYSA-N -2 3 371.764 3.035 20 0 FGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])sc1Cl ZINC000583306878 506707870 /nfs/dbraw/zinc/70/78/70/506707870.db2.gz JVPDIIOVERTQHK-MNOVXSKESA-N -2 3 365.904 3.412 20 0 FGADHL Cc1cc(SCC(=O)N=c2ccc([O-])n[n-]2)c(C)cc1Br ZINC000484456772 514658086 /nfs/dbraw/zinc/65/80/86/514658086.db2.gz WLLDKOOQCYLPPH-UHFFFAOYSA-N -2 3 368.256 3.292 20 0 FGADHL O=C([O-])N1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000738487321 599740258 /nfs/dbraw/zinc/74/02/58/599740258.db2.gz SYLUQLABGXPRNJ-UHFFFAOYSA-N -2 3 368.433 3.050 20 0 FGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1C(=O)[O-] ZINC000738745653 600103727 /nfs/dbraw/zinc/10/37/27/600103727.db2.gz TYOMRPCLDOWXET-UHFFFAOYSA-N -2 3 360.435 3.094 20 0 FGADHL CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000736191264 600126361 /nfs/dbraw/zinc/12/63/61/600126361.db2.gz XCHMRHYGUYZAIE-UHFFFAOYSA-N -2 3 354.318 3.098 20 0 FGADHL CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000736191264 600126362 /nfs/dbraw/zinc/12/63/62/600126362.db2.gz XCHMRHYGUYZAIE-UHFFFAOYSA-N -2 3 354.318 3.098 20 0 FGADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1C ZINC000738356205 600302872 /nfs/dbraw/zinc/30/28/72/600302872.db2.gz RQIBHLRFTRWFBL-UHFFFAOYSA-N -2 3 362.451 3.489 20 0 FGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000740076221 600887820 /nfs/dbraw/zinc/88/78/20/600887820.db2.gz SBWMGQPTNFUJGA-UHFFFAOYSA-N -2 3 365.716 3.256 20 0 FGADHL Cc1noc(C(F)F)c1C(=O)[N-]c1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000832866893 600944537 /nfs/dbraw/zinc/94/45/37/600944537.db2.gz GULZGCAHQHROKX-UHFFFAOYSA-N -2 3 368.321 3.184 20 0 FGADHL O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833180881 601093556 /nfs/dbraw/zinc/09/35/56/601093556.db2.gz XSTACRAQDGOXEI-KBXCAEBGSA-N -2 3 368.433 3.024 20 0 FGADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000828672361 601478883 /nfs/dbraw/zinc/47/88/83/601478883.db2.gz QPGVWDQYIKUTIT-GFCCVEGCSA-N -2 3 373.780 3.281 20 0 FGADHL Cc1nc(CC(C)C)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1 ZINC000832999411 601681101 /nfs/dbraw/zinc/68/11/01/601681101.db2.gz VACHUHYMFMCRLQ-UHFFFAOYSA-N -2 3 368.484 3.161 20 0 FGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000403280254 601962214 /nfs/dbraw/zinc/96/22/14/601962214.db2.gz ZIPYLALKVWJXHF-UHFFFAOYSA-N -2 3 351.827 3.183 20 0 FGADHL O=C([O-])NCC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000740643189 602029685 /nfs/dbraw/zinc/02/96/85/602029685.db2.gz JZUKCBDWMQABJB-UHFFFAOYSA-N -2 3 368.433 3.103 20 0 FGADHL CN(C[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)C(=O)[O-] ZINC000739657801 602575233 /nfs/dbraw/zinc/57/52/33/602575233.db2.gz MNHRLEDPBKJRPL-QGZVFWFLSA-N -2 3 368.433 3.055 20 0 FGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C ZINC000739502404 602645267 /nfs/dbraw/zinc/64/52/67/602645267.db2.gz ABNRLSXRKZQUOA-UHFFFAOYSA-N -2 3 350.396 3.284 20 0 FGADHL O=C([O-])NCc1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)o1 ZINC000832710474 602854672 /nfs/dbraw/zinc/85/46/72/602854672.db2.gz PKUSQJWSLHDCSW-UHFFFAOYSA-N -2 3 364.427 3.274 20 0 FGADHL CC(C)[C@@H](CCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1)NC(=O)[O-] ZINC000824105521 603853756 /nfs/dbraw/zinc/85/37/56/603853756.db2.gz XEQTUFIMMVBEFE-CYBMUJFWSA-N -2 3 372.425 3.196 20 0 FGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)ccc1F ZINC000832904250 604807512 /nfs/dbraw/zinc/80/75/12/604807512.db2.gz BYMBCMIHNVCBES-UHFFFAOYSA-N -2 3 373.789 3.052 20 0 FGADHL O=C([O-])N[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000834251763 605537988 /nfs/dbraw/zinc/53/79/88/605537988.db2.gz SLAYVQWMLUXXFY-CYBMUJFWSA-N -2 3 365.183 3.102 20 0 FGADHL CC[C@@H](C)CSc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000820870398 606980151 /nfs/dbraw/zinc/98/01/51/606980151.db2.gz RZKLDKYUBHNZHJ-SNVBAGLBSA-N -2 3 372.454 3.176 20 0 FGADHL