smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1C ZINC000005135082 539403312 /nfs/dbraw/zinc/40/33/12/539403312.db2.gz MRBPKWCJHTVBNH-UHFFFAOYSA-N -2 0 366.351 2.416 20 0 FEADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000023385665 539713047 /nfs/dbraw/zinc/71/30/47/539713047.db2.gz XRPFDRGATYLRDK-UHFFFAOYSA-N -2 0 374.827 2.017 20 0 FEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1 ZINC000032087891 539928530 /nfs/dbraw/zinc/92/85/30/539928530.db2.gz BAWDECKMGVJZOL-UHFFFAOYSA-N -2 0 352.393 2.132 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)sc1C(=O)[O-] ZINC000042791536 540078919 /nfs/dbraw/zinc/07/89/19/540078919.db2.gz MZUMGYZHEOIGTF-UHFFFAOYSA-N -2 0 368.436 2.257 20 0 FEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000054294788 540581736 /nfs/dbraw/zinc/58/17/36/540581736.db2.gz AQZMMKGRLUTNIC-UHFFFAOYSA-N -2 0 363.391 2.326 20 0 FEADRL COC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000055581020 540660873 /nfs/dbraw/zinc/66/08/73/540660873.db2.gz WDMUTVLRIPIAJQ-UHFFFAOYSA-N -2 0 369.420 2.271 20 0 FEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000226354134 206121891 /nfs/dbraw/zinc/12/18/91/206121891.db2.gz PYMAXOPGJCRWTE-UHFFFAOYSA-N -2 0 364.379 2.153 20 0 FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)c1 ZINC000156337593 545619367 /nfs/dbraw/zinc/61/93/67/545619367.db2.gz WRMNZEQYCLLQHN-UHFFFAOYSA-N -2 0 363.317 2.095 20 0 FEADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccs1)OCCCO2 ZINC000013186475 324374345 /nfs/dbraw/zinc/37/43/45/324374345.db2.gz QQUZGMATQNMGED-UHFFFAOYSA-N -2 0 355.393 2.408 20 0 FEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1 ZINC000013358617 324375390 /nfs/dbraw/zinc/37/53/90/324375390.db2.gz PJYSOHXDERWDSR-UHFFFAOYSA-N -2 0 364.379 2.153 20 0 FEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000133662122 326612717 /nfs/dbraw/zinc/61/27/17/326612717.db2.gz ZHAMQALPWDWLBU-UHFFFAOYSA-N -2 0 351.428 2.245 20 0 FEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000156346436 326827728 /nfs/dbraw/zinc/82/77/28/326827728.db2.gz WNMYRFXPIRLAOH-UHFFFAOYSA-N -2 0 355.391 2.486 20 0 FEADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1Cl ZINC000172605425 327211033 /nfs/dbraw/zinc/21/10/33/327211033.db2.gz PSUWAXLTYIXJLD-UHFFFAOYSA-N -2 0 357.819 2.237 20 0 FEADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262289486 328856931 /nfs/dbraw/zinc/85/69/31/328856931.db2.gz GPQCRWKQXGDOGH-UHFFFAOYSA-N -2 0 368.455 2.165 20 0 FEADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263324467 328933044 /nfs/dbraw/zinc/93/30/44/328933044.db2.gz KHMPTIQFBCUYQS-QWHCGFSZSA-N -2 0 368.455 2.021 20 0 FEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)C1 ZINC000263332857 328933456 /nfs/dbraw/zinc/93/34/56/328933456.db2.gz LWUFUGUXBIHSQF-KBMXLJTQSA-N -2 0 362.426 2.215 20 0 FEADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1C ZINC000266769500 329258031 /nfs/dbraw/zinc/25/80/31/329258031.db2.gz RXOQKRBAHBAIFK-UHFFFAOYSA-N -2 0 372.424 2.071 20 0 FEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)N(C)C)c1 ZINC000267491219 329332805 /nfs/dbraw/zinc/33/28/05/329332805.db2.gz FBQWWIAQVOKPCJ-UHFFFAOYSA-N -2 0 366.395 2.097 20 0 FEADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1C1CC1 ZINC000267494195 329333010 /nfs/dbraw/zinc/33/30/10/329333010.db2.gz XHJHGCBVIBUOAV-UHFFFAOYSA-N -2 0 365.411 2.288 20 0 FEADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnc(N(C)C)nc1 ZINC000479468622 561190129 /nfs/dbraw/zinc/19/01/29/561190129.db2.gz OFSTUPNUILJDPW-UHFFFAOYSA-N -2 0 370.818 2.003 20 0 FEADRL Cc1cc(C(=O)N2CCc3c2cccc3Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000176339211 546433878 /nfs/dbraw/zinc/43/38/78/546433878.db2.gz SQFVDHJLFSUSKH-UHFFFAOYSA-N -2 0 356.769 2.188 20 0 FEADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc(C)c1C ZINC000484144857 561292313 /nfs/dbraw/zinc/29/23/13/561292313.db2.gz QZCVUOBIIMBQOC-UHFFFAOYSA-N -2 0 367.379 2.490 20 0 FEADRL Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c1F ZINC000484566313 561300159 /nfs/dbraw/zinc/30/01/59/561300159.db2.gz MSKJMAIMHAUHLG-UHFFFAOYSA-N -2 0 353.327 2.362 20 0 FEADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cn1 ZINC000484584149 561300603 /nfs/dbraw/zinc/30/06/03/561300603.db2.gz NABDBRAQYQORQQ-UHFFFAOYSA-N -2 0 373.390 2.380 20 0 FEADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000485655117 561324992 /nfs/dbraw/zinc/32/49/92/561324992.db2.gz NJMGLPAKAXEJQS-QWHCGFSZSA-N -2 0 360.391 2.147 20 0 FEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cc12 ZINC000489706828 561417514 /nfs/dbraw/zinc/41/75/14/561417514.db2.gz CKAGJPQHPCFLCQ-UHFFFAOYSA-N -2 0 351.315 2.169 20 0 FEADRL O=C([O-])CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000262463785 549821843 /nfs/dbraw/zinc/82/18/43/549821843.db2.gz SSGNCZAJGJHLKH-UHFFFAOYSA-N -2 0 374.615 2.385 20 0 FEADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000491088983 561442939 /nfs/dbraw/zinc/44/29/39/561442939.db2.gz LJMBCMSESBBBKH-UHFFFAOYSA-N -2 0 374.422 2.327 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)ccc1Cl ZINC000285076608 551701035 /nfs/dbraw/zinc/70/10/35/551701035.db2.gz MATFNPIBOXHIII-UHFFFAOYSA-N -2 0 355.803 2.372 20 0 FEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C ZINC000499291166 561547998 /nfs/dbraw/zinc/54/79/98/561547998.db2.gz MURPIDWAMHNIGJ-UHFFFAOYSA-N -2 0 367.427 2.355 20 0 FEADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000499524017 561552846 /nfs/dbraw/zinc/55/28/46/561552846.db2.gz RREZAWQJRBSXNZ-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL COc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c(C(=O)[O-])c1 ZINC000504630518 561660550 /nfs/dbraw/zinc/66/05/50/561660550.db2.gz ZEMKVPTWBSPAKF-UHFFFAOYSA-N -2 0 373.390 2.380 20 0 FEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1CO ZINC000321931702 553767336 /nfs/dbraw/zinc/76/73/36/553767336.db2.gz CLDRZCUGLIGECN-UHFFFAOYSA-N -2 0 357.409 2.138 20 0 FEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000325073335 553774883 /nfs/dbraw/zinc/77/48/83/553774883.db2.gz WSKAGXUGUUNIKX-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL COc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000325030670 553775020 /nfs/dbraw/zinc/77/50/20/553775020.db2.gz LXORMKSNIXOUMC-UHFFFAOYSA-N -2 0 352.324 2.102 20 0 FEADRL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000325811590 553778402 /nfs/dbraw/zinc/77/84/02/553778402.db2.gz LJRPEHVRGXIKDK-AWEZNQCLSA-N -2 0 355.362 2.329 20 0 FEADRL COc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000507613940 561735154 /nfs/dbraw/zinc/73/51/54/561735154.db2.gz UHPCZZNPPIBYMZ-UHFFFAOYSA-N -2 0 369.326 2.032 20 0 FEADRL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000509540856 561804583 /nfs/dbraw/zinc/80/45/83/561804583.db2.gz PSEUYNJOVPKKJX-UHFFFAOYSA-N -2 0 360.395 2.316 20 0 FEADRL CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3c[nH]c(C)n3)c2)n1 ZINC000363094948 555028965 /nfs/dbraw/zinc/02/89/65/555028965.db2.gz PRSNNFMPLCGKDS-UHFFFAOYSA-N -2 0 359.411 2.244 20 0 FEADRL O=C([O-])Cc1cccc(S(=O)(=O)Nc2cccc(OCCF)c2)c1 ZINC000515931443 562025863 /nfs/dbraw/zinc/02/58/63/562025863.db2.gz DGFLZJLTQCOLDA-UHFFFAOYSA-N -2 0 353.371 2.463 20 0 FEADRL COC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000516343788 562040588 /nfs/dbraw/zinc/04/05/88/562040588.db2.gz WIESASUNLZNJJZ-UHFFFAOYSA-N -2 0 371.392 2.042 20 0 FEADRL Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000522274065 562195878 /nfs/dbraw/zinc/19/58/78/562195878.db2.gz QNMYVBXHYHXKLO-UHFFFAOYSA-N -2 0 362.367 2.181 20 0 FEADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000391722993 558614829 /nfs/dbraw/zinc/61/48/29/558614829.db2.gz KEXLOUXXPVNLMT-UHFFFAOYSA-N -2 0 373.383 2.481 20 0 FEADRL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000410412657 558755836 /nfs/dbraw/zinc/75/58/36/558755836.db2.gz DTEGDKKLBHQOCI-UHFFFAOYSA-N -2 0 374.422 2.233 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000525368878 562246812 /nfs/dbraw/zinc/24/68/12/562246812.db2.gz QNRNWIYFDCWBHH-UHFFFAOYSA-N -2 0 368.386 2.452 20 0 FEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(F)c1 ZINC000526005193 562263331 /nfs/dbraw/zinc/26/33/31/562263331.db2.gz YGZPNNDUMVIUPT-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cn21 ZINC000416405806 559310540 /nfs/dbraw/zinc/31/05/40/559310540.db2.gz CWLJSHQNMJOPEU-VIFPVBQESA-N -2 0 353.375 2.419 20 0 FEADRL C[C@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])[C@H]1C(=O)[O-] ZINC000424365694 559662095 /nfs/dbraw/zinc/66/20/95/559662095.db2.gz HMAWKXUVOKOQPW-QPUJVOFHSA-N -2 0 367.345 2.285 20 0 FEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(Cc2ccccc2)nn1 ZINC000429788307 559805739 /nfs/dbraw/zinc/80/57/39/559805739.db2.gz YKAWNEQFXPEEIR-UHFFFAOYSA-N -2 0 372.406 2.134 20 0 FEADRL COc1nc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2s1 ZINC000430978061 559831887 /nfs/dbraw/zinc/83/18/87/559831887.db2.gz ZGKDVNFRSNZLMJ-UHFFFAOYSA-N -2 0 353.381 2.132 20 0 FEADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc21 ZINC000433527113 559883680 /nfs/dbraw/zinc/88/36/80/559883680.db2.gz YQQIGKJQYJGJMA-UHFFFAOYSA-N -2 0 361.379 2.261 20 0 FEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)(F)F ZINC000436150859 559936194 /nfs/dbraw/zinc/93/61/94/559936194.db2.gz GZIWFTZCJDWQQV-UHFFFAOYSA-N -2 0 363.317 2.246 20 0 FEADRL CCOc1ccncc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000436476077 559942418 /nfs/dbraw/zinc/94/24/18/559942418.db2.gz HRODPBAEUVZCQQ-UHFFFAOYSA-N -2 0 358.322 2.258 20 0 FEADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c(C(=O)[O-])c1 ZINC000436662100 559947985 /nfs/dbraw/zinc/94/79/85/559947985.db2.gz HUFVFIIYBBBVMK-UHFFFAOYSA-N -2 0 365.363 2.206 20 0 FEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)c1O ZINC000436944317 559957100 /nfs/dbraw/zinc/95/71/00/559957100.db2.gz JNGVDLVCSOSGAG-UHFFFAOYSA-N -2 0 362.285 2.305 20 0 FEADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438763803 559983261 /nfs/dbraw/zinc/98/32/61/559983261.db2.gz INLIZSVXPODXBA-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL CCc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000440821653 560019061 /nfs/dbraw/zinc/01/90/61/560019061.db2.gz RXXPGIDEZAGJSV-UHFFFAOYSA-N -2 0 363.391 2.375 20 0 FEADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)n[nH]2)o1 ZINC000446621331 560148732 /nfs/dbraw/zinc/14/87/32/560148732.db2.gz BVIZXDDMTUGMPL-UHFFFAOYSA-N -2 0 363.351 2.183 20 0 FEADRL CCOC(=O)c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000461968479 560790119 /nfs/dbraw/zinc/79/01/19/560790119.db2.gz HDXAYCXGEPHTGM-UHFFFAOYSA-N -2 0 368.349 2.173 20 0 FEADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C(=O)[O-])c1 ZINC000462080133 560795734 /nfs/dbraw/zinc/79/57/34/560795734.db2.gz JPZCBVJCERNNHY-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000462101062 560797233 /nfs/dbraw/zinc/79/72/33/560797233.db2.gz IEOFBSWPJLEKPU-UHFFFAOYSA-N -2 0 367.354 2.040 20 0 FEADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000466424847 560886791 /nfs/dbraw/zinc/88/67/91/560886791.db2.gz HHALGQXBVGPCRF-UHFFFAOYSA-N -2 0 351.380 2.080 20 0 FEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000467745375 560916317 /nfs/dbraw/zinc/91/63/17/560916317.db2.gz JVDBGLYJOYTDCW-UHFFFAOYSA-N -3 0 364.335 2.267 20 0 FEADRL Cc1cc(C(=O)Nc2ccc3c(c2)CCCO3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469127928 560947903 /nfs/dbraw/zinc/94/79/03/560947903.db2.gz VJEABSIGVGIKKV-UHFFFAOYSA-N -2 0 352.350 2.322 20 0 FEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000475826022 561106312 /nfs/dbraw/zinc/10/63/12/561106312.db2.gz IKOCTBUBGNNDIG-UHFFFAOYSA-N -2 0 363.439 2.493 20 0 FEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000531383915 562444188 /nfs/dbraw/zinc/44/41/88/562444188.db2.gz FKAXRYFJFTVOLX-UHFFFAOYSA-N -2 0 355.343 2.342 20 0 FEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000535687226 562564055 /nfs/dbraw/zinc/56/40/55/562564055.db2.gz WOSNCNUVWVWCKQ-UHFFFAOYSA-N -2 0 368.436 2.457 20 0 FEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(O)c1 ZINC000541077606 562602168 /nfs/dbraw/zinc/60/21/68/562602168.db2.gz YGMBMAFVOLNPBW-UHFFFAOYSA-N -2 0 362.285 2.305 20 0 FEADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000556701340 674413727 /nfs/dbraw/zinc/41/37/27/674413727.db2.gz NAYIHWXMCNAYEC-UHFFFAOYSA-N -2 0 355.391 2.490 20 0 FEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000819626055 597315818 /nfs/dbraw/zinc/31/58/18/597315818.db2.gz CCLWMCQPPWGXGI-UHFFFAOYSA-N -2 0 365.798 2.416 20 0 FEADRL Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000820963786 598197773 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/nfs/dbraw/zinc/14/16/71/561141671.db2.gz VCUNUXOKXVBDDU-UHFFFAOYSA-N -2 0 369.326 2.062 20 0 FEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000479265515 561186284 /nfs/dbraw/zinc/18/62/84/561186284.db2.gz IZTBRNUOQWYETD-UHFFFAOYSA-N -2 0 365.363 2.231 20 0 FEADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc(C(=O)[O-])c1OC ZINC000481590799 561236822 /nfs/dbraw/zinc/23/68/22/561236822.db2.gz HBKRDOJGULFNIY-UHFFFAOYSA-N -2 0 371.342 2.048 20 0 FEADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481975637 561246535 /nfs/dbraw/zinc/24/65/35/561246535.db2.gz WFNOUYAOKSUHAM-UHFFFAOYSA-N -2 0 362.407 2.097 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485027185 561310705 /nfs/dbraw/zinc/31/07/05/561310705.db2.gz DNDRRLOSNDGMCG-UHFFFAOYSA-N -2 0 350.183 2.226 20 0 FEADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-] ZINC000485267379 561316026 /nfs/dbraw/zinc/31/60/26/561316026.db2.gz FMQIFLDXVQZEDK-UHFFFAOYSA-N -2 0 369.326 2.032 20 0 FEADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000227864452 548751988 /nfs/dbraw/zinc/75/19/88/548751988.db2.gz WRVITGXRYKLOAX-UHFFFAOYSA-N -2 0 350.183 2.226 20 0 FEADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000489034816 561402001 /nfs/dbraw/zinc/40/20/01/561402001.db2.gz COJRTPZQOMTXTK-UHFFFAOYSA-N -2 0 356.425 2.278 20 0 FEADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000262952904 549865285 /nfs/dbraw/zinc/86/52/85/549865285.db2.gz IQHFYVAPYHFEIK-UHFFFAOYSA-N -2 0 356.444 2.069 20 0 FEADRL COc1cncc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000281754984 551139594 /nfs/dbraw/zinc/13/95/94/551139594.db2.gz FWKRFXWUHDZTIK-UHFFFAOYSA-N -2 0 350.396 2.298 20 0 FEADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000284918713 551667337 /nfs/dbraw/zinc/66/73/37/551667337.db2.gz BRYUESCWIKTBMQ-SNVBAGLBSA-N -2 0 355.441 2.269 20 0 FEADRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cccc(F)c1F)C(F)(F)F ZINC000285053220 551697374 /nfs/dbraw/zinc/69/73/74/551697374.db2.gz JSHKNVFWSOTPEH-ZETCQYMHSA-N -2 0 361.288 2.286 20 0 FEADRL Cc1nc(C)c(S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000285285753 551732164 /nfs/dbraw/zinc/73/21/64/551732164.db2.gz XBCRBPANRALBBU-QMMMGPOBSA-N -2 0 360.379 2.082 20 0 FEADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000500617630 561578170 /nfs/dbraw/zinc/57/81/70/561578170.db2.gz PNSQLFZXCSUWIG-UHFFFAOYSA-N -2 0 352.343 2.148 20 0 FEADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C2CC2)n1 ZINC000291117395 552588976 /nfs/dbraw/zinc/58/89/76/552588976.db2.gz NDAATDCDXOBCBZ-UHFFFAOYSA-N -2 0 355.803 2.450 20 0 FEADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccsc1)OCCCO2 ZINC000504679907 561661305 /nfs/dbraw/zinc/66/13/05/561661305.db2.gz HBCFKODBNBNQKQ-UHFFFAOYSA-N -2 0 355.393 2.408 20 0 FEADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000324018386 553770783 /nfs/dbraw/zinc/77/07/83/553770783.db2.gz LIEUEQVKFCHFPN-UHFFFAOYSA-N -2 0 366.782 2.334 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cs1 ZINC000324849498 553774019 /nfs/dbraw/zinc/77/40/19/553774019.db2.gz TVFGWHYWAUSERT-UHFFFAOYSA-N -2 0 366.420 2.374 20 0 FEADRL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327282792 553787417 /nfs/dbraw/zinc/78/74/17/553787417.db2.gz WBLXMKAIPYOTCQ-UHFFFAOYSA-N -2 0 369.370 2.350 20 0 FEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(C)C ZINC000327940607 553792328 /nfs/dbraw/zinc/79/23/28/553792328.db2.gz PZDMMLJBKQLSBW-UHFFFAOYSA-N -2 0 362.407 2.196 20 0 FEADRL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000328125917 553792837 /nfs/dbraw/zinc/79/28/37/553792837.db2.gz YGQXLFPPTWPHCB-AWEZNQCLSA-N -2 0 373.352 2.468 20 0 FEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000507001931 561713602 /nfs/dbraw/zinc/71/36/02/561713602.db2.gz MPBFJMNQRCDABX-UHFFFAOYSA-N -2 0 355.343 2.342 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)ccc1C(=O)[O-] ZINC000507950575 561747084 /nfs/dbraw/zinc/74/70/84/561747084.db2.gz LERXETOPOSNNFK-UHFFFAOYSA-N -2 0 363.317 2.246 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])CCCC3)c[nH]1 ZINC000509376034 561797021 /nfs/dbraw/zinc/79/70/21/561797021.db2.gz MUUQMEOCHHYWMG-UHFFFAOYSA-N -2 0 364.379 2.091 20 0 FEADRL COC(=O)c1c(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000509389622 561797521 /nfs/dbraw/zinc/79/75/21/561797521.db2.gz FLOAOMKSVZNYLI-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000509662413 561809842 /nfs/dbraw/zinc/80/98/42/561809842.db2.gz CCKGOKCEZQLWTA-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL CCCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000509595746 561806840 /nfs/dbraw/zinc/80/68/40/561806840.db2.gz JMMURERGCDLBCN-UHFFFAOYSA-N -2 0 352.368 2.164 20 0 FEADRL Cn1cnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000364006960 555232315 /nfs/dbraw/zinc/23/23/15/555232315.db2.gz VROCFKPBKPSHMO-UHFFFAOYSA-N -2 0 364.408 2.043 20 0 FEADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000366033939 555732966 /nfs/dbraw/zinc/73/29/66/555732966.db2.gz OVCOKCTWKSKCCS-UHFFFAOYSA-N -2 0 360.395 2.018 20 0 FEADRL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000366995893 555992518 /nfs/dbraw/zinc/99/25/18/555992518.db2.gz WJUFZFANNYMCSU-UHFFFAOYSA-N -2 0 361.379 2.488 20 0 FEADRL CCc1nnc([O-])c(C(=O)N=c2cc(-c3cncc(C)c3)o[nH]2)c1CC ZINC000377809430 558424033 /nfs/dbraw/zinc/42/40/33/558424033.db2.gz PHDGEHAKHWAZSX-UHFFFAOYSA-N -2 0 353.382 2.918 20 0 FEADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000392156452 558615984 /nfs/dbraw/zinc/61/59/84/558615984.db2.gz HHARLUBWZDJKRR-UHFFFAOYSA-N -2 0 357.315 2.013 20 0 FEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(C)C ZINC000393059574 558620562 /nfs/dbraw/zinc/62/05/62/558620562.db2.gz RZQGMVDDQYQDOA-UHFFFAOYSA-N -2 0 362.407 2.196 20 0 FEADRL Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1C(F)F ZINC000414172129 559151412 /nfs/dbraw/zinc/15/14/12/559151412.db2.gz VOKOMJHHHFFOPD-UHFFFAOYSA-N -2 0 359.354 2.474 20 0 FEADRL Cc1nn(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1C(F)F ZINC000414171331 559151567 /nfs/dbraw/zinc/15/15/67/559151567.db2.gz UMJXJHAISYUWPH-UHFFFAOYSA-N -2 0 359.354 2.094 20 0 FEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1 ZINC000416406528 559310492 /nfs/dbraw/zinc/31/04/92/559310492.db2.gz FWIVQKMDPVXSLI-SNVBAGLBSA-N -2 0 365.411 2.288 20 0 FEADRL COc1ccc(-c2n[n-]c(=NC(=O)NCCCCCC(=O)[O-])s2)cc1 ZINC000417804856 559376987 /nfs/dbraw/zinc/37/69/87/559376987.db2.gz ZFFCWMSMDXNZRL-UHFFFAOYSA-N -2 0 364.427 2.980 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)nn1C(C)C ZINC000421174897 559528839 /nfs/dbraw/zinc/52/88/39/559528839.db2.gz OWPCXDZGDCHVOI-UHFFFAOYSA-N -2 0 353.400 2.285 20 0 FEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])n1 ZINC000424248173 559659283 /nfs/dbraw/zinc/65/92/83/559659283.db2.gz IDAQQAJAVAMDAE-QLJPJBMISA-N -2 0 361.373 2.351 20 0 FEADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1C(=O)[O-] ZINC000436731040 559950199 /nfs/dbraw/zinc/95/01/99/559950199.db2.gz ZPLNJJVGKCTHEY-UHFFFAOYSA-N -2 0 365.363 2.206 20 0 FEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCc3cccc(F)c32)c1 ZINC000436895502 559955705 /nfs/dbraw/zinc/95/57/05/559955705.db2.gz VIOMWOORUGPZNY-UHFFFAOYSA-N -2 0 351.355 2.371 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(C)c1C(=O)[O-] ZINC000436993617 559959047 /nfs/dbraw/zinc/95/90/47/559959047.db2.gz FAWCKPDKMBILIM-UHFFFAOYSA-N -3 0 365.363 2.206 20 0 FEADRL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438799718 559983812 /nfs/dbraw/zinc/98/38/12/559983812.db2.gz YWJNRVNWSNJYDP-UHFFFAOYSA-N -2 0 367.358 2.076 20 0 FEADRL CCn1cnc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000439567981 559997142 /nfs/dbraw/zinc/99/71/42/559997142.db2.gz IDCPWXWDRMPLCT-UHFFFAOYSA-N -2 0 359.791 2.064 20 0 FEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(C(=O)[O-])n(-c3ccccc3)n2)C1 ZINC000449140846 560217695 /nfs/dbraw/zinc/21/76/95/560217695.db2.gz OIUHBJBBPLOHJZ-ZDUSSCGKSA-N -2 0 371.393 2.288 20 0 FEADRL Cc1cc(C(=O)Nc2cccc(-n3cccn3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468481883 560931145 /nfs/dbraw/zinc/93/11/45/560931145.db2.gz WWMYNWSHULRFBF-UHFFFAOYSA-N -2 0 362.349 2.182 20 0 FEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(-c2ccccn2)c1 ZINC000531907684 562460804 /nfs/dbraw/zinc/46/08/04/562460804.db2.gz ILFLGVIYBNRKLS-UHFFFAOYSA-N -2 0 358.379 2.075 20 0 FEADRL COC(=O)c1nscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000532045214 562465180 /nfs/dbraw/zinc/46/51/80/562465180.db2.gz KZQIQMQYSWTVDP-UHFFFAOYSA-N -2 0 370.408 2.046 20 0 FEADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000532629657 562483800 /nfs/dbraw/zinc/48/38/00/562483800.db2.gz MEALMLBIQGWZLU-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC000532874948 562491445 /nfs/dbraw/zinc/49/14/45/562491445.db2.gz QTGGTIDVGHSBIZ-CYBMUJFWSA-N -2 0 368.455 2.165 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)oc1C ZINC000533167191 562500192 /nfs/dbraw/zinc/50/01/92/562500192.db2.gz YXPGHPMBMPRAMX-UHFFFAOYSA-N -2 0 357.315 2.013 20 0 FEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000563136280 568275337 /nfs/dbraw/zinc/27/53/37/568275337.db2.gz RCYPGFVFKKVPRU-OAHLLOKOSA-N -2 0 357.428 2.340 20 0 FEADRL O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000740486987 597106003 /nfs/dbraw/zinc/10/60/03/597106003.db2.gz ZTDWJDQSBXLLSL-UHFFFAOYSA-N -2 0 371.480 2.357 20 0 FEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCCCCCC(=O)[O-] ZINC000818475652 597236107 /nfs/dbraw/zinc/23/61/07/597236107.db2.gz ODYOIRPKZZDUTP-UHFFFAOYSA-N -2 0 352.416 2.183 20 0 FEADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1 ZINC000392098527 597312748 /nfs/dbraw/zinc/31/27/48/597312748.db2.gz XWVWUBJWMLAYBY-UHFFFAOYSA-N -2 0 351.380 2.132 20 0 FEADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000326679140 599735718 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COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000326764499 553783181 /nfs/dbraw/zinc/78/31/81/553783181.db2.gz PCLIMAVHEMCUNA-UHFFFAOYSA-N -2 0 366.351 2.244 20 0 FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)c1 ZINC000512775565 561914832 /nfs/dbraw/zinc/91/48/32/561914832.db2.gz ACZZBYKCMHAOSX-UHFFFAOYSA-N -2 0 366.370 2.040 20 0 FEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512737835 561913812 /nfs/dbraw/zinc/91/38/12/561913812.db2.gz JWGHJXOKFRXASS-UHFFFAOYSA-N -2 0 354.359 2.427 20 0 FEADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)o1 ZINC000365160732 555498644 /nfs/dbraw/zinc/49/86/44/555498644.db2.gz RNFGRBZVLRCOQC-UHFFFAOYSA-N -2 0 361.379 2.488 20 0 FEADRL CN(C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000515838523 562023281 /nfs/dbraw/zinc/02/32/81/562023281.db2.gz BAQFEYUKIXOMDB-UHFFFAOYSA-N -2 0 369.424 2.341 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)cc1C(=O)[O-] ZINC000374841190 557939342 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562587456 /nfs/dbraw/zinc/58/74/56/562587456.db2.gz LMVFENVAKRGJID-UHFFFAOYSA-N -2 0 374.422 2.480 20 0 FEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c(=O)c2c1 ZINC000556045304 674386021 /nfs/dbraw/zinc/38/60/21/674386021.db2.gz QVDJVWULDVVZBU-UHFFFAOYSA-N -2 0 363.351 2.044 20 0 FEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000821539456 597411023 /nfs/dbraw/zinc/41/10/23/597411023.db2.gz XHKWTQZOHATQMK-UHFFFAOYSA-N -3 0 371.317 2.091 20 0 FEADRL O=C([O-])Cn1c(/C=C\c2cccc(C(=O)[O-])c2)nc2ccccc2c1=O ZINC000681357293 598201633 /nfs/dbraw/zinc/20/16/33/598201633.db2.gz JMUOBKLBONJQRF-HJWRWDBZSA-N -2 0 350.330 2.350 20 0 FEADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc(CC(=O)[O-])c3)n2)cc1 ZINC000820805326 598220363 /nfs/dbraw/zinc/22/03/63/598220363.db2.gz SCINKUDLLRJIFE-UHFFFAOYSA-N -2 0 367.361 2.466 20 0 FEADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000323886126 599736083 /nfs/dbraw/zinc/73/60/83/599736083.db2.gz MCHXMBMYIOYWAY-UHFFFAOYSA-N -2 0 353.352 2.345 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(Cc2ccccc2)n1 ZINC000738463655 599739941 /nfs/dbraw/zinc/73/99/41/599739941.db2.gz OJKKDXVQMQOTSE-UHFFFAOYSA-N -2 0 361.379 2.332 20 0 FEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000740115301 599799141 /nfs/dbraw/zinc/79/91/41/599799141.db2.gz QTFQFMHUKKSNDR-UHFFFAOYSA-N -2 0 374.349 2.191 20 0 FEADRL O=C([O-])COc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1 ZINC000739824436 599808631 /nfs/dbraw/zinc/80/86/31/599808631.db2.gz UZGPBDDAYDCBSS-UHFFFAOYSA-N -2 0 371.324 2.433 20 0 FEADRL Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c(O)c1 ZINC000738260249 599815888 /nfs/dbraw/zinc/81/58/88/599815888.db2.gz LHNLLULCSBNQAN-MRXNPFEDSA-N -2 0 370.405 2.153 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)sc1C(=O)[O-] ZINC000390277939 599875100 /nfs/dbraw/zinc/87/51/00/599875100.db2.gz CMIYUTZKEDJGFC-UHFFFAOYSA-N -2 0 355.393 2.327 20 0 FEADRL O=C([O-])c1n[nH]c2ccc([N-]S(=O)(=O)c3cc(F)c(F)cc3F)cc21 ZINC000740276933 599886113 /nfs/dbraw/zinc/88/61/13/599886113.db2.gz BMCSFAWEZZYUHX-UHFFFAOYSA-N -2 0 371.296 2.479 20 0 FEADRL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000737888595 599926644 /nfs/dbraw/zinc/92/66/44/599926644.db2.gz FMGRAUJBVLYCBZ-UHFFFAOYSA-N -2 0 373.333 2.238 20 0 FEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1-n1cccn1 ZINC000327574536 599965651 /nfs/dbraw/zinc/96/56/51/599965651.db2.gz FDYDFRZQKNCHJR-UHFFFAOYSA-N -2 0 358.379 2.075 20 0 FEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000738633604 600052074 /nfs/dbraw/zinc/05/20/74/600052074.db2.gz RTBWHMOEBNKKLD-UHFFFAOYSA-N -2 0 350.421 2.499 20 0 FEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cnc(C)s1 ZINC000738884811 600094042 /nfs/dbraw/zinc/09/40/42/600094042.db2.gz DLAVLTXICVYNSP-SECBINFHSA-N -2 0 370.452 2.281 20 0 FEADRL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)C(=O)[O-])c1 ZINC000548547000 600096992 /nfs/dbraw/zinc/09/69/92/600096992.db2.gz AJWAURVBWWEJJO-CYBMUJFWSA-N -2 0 369.389 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O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000740216591 599882704 /nfs/dbraw/zinc/88/27/04/599882704.db2.gz RESWXGKUGHEGPX-UHFFFAOYSA-N -2 0 356.359 2.052 20 0 FEADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000738618827 599885981 /nfs/dbraw/zinc/88/59/81/599885981.db2.gz BQHYCJYZFWQTDJ-UHFFFAOYSA-N -2 0 361.297 2.368 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccccn2)n1 ZINC000738464039 599966909 /nfs/dbraw/zinc/96/69/09/599966909.db2.gz YAHWOYWLGNVFOY-UHFFFAOYSA-N -2 0 372.406 2.383 20 0 FEADRL Cc1n[nH]cc1[C@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000736748730 599986582 /nfs/dbraw/zinc/98/65/82/599986582.db2.gz ZDUJGGUFHNHSMB-OAHLLOKOSA-N -2 0 370.365 2.041 20 0 FEADRL COC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nc1C ZINC000737718161 600054360 /nfs/dbraw/zinc/05/43/60/600054360.db2.gz ICTVMZNRBMBYOF-UHFFFAOYSA-N -2 0 370.408 2.046 20 0 FEADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)s1 ZINC000590565949 600095686 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Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000532851247 562490490 /nfs/dbraw/zinc/49/04/90/562490490.db2.gz QFQYESUVNSQQNZ-UHFFFAOYSA-N -3 0 371.317 2.470 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)sc1C(=O)[O-] ZINC000533624838 562514605 /nfs/dbraw/zinc/51/46/05/562514605.db2.gz NMZFLHCNYKVYGN-UHFFFAOYSA-N -3 0 359.356 2.393 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)o1 ZINC000533625064 562514607 /nfs/dbraw/zinc/51/46/07/562514607.db2.gz YRKVOGBWKLYAQD-UHFFFAOYSA-N -2 0 353.352 2.182 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c[nH]1 ZINC000541307254 562608509 /nfs/dbraw/zinc/60/85/09/562608509.db2.gz JNCISVDUYKGVRM-SNVBAGLBSA-N -2 0 366.395 2.180 20 0 FEADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000541806390 562620122 /nfs/dbraw/zinc/62/01/22/562620122.db2.gz MDSCTNINBOQOID-UHFFFAOYSA-N -2 0 364.354 2.209 20 0 FEADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1)C(=O)[O-] ZINC000541807965 562620153 /nfs/dbraw/zinc/62/01/53/562620153.db2.gz ZFTCZWILRMSZSR-SECBINFHSA-N -2 0 369.830 2.381 20 0 FEADRL CO[C@@H](C)c1nc(=NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s[n-]1 ZINC000549775023 562639555 /nfs/dbraw/zinc/63/95/55/562639555.db2.gz TVOZKOIGDCUXQB-QMMMGPOBSA-N -2 0 362.386 2.209 20 0 FEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nc[nH]n2)cc1 ZINC000605118602 568573425 /nfs/dbraw/zinc/57/34/25/568573425.db2.gz VWQVSKHIIJKJNH-UHFFFAOYSA-N -2 0 364.408 2.341 20 0 FEADRL CN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000818457284 597013176 /nfs/dbraw/zinc/01/31/76/597013176.db2.gz LNDDCDVANPHWEL-UHFFFAOYSA-N -2 0 357.288 2.143 20 0 FEADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000391990831 597312548 /nfs/dbraw/zinc/31/25/48/597312548.db2.gz ZOBCXYQTPMFWRY-UHFFFAOYSA-N -2 0 350.352 2.331 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)o1 ZINC000740177612 599738039 /nfs/dbraw/zinc/73/80/39/599738039.db2.gz MRTCAWYCOOQRNG-UHFFFAOYSA-N -2 0 351.315 2.103 20 0 FEADRL Cc1cccc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)c1C(=O)[O-] ZINC000738746391 599842601 /nfs/dbraw/zinc/84/26/01/599842601.db2.gz YNMKGLLETSCYQT-UHFFFAOYSA-N -2 0 361.375 2.143 20 0 FEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000738993173 599851568 /nfs/dbraw/zinc/85/15/68/599851568.db2.gz RKSXLZUMEMBWHH-UHFFFAOYSA-N -2 0 367.404 2.204 20 0 FEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(Cc2ccccn2)n1 ZINC000738277397 599907533 /nfs/dbraw/zinc/90/75/33/599907533.db2.gz WENBNJZTOMBXIV-UHFFFAOYSA-N -2 0 372.406 2.134 20 0 FEADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c(F)c1 ZINC000736165551 600054346 /nfs/dbraw/zinc/05/43/46/600054346.db2.gz PECIDTLEZPFDMF-UHFFFAOYSA-N -2 0 373.387 2.048 20 0 FEADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC000739180946 600096468 /nfs/dbraw/zinc/09/64/68/600096468.db2.gz ODRDNRCMESXMCZ-UHFFFAOYSA-N -2 0 372.761 2.077 20 0 FEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736540779 600098983 /nfs/dbraw/zinc/09/89/83/600098983.db2.gz LQCHXISTOHALKU-VIFPVBQESA-N -2 0 353.375 2.492 20 0 FEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736539981 600099225 /nfs/dbraw/zinc/09/92/25/600099225.db2.gz AHHLEJPMMBPYPM-SECBINFHSA-N -2 0 353.375 2.492 20 0 FEADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000740012285 600101746 /nfs/dbraw/zinc/10/17/46/600101746.db2.gz JIZYJFDCMWRGGW-UHFFFAOYSA-N -3 0 360.344 2.476 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc32)s1 ZINC000739223637 600202803 /nfs/dbraw/zinc/20/28/03/600202803.db2.gz RMROKMPZCJXRKT-LLVKDONJSA-N -2 0 365.432 2.371 20 0 FEADRL Cc1nc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)sc1C(=O)[O-] ZINC000738864893 600204430 /nfs/dbraw/zinc/20/44/30/600204430.db2.gz JVQJJMMDOAYIID-UHFFFAOYSA-N -2 0 358.445 2.345 20 0 FEADRL CCc1c([O-])nc(SCCCC(=O)[O-])n(-c2ccc(OC)cc2)c1=O ZINC000737251905 600274842 /nfs/dbraw/zinc/27/48/42/600274842.db2.gz ZJJOJYIQCIWUIT-UHFFFAOYSA-N -2 0 364.423 2.466 20 0 FEADRL CN(Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000737486957 600300617 /nfs/dbraw/zinc/30/06/17/600300617.db2.gz ZAJYPODDPMHRGX-UHFFFAOYSA-N -2 0 364.379 2.295 20 0 FEADRL Cc1cccc(S(=O)(=O)[N-]c2nncn2Cc2ccccc2)c1C(=O)[O-] ZINC000738746163 600473288 /nfs/dbraw/zinc/47/32/88/600473288.db2.gz FBRZBMUJPVTTRP-UHFFFAOYSA-N -2 0 372.406 2.134 20 0 FEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)c1 ZINC000174048971 600482326 /nfs/dbraw/zinc/48/23/26/600482326.db2.gz UATZDPDABSMLRO-UHFFFAOYSA-N -2 0 367.280 2.084 20 0 FEADRL CCCc1c(C(=O)[N-]S(=O)(=O)C[C@@H](C)CCC)[nH]c(C)c1C(=O)[O-] ZINC000737044225 600520035 /nfs/dbraw/zinc/52/00/35/600520035.db2.gz TXKPYOBKVWQVMX-JTQLQIEISA-N -2 0 358.460 2.470 20 0 FEADRL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1 ZINC000542724799 600670392 /nfs/dbraw/zinc/67/03/92/600670392.db2.gz YWCILSOVVZWFIV-UHFFFAOYSA-N -2 0 373.390 2.380 20 0 FEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)nn1C ZINC000738546193 600672806 /nfs/dbraw/zinc/67/28/06/600672806.db2.gz MBBYGAYARFGOAC-UHFFFAOYSA-N -2 0 372.406 2.290 20 0 FEADRL O=C([O-])COc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000833261706 600703184 /nfs/dbraw/zinc/70/31/84/600703184.db2.gz OSMCEVKONQCJAG-UHFFFAOYSA-N -2 0 353.334 2.294 20 0 FEADRL Cc1cccc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)nc21 ZINC000832973455 600828227 /nfs/dbraw/zinc/82/82/27/600828227.db2.gz BWRHZZDHBCLESE-UHFFFAOYSA-N -2 0 351.409 2.442 20 0 FEADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cn1C ZINC000829878181 600831168 /nfs/dbraw/zinc/83/11/68/600831168.db2.gz MHBKHYJSOBKPDS-UHFFFAOYSA-N -2 0 366.395 2.009 20 0 FEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000833334086 600945628 /nfs/dbraw/zinc/94/56/28/600945628.db2.gz VBNQCLDAKVHGSH-CABCVRRESA-N -2 0 351.424 2.406 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2)c(Br)c1 ZINC000020017744 600977903 /nfs/dbraw/zinc/97/79/03/600977903.db2.gz UGHKTCYZWIQWCO-UHFFFAOYSA-N -2 0 357.185 2.343 20 0 FEADRL CCN(c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1)C(C)C ZINC000326801720 600980383 /nfs/dbraw/zinc/98/03/83/600980383.db2.gz ZZQLDKSQMODNQD-UHFFFAOYSA-N -2 0 366.443 2.003 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ncccc2OC(F)F)ccc1C(=O)[O-] ZINC000832904313 600981138 /nfs/dbraw/zinc/98/11/38/600981138.db2.gz GRKPVOYBHCYESW-UHFFFAOYSA-N -2 0 358.322 2.490 20 0 FEADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000739889904 601120355 /nfs/dbraw/zinc/12/03/55/601120355.db2.gz SVRGULZCWFDPMH-UHFFFAOYSA-N -2 0 369.782 2.466 20 0 FEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)cc1F ZINC000832865094 601206989 /nfs/dbraw/zinc/20/69/89/601206989.db2.gz NTQVMYJHHSVSNU-UHFFFAOYSA-N -2 0 355.318 2.090 20 0 FEADRL Cc1ccc([C@H](CNC(=O)CSc2n[n-]c(=S)s2)C(=O)[O-])cc1 ZINC000832923310 601284065 /nfs/dbraw/zinc/28/40/65/601284065.db2.gz XRPLXAMLOFTPIM-JTQLQIEISA-N -2 0 369.493 2.212 20 0 FEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)c1C(=O)[O-] ZINC000832972837 601331847 /nfs/dbraw/zinc/33/18/47/601331847.db2.gz JWJDSXYSNIBSGT-UHFFFAOYSA-N -3 0 355.393 2.183 20 0 FEADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1C ZINC000831327384 601334491 /nfs/dbraw/zinc/33/44/91/601334491.db2.gz KDPIKKDKXIHCKA-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1F ZINC000832419650 601383808 /nfs/dbraw/zinc/38/38/08/601383808.db2.gz VSSOXPJKVACJBN-UHFFFAOYSA-N -2 0 360.750 2.382 20 0 FEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000833345798 601484350 /nfs/dbraw/zinc/48/43/50/601484350.db2.gz GHKVOYYGNNSEFX-UHFFFAOYSA-N -2 0 354.409 2.431 20 0 FEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000829208560 601500493 /nfs/dbraw/zinc/50/04/93/601500493.db2.gz LNEIMSJKQPNAPU-LLVKDONJSA-N -2 0 371.455 2.263 20 0 FEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000833348555 601598325 /nfs/dbraw/zinc/59/83/25/601598325.db2.gz ZODLADDPFVYRKC-RYUDHWBXSA-N -2 0 365.432 2.130 20 0 FEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000833346616 601603149 /nfs/dbraw/zinc/60/31/49/601603149.db2.gz LXMVUPYCDGYOBG-UHFFFAOYSA-N -2 0 353.356 2.329 20 0 FEADRL Cc1nc(CS(=O)(=O)C=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)sc1C ZINC000833000174 601767033 /nfs/dbraw/zinc/76/70/33/601767033.db2.gz CASVLZADGYPZJE-UHFFFAOYSA-N -2 0 370.452 2.201 20 0 FEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000833345559 601769284 /nfs/dbraw/zinc/76/92/84/601769284.db2.gz DEQIBKZCOIPTKZ-UHFFFAOYSA-N -2 0 368.421 2.161 20 0 FEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000826924615 601771070 /nfs/dbraw/zinc/77/10/70/601771070.db2.gz LKXAOWOKMPAYNW-UHFFFAOYSA-N -2 0 372.472 2.204 20 0 FEADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000827134193 601837456 /nfs/dbraw/zinc/83/74/56/601837456.db2.gz JIGFEIPTOFLVFB-UHFFFAOYSA-N -3 0 370.408 2.464 20 0 FEADRL CN(C(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000830542930 601978743 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Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1C(=O)[O-] ZINC000833029057 601231409 /nfs/dbraw/zinc/23/14/09/601231409.db2.gz AGSWJZYIEWQZPQ-UHFFFAOYSA-N -2 0 368.392 2.131 20 0 FEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(OC)c1OC ZINC000832413167 601233718 /nfs/dbraw/zinc/23/37/18/601233718.db2.gz HFSLTVOASLFAEH-UHFFFAOYSA-N -2 0 371.367 2.113 20 0 FEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000319573385 601321355 /nfs/dbraw/zinc/32/13/55/601321355.db2.gz HLRNCHYFDPDVHN-UHFFFAOYSA-N -3 0 359.356 2.013 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])ccc1F ZINC000060471986 601322993 /nfs/dbraw/zinc/32/29/93/601322993.db2.gz BJJAOGCIBXQYIH-UHFFFAOYSA-N -2 0 357.290 2.162 20 0 FEADRL COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000609494462 601330927 /nfs/dbraw/zinc/33/09/27/601330927.db2.gz KNOIZKGOQUDDLQ-UHFFFAOYSA-N -2 0 366.395 2.226 20 0 FEADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)C1 ZINC000833184051 601364876 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366.786 2.190 20 0 FEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)c1C(=O)[O-] ZINC000832972701 604772569 /nfs/dbraw/zinc/77/25/69/604772569.db2.gz KYMGUVPNPYPSFW-UHFFFAOYSA-N -2 0 358.379 2.279 20 0 FEADRL C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000825326178 604773366 /nfs/dbraw/zinc/77/33/66/604773366.db2.gz NIHACQROZBRBQK-RDDDGLTNSA-N -2 0 363.197 2.196 20 0 FEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000160278925 604792381 /nfs/dbraw/zinc/79/23/81/604792381.db2.gz XUHAIHAIUVXQAW-UHFFFAOYSA-N -2 0 367.280 2.084 20 0 FEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(Br)n1 ZINC000832952829 604798620 /nfs/dbraw/zinc/79/86/20/604798620.db2.gz CITHYHWZWVZEDN-UHFFFAOYSA-N -2 0 361.173 2.245 20 0 FEADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C)o1 ZINC000832907255 604809204 /nfs/dbraw/zinc/80/92/04/604809204.db2.gz NYQXSMKCIZIIDF-UHFFFAOYSA-N -2 0 351.340 2.379 20 0 FEADRL O=C([O-])N[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccsc1)c1ccccc1 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FEADRL COCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000515629974 562017683 /nfs/dbraw/zinc/01/76/83/562017683.db2.gz MQKVFGVWFPGEOA-UHFFFAOYSA-N -2 0 365.363 2.030 20 0 FEADRL O=C([O-])C1CCC(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000519118887 562125409 /nfs/dbraw/zinc/12/54/09/562125409.db2.gz NWXLBFDTNHYJBV-UHFFFAOYSA-N -2 0 352.441 2.453 20 0 FEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])o1 ZINC000521105393 562169793 /nfs/dbraw/zinc/16/97/93/562169793.db2.gz NKRHKIWQVKYVGY-UHFFFAOYSA-N -2 0 364.335 2.047 20 0 FEADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000391820642 558615141 /nfs/dbraw/zinc/61/51/41/558615141.db2.gz LHLMFQZQAJOZBD-UHFFFAOYSA-N -2 0 352.343 2.283 20 0 FEADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000525312030 562245977 /nfs/dbraw/zinc/24/59/77/562245977.db2.gz KFBDIFWOHQJOHP-UHFFFAOYSA-N -2 0 353.400 2.285 20 0 FEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(F)c1 ZINC000526997760 562272558 /nfs/dbraw/zinc/27/25/58/562272558.db2.gz VRESDNRIHPSXHA-UHFFFAOYSA-N -2 0 367.354 2.040 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)nn1C(C)C ZINC000421176405 559529046 /nfs/dbraw/zinc/52/90/46/559529046.db2.gz RZEXPZCBQLHBIT-UHFFFAOYSA-N -2 0 367.427 2.345 20 0 FEADRL COc1cccc(-c2nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]2)c1 ZINC000424384396 559662465 /nfs/dbraw/zinc/66/24/65/559662465.db2.gz RMGTURZHJXFVJR-UHFFFAOYSA-N -2 0 364.427 2.258 20 0 FEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000433818326 559888395 /nfs/dbraw/zinc/88/83/95/559888395.db2.gz LBPSDGOBULRXRO-UHFFFAOYSA-N -2 0 351.380 2.137 20 0 FEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1OC ZINC000435718429 559928690 /nfs/dbraw/zinc/92/86/90/559928690.db2.gz WVXAHCGGDRDRJP-UHFFFAOYSA-N -2 0 365.407 2.440 20 0 FEADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000436480116 559942654 /nfs/dbraw/zinc/94/26/54/559942654.db2.gz YWOSDTWUJILRTM-UHFFFAOYSA-N -2 0 361.379 2.461 20 0 FEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436679405 559948510 /nfs/dbraw/zinc/94/85/10/559948510.db2.gz KCHGQDYDLMDCSA-UHFFFAOYSA-N -2 0 352.368 2.373 20 0 FEADRL CCn1nc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1C1CC1 ZINC000436778593 559951699 /nfs/dbraw/zinc/95/16/99/559951699.db2.gz RPIZFCITWLZQOM-UHFFFAOYSA-N -2 0 365.411 2.293 20 0 FEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000438759520 559983270 /nfs/dbraw/zinc/98/32/70/559983270.db2.gz YRFQYZQMGAKMPA-UHFFFAOYSA-N -2 0 368.798 2.246 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1C(=O)[O-] ZINC000439246789 559990716 /nfs/dbraw/zinc/99/07/16/559990716.db2.gz MGCPXIVXFPFVPZ-UHFFFAOYSA-N -2 0 364.408 2.043 20 0 FEADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000444421476 560113422 /nfs/dbraw/zinc/11/34/22/560113422.db2.gz GIPZOLONVRLPLQ-UHFFFAOYSA-N -2 0 360.395 2.223 20 0 FEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000444423605 560113432 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0 FEADRL CC1(c2nc(=NC(=O)c3nn(-c4cccc(F)c4)cc3[O-])s[n-]2)CC1 ZINC000529698258 562381365 /nfs/dbraw/zinc/38/13/65/562381365.db2.gz UUJOJCHHTIOGJC-UHFFFAOYSA-N -2 0 359.386 2.294 20 0 FEADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000531600295 562451193 /nfs/dbraw/zinc/45/11/93/562451193.db2.gz KQJBGQAFNNFJFE-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000531854215 562458912 /nfs/dbraw/zinc/45/89/12/562458912.db2.gz MOOAUTUMGPNBSI-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC000532648207 562484430 /nfs/dbraw/zinc/48/44/30/562484430.db2.gz WROKUQUORACBIO-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc1C(=O)[O-] ZINC000534057468 562524336 /nfs/dbraw/zinc/52/43/36/562524336.db2.gz KPKCZNKXFBVTFK-UHFFFAOYSA-N -2 0 363.317 2.490 20 0 FEADRL Cc1ncc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000534973574 562546477 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O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000739919656 599739488 /nfs/dbraw/zinc/73/94/88/599739488.db2.gz FDTPCJNHFQACET-UHFFFAOYSA-N -2 0 356.212 2.137 20 0 FEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccc3ncccc32)s1 ZINC000740115310 599801453 /nfs/dbraw/zinc/80/14/53/599801453.db2.gz RKKBPGIRQFCEFZ-UHFFFAOYSA-N -2 0 362.388 2.113 20 0 FEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1C(=O)[O-] ZINC000738462710 599869037 /nfs/dbraw/zinc/86/90/37/599869037.db2.gz SXYMTLGHSVTRCC-UHFFFAOYSA-N -3 0 353.352 2.402 20 0 FEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000739880144 599924319 /nfs/dbraw/zinc/92/43/19/599924319.db2.gz UQVQZVKTZGPUJM-UHFFFAOYSA-N -2 0 371.827 2.477 20 0 FEADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000728266154 599925620 /nfs/dbraw/zinc/92/56/20/599925620.db2.gz PTZHYVZSHPCEQZ-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C(=O)[O-])s1 ZINC000737680261 599925979 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FEADRL CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000736223744 600203144 /nfs/dbraw/zinc/20/31/44/600203144.db2.gz LXJJFTJODILPIX-UHFFFAOYSA-N -2 0 367.448 2.370 20 0 FEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2nccc3ccccc32)c1 ZINC000740235963 600242926 /nfs/dbraw/zinc/24/29/26/600242926.db2.gz WGJQTJSLKHIKAZ-UHFFFAOYSA-N -2 0 356.359 2.052 20 0 FEADRL CSCc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738194594 600463362 /nfs/dbraw/zinc/46/33/62/600463362.db2.gz HLFCTLGZWAXPJI-UHFFFAOYSA-N -2 0 371.436 2.220 20 0 FEADRL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1C ZINC000391735374 600514421 /nfs/dbraw/zinc/51/44/21/600514421.db2.gz QYINXDNZCIFKHE-UHFFFAOYSA-N -2 0 351.340 2.106 20 0 FEADRL Cc1nn2c(SCc3c4ccccc4sc3C(=O)[O-])n[n-]c2nc1=O ZINC000738928461 600552093 /nfs/dbraw/zinc/55/20/93/600552093.db2.gz TYIQSMIPYNQJAF-UHFFFAOYSA-N -2 0 373.419 2.326 20 0 FEADRL COc1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C(=O)[O-] ZINC000738008810 600567062 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Cn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1C1CC1 ZINC000290606828 552505622 /nfs/dbraw/zinc/50/56/22/552505622.db2.gz ZUCLYRBGGVZWIM-UHFFFAOYSA-N -2 0 357.338 2.075 20 0 FEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000291209872 552600879 /nfs/dbraw/zinc/60/08/79/552600879.db2.gz VIOBLYSMDLWPJB-UHFFFAOYSA-N -2 0 353.375 2.244 20 0 FEADRL Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cnn1C ZINC000291857188 552669020 /nfs/dbraw/zinc/66/90/20/552669020.db2.gz GFPYPPFDZQQKHI-UHFFFAOYSA-N -2 0 353.400 2.015 20 0 FEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000502902356 561629370 /nfs/dbraw/zinc/62/93/70/561629370.db2.gz HNEOZEYPYMKQDJ-UHFFFAOYSA-N -2 0 359.743 2.219 20 0 FEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504703060 561661509 /nfs/dbraw/zinc/66/15/09/561661509.db2.gz MCJVXGIWQASKGH-NSHDSACASA-N -2 0 369.468 2.403 20 0 FEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(F)c(F)cc3C(=O)[O-])cc12 ZINC000504979685 561664949 /nfs/dbraw/zinc/66/49/49/561664949.db2.gz QFVDKTUVEFKVDZ-UHFFFAOYSA-N -2 0 369.305 2.308 20 0 FEADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000319991134 553764247 /nfs/dbraw/zinc/76/42/47/553764247.db2.gz GKKRMXADSKDNLL-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000320786975 553765707 /nfs/dbraw/zinc/76/57/07/553765707.db2.gz WDXTXDCKQBODPJ-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)ccc1C(=O)[O-] ZINC000507886788 561744601 /nfs/dbraw/zinc/74/46/01/561744601.db2.gz IDPQZNVUVKQQKI-UHFFFAOYSA-N -2 0 372.406 2.134 20 0 FEADRL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1 ZINC000507889885 561744842 /nfs/dbraw/zinc/74/48/42/561744842.db2.gz PKFUXFVLTKQZTL-UHFFFAOYSA-N -2 0 373.419 2.383 20 0 FEADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)n1 ZINC000362377759 554967556 /nfs/dbraw/zinc/96/75/56/554967556.db2.gz ZRODIGTZYWJREF-UHFFFAOYSA-N -2 0 372.406 2.290 20 0 FEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)c1 ZINC000363064123 555022308 /nfs/dbraw/zinc/02/23/08/555022308.db2.gz SRFVTVJMIVDNRI-UHFFFAOYSA-N -2 0 350.381 2.032 20 0 FEADRL Cc1n[n-]c(=NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])n1C1CC1 ZINC000614612262 555079644 /nfs/dbraw/zinc/07/96/44/555079644.db2.gz UCOHRTLPWMITBW-UHFFFAOYSA-N -2 0 360.324 2.343 20 0 FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000512776166 561914837 /nfs/dbraw/zinc/91/48/37/561914837.db2.gz JOCVZUBPFHHXNO-UHFFFAOYSA-N -2 0 353.371 2.434 20 0 FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1 ZINC000512751672 561914205 /nfs/dbraw/zinc/91/42/05/561914205.db2.gz CMUIICNLHWJGIO-UHFFFAOYSA-N -2 0 367.358 2.124 20 0 FEADRL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000513815157 561950832 /nfs/dbraw/zinc/95/08/32/561950832.db2.gz OFZFTJZNASBHTE-UHFFFAOYSA-N -2 0 364.335 2.047 20 0 FEADRL Cc1cn(-c2cccnc2)nc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000371687214 557262993 /nfs/dbraw/zinc/26/29/93/557262993.db2.gz XVHCIVVBPUDQCF-UHFFFAOYSA-N -2 0 372.406 2.004 20 0 FEADRL CN1Cc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2NC1=O ZINC000375405679 558021847 /nfs/dbraw/zinc/02/18/47/558021847.db2.gz TZBZMVKHHDXYBL-UHFFFAOYSA-N -2 0 367.408 2.224 20 0 FEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cn1 ZINC000384225700 558605128 /nfs/dbraw/zinc/60/51/28/558605128.db2.gz VCWYFXSNWHJTJX-UHFFFAOYSA-N -2 0 372.200 2.047 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)sc1C(=O)[O-] ZINC000523727142 562218685 /nfs/dbraw/zinc/21/86/85/562218685.db2.gz DIBTYPIWIVPEOB-QFIPXVFZSA-N -2 0 373.477 2.434 20 0 FEADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000414381784 559160012 /nfs/dbraw/zinc/16/00/12/559160012.db2.gz MYEWEFPHWPJGOV-UHFFFAOYSA-N -2 0 371.333 2.450 20 0 FEADRL COc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c(C(=O)[O-])c1 ZINC000416408895 559310773 /nfs/dbraw/zinc/31/07/73/559310773.db2.gz SKWOJKIWGHZMDU-JTQLQIEISA-N -2 0 365.411 2.288 20 0 FEADRL CC(C)(C)c1nc(=N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)s[n-]1 ZINC000416443008 559313012 /nfs/dbraw/zinc/31/30/12/559313012.db2.gz GFYBPNHDGPRXEF-CHWSQXEVSA-N -2 0 374.466 2.096 20 0 FEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1OC ZINC000433499114 559883170 /nfs/dbraw/zinc/88/31/70/559883170.db2.gz BPWQEROFZHIQMJ-UHFFFAOYSA-N -2 0 367.379 2.299 20 0 FEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(=O)N(C)C ZINC000433517860 559883393 /nfs/dbraw/zinc/88/33/93/559883393.db2.gz SCMPRPCJUAGRJN-UHFFFAOYSA-N -2 0 368.436 2.257 20 0 FEADRL C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2ccc(F)cc2O1 ZINC000433518266 559883481 /nfs/dbraw/zinc/88/34/81/559883481.db2.gz TZGMVSYKBDCEMC-VIFPVBQESA-N -2 0 367.354 2.206 20 0 FEADRL CCN(c1ccccc1OC)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433526571 559883668 /nfs/dbraw/zinc/88/36/68/559883668.db2.gz BGVZIGBFCVPOJQ-UHFFFAOYSA-N -2 0 351.380 2.314 20 0 FEADRL O=S(=O)([N-]c1cnn(Cc2ccncc2)c1)c1cccc(Cl)c1[O-] ZINC000436477342 559942420 /nfs/dbraw/zinc/94/24/20/559942420.db2.gz MDMQGBZLZDLTMF-UHFFFAOYSA-N -2 0 364.814 2.486 20 0 FEADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000442823673 560058341 /nfs/dbraw/zinc/05/83/41/560058341.db2.gz DPJLKEZMDGQDGI-UHFFFAOYSA-N -2 0 373.383 2.481 20 0 FEADRL CCn1ncc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc21 ZINC000468680022 560936048 /nfs/dbraw/zinc/93/60/48/560936048.db2.gz BEUAAGQJIGBNLX-UHFFFAOYSA-N -2 0 364.365 2.366 20 0 FEADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000471954335 561014913 /nfs/dbraw/zinc/01/49/13/561014913.db2.gz MMTBTCUUQMETGC-UHFFFAOYSA-N -2 0 374.216 2.165 20 0 FEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(=O)[O-] ZINC000532025042 562464521 /nfs/dbraw/zinc/46/45/21/562464521.db2.gz ROJOZRLYBXAUFU-UHFFFAOYSA-N -3 0 359.356 2.393 20 0 FEADRL O=C([O-])Cn1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])nn1 ZINC000533951331 562522179 /nfs/dbraw/zinc/52/21/79/562522179.db2.gz ISVXQRURRUHKGY-JXMROGBWSA-N -2 0 350.334 2.096 20 0 FEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000534882596 562544581 /nfs/dbraw/zinc/54/45/81/562544581.db2.gz DGQPHFKEEWDMOY-UHFFFAOYSA-N -2 0 373.383 2.481 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c(F)c1 ZINC000535506692 562560022 /nfs/dbraw/zinc/56/00/22/562560022.db2.gz FSJHOZSGTDNKRN-UHFFFAOYSA-N -2 0 353.253 2.067 20 0 FEADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000545828265 562630880 /nfs/dbraw/zinc/63/08/80/562630880.db2.gz WXOHUIHEXPYROD-UHFFFAOYSA-N -2 0 367.354 2.040 20 0 FEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000819626434 597313598 /nfs/dbraw/zinc/31/35/98/597313598.db2.gz UFRZYFAAWUKJKR-UHFFFAOYSA-N -2 0 371.418 2.359 20 0 FEADRL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1F ZINC000737641872 599739616 /nfs/dbraw/zinc/73/96/16/599739616.db2.gz HZZKWAPOEILVAP-UHFFFAOYSA-N -2 0 358.303 2.096 20 0 FEADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000737718404 599814877 /nfs/dbraw/zinc/81/48/77/599814877.db2.gz RNKSOPQOFMSFMC-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000736374365 599883543 /nfs/dbraw/zinc/88/35/43/599883543.db2.gz JGRFCFSXMVKSDA-SNVBAGLBSA-N -2 0 369.226 2.091 20 0 FEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1 ZINC000588834860 599981608 /nfs/dbraw/zinc/98/16/08/599981608.db2.gz YLUJSTMIJGJMQU-UHFFFAOYSA-N -2 0 351.365 2.297 20 0 FEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1F ZINC000736217673 599982011 /nfs/dbraw/zinc/98/20/11/599982011.db2.gz ZZECGSXWIMHSIA-SNVBAGLBSA-N -2 0 351.355 2.133 20 0 FEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738872697 599983189 /nfs/dbraw/zinc/98/31/89/599983189.db2.gz LOIRLRZIVIWAIL-UHFFFAOYSA-N -2 0 373.344 2.462 20 0 FEADRL COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1Cl ZINC000386944865 600053030 /nfs/dbraw/zinc/05/30/30/600053030.db2.gz QLPOHOBDHPMZSN-UHFFFAOYSA-N -2 0 362.816 2.233 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]NC(=O)CCC2CCCCC2)cc1 ZINC000066588573 600102349 /nfs/dbraw/zinc/10/23/49/600102349.db2.gz WZJXOQOYBKTZGG-UHFFFAOYSA-N -2 0 354.428 2.055 20 0 FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1C(=O)[O-] ZINC000738829988 600229830 /nfs/dbraw/zinc/22/98/30/600229830.db2.gz XWTBLQJSRMGYEB-UHFFFAOYSA-N -2 0 365.289 2.116 20 0 FEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(CSCCC(=O)[O-])c1 ZINC000738249525 600234837 /nfs/dbraw/zinc/23/48/37/600234837.db2.gz VRBYLTLMBPSYGJ-UHFFFAOYSA-N -2 0 355.441 2.227 20 0 FEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)c2nccc3ccccc32)cc1 ZINC000740134885 600242218 /nfs/dbraw/zinc/24/22/18/600242218.db2.gz IDKGFSJDAWIVCU-UHFFFAOYSA-N -2 0 370.386 2.193 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(C(=O)[O-])[nH]1 ZINC000738461526 600255897 /nfs/dbraw/zinc/25/58/97/600255897.db2.gz GOGJKLVWUOJSEM-UHFFFAOYSA-N -2 0 360.804 2.185 20 0 FEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cc3occc3s2)c1 ZINC000740235537 600352912 /nfs/dbraw/zinc/35/29/12/600352912.db2.gz CWYFNLMVACGAMK-UHFFFAOYSA-N -2 0 351.361 2.311 20 0 FEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738824495 600489369 /nfs/dbraw/zinc/48/93/69/600489369.db2.gz YPRVRSGACHCENY-UHFFFAOYSA-N -2 0 353.400 2.071 20 0 FEADRL COC(=O)c1ccncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737713062 600514806 /nfs/dbraw/zinc/51/48/06/600514806.db2.gz QURGEKMFHCFIRZ-UHFFFAOYSA-N -2 0 370.770 2.021 20 0 FEADRL CC(=O)NCc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000736155510 600565103 /nfs/dbraw/zinc/56/51/03/600565103.db2.gz GRVGMNZDXFYGQW-UHFFFAOYSA-N -2 0 366.395 2.032 20 0 FEADRL O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)cc1 ZINC000739886639 600647423 /nfs/dbraw/zinc/64/74/23/600647423.db2.gz QEDPGBHVDPMKNC-UHFFFAOYSA-N -2 0 357.391 2.300 20 0 FEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833003908 600660636 /nfs/dbraw/zinc/66/06/36/600660636.db2.gz BKUVRCGFNGHBGP-QGZVFWFLSA-N -2 0 373.340 2.102 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c[nH]1 ZINC000726931083 600677701 /nfs/dbraw/zinc/67/77/01/600677701.db2.gz MJAUBFHDMUQZTD-UHFFFAOYSA-N -3 0 360.347 2.365 20 0 FEADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC000831327708 600689568 /nfs/dbraw/zinc/68/95/68/600689568.db2.gz LIPSJIOQMLBSEW-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cc1C(=O)[O-] ZINC000326918778 600827119 /nfs/dbraw/zinc/82/71/19/600827119.db2.gz QSGXHMFLOATERD-UHFFFAOYSA-N -2 0 361.423 2.489 20 0 FEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(O)c1 ZINC000833297912 600867449 /nfs/dbraw/zinc/86/74/49/600867449.db2.gz XWQSTEUVLMHFMQ-UHFFFAOYSA-N -3 0 371.754 2.243 20 0 FEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1cccc(F)c1 ZINC000826008144 600937543 /nfs/dbraw/zinc/93/75/43/600937543.db2.gz DLGHZLUPWDBUIX-QMMMGPOBSA-N -2 0 357.384 2.194 20 0 FEADRL Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2)cs1 ZINC000832991948 600947180 /nfs/dbraw/zinc/94/71/80/600947180.db2.gz YDPDCEDWFNBCAQ-UHFFFAOYSA-N -2 0 368.436 2.043 20 0 FEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000737312132 601051361 /nfs/dbraw/zinc/05/13/61/601051361.db2.gz MBAUZBPKGCVBTK-UHFFFAOYSA-N -2 0 367.427 2.174 20 0 FEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1C(=O)[O-] ZINC000833029356 601230733 /nfs/dbraw/zinc/23/07/33/601230733.db2.gz GZCAIROONZOFMQ-UHFFFAOYSA-N -2 0 365.342 2.412 20 0 FEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000326777468 601317043 /nfs/dbraw/zinc/31/70/43/601317043.db2.gz SQYMDLSAJYBBBM-FLIBITNWSA-N -2 0 361.375 2.372 20 0 FEADRL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000743266033 601334254 /nfs/dbraw/zinc/33/42/54/601334254.db2.gz AURGFVSIGVKGGT-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000832208836 601361737 /nfs/dbraw/zinc/36/17/37/601361737.db2.gz XHSCXLSZIBXVDZ-UHFFFAOYSA-N -2 0 373.390 2.380 20 0 FEADRL CCn1c(=O)c2ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc2[n-]c1=S ZINC000830412056 601461553 /nfs/dbraw/zinc/46/15/53/601461553.db2.gz KYHGXEFWHYYTPJ-KRWDZBQOSA-N -2 0 363.439 2.078 20 0 FEADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833195502 601479471 /nfs/dbraw/zinc/47/94/71/601479471.db2.gz GLACJNVBGNZECX-LLVKDONJSA-N -2 0 367.477 2.130 20 0 FEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000833344799 601485371 /nfs/dbraw/zinc/48/53/71/601485371.db2.gz ANHHMJRBEXANSE-UHFFFAOYSA-N -2 0 368.314 2.383 20 0 FEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000833344797 601488150 /nfs/dbraw/zinc/48/81/50/601488150.db2.gz AMIYWUDTOFGYQO-UHFFFAOYSA-N -2 0 350.381 2.032 20 0 FEADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000828869611 601502057 /nfs/dbraw/zinc/50/20/57/601502057.db2.gz BGBIRYUSTAZXEN-UHFFFAOYSA-N -2 0 358.445 2.279 20 0 FEADRL O=C([O-])COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000833258262 601757370 /nfs/dbraw/zinc/75/73/70/601757370.db2.gz FBAJMUODKRZZBN-UHFFFAOYSA-N -2 0 371.324 2.433 20 0 FEADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832965841 601827706 /nfs/dbraw/zinc/82/77/06/601827706.db2.gz YGMSEHYGIVACJI-UHFFFAOYSA-N -2 0 368.798 2.246 20 0 FEADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000833344710 601836231 /nfs/dbraw/zinc/83/62/31/601836231.db2.gz GTYSLOJKGXSUOQ-UHFFFAOYSA-N -2 0 364.770 2.177 20 0 FEADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2)no1 ZINC000832991186 601837775 /nfs/dbraw/zinc/83/77/75/601837775.db2.gz CHEREJXUFNLHBY-UHFFFAOYSA-N -2 0 366.380 2.001 20 0 FEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832919196 601854728 /nfs/dbraw/zinc/85/47/28/601854728.db2.gz YXHBKSKXRAKZTN-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])s1 ZINC000831226459 601856230 /nfs/dbraw/zinc/85/62/30/601856230.db2.gz MIELSLRNZONDIE-UHFFFAOYSA-N -2 0 373.383 2.481 20 0 FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000571469984 601857602 /nfs/dbraw/zinc/85/76/02/601857602.db2.gz XODBIVPGRWORMO-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761749447 601878181 /nfs/dbraw/zinc/87/81/81/601878181.db2.gz VNYNBAOXXVNHFP-UHFFFAOYSA-N -2 0 370.333 2.287 20 0 FEADRL O=C(/C=C\SCc1ccco1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833093470 601973215 /nfs/dbraw/zinc/97/32/15/601973215.db2.gz XVOQRKJLQVUPDW-ALCCZGGFSA-N -2 0 373.433 2.291 20 0 FEADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000832888044 602011245 /nfs/dbraw/zinc/01/12/45/602011245.db2.gz OMFQQLMPHSRZKW-UHFFFAOYSA-N -2 0 352.343 2.343 20 0 FEADRL CC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000827976200 602254370 /nfs/dbraw/zinc/25/43/70/602254370.db2.gz OHTGPERKUQXJAJ-UHFFFAOYSA-N -2 0 351.302 2.009 20 0 FEADRL O=C([O-])[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccccc1 ZINC000833124740 602299772 /nfs/dbraw/zinc/29/97/72/602299772.db2.gz NLEHWULJMMRPND-OAHLLOKOSA-N -2 0 355.325 2.273 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)o1 ZINC000833323323 602307299 /nfs/dbraw/zinc/30/72/99/602307299.db2.gz CGZPOZINAUICQC-UHFFFAOYSA-N -2 0 361.379 2.287 20 0 FEADRL CN(C(=O)[O-])C1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000737933895 602548622 /nfs/dbraw/zinc/54/86/22/602548622.db2.gz OZKKXFKKEUQVHY-UHFFFAOYSA-N -2 0 357.204 2.369 20 0 FEADRL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000738810345 602567448 /nfs/dbraw/zinc/56/74/48/602567448.db2.gz JECWGVSEZZEKHZ-SECBINFHSA-N -2 0 354.350 2.065 20 0 FEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCN(C(=O)[O-])CC3)n2)c1 ZINC000737648041 603313682 /nfs/dbraw/zinc/31/36/82/603313682.db2.gz VKEMREPZMHKFQG-UHFFFAOYSA-N -2 0 358.398 2.137 20 0 FEADRL O=C([O-])Nc1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c(Cl)c1 ZINC000832838996 603487352 /nfs/dbraw/zinc/48/73/52/603487352.db2.gz OQHCBWYYXVYPJM-UHFFFAOYSA-N -2 0 360.697 2.052 20 0 FEADRL Cc1ccc(-n2[n-]c(C(=O)N3CCCC[C@@H]3[C@H](C)NC(=O)[O-])cc2=O)cc1 ZINC000830164624 603720354 /nfs/dbraw/zinc/72/03/54/603720354.db2.gz BUZDXIPAWOXBAQ-XJKSGUPXSA-N -2 0 372.425 2.125 20 0 FEADRL O=C([O-])Nc1ccc(CCNC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000832840725 604158385 /nfs/dbraw/zinc/15/83/85/604158385.db2.gz CGCQUDKMQDHCPU-MRXNPFEDSA-N -2 0 352.412 2.033 20 0 FEADRL O=C([O-])NC[C@H](C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000832408402 604211646 /nfs/dbraw/zinc/21/16/46/604211646.db2.gz QSLUQOOCXZRBSN-PCUGXKRQSA-N -2 0 374.418 2.155 20 0 FEADRL COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(NC(=O)[O-])c2)c1 ZINC000829575527 604247553 /nfs/dbraw/zinc/24/75/53/604247553.db2.gz KEYBFVUXIQQQGW-UHFFFAOYSA-N -2 0 364.379 2.212 20 0 FEADRL C[C@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824696369 604330569 /nfs/dbraw/zinc/33/05/69/604330569.db2.gz RRZPUKPICOAQEP-DGCLKSJQSA-N -2 0 374.397 2.385 20 0 FEADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)C1CCN(C(=O)[O-])CC1 ZINC000830592436 604383711 /nfs/dbraw/zinc/38/37/11/604383711.db2.gz YGFGNRVJDOFDMB-CYBMUJFWSA-N -2 0 368.455 2.216 20 0 FEADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824678240 604394171 /nfs/dbraw/zinc/39/41/71/604394171.db2.gz AAHLLHXAHBMCRF-NEPJUHHUSA-N -2 0 372.418 2.047 20 0 FEADRL CCC(CC)n1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000828869689 604431331 /nfs/dbraw/zinc/43/13/31/604431331.db2.gz FINIQRGLPVWZDC-UHFFFAOYSA-N -2 0 371.440 2.123 20 0 FEADRL CCN(Cc1ccccc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-] ZINC000827186806 604644142 /nfs/dbraw/zinc/64/41/42/604644142.db2.gz GBHSFMDNBHTOBU-UHFFFAOYSA-N -2 0 372.834 2.374 20 0 FEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)[nH]n1 ZINC000833318256 604708914 /nfs/dbraw/zinc/70/89/14/604708914.db2.gz LGHXATFJBKIZGW-UHFFFAOYSA-N -2 0 362.342 2.110 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)s1 ZINC000832903239 604883578 /nfs/dbraw/zinc/88/35/78/604883578.db2.gz UOIXTIFOGSKVCJ-UHFFFAOYSA-N -2 0 357.384 2.321 20 0 FEADRL C[C@H](CC(=O)[N-]S(=O)(=O)CC1CCCCC1)C1CCN(C(=O)[O-])CC1 ZINC000824680611 605068092 /nfs/dbraw/zinc/06/80/92/605068092.db2.gz XKLJZQCBJAIIBG-CYBMUJFWSA-N -2 0 374.503 2.429 20 0 FEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000833741267 605124776 /nfs/dbraw/zinc/12/47/76/605124776.db2.gz FCOBOAVGJGPTRI-UHFFFAOYSA-N -3 0 359.356 2.393 20 0 FEADRL CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2O)C1 ZINC000738718112 605158007 /nfs/dbraw/zinc/15/80/07/605158007.db2.gz VAIZJLDRLFJMAA-NSHDSACASA-N -2 0 365.386 2.221 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2ncn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833751157 605171853 /nfs/dbraw/zinc/17/18/53/605171853.db2.gz PQIIQSSRBFNIIN-UHFFFAOYSA-N -2 0 358.379 2.075 20 0 FEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2c3ccccc3CCN2C(=O)[O-])C1 ZINC000834059392 605306973 /nfs/dbraw/zinc/30/69/73/605306973.db2.gz JPKWGLMMTRJVIQ-GUYCJALGSA-N -2 0 360.410 2.367 20 0 FEADRL COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000829574902 605348941 /nfs/dbraw/zinc/34/89/41/605348941.db2.gz DOUAGIICJKHWKY-UHFFFAOYSA-N -2 0 364.379 2.212 20 0 FEADRL O=C([O-])N1CC[C@@H](N(C(=O)c2nn(-c3ccccc3F)cc2[O-])C2CC2)C1 ZINC000831941894 605464972 /nfs/dbraw/zinc/46/49/72/605464972.db2.gz JFUWURBAGLVART-GFCCVEGCSA-N -2 0 374.372 2.074 20 0 FEADRL Cc1ccc(C[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000833748798 605494780 /nfs/dbraw/zinc/49/47/80/605494780.db2.gz TZVGXBJIAVLDIV-LLVKDONJSA-N -2 0 367.448 2.438 20 0 FEADRL O=C([O-])NCCOCC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000834242271 605717769 /nfs/dbraw/zinc/71/77/69/605717769.db2.gz FAFZSHJHXAXZNS-UHFFFAOYSA-N -2 0 367.583 2.031 20 0 FEADRL O=C([O-])N[C@H](CCC(=O)[N-]S(=O)(=O)CC1CCC1)c1ccccc1 ZINC000834138021 606029947 /nfs/dbraw/zinc/02/99/47/606029947.db2.gz RLEBFGTWRMKFPA-CQSZACIVSA-N -2 0 354.428 2.022 20 0 FEADRL C[C@@]1(NC(=O)[O-])CCCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000833831690 606031398 /nfs/dbraw/zinc/03/13/98/606031398.db2.gz REGSATZSLKEPKD-YVEFUNNKSA-N -2 0 360.370 2.185 20 0 FEADRL O=C([O-])N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1ccccc1 ZINC000834122433 606049098 /nfs/dbraw/zinc/04/90/98/606049098.db2.gz LOWAGQDATXEAGQ-IRXDYDNUSA-N -2 0 368.389 2.424 20 0 FEADRL O=C([O-])COc1ccc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c2ccccc12 ZINC000834064553 606054315 /nfs/dbraw/zinc/05/43/15/606054315.db2.gz BDETXBARJNGTSV-LLVKDONJSA-N -2 0 358.350 2.242 20 0 FEADRL O=C([O-])Cn1ccc2cc(NC(=O)CC3CCN(C(=O)[O-])CC3)ccc21 ZINC000834068155 606059178 /nfs/dbraw/zinc/05/91/78/606059178.db2.gz KGDPQNHRQGFVIZ-UHFFFAOYSA-N -2 0 359.382 2.445 20 0 FEADRL O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCC[C@@H]2NC(=O)[O-])c1 ZINC000834066646 606061216 /nfs/dbraw/zinc/06/12/16/606061216.db2.gz UQOKVAPBJFQEIB-OLZOCXBDSA-N -2 0 352.412 2.379 20 0 FEADRL O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2NC(=O)[O-])cc1 ZINC000834060141 606066156 /nfs/dbraw/zinc/06/61/56/606066156.db2.gz NSRDZIOQFCRWNC-UONOGXRCSA-N -2 0 350.371 2.305 20 0 FEADRL O=C([O-])C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccc(Cl)cc1 ZINC000834067268 606068184 /nfs/dbraw/zinc/06/81/84/606068184.db2.gz ZHVKSYBZNXZXFP-ZDUSSCGKSA-N -2 0 354.790 2.362 20 0 FEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1 ZINC000811707718 674621974 /nfs/dbraw/zinc/62/19/74/674621974.db2.gz FQJURODVXVFDOT-UHFFFAOYSA-N -2 0 352.299 2.172 20 0 FEADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000816731738 675076017 /nfs/dbraw/zinc/07/60/17/675076017.db2.gz CTOYRPZZHVYVLV-UHFFFAOYSA-N -2 0 371.300 2.216 20 0 FEADRL CC(C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)[O-] ZINC000034443773 670135992 /nfs/dbraw/zinc/13/59/92/670135992.db2.gz QUKROWPRBSBQEK-RXMQYKEDSA-N -2 0 361.288 2.160 20 0 FEADRL C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795346 670341144 /nfs/dbraw/zinc/34/11/44/670341144.db2.gz QBMAWDNBWJDLHQ-JTQLQIEISA-N -2 0 361.375 2.223 20 0 FEADRL 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FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1C(=O)[O-] ZINC000738828637 600234447 /nfs/dbraw/zinc/23/44/47/600234447.db2.gz HKIFNMPRIINLQG-UHFFFAOYSA-N -2 0 374.378 2.404 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cc3occc3s2)s1 ZINC000740174029 600352985 /nfs/dbraw/zinc/35/29/85/600352985.db2.gz PQGISCMCTORMMF-UHFFFAOYSA-N -2 0 357.390 2.373 20 0 FEADRL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736820820 600395820 /nfs/dbraw/zinc/39/58/20/600395820.db2.gz GVZWNTLYWSNPOT-LLVKDONJSA-N -2 0 366.395 2.004 20 0 FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)c1C(=O)[O-] ZINC000738335714 600422703 /nfs/dbraw/zinc/42/27/03/600422703.db2.gz VCTCNNJKRZWLDR-UHFFFAOYSA-N -2 0 372.815 2.480 20 0 FEADRL CC(C)(C)c1ccc(SCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000736299471 600462154 /nfs/dbraw/zinc/46/21/54/600462154.db2.gz LKBGHLRIKGCMHK-UHFFFAOYSA-N -2 0 373.496 2.387 20 0 FEADRL Cc1ccc(SCCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1C ZINC000738667632 600463380 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O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)c[nH]1 ZINC000833306230 600979610 /nfs/dbraw/zinc/97/96/10/600979610.db2.gz HFMAPWMIHIKGBD-UHFFFAOYSA-N -2 0 366.786 2.353 20 0 FEADRL C/C(=C\c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000825798582 601141657 /nfs/dbraw/zinc/14/16/57/601141657.db2.gz PFHGFXLYHWJLGM-PKNBQFBNSA-N -2 0 363.366 2.432 20 0 FEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000831945397 601200710 /nfs/dbraw/zinc/20/07/10/601200710.db2.gz GESYWLMTSOBKHG-UHFFFAOYSA-N -2 0 356.425 2.322 20 0 FEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Br)n2)cc1C(=O)[O-] ZINC000833029335 601229803 /nfs/dbraw/zinc/22/98/03/601229803.db2.gz GBKSYUVIAWSYPE-UHFFFAOYSA-N -2 0 361.173 2.245 20 0 FEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1C(=O)[O-] ZINC000833030179 601230881 /nfs/dbraw/zinc/23/08/81/601230881.db2.gz SQKROORDKFRTGS-UHFFFAOYSA-N -2 0 365.411 2.472 20 0 FEADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2)n[nH]1 ZINC000832991935 601232898 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Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000547891764 673898620 /nfs/dbraw/zinc/89/86/20/673898620.db2.gz KMYXPCWAMSBYSV-ZDUSSCGKSA-N -2 0 369.389 2.495 20 0 FEADRL O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000547914479 673903862 /nfs/dbraw/zinc/90/38/62/673903862.db2.gz GGATXJBAGNKGPG-RYUDHWBXSA-N -2 0 350.421 2.118 20 0 FEADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000548268299 673945992 /nfs/dbraw/zinc/94/59/92/673945992.db2.gz KVPIZTSRSVFBGG-LBPRGKRZSA-N -2 0 363.288 2.347 20 0 FEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000548535174 673967454 /nfs/dbraw/zinc/96/74/54/673967454.db2.gz LWMNYPXPRVEVPA-SCZZXKLOSA-N -2 0 373.780 2.454 20 0 FEADRL COc1cc(C)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(C(=O)[O-])c1 ZINC000548566388 673973579 /nfs/dbraw/zinc/97/35/79/673973579.db2.gz DGRYJCXZZDOXQM-UHFFFAOYSA-N -2 0 361.379 2.379 20 0 FEADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cn2n1 ZINC000821090441 675412870 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Cn1ncc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1C(=O)[O-] ZINC000774623187 681211911 /nfs/dbraw/zinc/21/19/11/681211911.db2.gz WWVSPHCZOYEHKE-UHFFFAOYSA-N -2 0 365.411 2.241 20 0 FEADRL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000848340787 681523945 /nfs/dbraw/zinc/52/39/45/681523945.db2.gz DFXACXPRPASBKX-GMSGAONNSA-N -2 0 366.286 2.342 20 0 FEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)c1 ZINC000780414475 681825366 /nfs/dbraw/zinc/82/53/66/681825366.db2.gz BSTMMZYAWMSQBU-UHFFFAOYSA-N -2 0 367.354 2.102 20 0 FEADRL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2C1 ZINC000783862093 682182474 /nfs/dbraw/zinc/18/24/74/682182474.db2.gz LKGUABWHHNMUAG-CYBMUJFWSA-N -2 0 351.380 2.201 20 0 FEADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793409692 682887315 /nfs/dbraw/zinc/88/73/15/682887315.db2.gz AQVXEPPFSBIWDB-UHFFFAOYSA-N -2 0 373.383 2.481 20 0 FEADRL CC(C)C[C@H](C[N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926477264 683130197 /nfs/dbraw/zinc/13/01/97/683130197.db2.gz MHNZKANIORSCOK-MRVPVSSYSA-N -2 0 354.222 2.067 20 0 FEADRL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1occc1Br)C(=O)[O-] ZINC000926485321 683131797 /nfs/dbraw/zinc/13/17/97/683131797.db2.gz FGTZNQCLUALKEB-MRVPVSSYSA-N -2 0 354.222 2.210 20 0 FEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000863951897 683791825 /nfs/dbraw/zinc/79/18/25/683791825.db2.gz WSVPDSCYVVMDLY-CYBMUJFWSA-N -2 0 366.222 2.299 20 0 FEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863953326 683792299 /nfs/dbraw/zinc/79/22/99/683792299.db2.gz SEAJJBBNRFJXID-ZDUSSCGKSA-N -2 0 364.423 2.095 20 0 FEADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1CCCC1 ZINC000863954081 683792674 /nfs/dbraw/zinc/79/26/74/683792674.db2.gz LDIQKCPLMHXVBR-INIZCTEOSA-N -2 0 363.435 2.311 20 0 FEADRL COc1cc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])cc1C(C)C ZINC000863960326 683793781 /nfs/dbraw/zinc/79/37/81/683793781.db2.gz METJAOFLMSADPR-UHFFFAOYSA-N -2 0 357.428 2.043 20 0 FEADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])c1Cl ZINC000863961525 683794325 /nfs/dbraw/zinc/79/43/25/683794325.db2.gz QGINRCIQFZJSEL-UHFFFAOYSA-N -2 0 354.211 2.218 20 0 FEADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc(Cl)cc1)C1CCCC1 ZINC000863963268 683795030 /nfs/dbraw/zinc/79/50/30/683795030.db2.gz QLFDCNJAOYUABM-CQSZACIVSA-N -2 0 373.858 2.220 20 0 FEADRL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863964394 683795552 /nfs/dbraw/zinc/79/55/52/683795552.db2.gz UBLWDKSDRIWYHW-HNNXBMFYSA-N -2 0 353.440 2.140 20 0 FEADRL O=C([O-])C[C@H](CNS(=O)(=O)c1coc2ccccc21)C(F)(F)F ZINC000899924199 690440497 /nfs/dbraw/zinc/44/04/97/690440497.db2.gz RKQCSIFIKADESB-MRVPVSSYSA-N -2 0 351.302 2.364 20 0 FEADRL CC1(C)CCC[C@H](CS(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)O1 ZINC000901587762 690661621 /nfs/dbraw/zinc/66/16/21/690661621.db2.gz QARUKVBGJSQEMY-SSDOTTSWSA-N -2 0 371.356 2.232 20 0 FEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCc2ccccc2Cl)C1 ZINC000910184624 691897355 /nfs/dbraw/zinc/89/73/55/691897355.db2.gz QQDFCDGZWVKJOB-JSGCOSHPSA-N -2 0 353.802 2.439 20 0 FEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000910186603 691897519 /nfs/dbraw/zinc/89/75/19/691897519.db2.gz SFVORAPVUSUPTA-CABZTGNLSA-N -2 0 360.193 2.312 20 0 FEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2cc(F)ccc2s1 ZINC000910188228 691897776 /nfs/dbraw/zinc/89/77/76/691897776.db2.gz JYZSPYBZIWKEDR-GZMMTYOYSA-N -2 0 351.355 2.430 20 0 FEADRL CCC(CC)n1nc(C)cc1C(=O)N=c1[n-]nc([N-]S(C)(=O)=O)s1 ZINC000540466164 541062755 /nfs/dbraw/zinc/06/27/55/541062755.db2.gz WGNWATWEWZIHSF-UHFFFAOYSA-N -2 0 372.476 2.028 20 0 FEADRL Cc1cc(=NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[nH]n1[C@@H](C)C1CC1 ZINC000544266154 541743525 /nfs/dbraw/zinc/74/35/25/541743525.db2.gz WNJBQZHBYBABSD-JTQLQIEISA-N -2 0 368.397 2.473 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)c[nH]1 ZINC000359927367 203895640 /nfs/dbraw/zinc/89/56/40/203895640.db2.gz LFTDNXDJOARMID-UHFFFAOYSA-N -2 0 366.786 2.353 20 0 FEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000081198561 542639088 /nfs/dbraw/zinc/63/90/88/542639088.db2.gz OZNQSCXXEIAATL-UHFFFAOYSA-N -2 0 361.379 2.332 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CC(F)F)n2)cc(C(=O)[O-])c1C ZINC000121858072 326372347 /nfs/dbraw/zinc/37/23/47/326372347.db2.gz KJEJULZGPUOETJ-UHFFFAOYSA-N -2 0 359.354 2.264 20 0 FEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)c1C ZINC000266600806 329240432 /nfs/dbraw/zinc/24/04/32/329240432.db2.gz PJNAURVYGUTSQE-UHFFFAOYSA-N -2 0 353.400 2.027 20 0 FEADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000266810333 329261674 /nfs/dbraw/zinc/26/16/74/329261674.db2.gz VKTQQNFHNKVRJD-UHFFFAOYSA-N -2 0 373.358 2.251 20 0 FEADRL CCn1nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C1CC1 ZINC000267462273 329329889 /nfs/dbraw/zinc/32/98/89/329329889.db2.gz OLFFUPHDCUFVOA-UHFFFAOYSA-N -2 0 365.411 2.045 20 0 FEADRL COc1cc(/C=C/C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000276070175 330116507 /nfs/dbraw/zinc/11/65/07/330116507.db2.gz MJSCNVZXNGFPBV-STMXVASLSA-N -2 0 355.412 2.104 20 0 FEADRL Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000555448666 674362061 /nfs/dbraw/zinc/36/20/61/674362061.db2.gz ZQBBYCRKPAYXIK-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000484559610 561300087 /nfs/dbraw/zinc/30/00/87/561300087.db2.gz VFAROPSLVZYCON-UHFFFAOYSA-N -2 0 353.425 2.050 20 0 FEADRL CCc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)COC)n2)cc1C(=O)[O-] ZINC000488978285 561400846 /nfs/dbraw/zinc/40/08/46/561400846.db2.gz JOTRJEJAALJUFC-LLVKDONJSA-N -2 0 367.427 2.152 20 0 FEADRL Cc1ccc(-n2[n-]c(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])cc2=O)cc1 ZINC000248534520 549454890 /nfs/dbraw/zinc/45/48/90/549454890.db2.gz JHZRCSPHXNUTIL-XYPHTWIQSA-N -2 0 369.421 2.332 20 0 FEADRL CCOc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000280844521 551038010 /nfs/dbraw/zinc/03/80/10/551038010.db2.gz AYHOUBUVNUMUGQ-UHFFFAOYSA-N -2 0 367.427 2.441 20 0 FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c1 ZINC000281170780 551070528 /nfs/dbraw/zinc/07/05/28/551070528.db2.gz PWSBTQIJVSALED-UHFFFAOYSA-N -2 0 355.391 2.490 20 0 FEADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000299538863 553578215 /nfs/dbraw/zinc/57/82/15/553578215.db2.gz APADWYVFBCMMHS-JTQLQIEISA-N -2 0 365.411 2.042 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c[nH]1 ZINC000299624908 553590572 /nfs/dbraw/zinc/59/05/72/553590572.db2.gz REPPHBOSQDMBGY-ZDUSSCGKSA-N -2 0 366.395 2.072 20 0 FEADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000326845999 553783525 /nfs/dbraw/zinc/78/35/25/553783525.db2.gz DIKCQORVGJULKM-UHFFFAOYSA-N -2 0 369.326 2.037 20 0 FEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1O ZINC000328161103 553793012 /nfs/dbraw/zinc/79/30/12/553793012.db2.gz QPFVYQLWDKLMSS-UHFFFAOYSA-N -2 0 365.363 2.053 20 0 FEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cn1 ZINC000506576879 561702656 /nfs/dbraw/zinc/70/26/56/561702656.db2.gz GMNVPPXQOMAQBW-UHFFFAOYSA-N -2 0 354.409 2.311 20 0 FEADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000506593586 561703123 /nfs/dbraw/zinc/70/31/23/561703123.db2.gz JNTDFPVOXJUXNP-UHFFFAOYSA-N -2 0 351.380 2.341 20 0 FEADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000506691610 561706159 /nfs/dbraw/zinc/70/61/59/561706159.db2.gz ZWMCYKZYHVVMAK-UHFFFAOYSA-N -2 0 369.370 2.480 20 0 FEADRL Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000509630665 561808000 /nfs/dbraw/zinc/80/80/00/561808000.db2.gz CKTZFZNFZRUBKV-UHFFFAOYSA-N -2 0 366.370 2.040 20 0 FEADRL COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000511108368 561857550 /nfs/dbraw/zinc/85/75/50/561857550.db2.gz QDNIICOEXHVPRG-UHFFFAOYSA-N -2 0 370.408 2.214 20 0 FEADRL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000365859613 555685674 /nfs/dbraw/zinc/68/56/74/555685674.db2.gz HDNSLDCEBIBWPR-UHFFFAOYSA-N -2 0 371.422 2.269 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)N[C@H]2COc3ccccc32)c(F)cc1F ZINC000371851515 557311127 /nfs/dbraw/zinc/31/11/27/557311127.db2.gz GNBJPAAYPJPCBV-LBPRGKRZSA-N -2 0 355.318 2.075 20 0 FEADRL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000525529876 562249921 /nfs/dbraw/zinc/24/99/21/562249921.db2.gz PXZHWMHCZRYWTD-UHFFFAOYSA-N -2 0 370.333 2.422 20 0 FEADRL Cc1nn(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1C(F)F ZINC000414167559 559151313 /nfs/dbraw/zinc/15/13/13/559151313.db2.gz PKPQZLRTGPOLFZ-UHFFFAOYSA-N -2 0 359.354 2.474 20 0 FEADRL COC(=O)[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000414391408 559161034 /nfs/dbraw/zinc/16/10/34/559161034.db2.gz CNVOJBBJAAVAPI-SECBINFHSA-N -2 0 367.379 2.364 20 0 FEADRL CC(C)(C)c1n[n-]c(=N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)s1 ZINC000416451128 559313764 /nfs/dbraw/zinc/31/37/64/559313764.db2.gz 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Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cnn1[C@H]1CCOC1 ZINC000451097857 560286989 /nfs/dbraw/zinc/28/69/89/560286989.db2.gz UGOSHOKDLIWLSG-JTQLQIEISA-N -2 0 357.819 2.313 20 0 FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000466268037 560883023 /nfs/dbraw/zinc/88/30/23/560883023.db2.gz UIGTUYKYCLFJRU-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)cc(C(=O)[O-])c1C ZINC000471132439 560998972 /nfs/dbraw/zinc/99/89/72/560998972.db2.gz HSLSJDUNVULSMC-UHFFFAOYSA-N -2 0 362.407 2.210 20 0 FEADRL O=C([O-])Cn1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])nn1 ZINC000533951332 562522260 /nfs/dbraw/zinc/52/22/60/562522260.db2.gz ISVXQRURRUHKGY-YFHOEESVSA-N -2 0 350.334 2.096 20 0 FEADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000536901568 562582280 /nfs/dbraw/zinc/58/22/80/562582280.db2.gz PDEXQBSDUQXFRQ-UHFFFAOYSA-N -2 0 364.445 2.368 20 0 FEADRL Cn1ncc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1C(=O)[O-] ZINC000536992491 562583694 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C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1)C(=O)[O-] ZINC000509378080 561796956 /nfs/dbraw/zinc/79/69/56/561796956.db2.gz JJCMELNTSMVULL-NSHDSACASA-N -2 0 363.391 2.479 20 0 FEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000509628299 561807934 /nfs/dbraw/zinc/80/79/34/561807934.db2.gz IJJRLSSLXBJANN-UHFFFAOYSA-N -2 0 369.370 2.407 20 0 FEADRL Cc1cn(-c2cccnc2)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000367812671 556145344 /nfs/dbraw/zinc/14/53/44/556145344.db2.gz YNXFTQNNAQXJCK-UHFFFAOYSA-N -2 0 372.406 2.383 20 0 FEADRL Cc1cn(-c2cccnc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000371687366 557262891 /nfs/dbraw/zinc/26/28/91/557262891.db2.gz YNPUESVGTWBNBQ-UHFFFAOYSA-N -2 0 372.406 2.383 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)sc1C(=O)[O-] ZINC000518349191 562109223 /nfs/dbraw/zinc/10/92/23/562109223.db2.gz AOBBNBLVIUYKAY-UHFFFAOYSA-N -2 0 364.408 2.341 20 0 FEADRL Cc1ccc(-c2cnccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000373523442 557710698 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FEADRL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000417416256 559361342 /nfs/dbraw/zinc/36/13/42/559361342.db2.gz ICJIPPVLDDUAJH-MRVPVSSYSA-N -2 0 355.334 2.285 20 0 FEADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cnn1C ZINC000427251268 559751309 /nfs/dbraw/zinc/75/13/09/559751309.db2.gz BUIAFACFMAMDRE-UHFFFAOYSA-N -2 0 363.317 2.246 20 0 FEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427326939 559753404 /nfs/dbraw/zinc/75/34/04/559753404.db2.gz BEMDVOJMGRRLQT-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)oc1C ZINC000427339938 559753763 /nfs/dbraw/zinc/75/37/63/559753763.db2.gz XNQKGLGYRDWHTA-UHFFFAOYSA-N -2 0 357.315 2.013 20 0 FEADRL COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1C(=O)[O-] ZINC000432783475 559864735 /nfs/dbraw/zinc/86/47/35/559864735.db2.gz ZYDRRFRRPRFXEG-UHFFFAOYSA-N -2 0 365.363 2.201 20 0 FEADRL COc1cc(S(=O)(=O)[N-]c2c(C)cccc2O)cc(C(=O)[O-])c1OC ZINC000433834600 559888691 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FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000466268974 560882962 /nfs/dbraw/zinc/88/29/62/560882962.db2.gz WCORZZAYMKRSMX-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL CCOc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1OC ZINC000468604078 560933894 /nfs/dbraw/zinc/93/38/94/560933894.db2.gz WSNHHDIOXGROQQ-UHFFFAOYSA-N -2 0 370.365 2.404 20 0 FEADRL COC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1C ZINC000471516763 561006298 /nfs/dbraw/zinc/00/62/98/561006298.db2.gz SHYFQSRFDUYIEL-UHFFFAOYSA-N -2 0 368.349 2.092 20 0 FEADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC000471568846 561007415 /nfs/dbraw/zinc/00/74/15/561007415.db2.gz CXDOKCFCPWZRDN-UHFFFAOYSA-N -3 0 374.374 2.376 20 0 FEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cn1 ZINC000476802997 561128900 /nfs/dbraw/zinc/12/89/00/561128900.db2.gz IOHUYQYYWGIECJ-UHFFFAOYSA-N -2 0 371.390 2.041 20 0 FEADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)onc2CC)cc1C(=O)[O-] ZINC000533627944 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Cc1cccc(F)c1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000484574716 561300446 /nfs/dbraw/zinc/30/04/46/561300446.db2.gz MAOIEDQDOSMERU-UHFFFAOYSA-N -2 0 353.327 2.362 20 0 FEADRL COCc1ccccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000484694198 561303544 /nfs/dbraw/zinc/30/35/44/561303544.db2.gz LKBMKGJHZWRTON-UHFFFAOYSA-N -2 0 369.370 2.480 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])oc1C ZINC000484805473 561306239 /nfs/dbraw/zinc/30/62/39/561306239.db2.gz AGLQXYZLVAUSMM-UHFFFAOYSA-N -2 0 367.379 2.490 20 0 FEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000484954812 561309265 /nfs/dbraw/zinc/30/92/65/561309265.db2.gz FAAZOAQMPJRFIZ-ZDUSSCGKSA-N -2 0 357.428 2.484 20 0 FEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cnn1C ZINC000485397883 561318310 /nfs/dbraw/zinc/31/83/10/561318310.db2.gz ZLEFDWXAHDUWEK-UHFFFAOYSA-N -2 0 373.818 2.360 20 0 FEADRL Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(=O)[O-] ZINC000489761863 561418522 /nfs/dbraw/zinc/41/85/22/561418522.db2.gz GDJMAMJUTCMJJE-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)nc1Cl ZINC000269292998 550177722 /nfs/dbraw/zinc/17/77/22/550177722.db2.gz MHLBEQXTEWYILJ-UHFFFAOYSA-N -2 0 357.819 2.237 20 0 FEADRL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000269996721 550242119 /nfs/dbraw/zinc/24/21/19/550242119.db2.gz HXAIGTMINKAHCA-UHFFFAOYSA-N -2 0 367.379 2.229 20 0 FEADRL COc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)ccc1C(=O)[O-] ZINC000278561120 550799305 /nfs/dbraw/zinc/79/93/05/550799305.db2.gz BLYCBEWFCVWJEB-UHFFFAOYSA-N -2 0 353.400 2.047 20 0 FEADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccsc2)c(OC)c1OC ZINC000504665346 561660897 /nfs/dbraw/zinc/66/08/97/561660897.db2.gz DHRKOLSCMDLYRC-UHFFFAOYSA-N -2 0 373.408 2.273 20 0 FEADRL CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000324843383 553774011 /nfs/dbraw/zinc/77/40/11/553774011.db2.gz CREKONQLRMOQRF-UHFFFAOYSA-N -2 0 353.352 2.264 20 0 FEADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000326677343 553782585 /nfs/dbraw/zinc/78/25/85/553782585.db2.gz ONWLKURUNMDIQV-UHFFFAOYSA-N -2 0 363.391 2.210 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(F)c1 ZINC000327344453 553788021 /nfs/dbraw/zinc/78/80/21/553788021.db2.gz PNTMJPPMKSLRCV-UHFFFAOYSA-N -2 0 367.354 2.486 20 0 FEADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000327371456 553788746 /nfs/dbraw/zinc/78/87/46/553788746.db2.gz RXLXSSWQORJFDW-UHFFFAOYSA-N -2 0 373.333 2.481 20 0 FEADRL O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])cs2)c2ccccc21 ZINC000360133050 554864063 /nfs/dbraw/zinc/86/40/63/554864063.db2.gz ZSHXHHHFPNFAKB-SECBINFHSA-N -2 0 367.404 2.214 20 0 FEADRL COC(=O)c1coc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000513813041 561950847 /nfs/dbraw/zinc/95/08/47/561950847.db2.gz WMOFWFVJOYMHIW-UHFFFAOYSA-N -2 0 359.743 2.219 20 0 FEADRL C[C@H]([C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-])C1CC1 ZINC000519551791 562134620 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2.240 20 0 FEADRL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1c([O-])cccc1O ZINC000436905766 559956070 /nfs/dbraw/zinc/95/60/70/559956070.db2.gz OTNLWAJJQZBBGC-UHFFFAOYSA-N -2 0 363.345 2.493 20 0 FEADRL CSc1nc(=NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])[n-][nH]1 ZINC000439149504 559989187 /nfs/dbraw/zinc/98/91/87/559989187.db2.gz BBXGGYMWCVYURO-UHFFFAOYSA-N -2 0 358.427 2.794 20 0 FEADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)cc1C(=O)[O-] ZINC000441319524 560028580 /nfs/dbraw/zinc/02/85/80/560028580.db2.gz VSYMKXFRBVCILY-UHFFFAOYSA-N -2 0 362.407 2.155 20 0 FEADRL Cc1nc(C=Cc2ccc(OCC(=O)[O-])cc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000443445172 560084287 /nfs/dbraw/zinc/08/42/87/560084287.db2.gz QKRFFURZIYPCJD-YWEYNIOJSA-N -2 0 358.350 2.142 20 0 FEADRL CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000461991382 560791141 /nfs/dbraw/zinc/79/11/41/560791141.db2.gz CWQUVKUCILRKKK-UHFFFAOYSA-N -2 0 367.365 2.264 20 0 FEADRL COC(=O)c1cc(C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000462014743 560792645 /nfs/dbraw/zinc/79/26/45/560792645.db2.gz NBCIHWCQLLSJPO-UHFFFAOYSA-N -2 0 368.349 2.092 20 0 FEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC000462082952 560795940 /nfs/dbraw/zinc/79/59/40/560795940.db2.gz YZZJHEORHJTBEK-UHFFFAOYSA-N -2 0 352.368 2.354 20 0 FEADRL CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ncccc12 ZINC000463789536 560824442 /nfs/dbraw/zinc/82/44/42/560824442.db2.gz KETFRIVZBDRZSI-UHFFFAOYSA-N -2 0 361.379 2.461 20 0 FEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000467745624 560916314 /nfs/dbraw/zinc/91/63/14/560916314.db2.gz GFRGGWWAMPFRNP-UHFFFAOYSA-N -3 0 365.363 2.152 20 0 FEADRL Cc1cc(C(=O)Nc2nc3c(cccc3F)n2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468357083 560927905 /nfs/dbraw/zinc/92/79/05/560927905.db2.gz IRTHUUYYEJEAIP-UHFFFAOYSA-N -2 0 368.328 2.023 20 0 FEADRL CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccc(OC)cc1 ZINC000468508326 560931817 /nfs/dbraw/zinc/93/18/17/560931817.db2.gz YSXVKIXISRMKFA-UHFFFAOYSA-N -2 0 354.366 2.420 20 0 FEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)ccc1O ZINC000468820071 560939746 /nfs/dbraw/zinc/93/97/46/560939746.db2.gz DRWNYIJDORMLLW-UHFFFAOYSA-N -2 0 351.380 2.462 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c[nH]1 ZINC000471116776 560998525 /nfs/dbraw/zinc/99/85/25/560998525.db2.gz PEBCRESFZWYDPU-UHFFFAOYSA-N -2 0 368.321 2.182 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1C(=O)[O-] ZINC000474302187 561070582 /nfs/dbraw/zinc/07/05/82/561070582.db2.gz KUSGMCQTCWLFJV-UHFFFAOYSA-N -2 0 360.338 2.168 20 0 FEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000474316002 561071049 /nfs/dbraw/zinc/07/10/49/561071049.db2.gz JCYKYUUQDWYFAK-UHFFFAOYSA-N -2 0 367.354 2.040 20 0 FEADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000533624401 562514542 /nfs/dbraw/zinc/51/45/42/562514542.db2.gz OCINHCJSNXAAGU-UHFFFAOYSA-N -2 0 357.315 2.094 20 0 FEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000534400908 562533362 /nfs/dbraw/zinc/53/33/62/562533362.db2.gz DFJNTQRVMPIKPQ-UHFFFAOYSA-N -2 0 365.342 2.210 20 0 FEADRL CO[C@H](C)c1nc(=NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)s[n-]1 ZINC000549775021 562639549 /nfs/dbraw/zinc/63/95/49/562639549.db2.gz TVOZKOIGDCUXQB-MRVPVSSYSA-N -2 0 362.386 2.209 20 0 FEADRL Cc1c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cnn1-c1ccccn1 ZINC000818778472 597227731 /nfs/dbraw/zinc/22/77/31/597227731.db2.gz MRBYVFLLRKRGOM-UHFFFAOYSA-N -2 0 372.406 2.004 20 0 FEADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818512939 597315362 /nfs/dbraw/zinc/31/53/62/597315362.db2.gz WTYZEHPFIRMERK-UHFFFAOYSA-N -2 0 363.391 2.210 20 0 FEADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000739549171 599728272 /nfs/dbraw/zinc/72/82/72/599728272.db2.gz SHRSQUAOFBRKEY-CABCVRRESA-N -2 0 351.424 2.260 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)o1 ZINC000740187785 599736860 /nfs/dbraw/zinc/73/68/60/599736860.db2.gz VZHBZSIAUGSJHU-UHFFFAOYSA-N -2 0 364.379 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20 0 FEADRL CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000486203993 561341027 /nfs/dbraw/zinc/34/10/27/561341027.db2.gz JJTBSZGWUPDIQR-GFCCVEGCSA-N -2 0 368.436 2.142 20 0 FEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000488375071 561388852 /nfs/dbraw/zinc/38/88/52/561388852.db2.gz ZUGBASAIWHLMEZ-VIFPVBQESA-N -2 0 351.384 2.059 20 0 FEADRL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000274953890 550567404 /nfs/dbraw/zinc/56/74/04/550567404.db2.gz IJDZHKXOBPNXTD-RXMQYKEDSA-N -2 0 361.288 2.304 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])nc1Cl ZINC000281154969 551068934 /nfs/dbraw/zinc/06/89/34/551068934.db2.gz AZSLVUSCEBVHRF-UHFFFAOYSA-N -2 0 357.819 2.282 20 0 FEADRL CCn1nccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000281973289 551164393 /nfs/dbraw/zinc/16/43/93/551164393.db2.gz LIOWXFCFTUVQSK-UHFFFAOYSA-N -2 0 353.400 2.189 20 0 FEADRL COc1ccc(C[NH2+][C@]2(C(=O)[O-])CCSC2)c(Br)c1O ZINC000283783239 551426458 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2.450 20 0 FEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000296835935 553218102 /nfs/dbraw/zinc/21/81/02/553218102.db2.gz WVDHVXOHMQEIKL-UHFFFAOYSA-N -2 0 350.396 2.217 20 0 FEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)nc1C ZINC000504260745 561655204 /nfs/dbraw/zinc/65/52/04/561655204.db2.gz PZAVUBZZVDHIQW-UHFFFAOYSA-N -2 0 351.428 2.420 20 0 FEADRL CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000310681836 553753138 /nfs/dbraw/zinc/75/31/38/553753138.db2.gz SEWRFRLWMOYBJU-MRVPVSSYSA-N -2 0 356.625 2.244 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(F)c1 ZINC000325846671 553778229 /nfs/dbraw/zinc/77/82/29/553778229.db2.gz UCFMPNJDWIJKHC-UHFFFAOYSA-N -2 0 353.327 2.096 20 0 FEADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000507020817 561714268 /nfs/dbraw/zinc/71/42/68/561714268.db2.gz IGONIACQNOOLDR-UHFFFAOYSA-N -2 0 355.441 2.258 20 0 FEADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000507907716 561745343 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FEADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1OC ZINC000392195266 558616385 /nfs/dbraw/zinc/61/63/85/558616385.db2.gz RTCFDOUKUYBRHK-UHFFFAOYSA-N -2 0 371.342 2.048 20 0 FEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OC)cc1C(=O)[O-] ZINC000392535202 558617871 /nfs/dbraw/zinc/61/78/71/558617871.db2.gz QMSUXOYSVJOLPN-UHFFFAOYSA-N -2 0 371.392 2.042 20 0 FEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000523980839 562222602 /nfs/dbraw/zinc/22/26/02/562222602.db2.gz PZZZYUHYXVJCJP-UHFFFAOYSA-N -3 0 365.363 2.201 20 0 FEADRL CC(C)C[C@@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000424424677 559664036 /nfs/dbraw/zinc/66/40/36/559664036.db2.gz PJLMGPQHVBWUEJ-JTQLQIEISA-N -2 0 366.443 2.285 20 0 FEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1Cl ZINC000433801405 559888119 /nfs/dbraw/zinc/88/81/19/559888119.db2.gz KDQFWKBWNSQEDD-UHFFFAOYSA-N -2 0 357.771 2.310 20 0 FEADRL NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc3ccccc3cc2O)c1 ZINC000436727717 559950101 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FEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C(=O)[O-])c1 ZINC000438804189 559983933 /nfs/dbraw/zinc/98/39/33/559983933.db2.gz HGNNSPPCTOEOIS-UHFFFAOYSA-N -3 0 353.327 2.331 20 0 FEADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(N)=O)cc1C(=O)[O-] ZINC000441336435 560028760 /nfs/dbraw/zinc/02/87/60/560028760.db2.gz PHPXQKMDQYCMMM-UHFFFAOYSA-N -2 0 362.407 2.155 20 0 FEADRL CC(C)(C)CC[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000449134313 560217411 /nfs/dbraw/zinc/21/74/11/560217411.db2.gz IFQSJBKVGYKFKW-ZDUSSCGKSA-N -2 0 374.434 2.207 20 0 FEADRL COc1cc(F)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1OC ZINC000462018605 560792913 /nfs/dbraw/zinc/79/29/13/560792913.db2.gz XQYQPTCPVNAYEI-UHFFFAOYSA-N -2 0 374.328 2.153 20 0 FEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(N)=O ZINC000466293794 560883852 /nfs/dbraw/zinc/88/38/52/560883852.db2.gz QZZVNHMDBSYMQF-UHFFFAOYSA-N -2 0 368.798 2.246 20 0 FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000466340871 560884747 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374.466 2.057 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)cc1C(=O)[O-] ZINC000530540405 562415270 /nfs/dbraw/zinc/41/52/70/562415270.db2.gz DBJIRZHTVZHSAG-UHFFFAOYSA-N -2 0 350.396 2.238 20 0 FEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)o1 ZINC000530648831 562419046 /nfs/dbraw/zinc/41/90/46/562419046.db2.gz PADSZSMDEXULGO-UHFFFAOYSA-N -2 0 353.352 2.128 20 0 FEADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000531780748 562456447 /nfs/dbraw/zinc/45/64/47/562456447.db2.gz ZMQHWCFCJGLEDI-UHFFFAOYSA-N -2 0 359.331 2.243 20 0 FEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000532851697 562490448 /nfs/dbraw/zinc/49/04/48/562490448.db2.gz XETMMUQRJATNGY-UHFFFAOYSA-N -2 0 359.356 2.393 20 0 FEADRL CCOc1ccccc1N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000533624190 562514647 /nfs/dbraw/zinc/51/46/47/562514647.db2.gz SMXLWPGVWOWTNG-UHFFFAOYSA-N -2 0 351.380 2.314 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)o1 ZINC000536906735 562582375 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/nfs/dbraw/zinc/65/36/04/559653604.db2.gz XXZOWQJWQLLFNY-UHFFFAOYSA-N -2 0 367.427 2.165 20 0 FEADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000431812794 559846412 /nfs/dbraw/zinc/84/64/12/559846412.db2.gz MIFUROWGNXXGQC-UHFFFAOYSA-N -2 0 370.333 2.287 20 0 FEADRL COc1cccc2c1N(S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])CCC2 ZINC000433488008 559882824 /nfs/dbraw/zinc/88/28/24/559882824.db2.gz LWXZBHHJQYUPID-UHFFFAOYSA-N -2 0 363.391 2.241 20 0 FEADRL CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433489633 559883067 /nfs/dbraw/zinc/88/30/67/559883067.db2.gz DEJKGROLCJEJBK-CQSZACIVSA-N -2 0 365.407 2.057 20 0 FEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c(O)c1 ZINC000436018418 559933744 /nfs/dbraw/zinc/93/37/44/559933744.db2.gz DNJLKMAASZBCJU-UHFFFAOYSA-N -2 0 371.374 2.348 20 0 FEADRL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000436179124 559936824 /nfs/dbraw/zinc/93/68/24/559936824.db2.gz JDXQLEUBGCJDPQ-UHFFFAOYSA-N -2 0 373.383 2.481 20 0 FEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1O ZINC000436760963 559951153 /nfs/dbraw/zinc/95/11/53/559951153.db2.gz GKCCVGNMJPVXMM-UHFFFAOYSA-N -2 0 359.363 2.077 20 0 FEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)c1O ZINC000436994907 559959005 /nfs/dbraw/zinc/95/90/05/559959005.db2.gz OUQWJWAZJDTKGB-UHFFFAOYSA-N -2 0 371.374 2.348 20 0 FEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C(=O)[O-] ZINC000438764035 559983230 /nfs/dbraw/zinc/98/32/30/559983230.db2.gz IVZPIQZKLJKIJY-UHFFFAOYSA-N -3 0 353.327 2.331 20 0 FEADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000438773797 559983448 /nfs/dbraw/zinc/98/34/48/559983448.db2.gz PZFOGEIQGICART-UHFFFAOYSA-N -2 0 353.400 2.052 20 0 FEADRL CCCn1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C1CC1 ZINC000452963318 560379366 /nfs/dbraw/zinc/37/93/66/560379366.db2.gz FNHJSSVSEBVOBB-UHFFFAOYSA-N -2 0 368.397 2.481 20 0 FEADRL CCc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000466482170 560887805 /nfs/dbraw/zinc/88/78/05/560887805.db2.gz ODIWROYNDZHESR-UHFFFAOYSA-N -2 0 360.395 2.262 20 0 FEADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)n[nH]1 ZINC000467760062 560916609 /nfs/dbraw/zinc/91/66/09/560916609.db2.gz RIRDBVHGSNCCCN-UHFFFAOYSA-N -2 0 362.367 2.181 20 0 FEADRL CN1CCc2ccc(S(=O)(=O)Nc3cc(F)c(F)cc3C(=O)[O-])cc21 ZINC000468851403 560940451 /nfs/dbraw/zinc/94/04/51/560940451.db2.gz GHAZWZFHJKOINI-UHFFFAOYSA-N -2 0 368.361 2.456 20 0 FEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000474301154 561070692 /nfs/dbraw/zinc/07/06/92/561070692.db2.gz GQHUIWVHLVKVLT-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1C ZINC000476386940 561118135 /nfs/dbraw/zinc/11/81/35/561118135.db2.gz PRRLZAILJRDQAE-UHFFFAOYSA-N -2 0 353.352 2.182 20 0 FEADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000532874949 562491388 /nfs/dbraw/zinc/49/13/88/562491388.db2.gz QTGGTIDVGHSBIZ-ZDUSSCGKSA-N -2 0 368.455 2.165 20 0 FEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1CC(=O)[O-] ZINC000537037195 562584462 /nfs/dbraw/zinc/58/44/62/562584462.db2.gz SQTQNVJHNOLVEF-UHFFFAOYSA-N -2 0 351.380 2.137 20 0 FEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c[nH]1 ZINC000541307250 562608518 /nfs/dbraw/zinc/60/85/18/562608518.db2.gz JNCISVDUYKGVRM-JTQLQIEISA-N -2 0 366.395 2.180 20 0 FEADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000738286939 597310614 /nfs/dbraw/zinc/31/06/14/597310614.db2.gz INFHGBMAKUSYCL-JTQLQIEISA-N -2 0 368.436 2.060 20 0 FEADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000739549177 599728120 /nfs/dbraw/zinc/72/81/20/599728120.db2.gz SHRSQUAOFBRKEY-LSDHHAIUSA-N -2 0 351.424 2.260 20 0 FEADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000390202279 599735038 /nfs/dbraw/zinc/73/50/38/599735038.db2.gz BFIZWNDINXJOML-UHFFFAOYSA-N -2 0 359.743 2.219 20 0 FEADRL CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736435212 599739010 /nfs/dbraw/zinc/73/90/10/599739010.db2.gz CHRNJKKDNWXOMI-UHFFFAOYSA-N -2 0 351.428 2.357 20 0 FEADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000738720941 599739997 /nfs/dbraw/zinc/73/99/97/599739997.db2.gz FEZSMORXSBEIDS-UHFFFAOYSA-N -2 0 361.379 2.332 20 0 FEADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000738798921 600058540 /nfs/dbraw/zinc/05/85/40/600058540.db2.gz ULSLAQGEWRYIEX-UHFFFAOYSA-N -2 0 373.390 2.385 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n(C)n1 ZINC000389915610 600101822 /nfs/dbraw/zinc/10/18/22/600101822.db2.gz BYQQOJHFYWWZPK-UHFFFAOYSA-N -2 0 351.409 2.442 20 0 FEADRL COC(=O)c1cc(NC(=O)c2n[n-]c3ccccc3c2=O)cc(C(=O)[O-])c1 ZINC000737665007 600173932 /nfs/dbraw/zinc/17/39/32/600173932.db2.gz KLVOUJQPQFZEHT-UHFFFAOYSA-N -2 0 367.317 2.073 20 0 FEADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1cccs1 ZINC000736223807 600201978 /nfs/dbraw/zinc/20/19/78/600201978.db2.gz QXUOVDNSGMPLEM-UHFFFAOYSA-N -2 0 359.450 2.291 20 0 FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1C(=O)[O-] ZINC000738828224 600231024 /nfs/dbraw/zinc/23/10/24/600231024.db2.gz SJAPNNYKYDHDSQ-UHFFFAOYSA-N -2 0 357.391 2.469 20 0 FEADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000740000187 600303777 /nfs/dbraw/zinc/30/37/77/600303777.db2.gz HFCYNGCATPOZGW-UHFFFAOYSA-N -2 0 364.379 2.026 20 0 FEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738168415 600447263 /nfs/dbraw/zinc/44/72/63/600447263.db2.gz OJDMQWFFHPPHRG-CQSZACIVSA-N -2 0 367.354 2.180 20 0 FEADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1Cl ZINC000060554415 600481736 /nfs/dbraw/zinc/48/17/36/600481736.db2.gz DGIVTOQWNXFRQC-UHFFFAOYSA-N -2 0 350.183 2.226 20 0 FEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000740248484 600515125 /nfs/dbraw/zinc/51/51/25/600515125.db2.gz AJKKCAJSDFFLDQ-UHFFFAOYSA-N -2 0 370.770 2.005 20 0 FEADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000038030486 600529121 /nfs/dbraw/zinc/52/91/21/600529121.db2.gz RJVGTAJJDCPMLL-UHFFFAOYSA-N -2 0 350.183 2.075 20 0 FEADRL COC(=O)c1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000737710837 600576591 /nfs/dbraw/zinc/57/65/91/600576591.db2.gz BOOFRSMAYLHSNM-UHFFFAOYSA-N -2 0 370.770 2.021 20 0 FEADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000738901038 600613141 /nfs/dbraw/zinc/61/31/41/600613141.db2.gz KXDFKRIAXZEHCX-UHFFFAOYSA-N -2 0 367.427 2.345 20 0 FEADRL Cc1ccc(-n2[n-]c(C(=O)NCCc3ccc(C(=O)[O-])cc3)cc2=O)cc1 ZINC000738493702 600655728 /nfs/dbraw/zinc/65/57/28/600655728.db2.gz BKZLTLKUTPTEKU-UHFFFAOYSA-N -2 0 365.389 2.145 20 0 FEADRL CCCCSCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000737001328 600658065 /nfs/dbraw/zinc/65/80/65/600658065.db2.gz RGEDHGPPEMGCQE-UHFFFAOYSA-N -2 0 359.469 2.254 20 0 FEADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832780853 600678364 /nfs/dbraw/zinc/67/83/64/600678364.db2.gz IZRKQPBDJXMBOL-UHFFFAOYSA-N -2 0 361.832 2.144 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cs1 ZINC000588834365 600679709 /nfs/dbraw/zinc/67/97/09/600679709.db2.gz IKPJPMXRPYOSKR-UHFFFAOYSA-N -2 0 351.365 2.297 20 0 FEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000833268182 600686372 /nfs/dbraw/zinc/68/63/72/600686372.db2.gz JZILMWRHJGTPCE-UHFFFAOYSA-N -3 0 371.317 2.091 20 0 FEADRL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832938645 600691892 /nfs/dbraw/zinc/69/18/92/600691892.db2.gz MBVQTVHUTROMLH-UHFFFAOYSA-N -2 0 366.351 2.044 20 0 FEADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C ZINC000829895766 600830106 /nfs/dbraw/zinc/83/01/06/600830106.db2.gz XMAQAJLZBVBGSF-UHFFFAOYSA-N -2 0 372.424 2.071 20 0 FEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000833348055 600938667 /nfs/dbraw/zinc/93/86/67/600938667.db2.gz MQOHSPIRIQROKS-QWRGUYRKSA-N -2 0 357.453 2.468 20 0 FEADRL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000829381552 600980914 /nfs/dbraw/zinc/98/09/14/600980914.db2.gz ZEWIEABPBPWLPZ-UHFFFAOYSA-N -2 0 366.443 2.005 20 0 FEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nc3c(s2)COCC3)c1 ZINC000833296930 600983030 /nfs/dbraw/zinc/98/30/30/600983030.db2.gz FNBTVRGPPMZNDV-UHFFFAOYSA-N -2 0 374.827 2.368 20 0 FEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(SC)nc1 ZINC000831946011 601200989 /nfs/dbraw/zinc/20/09/89/601200989.db2.gz PADQOPMUVGMIDA-UHFFFAOYSA-N -2 0 360.438 2.373 20 0 FEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(CO)ccc1C ZINC000831946819 601204261 /nfs/dbraw/zinc/20/42/61/601204261.db2.gz YZCBKUXOBXPSPF-UHFFFAOYSA-N -2 0 357.409 2.056 20 0 FEADRL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000826636754 601224544 /nfs/dbraw/zinc/22/45/44/601224544.db2.gz IJBGCVGXAFECKB-UHFFFAOYSA-N -2 0 371.436 2.397 20 0 FEADRL O=C([O-])Nc1cccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000833288792 601224896 /nfs/dbraw/zinc/22/48/96/601224896.db2.gz HJIRRSKPGONIDV-UHFFFAOYSA-N -2 0 354.315 2.415 20 0 FEADRL O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000833266719 601225026 /nfs/dbraw/zinc/22/50/26/601225026.db2.gz DNFJFFUXJBZZNT-UHFFFAOYSA-N -2 0 359.356 2.013 20 0 FEADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000829389600 601238375 /nfs/dbraw/zinc/23/83/75/601238375.db2.gz MUXYFTQBUOBWFM-KBPBESRZSA-N -2 0 362.492 2.141 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000832954916 601240763 /nfs/dbraw/zinc/24/07/63/601240763.db2.gz VTZVPKSFMBKUOZ-QWRGUYRKSA-N -2 0 359.831 2.344 20 0 FEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000832889592 601283026 /nfs/dbraw/zinc/28/30/26/601283026.db2.gz JNWCLFGGYQLYNL-LLVKDONJSA-N -2 0 361.373 2.351 20 0 FEADRL Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000832887552 601327571 /nfs/dbraw/zinc/32/75/71/601327571.db2.gz KYQDMGWIYUACFN-UHFFFAOYSA-N -3 0 373.383 2.322 20 0 FEADRL CC(C)C[C@@H](C)OCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000826763848 601598031 /nfs/dbraw/zinc/59/80/31/601598031.db2.gz JQKKTCQQLYMKIA-SNVBAGLBSA-N -2 0 363.457 2.093 20 0 FEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2Cc2ccccc2)c1 ZINC000833332933 601599567 /nfs/dbraw/zinc/59/95/67/601599567.db2.gz FHQYJNDKQNAMJW-ZBFHGGJFSA-N -2 0 359.403 2.069 20 0 FEADRL C[C@H](C(=O)[O-])[C@H](NCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccccc1 ZINC000826054896 601652463 /nfs/dbraw/zinc/65/24/63/601652463.db2.gz RZBSNQHLWOACMC-SJCJKPOMSA-N -2 0 373.434 2.060 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc(F)c1F ZINC000751147036 601836713 /nfs/dbraw/zinc/83/67/13/601836713.db2.gz XEEIGQBFSJGIRL-UHFFFAOYSA-N -2 0 371.317 2.235 20 0 FEADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000833232362 602105968 /nfs/dbraw/zinc/10/59/68/602105968.db2.gz PCOYAHABSXCSNU-UHFFFAOYSA-N -2 0 361.832 2.400 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1F ZINC000832956670 602107074 /nfs/dbraw/zinc/10/70/74/602107074.db2.gz QBTCXNGKQQHBPS-UHFFFAOYSA-N -2 0 359.404 2.194 20 0 FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1C(=O)[O-] ZINC000832991769 602170358 /nfs/dbraw/zinc/17/03/58/602170358.db2.gz QAMURXSMUONHLG-UHFFFAOYSA-N -2 0 367.280 2.375 20 0 FEADRL COc1ccsc1[C@H]1NC(=O)N(CCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000832636814 602194629 /nfs/dbraw/zinc/19/46/29/602194629.db2.gz GKDVQGIMHMLJQZ-ZDUSSCGKSA-N -2 0 368.411 2.437 20 0 FEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000832204214 602301612 /nfs/dbraw/zinc/30/16/12/602301612.db2.gz MGRGNPGYEGSANW-UHFFFAOYSA-N -2 0 369.326 2.032 20 0 FEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000759169566 602309131 /nfs/dbraw/zinc/30/91/31/602309131.db2.gz ODUQCBXYJQTIQL-UHFFFAOYSA-N -2 0 359.306 2.178 20 0 FEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1F ZINC000831434854 602322670 /nfs/dbraw/zinc/32/26/70/602322670.db2.gz HJSHGBUPVKDAHY-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL O=C([O-])Nc1cc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1F ZINC000740699227 602566145 /nfs/dbraw/zinc/56/61/45/602566145.db2.gz RZLSKMYUTLXPME-UHFFFAOYSA-N -2 0 374.296 2.313 20 0 FEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cn1 ZINC000739570251 602645955 /nfs/dbraw/zinc/64/59/55/602645955.db2.gz NHMJZNHOOMPQJK-UHFFFAOYSA-N -2 0 350.400 2.134 20 0 FEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F ZINC000740245014 602653341 /nfs/dbraw/zinc/65/33/41/602653341.db2.gz DTSFEPQZDBGHNS-UHFFFAOYSA-N -2 0 362.770 2.412 20 0 FEADRL CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000739318453 602669824 /nfs/dbraw/zinc/66/98/24/602669824.db2.gz AGQISJVHIMIPCY-ZDUSSCGKSA-N -2 0 356.444 2.161 20 0 FEADRL COc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1NC(=O)[O-] ZINC000739868173 603229019 /nfs/dbraw/zinc/22/90/19/603229019.db2.gz FONCTPVOHVUHCO-UHFFFAOYSA-N -2 0 354.388 2.363 20 0 FEADRL COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C)c(NC(=O)[O-])c1 ZINC000829650724 603472205 /nfs/dbraw/zinc/47/22/05/603472205.db2.gz UIXBKNWPPUXKRV-UHFFFAOYSA-N -2 0 364.379 2.212 20 0 FEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1NC(=O)[O-] ZINC000829198025 603624831 /nfs/dbraw/zinc/62/48/31/603624831.db2.gz LRRKABUPFOSQOB-UHFFFAOYSA-N -3 0 370.339 2.186 20 0 FEADRL O=C([O-])N(CCCNC(=O)c1cc(F)c([O-])c(F)c1)Cc1cccnc1 ZINC000831672181 603746169 /nfs/dbraw/zinc/74/61/69/603746169.db2.gz WRERMZPIERLCPF-UHFFFAOYSA-N -2 0 365.336 2.366 20 0 FEADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000830062007 603926412 /nfs/dbraw/zinc/92/64/12/603926412.db2.gz PNDPGFJMDPSGPZ-UHFFFAOYSA-N -2 0 370.333 2.482 20 0 FEADRL C[C@H](C(=O)[N-]S(=O)(=O)C1CCCC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703811 604124674 /nfs/dbraw/zinc/12/46/74/604124674.db2.gz PKYDQUIBKMXTJJ-FZMZJTMJSA-N -2 0 354.428 2.020 20 0 FEADRL O=C(CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])[N-]S(=O)(=O)CC1CCCCC1 ZINC000831308237 604154999 /nfs/dbraw/zinc/15/49/99/604154999.db2.gz PLMPMMXQQOJJOD-GOOCMWNKSA-N -2 0 372.487 2.324 20 0 FEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823712921 604205881 /nfs/dbraw/zinc/20/58/81/604205881.db2.gz LPLGTTOHAPPYES-SWLSCSKDSA-N -2 0 362.407 2.137 20 0 FEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1F)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824678241 604394114 /nfs/dbraw/zinc/39/41/14/604394114.db2.gz AAHLLHXAHBMCRF-NWDGAFQWSA-N -2 0 372.418 2.047 20 0 FEADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833400057 604687483 /nfs/dbraw/zinc/68/74/83/604687483.db2.gz YLANHFXXUANICY-UHFFFAOYSA-N -2 0 369.786 2.192 20 0 FEADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)cn1 ZINC000833275162 604791648 /nfs/dbraw/zinc/79/16/48/604791648.db2.gz RYEZKJKIKAHQNR-UHFFFAOYSA-N -2 0 372.815 2.032 20 0 FEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)cc1C(=O)[O-] ZINC000833055562 604801852 /nfs/dbraw/zinc/80/18/52/604801852.db2.gz ZAPXWKWWFBYBHP-UHFFFAOYSA-N -2 0 363.367 2.234 20 0 FEADRL CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000826758982 604846310 /nfs/dbraw/zinc/84/63/10/604846310.db2.gz UKKNETOMTKMQTD-SNVBAGLBSA-N -2 0 366.798 2.029 20 0 FEADRL COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833718005 604884543 /nfs/dbraw/zinc/88/45/43/604884543.db2.gz YDCQBEDLAMDUJR-UHFFFAOYSA-N -2 0 370.770 2.021 20 0 FEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC000833412989 604992506 /nfs/dbraw/zinc/99/25/06/604992506.db2.gz ACKGBEQIIBVBAK-QMMMGPOBSA-N -2 0 361.514 2.268 20 0 FEADRL Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833583039 605037428 /nfs/dbraw/zinc/03/74/28/605037428.db2.gz CFDVJNBSPQNVDX-INIZCTEOSA-N -2 0 351.362 2.358 20 0 FEADRL C[C@H](CC(=O)[N-]S(=O)(=O)C1CCCCC1)C1CCN(C(=O)[O-])CC1 ZINC000824680164 605067892 /nfs/dbraw/zinc/06/78/92/605067892.db2.gz RXNYYAYELYRULZ-GFCCVEGCSA-N -2 0 360.476 2.181 20 0 FEADRL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)CSc1n[n-]c(=S)s1 ZINC000832230809 605150157 /nfs/dbraw/zinc/15/01/57/605150157.db2.gz IQFQFDHCJZBYFJ-CBLAIPOGSA-N -2 0 374.513 2.099 20 0 FEADRL C[C@@]1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833567942 605244294 /nfs/dbraw/zinc/24/42/94/605244294.db2.gz ATIUATUEECKBEU-YMTOWFKASA-N -2 0 351.346 2.416 20 0 FEADRL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000824070311 605275846 /nfs/dbraw/zinc/27/58/46/605275846.db2.gz ANNMVXTVSMCPQV-CABCVRRESA-N -2 0 368.455 2.015 20 0 FEADRL Cc1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)ccc1NC(=O)[O-] ZINC000829941378 605888510 /nfs/dbraw/zinc/88/85/10/605888510.db2.gz UDUHCFGCGQPJLM-CQSZACIVSA-N -2 0 352.354 2.117 20 0 FEADRL C[C@]1(NC(=O)[O-])CCCC[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000833831687 606031534 /nfs/dbraw/zinc/03/15/34/606031534.db2.gz REGSATZSLKEPKD-PXAZEXFGSA-N -2 0 360.370 2.185 20 0 FEADRL O=C([O-])C[C@@H](NC(=O)CCCNC(=O)[O-])c1ccc(Br)cc1 ZINC000834060869 606047634 /nfs/dbraw/zinc/04/76/34/606047634.db2.gz LLJIXLFKOGRNRI-LLVKDONJSA-N -2 0 373.203 2.129 20 0 FEADRL O=C([O-])NCc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000834246125 606049158 /nfs/dbraw/zinc/04/91/58/606049158.db2.gz IRHLIUXLNRTOIU-MRXNPFEDSA-N -2 0 354.362 2.106 20 0 FEADRL O=C([O-])NC1(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)CCCC1 ZINC000834152876 606057032 /nfs/dbraw/zinc/05/70/32/606057032.db2.gz YXQLDMQOPAVFRQ-UHFFFAOYSA-N -2 0 371.393 2.331 20 0 FEADRL O=C([O-])N[C@H](C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-])c1ccccc1 ZINC000834251682 606061306 /nfs/dbraw/zinc/06/13/06/606061306.db2.gz MDAXGPWXRXDRPW-HOCLYGCPSA-N -2 0 374.368 2.194 20 0 FEADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000834065349 606068357 /nfs/dbraw/zinc/06/83/57/606068357.db2.gz KWTYPYBZLXPUIM-WXHSDQCUSA-N -2 0 354.790 2.408 20 0 FEADRL O=C([O-])N[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)Cc1ccccc1 ZINC000834121767 606068570 /nfs/dbraw/zinc/06/85/70/606068570.db2.gz IPKBZXFVZOMBAU-GUYCJALGSA-N -2 0 374.368 2.337 20 0 FEADRL O=C([O-])COc1ccc(NC(=O)C[C@H]2CCCN2C(=O)[O-])cc1Cl ZINC000834064584 606069514 /nfs/dbraw/zinc/06/95/14/606069514.db2.gz BZJDTJTVUOMHQH-SNVBAGLBSA-N -2 0 356.762 2.274 20 0 FEADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1F ZINC000563331529 674873329 /nfs/dbraw/zinc/87/33/29/674873329.db2.gz FZAISYBJBUVWNX-UHFFFAOYSA-N -2 0 369.326 2.032 20 0 FEADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2OC)cc1C(=O)[O-] ZINC000569416842 670555821 /nfs/dbraw/zinc/55/58/21/670555821.db2.gz JBMHKIHRLUJXOL-UHFFFAOYSA-N -2 0 360.338 2.294 20 0 FEADRL CCc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)nn1C ZINC000817353762 675124057 /nfs/dbraw/zinc/12/40/57/675124057.db2.gz FCAKWPJEHQHRDA-UHFFFAOYSA-N -2 0 357.819 2.443 20 0 FEADRL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000565661013 675141133 /nfs/dbraw/zinc/14/11/33/675141133.db2.gz LSPCSPPHJHJXPW-QMMMGPOBSA-N -2 0 357.325 2.411 20 0 FEADRL CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000580431124 671807013 /nfs/dbraw/zinc/80/70/13/671807013.db2.gz DRNZUCJHLSZIFR-UHFFFAOYSA-N -2 0 366.395 2.469 20 0 FEADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC000611443934 676037348 /nfs/dbraw/zinc/03/73/48/676037348.db2.gz LOGIWBJDEKRTTP-UHFFFAOYSA-N -3 0 371.392 2.048 20 0 FEADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000326545824 673053664 /nfs/dbraw/zinc/05/36/64/673053664.db2.gz VABGHSRAZQNHDN-UHFFFAOYSA-N -2 0 351.380 2.341 20 0 FEADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000327277655 673058831 /nfs/dbraw/zinc/05/88/31/673058831.db2.gz IHJVLANOQWYFPL-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL COC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1F ZINC000327717034 673061518 /nfs/dbraw/zinc/06/15/18/673061518.db2.gz RZSSOMPVNIFXQU-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c(F)c1 ZINC000542773313 673604301 /nfs/dbraw/zinc/60/43/01/673604301.db2.gz RNKFKHZTKKHKBF-UHFFFAOYSA-N -2 0 353.327 2.362 20 0 FEADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cn1C ZINC000544818327 673734446 /nfs/dbraw/zinc/73/44/46/673734446.db2.gz UCFREXCWLLPVEI-UHFFFAOYSA-N -2 0 366.395 2.009 20 0 FEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000545369677 673764103 /nfs/dbraw/zinc/76/41/03/673764103.db2.gz KETSFDAMLCIJMN-UHFFFAOYSA-N -2 0 360.185 2.470 20 0 FEADRL COCCOc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000547243423 673837282 /nfs/dbraw/zinc/83/72/82/673837282.db2.gz YAYZVKMITOFFHP-UHFFFAOYSA-N -2 0 351.380 2.211 20 0 FEADRL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000547541398 673860570 /nfs/dbraw/zinc/86/05/70/673860570.db2.gz IACKEYHLPOIYNE-UHFFFAOYSA-N -2 0 373.383 2.102 20 0 FEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000547545329 673860852 /nfs/dbraw/zinc/86/08/52/673860852.db2.gz CBYIHLLSJPYOMW-UHFFFAOYSA-N -3 0 357.290 2.162 20 0 FEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000547617123 673875605 /nfs/dbraw/zinc/87/56/05/673875605.db2.gz PADZZVJMSADAIA-UHFFFAOYSA-N -2 0 364.354 2.346 20 0 FEADRL CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000547875450 673895879 /nfs/dbraw/zinc/89/58/79/673895879.db2.gz JKPFOEMQMWMVAA-UHFFFAOYSA-N -2 0 368.436 2.192 20 0 FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000548199277 673933124 /nfs/dbraw/zinc/93/31/24/673933124.db2.gz XUACLPIDQYSVGM-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1c(F)cccc1F ZINC000548268298 673945955 /nfs/dbraw/zinc/94/59/55/673945955.db2.gz KVPIZTSRSVFBGG-GFCCVEGCSA-N -2 0 363.288 2.347 20 0 FEADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)cc1F ZINC000548619363 673980508 /nfs/dbraw/zinc/98/05/08/673980508.db2.gz VVRXNLDVCTVCSO-UHFFFAOYSA-N -2 0 363.317 2.095 20 0 FEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-] ZINC000677996351 679708623 /nfs/dbraw/zinc/70/86/23/679708623.db2.gz LYEVSUKNINGCJJ-UHFFFAOYSA-N -2 0 367.427 2.053 20 0 FEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000677995430 679708725 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0 FEADRL C[C@H](CC(=O)[O-])NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000485880581 561330966 /nfs/dbraw/zinc/33/09/66/561330966.db2.gz JVQUMQWIESMGFG-SNVBAGLBSA-N -2 0 368.436 2.142 20 0 FEADRL CCc1ccc(S(=O)(=O)[N-]c2ccn([C@@H](C)COC)n2)cc1C(=O)[O-] ZINC000488978289 561400844 /nfs/dbraw/zinc/40/08/44/561400844.db2.gz JOTRJEJAALJUFC-NSHDSACASA-N -2 0 367.427 2.152 20 0 FEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000263177163 549883451 /nfs/dbraw/zinc/88/34/51/549883451.db2.gz JYAACZZKGGGTBK-RYUDHWBXSA-N -2 0 361.373 2.351 20 0 FEADRL COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000281197522 551073163 /nfs/dbraw/zinc/07/31/63/551073163.db2.gz RSIBRFDJOMVPDS-FNORWQNLSA-N -2 0 365.411 2.371 20 0 FEADRL Cn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C1CC1 ZINC000290574261 552500648 /nfs/dbraw/zinc/50/06/48/552500648.db2.gz UTGGSWMSBPAGKL-UHFFFAOYSA-N -2 0 355.803 2.450 20 0 FEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000501856626 561606736 /nfs/dbraw/zinc/60/67/36/561606736.db2.gz FHFVOJNHFSWFQE-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000296695703 553199442 /nfs/dbraw/zinc/19/94/42/553199442.db2.gz KICBCCSUFVPEAM-UHFFFAOYSA-N -2 0 366.395 2.053 20 0 FEADRL Cc1nc(C=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-] ZINC000504733719 561661715 /nfs/dbraw/zinc/66/17/15/561661715.db2.gz VNCYJAJNGWSULV-ZADCQDASSA-N -2 0 358.350 2.140 20 0 FEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000323182693 553769470 /nfs/dbraw/zinc/76/94/70/553769470.db2.gz ALKASTLTDZRQAR-UHFFFAOYSA-N -2 0 359.356 2.173 20 0 FEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)nc1 ZINC000507969729 561747698 /nfs/dbraw/zinc/74/76/98/561747698.db2.gz XEOPMKONHQGXHG-UHFFFAOYSA-N -2 0 366.395 2.378 20 0 FEADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1C(=O)[O-] ZINC000507995768 561748409 /nfs/dbraw/zinc/74/84/09/561748409.db2.gz XRWIELSHRPTVJX-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509537999 561804427 /nfs/dbraw/zinc/80/44/27/561804427.db2.gz FNBZHGYGFNRXST-UHFFFAOYSA-N -2 0 357.775 2.126 20 0 FEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)c1 ZINC000365834717 555678725 /nfs/dbraw/zinc/67/87/25/555678725.db2.gz SLUITNYXRLPRKI-UHFFFAOYSA-N -2 0 353.377 2.212 20 0 FEADRL Cc1cn(-c2cccnc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000367811854 556145445 /nfs/dbraw/zinc/14/54/45/556145445.db2.gz VZDAYMWSPJHNJW-UHFFFAOYSA-N -2 0 364.408 2.136 20 0 FEADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000532364715 562475305 /nfs/dbraw/zinc/47/53/05/562475305.db2.gz HSNWCEIYMAEOPM-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1Cl ZINC000518710595 562116876 /nfs/dbraw/zinc/11/68/76/562116876.db2.gz FMGWMZGCOUTTTB-UHFFFAOYSA-N -2 0 371.802 2.136 20 0 FEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])s1 ZINC000521415121 562175852 /nfs/dbraw/zinc/17/58/52/562175852.db2.gz FYIMULWEEMMLEJ-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000392259056 558616891 /nfs/dbraw/zinc/61/68/91/558616891.db2.gz PLAIONGZRGKHPK-UHFFFAOYSA-N -2 0 353.327 2.331 20 0 FEADRL CC(C)Oc1c([N-]S(=O)(=O)c2c(Cl)cnn2C)cccc1C(=O)[O-] ZINC000410395445 558755077 /nfs/dbraw/zinc/75/50/77/558755077.db2.gz BUTMOSJUPPIJNF-UHFFFAOYSA-N -2 0 373.818 2.360 20 0 FEADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000525474643 562248824 /nfs/dbraw/zinc/24/88/24/562248824.db2.gz LGSBAUYUXZBNCP-UHFFFAOYSA-N -2 0 362.407 2.162 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cs1 ZINC000525533466 562249989 /nfs/dbraw/zinc/24/99/89/562249989.db2.gz GWUIGCHSACZQGX-UHFFFAOYSA-N -2 0 352.393 2.132 20 0 FEADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)c1OC ZINC000525751624 562253968 /nfs/dbraw/zinc/25/39/68/562253968.db2.gz BPBCQPRSXAANFK-UHFFFAOYSA-N -2 0 367.379 2.211 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c[nH]1 ZINC000432495318 559859731 /nfs/dbraw/zinc/85/97/31/559859731.db2.gz HQYRZKDDHSSLFH-UHFFFAOYSA-N -2 0 374.378 2.441 20 0 FEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1C(=O)[O-] ZINC000432778711 559864568 /nfs/dbraw/zinc/86/45/68/559864568.db2.gz ZYWAODOIPAPALD-UHFFFAOYSA-N -3 0 369.326 2.032 20 0 FEADRL Cc1ccc2c(c1)N(S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])C[C@@H](C)O2 ZINC000433496149 559883008 /nfs/dbraw/zinc/88/30/08/559883008.db2.gz CYZYYHVGBQGQGL-LLVKDONJSA-N -2 0 363.391 2.375 20 0 FEADRL CC[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000433515054 559883343 /nfs/dbraw/zinc/88/33/43/559883343.db2.gz ALKLWWLERVZLPS-LBPRGKRZSA-N -2 0 363.391 2.457 20 0 FEADRL COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc(C(=O)[O-])c1OC ZINC000433840352 559888657 /nfs/dbraw/zinc/88/86/57/559888657.db2.gz DGUZBHKVHRINPI-UHFFFAOYSA-N -2 0 371.342 2.048 20 0 FEADRL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cn2n1 ZINC000436477356 559942414 /nfs/dbraw/zinc/94/24/14/559942414.db2.gz LHVBOCALLFNWNV-UHFFFAOYSA-N -2 0 366.786 2.190 20 0 FEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436727127 559950090 /nfs/dbraw/zinc/95/00/90/559950090.db2.gz XXJCXTAGAGCEMC-UHFFFAOYSA-N -2 0 355.343 2.347 20 0 FEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000436999869 559959255 /nfs/dbraw/zinc/95/92/55/559959255.db2.gz SEDIWLUZNHYZED-UHFFFAOYSA-N -2 0 371.374 2.348 20 0 FEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000437006386 559959384 /nfs/dbraw/zinc/95/93/84/559959384.db2.gz VGPQGGZDMMHYOX-UHFFFAOYSA-N -2 0 353.327 2.233 20 0 FEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1F ZINC000446149927 560140809 /nfs/dbraw/zinc/14/08/09/560140809.db2.gz QZRKAFBTOAECMC-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1Cl ZINC000463779709 560823861 /nfs/dbraw/zinc/82/38/61/560823861.db2.gz BOAXBRILQUSANC-UHFFFAOYSA-N -2 0 351.718 2.431 20 0 FEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000466288209 560883547 /nfs/dbraw/zinc/88/35/47/560883547.db2.gz MRNURZIXYBHFAZ-CYBMUJFWSA-N -2 0 361.375 2.070 20 0 FEADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2F)c1OC ZINC000467330557 560908729 /nfs/dbraw/zinc/90/87/29/560908729.db2.gz PYGAAGNUVOUCPZ-UHFFFAOYSA-N -2 0 355.343 2.342 20 0 FEADRL COCCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468201915 560924631 /nfs/dbraw/zinc/92/46/31/560924631.db2.gz OHESJDZHPLFJRB-UHFFFAOYSA-N -2 0 354.366 2.186 20 0 FEADRL Cc1cc(C(=O)Nc2cccnc2OC(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468382592 560928367 /nfs/dbraw/zinc/92/83/67/560928367.db2.gz KAGRDPXJNVXFHK-UHFFFAOYSA-N -2 0 355.354 2.179 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(N)=O)cc(C(=O)[O-])c1C ZINC000471113849 560998574 /nfs/dbraw/zinc/99/85/74/560998574.db2.gz SWULOIMIWRRXTJ-UHFFFAOYSA-N -2 0 366.370 2.040 20 0 FEADRL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000473434498 561050020 /nfs/dbraw/zinc/05/00/20/561050020.db2.gz ZVPOTZWLBKEDFW-UHFFFAOYSA-N -2 0 373.390 2.385 20 0 FEADRL COc1ccsc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000531600157 562451271 /nfs/dbraw/zinc/45/12/71/562451271.db2.gz CHRMUQUPXGQQBA-UHFFFAOYSA-N -2 0 371.392 2.027 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)cc(C(=O)[O-])c1C ZINC000531854118 562458834 /nfs/dbraw/zinc/45/88/34/562458834.db2.gz HNKVYEJTHBXNIY-UHFFFAOYSA-N -2 0 372.406 2.383 20 0 FEADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000532292503 562472903 /nfs/dbraw/zinc/47/29/03/562472903.db2.gz YQNFOGDMDDNCFK-UHFFFAOYSA-N -2 0 372.358 2.432 20 0 FEADRL Cc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(=O)[O-] ZINC000534145518 562526510 /nfs/dbraw/zinc/52/65/10/562526510.db2.gz UTAYWQVPMCKUKY-UHFFFAOYSA-N -2 0 371.317 2.470 20 0 FEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000541802061 562619946 /nfs/dbraw/zinc/61/99/46/562619946.db2.gz WAVALFROHKJWCL-UHFFFAOYSA-N -3 0 372.786 2.359 20 0 FEADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000603974246 568189063 /nfs/dbraw/zinc/18/90/63/568189063.db2.gz HQXVNCKZKNUHIZ-UHFFFAOYSA-N -2 0 355.393 2.342 20 0 FEADRL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000327328629 597314337 /nfs/dbraw/zinc/31/43/37/597314337.db2.gz AKHVTZXAKCSDCV-UHFFFAOYSA-N -2 0 366.351 2.031 20 0 FEADRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000324326647 597314940 /nfs/dbraw/zinc/31/49/40/597314940.db2.gz ALDGUJJKAIJLGI-UHFFFAOYSA-N -2 0 350.352 2.331 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)o1 ZINC000325118097 599735912 /nfs/dbraw/zinc/73/59/12/599735912.db2.gz QBJSJMPKDVBVAG-UHFFFAOYSA-N -2 0 368.758 2.013 20 0 FEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC(=O)[O-])c1 ZINC000738398299 599851602 /nfs/dbraw/zinc/85/16/02/599851602.db2.gz VQRVRYLRZHDLRV-UHFFFAOYSA-N -3 0 371.392 2.019 20 0 FEADRL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736993418 599912612 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20 0 FEADRL Cc1nc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)sc1C(=O)[O-] ZINC000738864769 600054861 /nfs/dbraw/zinc/05/48/61/600054861.db2.gz CJRXWZACFAWTSN-UHFFFAOYSA-N -2 0 372.815 2.252 20 0 FEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000737303198 600057298 /nfs/dbraw/zinc/05/72/98/600057298.db2.gz SUVKKUGMPPPVLK-UHFFFAOYSA-N -2 0 363.317 2.421 20 0 FEADRL O=C([O-])COC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000739819290 600164968 /nfs/dbraw/zinc/16/49/68/600164968.db2.gz OKELFAAJRXNRIV-UHFFFAOYSA-N -2 0 369.782 2.382 20 0 FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1C(=O)[O-] ZINC000738829290 600235327 /nfs/dbraw/zinc/23/53/27/600235327.db2.gz PIBNAMVKJWMVAK-UHFFFAOYSA-N -2 0 357.363 2.143 20 0 FEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)cc1 ZINC000739886650 600244306 /nfs/dbraw/zinc/24/43/06/600244306.db2.gz RQGHKNIJDQABFU-UHFFFAOYSA-N -2 0 371.418 2.359 20 0 FEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Br)n2)c1 ZINC000740272586 600247733 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O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000614878684 676195120 /nfs/dbraw/zinc/19/51/20/676195120.db2.gz YHQNXHQLYVYPRY-UHFFFAOYSA-N -2 0 368.436 2.084 20 0 FEADRL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000547872077 673895247 /nfs/dbraw/zinc/89/52/47/673895247.db2.gz RUZSRBZIBSOPQQ-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000547888382 673897912 /nfs/dbraw/zinc/89/79/12/673897912.db2.gz HWCGOHDWKFGLSA-GFCCVEGCSA-N -2 0 351.346 2.416 20 0 FEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000548291023 673947850 /nfs/dbraw/zinc/94/78/50/673947850.db2.gz YMJBZGOZAKGQLQ-UHFFFAOYSA-N -2 0 359.354 2.264 20 0 FEADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000548521566 673964734 /nfs/dbraw/zinc/96/47/34/673964734.db2.gz HTXZHCVCTDVTJP-UHFFFAOYSA-N -2 0 367.354 2.420 20 0 FEADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000548526245 673965494 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366.286 2.342 20 0 FEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)OC)cc1C(=O)[O-] ZINC000504285684 561655507 /nfs/dbraw/zinc/65/55/07/561655507.db2.gz CXXREQDZTIHMBJ-UHFFFAOYSA-N -2 0 366.395 2.102 20 0 FEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000504601439 561660040 /nfs/dbraw/zinc/66/00/40/561660040.db2.gz LBQMTTZTGDMKOW-UHFFFAOYSA-N -2 0 363.317 2.246 20 0 FEADRL COc1ccc([N-]S(=O)(=O)c2cnc3onc(C)c3c2)c(C(=O)[O-])c1 ZINC000504641185 561660644 /nfs/dbraw/zinc/66/06/44/561660644.db2.gz CLCIXUCXUREKOC-UHFFFAOYSA-N -2 0 363.351 2.039 20 0 FEADRL COc1cc([N-]S(=O)(=O)c2ccoc2)c(C(=O)[O-])cc1OC(F)F ZINC000504679935 561661189 /nfs/dbraw/zinc/66/11/89/561661189.db2.gz HKNIEEOGHKEYPV-UHFFFAOYSA-N -2 0 363.294 2.389 20 0 FEADRL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000324647126 553772912 /nfs/dbraw/zinc/77/29/12/553772912.db2.gz FANJGNSMPYKNLS-UHFFFAOYSA-N -2 0 359.325 2.323 20 0 FEADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1C ZINC000324939580 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CCn1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cn1 ZINC000273370939 329859550 /nfs/dbraw/zinc/85/95/50/329859550.db2.gz CVKTXBXYMSHPHM-UHFFFAOYSA-N -2 0 364.427 2.002 20 0 FEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(N)=O ZINC000477420268 561144454 /nfs/dbraw/zinc/14/44/54/561144454.db2.gz OUQWJUOLCUVIAO-UHFFFAOYSA-N -2 0 368.798 2.246 20 0 FEADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC000478674354 561172476 /nfs/dbraw/zinc/17/24/76/561172476.db2.gz KLKZUHFSXFAANC-JTQLQIEISA-N -2 0 365.411 2.498 20 0 FEADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000479488532 561190450 /nfs/dbraw/zinc/19/04/50/561190450.db2.gz NGDMIOZKXRXSRI-UHFFFAOYSA-N -2 0 355.343 2.342 20 0 FEADRL Cc1cc(C(=O)Nc2n[nH]c3c2cccc3Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000178590207 546816633 /nfs/dbraw/zinc/81/66/33/546816633.db2.gz NTAKEHRXHOHLGC-UHFFFAOYSA-N -2 0 370.756 2.114 20 0 FEADRL CC[C@@H](C)n1ncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000482805368 561260467 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FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c1 ZINC000437648452 559967196 /nfs/dbraw/zinc/96/71/96/559967196.db2.gz GRARVYSVEVXSPE-UHFFFAOYSA-N -2 0 367.354 2.356 20 0 FEADRL CCC[C@@H](NC(=O)c1cc(Br)c(F)cc1[O-])c1nnn[n-]1 ZINC000450123291 560251239 /nfs/dbraw/zinc/25/12/39/560251239.db2.gz WJZVEERJMHFCOY-SECBINFHSA-N -2 0 358.171 2.078 20 0 FEADRL CCC[C@H](NC(=O)c1cc(Br)c(F)cc1[O-])c1nnn[n-]1 ZINC000450123292 560251273 /nfs/dbraw/zinc/25/12/73/560251273.db2.gz WJZVEERJMHFCOY-VIFPVBQESA-N -2 0 358.171 2.078 20 0 FEADRL COC(=O)c1ccc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000462051545 560794028 /nfs/dbraw/zinc/79/40/28/560794028.db2.gz GMYDJNLEVIYMIK-UHFFFAOYSA-N -2 0 368.349 2.092 20 0 FEADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC ZINC000467298596 560908162 /nfs/dbraw/zinc/90/81/62/560908162.db2.gz FLPMWJMHZHIZMC-UHFFFAOYSA-N -2 0 367.379 2.211 20 0 FEADRL Cc1cc(C(=O)Nc2cccc(OCCF)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000470134886 560975051 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O=C([O-])CSCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000833261417 600829106 /nfs/dbraw/zinc/82/91/06/600829106.db2.gz JRGZEYZUSCKVGH-UHFFFAOYSA-N -2 0 368.636 2.356 20 0 FEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1 ZINC000833333487 600944453 /nfs/dbraw/zinc/94/44/53/600944453.db2.gz OALXVWAAOQQZFX-QFBILLFUSA-N -2 0 371.414 2.094 20 0 FEADRL Cc1c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cnn1-c1ccccn1 ZINC000738305301 601120465 /nfs/dbraw/zinc/12/04/65/601120465.db2.gz MIXPTFZSKLMQQB-UHFFFAOYSA-N -2 0 364.408 2.136 20 0 FEADRL COc1ccc(CCCNS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000645955406 601217487 /nfs/dbraw/zinc/21/74/87/601217487.db2.gz FWSPJCAGHOPRPQ-UHFFFAOYSA-N -2 0 353.396 2.206 20 0 FEADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000749143566 601224007 /nfs/dbraw/zinc/22/40/07/601224007.db2.gz JLDHSMIRYHNYHS-UHFFFAOYSA-N -2 0 357.290 2.162 20 0 FEADRL O=C([O-])Nc1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000833289811 601224939 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Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488214918 561386297 /nfs/dbraw/zinc/38/62/97/561386297.db2.gz JTODNGCBJAEKKH-UHFFFAOYSA-N -2 0 365.289 2.116 20 0 FEADRL Cc1ccc(-n2[n-]c(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])cc2=O)cc1 ZINC000248534516 549453817 /nfs/dbraw/zinc/45/38/17/549453817.db2.gz JHZRCSPHXNUTIL-XKQJLSEDSA-N -2 0 369.421 2.332 20 0 FEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC000489609413 561415394 /nfs/dbraw/zinc/41/53/94/561415394.db2.gz JWRILWKOFRVZSC-UHFFFAOYSA-N -2 0 371.317 2.250 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)c(Cl)c1 ZINC000489709930 561417438 /nfs/dbraw/zinc/41/74/38/561417438.db2.gz SIWNERVIRIGZPB-UHFFFAOYSA-N -2 0 366.782 2.082 20 0 FEADRL NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489757256 561418467 /nfs/dbraw/zinc/41/84/67/561418467.db2.gz TUCRMMFDHDYICZ-UHFFFAOYSA-N -2 0 372.761 2.077 20 0 FEADRL CCCS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263324466 549895485 /nfs/dbraw/zinc/89/54/85/549895485.db2.gz KHMPTIQFBCUYQS-OLZOCXBDSA-N -2 0 368.455 2.021 20 0 FEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)cc1C(=O)[O-] ZINC000270021910 550244157 /nfs/dbraw/zinc/24/41/57/550244157.db2.gz VXCULVCUHWZKEA-UHFFFAOYSA-N -2 0 366.395 2.102 20 0 FEADRL Cc1ccc2[n-]cc(C(=O)N=c3nc(-c4cccnc4)[n-]s3)c(=O)c2c1 ZINC000502533482 561620502 /nfs/dbraw/zinc/62/05/02/561620502.db2.gz WWNNKBLIMVBIPS-UHFFFAOYSA-N -2 0 363.402 2.424 20 0 FEADRL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000504259623 561655048 /nfs/dbraw/zinc/65/50/48/561655048.db2.gz JWCXRSLLZZZXGT-UHFFFAOYSA-N -2 0 355.343 2.127 20 0 FEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c[nH]1 ZINC000319758167 553764194 /nfs/dbraw/zinc/76/41/94/553764194.db2.gz JZAFTSQGTKGHHE-UHFFFAOYSA-N -2 0 350.274 2.254 20 0 FEADRL COCCOCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324557597 553772757 /nfs/dbraw/zinc/77/27/57/553772757.db2.gz HHHUWQPARQBKCA-UHFFFAOYSA-N -2 0 371.436 2.410 20 0 FEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000325535737 553776890 /nfs/dbraw/zinc/77/68/90/553776890.db2.gz ILNNWEQKOWJTKS-UHFFFAOYSA-N -3 0 357.290 2.162 20 0 FEADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cnn1C ZINC000326715799 553782903 /nfs/dbraw/zinc/78/29/03/553782903.db2.gz BOPFCIGFSBOUIO-UHFFFAOYSA-N -2 0 363.317 2.246 20 0 FEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cn2cccn2)c1 ZINC000327428818 553788907 /nfs/dbraw/zinc/78/89/07/553788907.db2.gz QSIUPOKMSYENOE-UHFFFAOYSA-N -2 0 361.379 2.332 20 0 FEADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000507601704 561734679 /nfs/dbraw/zinc/73/46/79/561734679.db2.gz PGPWPRTYUMHSCJ-UHFFFAOYSA-N -2 0 365.363 2.039 20 0 FEADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000511122638 561858059 /nfs/dbraw/zinc/85/80/59/561858059.db2.gz HQGVRFACEPKRFT-UHFFFAOYSA-N -2 0 365.363 2.201 20 0 FEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000512742010 561913894 /nfs/dbraw/zinc/91/38/94/561913894.db2.gz DXTVDYHQFROVIM-UHFFFAOYSA-N -3 0 353.327 2.331 20 0 FEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)c1 ZINC000368503919 556329229 /nfs/dbraw/zinc/32/92/29/556329229.db2.gz SDFMOSLBMJXYMI-NSHDSACASA-N -2 0 355.393 2.063 20 0 FEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCC2=O ZINC000374836410 557938507 /nfs/dbraw/zinc/93/85/07/557938507.db2.gz GIQACTZHRVPDKF-UHFFFAOYSA-N -2 0 361.375 2.459 20 0 FEADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000391565019 558614430 /nfs/dbraw/zinc/61/44/30/558614430.db2.gz RFKDLRQKBNSTLO-VIFPVBQESA-N -2 0 357.819 2.453 20 0 FEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1O ZINC000555879798 674379775 /nfs/dbraw/zinc/37/97/75/674379775.db2.gz VHGBCJCTMHBPBN-UHFFFAOYSA-N -2 0 365.363 2.102 20 0 FEADRL CC(C)(CCNC(=O)N=c1[n-]nc(/C=C\c2ccco2)s1)C(=O)[O-] ZINC000424385421 559662554 /nfs/dbraw/zinc/66/25/54/559662554.db2.gz UFRGJHMHESEKTH-WAYWQWQTSA-N -2 0 350.400 2.924 20 0 FEADRL Cc1c(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)cnn1C ZINC000427212285 559750611 /nfs/dbraw/zinc/75/06/11/559750611.db2.gz KJSHOUWQXARPII-UHFFFAOYSA-N -2 0 374.422 2.327 20 0 FEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436786036 559952083 /nfs/dbraw/zinc/95/20/83/559952083.db2.gz RBPZIPVBIRWOFJ-UHFFFAOYSA-N -2 0 364.379 2.158 20 0 FEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000436881945 559955054 /nfs/dbraw/zinc/95/50/54/559955054.db2.gz VYRMLDWFJRJMOT-UHFFFAOYSA-N -2 0 363.391 2.413 20 0 FEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCc3ccc(F)cc32)c1 ZINC000437001058 559959177 /nfs/dbraw/zinc/95/91/77/559959177.db2.gz JRUGGNXNJXUOHX-UHFFFAOYSA-N -2 0 351.355 2.371 20 0 FEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)cc1C(=O)[O-] ZINC000438779311 559983488 /nfs/dbraw/zinc/98/34/88/559983488.db2.gz ZDMYJRVDYVJTQQ-UHFFFAOYSA-N -2 0 368.798 2.246 20 0 FEADRL Cc1nc(=NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)s[n-]1 ZINC000444298195 560108633 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FEADRL O=C([O-])c1ccc(CCC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000739255974 600043352 /nfs/dbraw/zinc/04/33/52/600043352.db2.gz MKXMOLPBFLJHBG-UHFFFAOYSA-N -2 0 353.334 2.299 20 0 FEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000736540778 600098881 /nfs/dbraw/zinc/09/88/81/600098881.db2.gz LQCHXISTOHALKU-SECBINFHSA-N -2 0 353.375 2.492 20 0 FEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C(N)=O ZINC000066587217 600099150 /nfs/dbraw/zinc/09/91/50/600099150.db2.gz ATNLBRJOBASERY-UHFFFAOYSA-N -2 0 368.798 2.246 20 0 FEADRL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738768552 600129640 /nfs/dbraw/zinc/12/96/40/600129640.db2.gz PPQWYMOBEWRRNW-UHFFFAOYSA-N -2 0 353.421 2.192 20 0 FEADRL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000738180608 600177366 /nfs/dbraw/zinc/17/73/66/600177366.db2.gz XTDPJRJFIQSULE-JOCHJYFZSA-N -2 0 357.384 2.062 20 0 FEADRL Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738655488 600301641 /nfs/dbraw/zinc/30/16/41/600301641.db2.gz YEIHPPMRKOKSBI-UHFFFAOYSA-N -2 0 364.379 2.262 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000738477057 600302746 /nfs/dbraw/zinc/30/27/46/600302746.db2.gz FFGLNHKEORFLTL-UHFFFAOYSA-N -3 0 370.408 2.323 20 0 FEADRL O=C([O-])CCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000739737943 600383418 /nfs/dbraw/zinc/38/34/18/600383418.db2.gz CDDMXHIMJXRDTN-UHFFFAOYSA-N -2 0 371.392 2.101 20 0 FEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2nc3c(s2)c(C)ccc3C)c1C(=O)[O-] ZINC000738334885 600422548 /nfs/dbraw/zinc/42/25/48/600422548.db2.gz GUBBAUJBRCUQHH-UHFFFAOYSA-N -2 0 366.424 2.444 20 0 FEADRL Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738260419 600463451 /nfs/dbraw/zinc/46/34/51/600463451.db2.gz BROUXHFFPBNDAR-UHFFFAOYSA-N -2 0 359.400 2.273 20 0 FEADRL Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000738553808 600465102 /nfs/dbraw/zinc/46/51/02/600465102.db2.gz ZWTDUOVMMWBYSS-ZDUSSCGKSA-N -2 0 371.455 2.197 20 0 FEADRL C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736626976 600511018 /nfs/dbraw/zinc/51/10/18/600511018.db2.gz QJYRNGMKIAITRF-SECBINFHSA-N -2 0 371.411 2.269 20 0 FEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000079701044 600513049 /nfs/dbraw/zinc/51/30/49/600513049.db2.gz GOOVEGGPUWACSE-UHFFFAOYSA-N -2 0 357.185 2.343 20 0 FEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CSc2ccccc21 ZINC000740289860 600519285 /nfs/dbraw/zinc/51/92/85/600519285.db2.gz OARUFWTYOZUEQC-VIFPVBQESA-N -2 0 369.445 2.141 20 0 FEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000738290912 600636636 /nfs/dbraw/zinc/63/66/36/600636636.db2.gz MHYDTYUCYCKKGW-UHFFFAOYSA-N -2 0 367.354 2.112 20 0 FEADRL CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000736512797 600756177 /nfs/dbraw/zinc/75/61/77/600756177.db2.gz NJHCWKFXMBGQON-LSDHHAIUSA-N -2 0 353.440 2.224 20 0 FEADRL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc1C ZINC000831479603 600827599 /nfs/dbraw/zinc/82/75/99/600827599.db2.gz RZHHJHYNMRLWHE-UHFFFAOYSA-N -2 0 370.408 2.046 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(-c2ccccc2)n1 ZINC000832898817 600827873 /nfs/dbraw/zinc/82/78/73/600827873.db2.gz UPPGPJXMKODRRY-UHFFFAOYSA-N -2 0 360.395 2.018 20 0 FEADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1 ZINC000826114222 600876701 /nfs/dbraw/zinc/87/67/01/600876701.db2.gz NHDCUYXKMUXVIN-UHFFFAOYSA-N -2 0 356.378 2.235 20 0 FEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccn3)c2)ccc1C(=O)[O-] ZINC000551946582 600894211 /nfs/dbraw/zinc/89/42/11/600894211.db2.gz WPWNAKCDSNLPLZ-UHFFFAOYSA-N -2 0 358.379 2.075 20 0 FEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000833334089 600945592 /nfs/dbraw/zinc/94/55/92/600945592.db2.gz VBNQCLDAKVHGSH-GJZGRUSLSA-N -2 0 351.424 2.406 20 0 FEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000832898183 600976662 /nfs/dbraw/zinc/97/66/62/600976662.db2.gz FJHYEYAABPKKRD-UHFFFAOYSA-N -2 0 360.395 2.067 20 0 FEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737948968 601117788 /nfs/dbraw/zinc/11/77/88/601117788.db2.gz QIDAOASYZXURLJ-UHFFFAOYSA-N -3 0 369.326 2.032 20 0 FEADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739889881 601118829 /nfs/dbraw/zinc/11/88/29/601118829.db2.gz SLYNWGAVQIKZKL-UHFFFAOYSA-N -2 0 369.782 2.466 20 0 FEADRL COc1ccc(NC(=O)CSc2n[n-]c(=S)s2)c(C(=O)[O-])c1 ZINC000832399105 601199630 /nfs/dbraw/zinc/19/96/30/601199630.db2.gz ZLQJQDBSHXFNTG-UHFFFAOYSA-N -2 0 357.438 2.264 20 0 FEADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000831453279 601231937 /nfs/dbraw/zinc/23/19/37/601231937.db2.gz LWRFCQSLFCRZEN-UHFFFAOYSA-N -2 0 353.352 2.182 20 0 FEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1F ZINC000324657174 601232429 /nfs/dbraw/zinc/23/24/29/601232429.db2.gz BSCPCJLZDAKALO-ZYHUDNBSSA-N -2 0 353.346 2.497 20 0 FEADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1C ZINC000831326858 601234833 /nfs/dbraw/zinc/23/48/33/601234833.db2.gz BJZWTNGVLALWGE-UHFFFAOYSA-N -2 0 353.352 2.182 20 0 FEADRL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000831249088 601331383 /nfs/dbraw/zinc/33/13/83/601331383.db2.gz UZIWWQGTCKGXOB-UHFFFAOYSA-N -2 0 366.395 2.226 20 0 FEADRL O=C([O-])[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccccc1 ZINC000833132514 601758043 /nfs/dbraw/zinc/75/80/43/601758043.db2.gz CWEVZPVTPCIIRZ-HNNXBMFYSA-N -2 0 369.352 2.315 20 0 FEADRL COc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000321797436 601771714 /nfs/dbraw/zinc/77/17/14/601771714.db2.gz VXWKSOLAAGJLKC-UHFFFAOYSA-N -2 0 356.425 2.360 20 0 FEADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000825907937 601783509 /nfs/dbraw/zinc/78/35/09/601783509.db2.gz GXEMEFWYXWTGPY-UHFFFAOYSA-N -2 0 371.802 2.136 20 0 FEADRL CCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OCC ZINC000830084465 601831379 /nfs/dbraw/zinc/83/13/79/601831379.db2.gz FZZQGTUXVXSYFC-UHFFFAOYSA-N -2 0 372.424 2.440 20 0 FEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000109418020 601834953 /nfs/dbraw/zinc/83/49/53/601834953.db2.gz IJVPZPKBVGQTTM-UHFFFAOYSA-N -2 0 360.750 2.382 20 0 FEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000547599219 601860441 /nfs/dbraw/zinc/86/04/41/601860441.db2.gz DDXUYBVDMFZEJR-UHFFFAOYSA-N -2 0 368.317 2.344 20 0 FEADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1F ZINC000832033738 601862759 /nfs/dbraw/zinc/86/27/59/601862759.db2.gz BXZKGRHLNXJECM-UHFFFAOYSA-N -2 0 373.333 2.481 20 0 FEADRL Cn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc2[n-]c1=S ZINC000833038994 601878844 /nfs/dbraw/zinc/87/88/44/601878844.db2.gz BOEJZWBZWIWDJN-UHFFFAOYSA-N -2 0 373.365 2.312 20 0 FEADRL O=C([O-])N1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3)sc2C1 ZINC000740530364 601977618 /nfs/dbraw/zinc/97/76/18/601977618.db2.gz PVHYGSVIBVLNJQ-UHFFFAOYSA-N -2 0 357.388 2.119 20 0 FEADRL CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000739226085 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ZINC000823712919 604205922 /nfs/dbraw/zinc/20/59/22/604205922.db2.gz LPLGTTOHAPPYES-DOMZBBRYSA-N -2 0 362.407 2.137 20 0 FEADRL C[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824696367 604330535 /nfs/dbraw/zinc/33/05/35/604330535.db2.gz RRZPUKPICOAQEP-AAEUAGOBSA-N -2 0 374.397 2.385 20 0 FEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccn1 ZINC000832869426 604338903 /nfs/dbraw/zinc/33/89/03/604338903.db2.gz UFGXYELMCSHGOZ-UHFFFAOYSA-N -2 0 358.379 2.279 20 0 FEADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833691226 604688262 /nfs/dbraw/zinc/68/82/62/604688262.db2.gz NYDDDUFJLIGRDE-UHFFFAOYSA-N -2 0 355.803 2.300 20 0 FEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C(=O)[O-])cc1F ZINC000833738206 604695709 /nfs/dbraw/zinc/69/57/09/604695709.db2.gz SQCYOHBHJKDKET-UHFFFAOYSA-N -2 0 367.354 2.252 20 0 FEADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(OC)c1C(=O)[O-] ZINC000833734421 604859255 /nfs/dbraw/zinc/85/92/55/604859255.db2.gz 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O=C([O-])N[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834122431 606048761 /nfs/dbraw/zinc/04/87/61/606048761.db2.gz LOWAGQDATXEAGQ-DLBZAZTESA-N -2 0 368.389 2.424 20 0 FEADRL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCN(C(=O)[O-])CC1 ZINC000834060338 606050219 /nfs/dbraw/zinc/05/02/19/606050219.db2.gz PNLWZVKPLUVDRE-UHFFFAOYSA-N -2 0 370.352 2.158 20 0 FEADRL O=C([O-])Nc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1 ZINC000834255921 606050906 /nfs/dbraw/zinc/05/09/06/606050906.db2.gz MNMIJKPXZNIMAZ-IBGZPJMESA-N -2 0 354.362 2.362 20 0 FEADRL O=C([O-])C[C@@H]1CSCCN1C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000834061263 606051434 /nfs/dbraw/zinc/05/14/34/606051434.db2.gz RTPBHFHLWAMQSC-ZIAGYGMSSA-N -2 0 366.439 2.194 20 0 FEADRL O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000834060534 606066207 /nfs/dbraw/zinc/06/62/07/606066207.db2.gz QNTVNLMMYPJLGG-YPMHNXCESA-N -2 0 350.371 2.305 20 0 FEADRL O=C([O-])N[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)Cc1ccccc1 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