smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1CC(=O)N(c2ccc(Oc3cccnc3)cc2)C1 ZINC000065399185 811121126 /nfs/dbraw/zinc/12/11/26/811121126.db2.gz DPNPNCCLOQPRNA-LLVKDONJSA-N -1 0 298.298 2.311 50 0 CEAARM O=C([O-])CNc1cc(-c2ncccc2F)c2cc[nH]c2n1 ZINC000072418675 813271528 /nfs/dbraw/zinc/27/15/28/813271528.db2.gz MPQYSHCOHGMTDM-UHFFFAOYSA-N -1 0 286.266 2.261 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)C(C)(C)c1cccc(F)c1 ZINC000096480382 230380380 /nfs/dbraw/zinc/38/03/80/230380380.db2.gz BZAQQCCNUSROSI-VIFPVBQESA-N -1 0 267.300 2.083 50 0 CEAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000096494263 230383707 /nfs/dbraw/zinc/38/37/07/230383707.db2.gz WUVJXCXYLVHMCH-VGMNWLOBSA-N -1 0 299.729 2.420 50 0 CEAARM Cc1n[n-]c(SCc2ccccc2Cl)nc1=O ZINC000095661349 185017494 /nfs/dbraw/zinc/01/74/94/185017494.db2.gz PERMMGWIZZMFHE-UHFFFAOYSA-N -1 0 267.741 2.419 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC000095948888 185038978 /nfs/dbraw/zinc/03/89/78/185038978.db2.gz FCCAUOXVSPSVTF-GFCCVEGCSA-N -1 0 251.326 2.200 50 0 CEAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000095955756 185042533 /nfs/dbraw/zinc/04/25/33/185042533.db2.gz WWJBHFJZCVIIRZ-VIFPVBQESA-N -1 0 288.303 2.243 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000095961783 185044128 /nfs/dbraw/zinc/04/41/28/185044128.db2.gz ZQDJTDIYZOLGPC-JQWIXIFHSA-N -1 0 281.739 2.252 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000095971411 185048372 /nfs/dbraw/zinc/04/83/72/185048372.db2.gz MSAITIVKJCLANP-CHWSQXEVSA-N -1 0 259.305 2.298 50 0 CEAARM Cc1cc2[nH]c(C(=O)NC[C@@H](C)C(=O)[O-])cc2c(C)c1 ZINC000095970595 185048434 /nfs/dbraw/zinc/04/84/34/185048434.db2.gz YCJMHTKWRRIXPX-SNVBAGLBSA-N -1 0 274.320 2.235 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)CCc1ccsc1 ZINC000095970235 185048469 /nfs/dbraw/zinc/04/84/69/185048469.db2.gz BRXZRJAMIIJNDA-ZDUSSCGKSA-N -1 0 269.366 2.440 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000095971412 185048860 /nfs/dbraw/zinc/04/88/60/185048860.db2.gz MSAITIVKJCLANP-OLZOCXBDSA-N -1 0 259.305 2.298 50 0 CEAARM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccc(F)c(F)c1 ZINC000095989900 185057488 /nfs/dbraw/zinc/05/74/88/185057488.db2.gz OZWJVQGBOOGQJC-GIPNMCIBSA-N -1 0 295.285 2.253 50 0 CEAARM CO[N-]C(=O)COc1ccc(Nc2ccccc2)cc1 ZINC000032848416 361760582 /nfs/dbraw/zinc/76/05/82/361760582.db2.gz OGHUYMYWSXRDTB-UHFFFAOYSA-N -1 0 272.304 2.487 50 0 CEAARM CC(C)(C)OC(=O)NC1CC2(C1)CC(C(=O)[O-])C2 ZINC000032628928 361748048 /nfs/dbraw/zinc/74/80/48/361748048.db2.gz QFGQEEVKWSGRQJ-UHFFFAOYSA-N -1 0 255.314 2.155 50 0 CEAARM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000227354796 295668248 /nfs/dbraw/zinc/66/82/48/295668248.db2.gz WNUHVPFHHBUQRU-MNOVXSKESA-N -1 0 294.376 2.184 50 0 CEAARM Cc1scc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1C ZINC000096752443 185111842 /nfs/dbraw/zinc/11/18/42/185111842.db2.gz YCFGYMGSUWCGSY-SNVBAGLBSA-N -1 0 255.339 2.204 50 0 CEAARM COc1ccc(CCC(=O)[O-])c(Br)c1 ZINC000096884955 185119907 /nfs/dbraw/zinc/11/99/07/185119907.db2.gz ZCBBLKLYHOYPKB-UHFFFAOYSA-N -1 0 259.099 2.475 50 0 CEAARM O=C([O-])CC[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000037588122 361906319 /nfs/dbraw/zinc/90/63/19/361906319.db2.gz WUQOWCPNPTXPLA-AWEZNQCLSA-N -1 0 284.315 2.418 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000037588155 361907287 /nfs/dbraw/zinc/90/72/87/361907287.db2.gz OKHWIZZHUHPPJO-WXHSDQCUSA-N -1 0 261.321 2.365 50 0 CEAARM Cc1cscc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000097022287 185153872 /nfs/dbraw/zinc/15/38/72/185153872.db2.gz AHHWSWSXNORLLO-JTQLQIEISA-N -1 0 253.323 2.040 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000097035655 185157909 /nfs/dbraw/zinc/15/79/09/185157909.db2.gz HRAUHAAFWXFMOQ-GWCFXTLKSA-N -1 0 293.367 2.227 50 0 CEAARM C[C@@]1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CC=CCC1 ZINC000621539646 349628557 /nfs/dbraw/zinc/62/85/57/349628557.db2.gz UCKVXHVXXNFHID-MRXNPFEDSA-N -1 0 289.331 2.379 50 0 CEAARM CCc1cc(C)c(C(=O)NCc2ccc(C(=O)[O-])o2)o1 ZINC000097036063 185166215 /nfs/dbraw/zinc/16/62/15/185166215.db2.gz ZWWUBCIISCSXLV-UHFFFAOYSA-N -1 0 277.276 2.372 50 0 CEAARM CCCCC[C@H](NC(=O)c1occc1C)C(=O)[O-] ZINC000097036368 185166606 /nfs/dbraw/zinc/16/66/06/185166606.db2.gz OGJGTGMQNROXPU-JTQLQIEISA-N -1 0 253.298 2.351 50 0 CEAARM O=C(N[C@H]1CCCSC1)c1cc(F)c(F)c([O-])c1F ZINC000097374938 303963224 /nfs/dbraw/zinc/96/32/24/303963224.db2.gz IKBJCQDUWXQDGD-LURJTMIESA-N -1 0 291.294 2.435 50 0 CEAARM COc1ccc(/C=C(/C#N)C(=O)[O-])c(OC(C)C)c1 ZINC000071896886 539186724 /nfs/dbraw/zinc/18/67/24/539186724.db2.gz KOMNMYFMBILQIB-WDZFZDKYSA-N -1 0 261.277 2.474 50 0 CEAARM O=Cc1cc(-c2ccc(C(=O)[O-])s2)ncc1F ZINC000725261027 539208809 /nfs/dbraw/zinc/20/88/09/539208809.db2.gz GSRAVEXXOQKQQP-UHFFFAOYSA-N -1 0 251.238 2.460 50 0 CEAARM C[C@H](CN(C)C(=O)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000042694859 362110979 /nfs/dbraw/zinc/11/09/79/362110979.db2.gz OKLWACWJHVVBOX-SECBINFHSA-N -1 0 269.728 2.062 50 0 CEAARM CC[C@@H](C(=O)[O-])N(C)C(=O)CCc1ccc(N(C)C)cc1 ZINC000044616663 362155857 /nfs/dbraw/zinc/15/58/57/362155857.db2.gz KIBCJBLPWYKSAF-AWEZNQCLSA-N -1 0 292.379 2.007 50 0 CEAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccccn1 ZINC000006534271 343356183 /nfs/dbraw/zinc/35/61/83/343356183.db2.gz BKSQFRYSINSIHN-NXEZZACHSA-N -1 0 280.711 2.254 50 0 CEAARM CC(C)(C)OC(=O)Nc1ccn2ncc(C(=O)[O-])c2c1 ZINC000685944081 539306842 /nfs/dbraw/zinc/30/68/42/539306842.db2.gz GWKJWULJGAECIT-UHFFFAOYSA-N -1 0 277.280 2.380 50 0 CEAARM COc1ccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)cc1 ZINC000118290910 344291442 /nfs/dbraw/zinc/29/14/42/344291442.db2.gz NZYRJESRKYRUCX-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1 ZINC000146886730 344411067 /nfs/dbraw/zinc/41/10/67/344411067.db2.gz PMCDJGUSDPYPOK-SWLSCSKDSA-N -1 0 287.359 2.257 50 0 CEAARM Cn1cc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cn1 ZINC000158303235 344450794 /nfs/dbraw/zinc/45/07/94/344450794.db2.gz JPXQIFVQICKUHD-AATRIKPKSA-N -1 0 256.261 2.014 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1c1ccccc1 ZINC000212678471 344532209 /nfs/dbraw/zinc/53/22/09/344532209.db2.gz PVCNNNXQTUFXDZ-ZIAGYGMSSA-N -1 0 273.332 2.113 50 0 CEAARM C/C(=C/C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CC1 ZINC000236633885 344596284 /nfs/dbraw/zinc/59/62/84/344596284.db2.gz LHKKUWCZPGZTCH-MEODZPNASA-N -1 0 285.343 2.381 50 0 CEAARM Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)[O-])c1C ZINC000057509289 362582987 /nfs/dbraw/zinc/58/29/87/362582987.db2.gz WUZOYMFKAAPGDF-UHFFFAOYSA-N -1 0 298.302 2.296 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2N(C)C)c(C)o1 ZINC000097164902 185553680 /nfs/dbraw/zinc/55/36/80/185553680.db2.gz DULYKTPIJPSBDM-UHFFFAOYSA-N -1 0 295.364 2.158 50 0 CEAARM O=C([O-])CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000061957841 362700377 /nfs/dbraw/zinc/70/03/77/362700377.db2.gz OQFQQHPHGHOTGO-UHFFFAOYSA-N -1 0 292.722 2.429 50 0 CEAARM CCCc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)[nH]n1 ZINC000236897766 370649614 /nfs/dbraw/zinc/64/96/14/370649614.db2.gz BQWLDUAWLSDVSK-NSHDSACASA-N -1 0 293.367 2.079 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)c(F)c1 ZINC000065288259 362807622 /nfs/dbraw/zinc/80/76/22/362807622.db2.gz VSXBLSIBZCWTJJ-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM CC(C)[C@@H](NC(=O)/C=C\c1cccc2cccnc12)C(=O)[O-] ZINC000606442394 347474203 /nfs/dbraw/zinc/47/42/03/347474203.db2.gz DBKXYKLRNRHFGP-WHLNPGIBSA-N -1 0 298.342 2.473 50 0 CEAARM O=C([O-])c1ccc(-c2ccn(-c3cncnc3)n2)cc1 ZINC000067642954 362915066 /nfs/dbraw/zinc/91/50/66/362915066.db2.gz MCEKEKUCNYHCBT-UHFFFAOYSA-N -1 0 266.260 2.028 50 0 CEAARM COc1ccc(OC2C(=O)N=C(SC)N=C2[O-])cc1 ZINC000090547884 180001862 /nfs/dbraw/zinc/00/18/62/180001862.db2.gz WHSAWOUGBNZSFN-UHFFFAOYSA-N -1 0 280.305 2.411 50 0 CEAARM CCc1nnc(N2CCC[C@@](CC)(C(=O)[O-])C2)s1 ZINC000092028000 180309526 /nfs/dbraw/zinc/30/95/26/180309526.db2.gz JOTXMOSMOSENMF-GFCCVEGCSA-N -1 0 269.370 2.182 50 0 CEAARM O=C([O-])CCCCCCNC(=O)CC[C@@H]1CCCCO1 ZINC000069385167 362964640 /nfs/dbraw/zinc/96/46/40/362964640.db2.gz NYANIQRIORCBNX-ZDUSSCGKSA-N -1 0 285.384 2.487 50 0 CEAARM O=C(Nc1ccc(N2CCCC2)nc1)c1ncccc1[O-] ZINC000069417786 362966765 /nfs/dbraw/zinc/96/67/65/362966765.db2.gz UAFJSHMICFRPQZ-UHFFFAOYSA-N -1 0 284.319 2.035 50 0 CEAARM Cc1nc(CN(C)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000108656783 186225941 /nfs/dbraw/zinc/22/59/41/186225941.db2.gz GPPSHETWCAMSOX-WDEREUQCSA-N -1 0 296.392 2.301 50 0 CEAARM Cc1nn(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000069560844 362979394 /nfs/dbraw/zinc/97/93/94/362979394.db2.gz JAZNYBSIRUEFMN-UHFFFAOYSA-N -1 0 293.392 2.455 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1ocnc1C1CC1 ZINC000630155454 351641283 /nfs/dbraw/zinc/64/12/83/351641283.db2.gz AMZJMVHAIJAMKK-SNVBAGLBSA-N -1 0 278.308 2.021 50 0 CEAARM C[C@@H](CC(=O)Nc1nncc(=O)[n-]1)C1CCCCC1 ZINC000095457339 295831025 /nfs/dbraw/zinc/83/10/25/295831025.db2.gz ZTSYWLQDVPNDAT-VIFPVBQESA-N -1 0 264.329 2.122 50 0 CEAARM C[C@@H](CC(=O)[O-])CC(=O)c1ccc2c(c1)OCCO2 ZINC000043214290 295831295 /nfs/dbraw/zinc/83/12/95/295831295.db2.gz GKZCKEPKRBAALE-SECBINFHSA-N -1 0 264.277 2.141 50 0 CEAARM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000154774945 304027972 /nfs/dbraw/zinc/02/79/72/304027972.db2.gz CNSQXFBTGZCUGE-JGVFFNPUSA-N -1 0 279.258 2.089 50 0 CEAARM C[C@@]1(CNC(=O)c2ccc3[n-]c(=S)oc3c2)CCCO1 ZINC000153046924 188061882 /nfs/dbraw/zinc/06/18/82/188061882.db2.gz OHJRBVWJOKPAJL-AWEZNQCLSA-N -1 0 292.360 2.415 50 0 CEAARM CC(C)(C)c1nc(N2CCSCC2)ncc1C(=O)[O-] ZINC000169751166 539971290 /nfs/dbraw/zinc/97/12/90/539971290.db2.gz FIBQFLWQOSLHGI-UHFFFAOYSA-N -1 0 281.381 2.026 50 0 CEAARM C[C@@]1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCCS1 ZINC000157123514 188298059 /nfs/dbraw/zinc/29/80/59/188298059.db2.gz YTZSWGLZYFKURY-AWEZNQCLSA-N -1 0 279.361 2.400 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000131945184 366102547 /nfs/dbraw/zinc/10/25/47/366102547.db2.gz HXYNUCOWEHRBLM-WCQYABFASA-N -1 0 289.331 2.161 50 0 CEAARM C/C(=C\C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C1CC1 ZINC000271902678 191399932 /nfs/dbraw/zinc/39/99/32/191399932.db2.gz LHKKUWCZPGZTCH-SHQCLWGWSA-N -1 0 285.343 2.381 50 0 CEAARM CC1CCC(C(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC000154791892 540250421 /nfs/dbraw/zinc/25/04/21/540250421.db2.gz GFOVSCSYGSKFOB-MCIGGMRASA-N -1 0 253.342 2.278 50 0 CEAARM CC(C)[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000575616673 366303080 /nfs/dbraw/zinc/30/30/80/366303080.db2.gz XNQCHLFCTZOKEY-JTQLQIEISA-N -1 0 259.334 2.010 50 0 CEAARM Cc1nc(NCCc2cccs2)ncc1C(=O)[O-] ZINC000134337431 366310799 /nfs/dbraw/zinc/31/07/99/366310799.db2.gz WJNAICJOWCDDJL-UHFFFAOYSA-N -1 0 263.322 2.199 50 0 CEAARM CC(C)(C)OC(=O)COc1cccc(C(=O)[O-])c1 ZINC000079069662 363573257 /nfs/dbraw/zinc/57/32/57/363573257.db2.gz BRTRVSNTDAQAIJ-UHFFFAOYSA-N -1 0 252.266 2.105 50 0 CEAARM O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1F ZINC000095066204 538891057 /nfs/dbraw/zinc/89/10/57/538891057.db2.gz RXKBKCDHCVXHTD-LBPRGKRZSA-N -1 0 297.301 2.363 50 0 CEAARM Cc1nc(C)c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)o1 ZINC000136105100 366495379 /nfs/dbraw/zinc/49/53/79/366495379.db2.gz VCUFNBGCZHHLSL-GFCCVEGCSA-N -1 0 288.303 2.237 50 0 CEAARM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccco1 ZINC000178139137 189093352 /nfs/dbraw/zinc/09/33/52/189093352.db2.gz MYWDMEPAADOIHO-UHFFFAOYSA-N -1 0 273.288 2.049 50 0 CEAARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000358713 304097255 /nfs/dbraw/zinc/09/72/55/304097255.db2.gz SYEYVZOVGXYKBL-CYBMUJFWSA-N -1 0 281.267 2.109 50 0 CEAARM COC(=O)c1sccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000000117905 361131746 /nfs/dbraw/zinc/13/17/46/361131746.db2.gz ODJHLNDXHLGNJG-UHFFFAOYSA-N -1 0 299.348 2.364 50 0 CEAARM Cc1cc2nnc(SCC(=O)[O-])n2c2ccccc12 ZINC000000126526 361132664 /nfs/dbraw/zinc/13/26/64/361132664.db2.gz CNPFVMMLQAJTCC-UHFFFAOYSA-N -1 0 273.317 2.368 50 0 CEAARM Cc1sc2ncnc(NCCC(=O)[O-])c2c1C ZINC000000131687 361132720 /nfs/dbraw/zinc/13/27/20/361132720.db2.gz ORTGYBZWTNZDIS-UHFFFAOYSA-N -1 0 251.311 2.195 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(Br)c2)N1 ZINC000000138444 361133384 /nfs/dbraw/zinc/13/33/84/361133384.db2.gz LZVZEQCJORCGOK-IUCAKERBSA-N -1 0 288.166 2.237 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2Br)N1 ZINC000000138396 361133775 /nfs/dbraw/zinc/13/37/75/361133775.db2.gz DRMNRFSHFUTMMM-DTWKUNHWSA-N -1 0 288.166 2.237 50 0 CEAARM O=C([O-])c1ccccc1C(=O)n1cnc2ccccc21 ZINC000000205975 361144803 /nfs/dbraw/zinc/14/48/03/361144803.db2.gz WDPVVFKNYQXQOR-UHFFFAOYSA-N -1 0 266.256 2.423 50 0 CEAARM O=C([O-])c1cccnc1SCC(=O)NC1CCCCC1 ZINC000000217929 361148165 /nfs/dbraw/zinc/14/81/65/361148165.db2.gz HSLPKXXTBRUWBY-UHFFFAOYSA-N -1 0 294.376 2.321 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000000299805 361158177 /nfs/dbraw/zinc/15/81/77/361158177.db2.gz ZVGKSRYCAMAYDG-ZIAGYGMSSA-N -1 0 275.348 2.236 50 0 CEAARM CCOc1ccccc1NC(=O)N=C([O-])C(F)(F)F ZINC000000081897 361125091 /nfs/dbraw/zinc/12/50/91/361125091.db2.gz SGPJGDVCIRWIRO-UHFFFAOYSA-N -1 0 276.214 2.296 50 0 CEAARM CC(C)[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000000545376 361185580 /nfs/dbraw/zinc/18/55/80/361185580.db2.gz HKEVUDPCJJUDCM-JTQLQIEISA-N -1 0 254.261 2.056 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000001465310 361206632 /nfs/dbraw/zinc/20/66/32/361206632.db2.gz VSMYIRFIBDUAEA-NSHDSACASA-N -1 0 275.329 2.174 50 0 CEAARM [O-]c1ccc(Br)nc1Br ZINC000000348083 361163996 /nfs/dbraw/zinc/16/39/96/361163996.db2.gz RKOLKIWJSXSHLV-UHFFFAOYSA-N -1 0 252.893 2.312 50 0 CEAARM O=C1[N-]C(=O)C(=CNc2ccc(Br)cc2)N1 ZINC000002529544 361237643 /nfs/dbraw/zinc/23/76/43/361237643.db2.gz LIBGQMARJBHXGK-VMPITWQZSA-N -1 0 282.097 2.382 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cccc(O)c1 ZINC000002585837 361242237 /nfs/dbraw/zinc/24/22/37/361242237.db2.gz KLIMLFKCLBBZKH-LLVKDONJSA-N -1 0 281.308 2.433 50 0 CEAARM Cc1nc(SCC(=O)[O-])[nH]c1Cc1ccccc1 ZINC000003394845 361277788 /nfs/dbraw/zinc/27/77/88/361277788.db2.gz RJTWMYBWAYDMBS-UHFFFAOYSA-N -1 0 262.334 2.486 50 0 CEAARM Cn1c([O-])c(Cc2cccc3ccccc32)c(=O)n(C)c1=O ZINC000002998120 361261355 /nfs/dbraw/zinc/26/13/55/361261355.db2.gz QMUOMEHSESLNCG-UHFFFAOYSA-N -1 0 296.326 2.049 50 0 CEAARM CC(C)(C)c1ccc(C(=O)N2CC(C(=O)[O-])C2)cc1 ZINC000004105086 361299647 /nfs/dbraw/zinc/29/96/47/361299647.db2.gz QJOWZMVFJFMEJB-UHFFFAOYSA-N -1 0 261.321 2.141 50 0 CEAARM Cc1ccn([C@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])n1 ZINC000004125020 361301947 /nfs/dbraw/zinc/30/19/47/361301947.db2.gz JXSHVOIQYIVGET-CYBMUJFWSA-N -1 0 272.304 2.399 50 0 CEAARM COc1ccc(Cl)cc1NC(=O)/C(C)=C\C(=O)[O-] ZINC000004263913 361307320 /nfs/dbraw/zinc/30/73/20/361307320.db2.gz PPILRRVNXUKOLF-ALCCZGGFSA-N -1 0 269.684 2.318 50 0 CEAARM C[C@@H](CC(=O)[O-])CC(=O)NCCC1=CCCCC1 ZINC000004680931 361325574 /nfs/dbraw/zinc/32/55/74/361325574.db2.gz GTAKQHFORHTDFY-LLVKDONJSA-N -1 0 253.342 2.494 50 0 CEAARM C[C@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC000004992564 361330737 /nfs/dbraw/zinc/33/07/37/361330737.db2.gz RJJYVENWLDQYPA-ZETCQYMHSA-N -1 0 257.249 2.261 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000011891569 361368729 /nfs/dbraw/zinc/36/87/29/361368729.db2.gz ZTTOINVWNMXBLV-UHFFFAOYSA-N -1 0 285.702 2.416 50 0 CEAARM O=c1[n-]c(Nc2ccccc2O)nnc1-c1ccccc1 ZINC000011905816 361368911 /nfs/dbraw/zinc/36/89/11/361368911.db2.gz FOVRAGVCLZTNLE-UHFFFAOYSA-N -1 0 280.287 2.281 50 0 CEAARM COc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1 ZINC000011730547 361362243 /nfs/dbraw/zinc/36/22/43/361362243.db2.gz JCZLFKYQOJBJIU-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM Cc1ccc(N(C)C(=O)c2cccnc2)c(C(=O)[O-])c1 ZINC000012421342 361384623 /nfs/dbraw/zinc/38/46/23/361384623.db2.gz NDAOSXUEAMFNCZ-UHFFFAOYSA-N -1 0 270.288 2.365 50 0 CEAARM COc1cccc(C(=O)[O-])c1OCc1ccccn1 ZINC000012650293 361394886 /nfs/dbraw/zinc/39/48/86/361394886.db2.gz HYCWVGFPFTZSDP-UHFFFAOYSA-N -1 0 259.261 2.367 50 0 CEAARM CCn1ccc(-c2cc(C(=O)[O-])c3c(C)noc3n2)n1 ZINC000012396879 361382252 /nfs/dbraw/zinc/38/22/52/361382252.db2.gz UCSHNFATGLTGLG-UHFFFAOYSA-N -1 0 272.264 2.113 50 0 CEAARM CC(C)NC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000012403802 361382275 /nfs/dbraw/zinc/38/22/75/361382275.db2.gz DAQDAPQJZVHTAB-UHFFFAOYSA-N -1 0 292.335 2.018 50 0 CEAARM CCN(Cc1c(F)cccc1F)C(=O)C1(C(=O)[O-])CC1 ZINC000154847362 366794072 /nfs/dbraw/zinc/79/40/72/366794072.db2.gz RKDPPYAPTLTVNV-UHFFFAOYSA-N -1 0 283.274 2.178 50 0 CEAARM CCCCc1c([O-])nc2[nH]c3ccccc3n2c1=O ZINC000013152815 361420515 /nfs/dbraw/zinc/42/05/15/361420515.db2.gz UWVFRPJSBHLPDO-UHFFFAOYSA-N -1 0 257.293 2.224 50 0 CEAARM C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N1CCC(C)CC1 ZINC000013412940 361427992 /nfs/dbraw/zinc/42/79/92/361427992.db2.gz JEGYITCQSSIYSE-LBPRGKRZSA-N -1 0 291.347 2.411 50 0 CEAARM Cc1oc2ncn(Cc3cccc(C)c3)c(=O)c2c1C(=O)[O-] ZINC000013057148 361417667 /nfs/dbraw/zinc/41/76/67/361417667.db2.gz ZMKZHENXEHOAOB-UHFFFAOYSA-N -1 0 298.298 2.353 50 0 CEAARM COc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1OC ZINC000015441795 361474007 /nfs/dbraw/zinc/47/40/07/361474007.db2.gz NPZZXAUEEDAGQB-VIFPVBQESA-N -1 0 266.293 2.387 50 0 CEAARM CC(C)(C)C(=O)Nc1ccnc(Cl)c1C(=O)[O-] ZINC000014400950 361457794 /nfs/dbraw/zinc/45/77/94/361457794.db2.gz FOGOGWIZSINXEC-UHFFFAOYSA-N -1 0 256.689 2.418 50 0 CEAARM Cc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(F)cc1 ZINC000018222469 361516564 /nfs/dbraw/zinc/51/65/64/361516564.db2.gz NBWIIYIGFWOMEF-UHFFFAOYSA-N -1 0 257.268 2.446 50 0 CEAARM Cc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000018222451 361516706 /nfs/dbraw/zinc/51/67/06/361516706.db2.gz KFBBNQZIPYBGHB-UHFFFAOYSA-N -1 0 254.293 2.038 50 0 CEAARM O=C([O-])[C@H]1CS[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1 ZINC000019737373 361550284 /nfs/dbraw/zinc/55/02/84/361550284.db2.gz ZBMFNZYBCQOJMY-ZYHUDNBSSA-N -1 0 293.323 2.004 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000019981820 361572925 /nfs/dbraw/zinc/57/29/25/361572925.db2.gz KPDQYWXXBXYFHQ-VIFPVBQESA-N -1 0 266.272 2.154 50 0 CEAARM Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000019981680 361573106 /nfs/dbraw/zinc/57/31/06/361573106.db2.gz MKHLPFHXPDCNNR-LLVKDONJSA-N -1 0 262.309 2.324 50 0 CEAARM O=S(=O)([N-]c1ccc2c(c1)CCO2)c1cccs1 ZINC000026543638 361643504 /nfs/dbraw/zinc/64/35/04/361643504.db2.gz JCERHWAJVJSXBZ-UHFFFAOYSA-N -1 0 281.358 2.484 50 0 CEAARM CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000090122989 364042241 /nfs/dbraw/zinc/04/22/41/364042241.db2.gz FSNNRIRDLSMTPM-UHFFFAOYSA-N -1 0 287.319 2.470 50 0 CEAARM COc1cccc([C@@H](C)CC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000237301699 370709144 /nfs/dbraw/zinc/70/91/44/370709144.db2.gz XKDAFOSPVQHIIP-SMDDNHRTSA-N -1 0 291.347 2.264 50 0 CEAARM COc1cccc([C@H](C)CC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000237322955 370710847 /nfs/dbraw/zinc/71/08/47/370710847.db2.gz XKDAFOSPVQHIIP-RISCZKNCSA-N -1 0 291.347 2.264 50 0 CEAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237359891 370714783 /nfs/dbraw/zinc/71/47/83/370714783.db2.gz XYJWBUZTIKDVCX-NSHDSACASA-N -1 0 293.338 2.328 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000237956481 370762555 /nfs/dbraw/zinc/76/25/55/370762555.db2.gz UKRIIPZPZCRDRE-NSHDSACASA-N -1 0 281.739 2.206 50 0 CEAARM Cc1sc(NC(=O)CN2CCC[C@@H]2C(=O)[O-])c(C)c1C ZINC000237707346 370746814 /nfs/dbraw/zinc/74/68/14/370746814.db2.gz IGFVNEAHVHOHMG-LLVKDONJSA-N -1 0 296.392 2.161 50 0 CEAARM Cc1ccc2c(c1)N(C(=O)c1ccc(C(=O)[O-])o1)CC2 ZINC000237851789 370754587 /nfs/dbraw/zinc/75/45/87/370754587.db2.gz NYUOMADWGZWDJS-UHFFFAOYSA-N -1 0 271.272 2.489 50 0 CEAARM O=C([O-])CCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000238163525 370773206 /nfs/dbraw/zinc/77/32/06/370773206.db2.gz KHGFDIHWTBMLSE-GFCCVEGCSA-N -1 0 287.718 2.327 50 0 CEAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccoc1 ZINC000094744033 364290395 /nfs/dbraw/zinc/29/03/95/364290395.db2.gz UZOBMAYDHZWTRW-MNOVXSKESA-N -1 0 251.282 2.043 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000095389821 364355128 /nfs/dbraw/zinc/35/51/28/364355128.db2.gz WLXCBIRLBKARNU-IUCAKERBSA-N -1 0 281.274 2.336 50 0 CEAARM O=C([O-])CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000095424241 364370921 /nfs/dbraw/zinc/37/09/21/364370921.db2.gz ZBMILYLGPSEJPL-LBPRGKRZSA-N -1 0 261.321 2.088 50 0 CEAARM O=C([O-])c1cnoc1-c1cnn(-c2ccccc2)c1 ZINC000095884115 364392905 /nfs/dbraw/zinc/39/29/05/364392905.db2.gz HSIHBJJDFZNMTJ-UHFFFAOYSA-N -1 0 255.233 2.226 50 0 CEAARM CC(C)CCn1cc([C@@H](C(=O)[O-])N2CCSCC2)cn1 ZINC000095357512 364345002 /nfs/dbraw/zinc/34/50/02/364345002.db2.gz UULIIVUEDXEFJG-ZDUSSCGKSA-N -1 0 297.424 2.104 50 0 CEAARM CCCNc1cccc(F)c1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000097047765 364432275 /nfs/dbraw/zinc/43/22/75/364432275.db2.gz AIGGDVKFHDITFL-UHFFFAOYSA-N -1 0 298.343 2.172 50 0 CEAARM C[C@]1(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCCS1 ZINC000157122107 366841479 /nfs/dbraw/zinc/84/14/79/366841479.db2.gz UEGOGOBDLQSVME-UHIISALHSA-N -1 0 285.409 2.279 50 0 CEAARM Cc1noc([C@@H](C)N(C)Cc2cccc(C(=O)[O-])c2)n1 ZINC000097179438 364474104 /nfs/dbraw/zinc/47/41/04/364474104.db2.gz KCSUXGWOLODRSA-SECBINFHSA-N -1 0 275.308 2.269 50 0 CEAARM CC1=C[C@H](C)[C@H](C(=O)[O-])[C@H](C(=O)NCc2cccnc2)C1 ZINC000102667473 364603955 /nfs/dbraw/zinc/60/39/55/364603955.db2.gz BWUMIDKCCNRFQN-YUTCNCBUSA-N -1 0 288.347 2.001 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000241644390 370783577 /nfs/dbraw/zinc/78/35/77/370783577.db2.gz PQIPPZYBTCMXBF-JFUSQASVSA-N -1 0 265.284 2.114 50 0 CEAARM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C(=O)[O-])CC1 ZINC000119000638 365199352 /nfs/dbraw/zinc/19/93/52/365199352.db2.gz TYKKFKNJNSTBCZ-ZYHUDNBSSA-N -1 0 291.322 2.395 50 0 CEAARM O=C(/C=C/C1CCOCC1)Nc1ccc(O)cc1F ZINC000170599384 367384281 /nfs/dbraw/zinc/38/42/81/367384281.db2.gz PCKTXJISXOPKQM-DAFODLJHSA-N -1 0 265.284 2.453 50 0 CEAARM Fc1ccc(-c2noc(=N[C@H]3CCCn4nccc43)[n-]2)cc1 ZINC000631594446 367427223 /nfs/dbraw/zinc/42/72/23/367427223.db2.gz VWKGBVARSNBRLA-LBPRGKRZSA-N -1 0 299.309 2.441 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2C(F)(F)F)N1 ZINC000000138434 304137905 /nfs/dbraw/zinc/13/79/05/304137905.db2.gz SCJJREXUFWLWRG-DTWKUNHWSA-N -1 0 277.267 2.494 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000262582684 304146540 /nfs/dbraw/zinc/14/65/40/304146540.db2.gz FYXJNXTYCJHNGV-FXPVBKGRSA-N -1 0 295.335 2.200 50 0 CEAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)C(C)(C)C ZINC000187530628 369174434 /nfs/dbraw/zinc/17/44/34/369174434.db2.gz OLMRFZPIFGXPTQ-UHFFFAOYSA-N -1 0 279.336 2.155 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccco1 ZINC000021954225 304147752 /nfs/dbraw/zinc/14/77/52/304147752.db2.gz FMFZYAAQXTYAHS-VWYCJHECSA-N -1 0 263.293 2.138 50 0 CEAARM CCCc1noc2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000000197481 284125614 /nfs/dbraw/zinc/12/56/14/284125614.db2.gz DNSXIHZQFHIVOQ-NSHDSACASA-N -1 0 265.309 2.181 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1ccccc1C ZINC000348960184 369210069 /nfs/dbraw/zinc/21/00/69/369210069.db2.gz BQZOAPDZQRPJKN-GFCCVEGCSA-N -1 0 299.392 2.010 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CC(F)(F)F ZINC000250887158 304148613 /nfs/dbraw/zinc/14/86/13/304148613.db2.gz WRGRGCHVFNVGRG-HLTSFMKQSA-N -1 0 279.258 2.183 50 0 CEAARM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000190484152 369628499 /nfs/dbraw/zinc/62/84/99/369628499.db2.gz HKWYOZPAKUPXQK-CABZTGNLSA-N -1 0 294.351 2.108 50 0 CEAARM Cc1nnc([C@@H]2CCCN2Cc2ccccc2C(=O)[O-])[nH]1 ZINC000215001951 370171334 /nfs/dbraw/zinc/17/13/34/370171334.db2.gz UTCKBIZZUIAKLS-ZDUSSCGKSA-N -1 0 286.335 2.148 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000195542095 370139840 /nfs/dbraw/zinc/13/98/40/370139840.db2.gz QCQXITRXVGUWNX-XROYCOCOSA-N -1 0 267.712 2.033 50 0 CEAARM Cc1cccc([C@H](NC(=O)CCc2cccnc2)C(=O)[O-])c1 ZINC000222828930 370256870 /nfs/dbraw/zinc/25/68/70/370256870.db2.gz WAIDBKKXJPPCKX-INIZCTEOSA-N -1 0 298.342 2.265 50 0 CEAARM CCCCO[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236840627 370638743 /nfs/dbraw/zinc/63/87/43/370638743.db2.gz HXRGJKSXKXMOLQ-QWHCGFSZSA-N -1 0 285.384 2.438 50 0 CEAARM CCOC[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000236978971 189856570 /nfs/dbraw/zinc/85/65/70/189856570.db2.gz AYPCJCDABPXVRJ-LBPRGKRZSA-N -1 0 291.347 2.274 50 0 CEAARM CCC(=O)N(CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000252497538 371447179 /nfs/dbraw/zinc/44/71/79/371447179.db2.gz QKBNAPOLXLKYBU-UHFFFAOYSA-N -1 0 261.730 2.225 50 0 CEAARM Cc1cc(C)c(C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000268931057 372292677 /nfs/dbraw/zinc/29/26/77/372292677.db2.gz JXLCVQYFUFZBGA-UHFFFAOYSA-N -1 0 265.309 2.270 50 0 CEAARM C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000237587037 189883024 /nfs/dbraw/zinc/88/30/24/189883024.db2.gz DPLHMNNHZLUFTI-YFKPBYRVSA-N -1 0 279.189 2.047 50 0 CEAARM C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000269203159 372376176 /nfs/dbraw/zinc/37/61/76/372376176.db2.gz SBDMOFANDHMZJG-ZJNQMXKESA-N -1 0 277.295 2.162 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000237639835 189885472 /nfs/dbraw/zinc/88/54/72/189885472.db2.gz GQBJPOXBONJXFZ-HNNXBMFYSA-N -1 0 291.322 2.181 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000049466600 304174564 /nfs/dbraw/zinc/17/45/64/304174564.db2.gz DYUIYZKUYIIHPN-DZGCQCFKSA-N -1 0 285.299 2.454 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1 ZINC000009236149 304174812 /nfs/dbraw/zinc/17/48/12/304174812.db2.gz FVBSOAINVQLYHJ-LBPRGKRZSA-N -1 0 255.273 2.277 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000236959198 284407897 /nfs/dbraw/zinc/40/78/97/284407897.db2.gz KRNHTDABUUHVSL-IUCAKERBSA-N -1 0 283.274 2.001 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc2cc[nH]c21 ZINC000088731008 304179121 /nfs/dbraw/zinc/17/91/21/304179121.db2.gz JIVUCPNCOUYZOJ-GFCCVEGCSA-N -1 0 272.304 2.247 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000097009450 304193990 /nfs/dbraw/zinc/19/39/90/304193990.db2.gz 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CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000006623487 170219853 /nfs/dbraw/zinc/21/98/53/170219853.db2.gz ZLEPRTMJIRITBS-UHFFFAOYSA-N -1 0 290.344 2.393 50 0 CEAARM O=C([O-])c1ccc([C@@H](O)[C@@H](O)c2ccccc2)cc1 ZINC000006624010 170219934 /nfs/dbraw/zinc/21/99/34/170219934.db2.gz KLYIEQHUHIVICV-UONOGXRCSA-N -1 0 258.273 2.152 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cn1 ZINC000006698895 170227866 /nfs/dbraw/zinc/22/78/66/170227866.db2.gz SCMYTCVLAUPYPR-UHFFFAOYSA-N -1 0 283.328 2.151 50 0 CEAARM CC[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000006703696 170230632 /nfs/dbraw/zinc/23/06/32/170230632.db2.gz OHPNNFKJNWAKTO-SECBINFHSA-N -1 0 251.282 2.135 50 0 CEAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000006706604 170231118 /nfs/dbraw/zinc/23/11/18/170231118.db2.gz HTDPVOWVEKCQOW-UHFFFAOYSA-N -1 0 282.321 2.183 50 0 CEAARM COc1cc(C=O)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000006850632 170249223 /nfs/dbraw/zinc/24/92/23/170249223.db2.gz AHSGDLPBDMUJBG-LURJTMIESA-N -1 0 258.657 2.013 50 0 CEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000007708157 170298585 /nfs/dbraw/zinc/29/85/85/170298585.db2.gz CUJHPCGOJYKGQI-UHFFFAOYSA-N -1 0 279.365 2.146 50 0 CEAARM O=C([O-])c1ccc(NC(=O)COc2ccccc2)cc1O ZINC000008189795 170323599 /nfs/dbraw/zinc/32/35/99/170323599.db2.gz CQRILTXDNPGAPO-UHFFFAOYSA-N -1 0 287.271 2.108 50 0 CEAARM Cc1cc2nc(C)c(Cc3ccccc3)c(=O)n2[n-]1 ZINC000008772854 170355433 /nfs/dbraw/zinc/35/54/33/170355433.db2.gz PJJFZIDTNIVQME-UHFFFAOYSA-N -1 0 253.305 2.230 50 0 CEAARM COc1cc(C(=O)[O-])ccc1OCc1ccncc1 ZINC000009060787 170362482 /nfs/dbraw/zinc/36/24/82/170362482.db2.gz ZNQJGQATCFPJFL-UHFFFAOYSA-N -1 0 259.261 2.367 50 0 CEAARM Cc1ccc(-n2cnnc2SCC(=O)[O-])cc1C ZINC000009322542 170372232 /nfs/dbraw/zinc/37/22/32/170372232.db2.gz TWBVSMCHVMTEOI-UHFFFAOYSA-N -1 0 263.322 2.061 50 0 CEAARM CCCn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000009358630 170373941 /nfs/dbraw/zinc/37/39/41/170373941.db2.gz VFMWHWROUGBLFU-UHFFFAOYSA-N -1 0 280.349 2.486 50 0 CEAARM O=C([O-])CCC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000012954541 170522965 /nfs/dbraw/zinc/52/29/65/170522965.db2.gz JBHZCNZCQPNDNW-UHFFFAOYSA-N -1 0 277.305 2.008 50 0 CEAARM COc1cccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000013442614 170550559 /nfs/dbraw/zinc/55/05/59/170550559.db2.gz UETMUHGBKVHCKU-UHFFFAOYSA-N -1 0 299.326 2.366 50 0 CEAARM O=C([O-])CCCCCCN1C(=O)c2ccccc2C1=O ZINC000019512943 170821100 /nfs/dbraw/zinc/82/11/00/170821100.db2.gz KIPFPUCUWBTAQK-UHFFFAOYSA-N -1 0 275.304 2.318 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1c(F)cccc1Cl ZINC000020305019 171141671 /nfs/dbraw/zinc/14/16/71/171141671.db2.gz CLUVUQKJFSEEGN-NSHDSACASA-N -1 0 285.702 2.097 50 0 CEAARM Cc1cc(C)nc([N-]c2nc3n(n2)CNc2ccccc2-3)n1 ZINC000022607170 171393873 /nfs/dbraw/zinc/39/38/73/171393873.db2.gz WDCRUQQWEVRZIO-UHFFFAOYSA-N -1 0 293.334 2.479 50 0 CEAARM CCc1cccc(C)c1N(C(=O)C(=O)[O-])[C@@H](C)COC ZINC000034751487 171865528 /nfs/dbraw/zinc/86/55/28/171865528.db2.gz LNOOSYCKMKZOJB-NSHDSACASA-N -1 0 279.336 2.010 50 0 in-vitro CEAARM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccccc1 ZINC000035306778 172120254 /nfs/dbraw/zinc/12/02/54/172120254.db2.gz PVPBGHQOJFJQNF-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM CCCN(CCC)C(=O)c1cccc(C(=O)[O-])n1 ZINC000036756697 172680677 /nfs/dbraw/zinc/68/06/77/172680677.db2.gz KDWUTYOSKGFYRS-UHFFFAOYSA-N -1 0 250.298 2.042 50 0 CEAARM Cc1ccc(CCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000037433312 173204019 /nfs/dbraw/zinc/20/40/19/173204019.db2.gz NLOGXWWQFNCZEF-UHFFFAOYSA-N -1 0 275.348 2.251 50 0 CEAARM Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436221 173207647 /nfs/dbraw/zinc/20/76/47/173207647.db2.gz AURZXKGKQKOTBH-LLVKDONJSA-N -1 0 286.331 2.413 50 0 CEAARM O=C([O-])C1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000037561287 173271328 /nfs/dbraw/zinc/27/13/28/173271328.db2.gz KAFBIPIMEMBLJM-UHFFFAOYSA-N -1 0 283.274 2.338 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000038025752 174010653 /nfs/dbraw/zinc/01/06/53/174010653.db2.gz CVUAPLMQZZFCLZ-VXGBXAGGSA-N -1 0 251.326 2.199 50 0 CEAARM CSCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528816 174143973 /nfs/dbraw/zinc/14/39/73/174143973.db2.gz BAEQTHFWJCXUCC-LLVKDONJSA-N -1 0 263.359 2.108 50 0 CEAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2-n2cccc2)cc1 ZINC000040478878 174283134 /nfs/dbraw/zinc/28/31/34/174283134.db2.gz UGXVIISCRNTYRE-UHFFFAOYSA-N -1 0 298.302 2.155 50 0 CEAARM O=C([O-])[C@H](NC(=O)N1CCCCCC1)c1ccccc1 ZINC000040531280 174317257 /nfs/dbraw/zinc/31/72/57/174317257.db2.gz ZFVRJNRZCJOOEM-CYBMUJFWSA-N -1 0 276.336 2.398 50 0 CEAARM Cc1cccc(C(=O)N[C@H](CC(C)(C)C)C(=O)[O-])n1 ZINC000401274897 414752109 /nfs/dbraw/zinc/75/21/09/414752109.db2.gz PAJANIUVTSJHJP-LLVKDONJSA-N -1 0 264.325 2.009 50 0 CEAARM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(F)cc1C ZINC000126874306 414802192 /nfs/dbraw/zinc/80/21/92/414802192.db2.gz CUJKDZQUXYDMMV-NSHDSACASA-N -1 0 253.273 2.069 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000043583408 175070522 /nfs/dbraw/zinc/07/05/22/175070522.db2.gz KBKWPLJVJIIFCV-JTQLQIEISA-N -1 0 267.350 2.465 50 0 CEAARM Cc1cc(NS(=O)(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000044750154 175244878 /nfs/dbraw/zinc/24/48/78/175244878.db2.gz CWVWZFHIBUIPGC-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM Cc1cccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000050162200 175510628 /nfs/dbraw/zinc/51/06/28/175510628.db2.gz SSZNKXLTXQMKLR-ZDUSSCGKSA-N -1 0 261.321 2.003 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000062913769 175677654 /nfs/dbraw/zinc/67/76/54/175677654.db2.gz IKNGMJVXXAXYOO-KRWDZBQOSA-N -1 0 287.359 2.041 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nnc(C2CCC2)s1 ZINC000071288345 176110502 /nfs/dbraw/zinc/11/05/02/176110502.db2.gz LVVXJNPHRGBYQE-YUMQZZPRSA-N -1 0 295.364 2.101 50 0 CEAARM CC(C)c1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000072115884 176318710 /nfs/dbraw/zinc/31/87/10/176318710.db2.gz FNAGZPDCTZFPMN-DTWKUNHWSA-N -1 0 297.380 2.491 50 0 CEAARM CCC(=O)Nc1cccc([C@@H]2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000072193700 176337193 /nfs/dbraw/zinc/33/71/93/176337193.db2.gz ZTZFSUWOLAYZPS-JQWIXIFHSA-N -1 0 275.304 2.182 50 0 CEAARM CC(=O)N1CCC[C@H]1c1cc(CCC(=O)[O-])cc(C)n1 ZINC000072344310 176373335 /nfs/dbraw/zinc/37/33/35/176373335.db2.gz FNSJKWVENGXLFG-AWEZNQCLSA-N -1 0 276.336 2.091 50 0 CEAARM CCOc1ccccc1CNC(=O)C1(C(=O)[O-])CC=CC1 ZINC000656852158 415889767 /nfs/dbraw/zinc/88/97/67/415889767.db2.gz KYZYYWQTMSRIBI-UHFFFAOYSA-N -1 0 289.331 2.123 50 0 CEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000213719947 265089176 /nfs/dbraw/zinc/08/91/76/265089176.db2.gz SGOQCPZJLMWBIK-FUBJMXQYSA-N -1 0 289.331 2.349 50 0 CEAARM CC(=O)N1[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c2C1(C)C ZINC000000846555 278075639 /nfs/dbraw/zinc/07/56/39/278075639.db2.gz JOMSVTQPEFGELV-ZDUSSCGKSA-N -1 0 286.331 2.261 50 0 CEAARM CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1sccc1C)C(=O)[O-] ZINC000097035862 288018791 /nfs/dbraw/zinc/01/87/91/288018791.db2.gz BGQVJXHHPHWTCU-AEJSXWLSSA-N -1 0 267.350 2.139 50 0 CEAARM CC(C)(NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000095956924 278630535 /nfs/dbraw/zinc/63/05/35/278630535.db2.gz CVRVOOIXWKYGAV-SFYZADRCSA-N -1 0 281.274 2.335 50 0 CEAARM Cc1nn2c([n-]1)c1c3c(sc1nc2=O)CC[C@H](C)C3 ZINC000024544733 279120496 /nfs/dbraw/zinc/12/04/96/279120496.db2.gz UKUPBUBWMFFURP-LURJTMIESA-N -1 0 274.349 2.478 50 0 CEAARM CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1ccccc1F ZINC000035111863 280099269 /nfs/dbraw/zinc/09/92/69/280099269.db2.gz MKSUAKXPYFNVQD-AAEUAGOBSA-N -1 0 297.351 2.450 50 0 CEAARM CC1=CC[C@H](C(=O)[O-])[C@H](C(=O)NC2CCCCC2)C1 ZINC000000377622 281685588 /nfs/dbraw/zinc/68/55/88/281685588.db2.gz VQURAOWMDIMNCC-QWHCGFSZSA-N -1 0 265.353 2.492 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000170672409 289586048 /nfs/dbraw/zinc/58/60/48/289586048.db2.gz YATIFICCVFNXGI-RKDXNWHRSA-N -1 0 283.274 2.001 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000037932254 289586639 /nfs/dbraw/zinc/58/66/39/289586639.db2.gz JFFNHLNXYKSYIS-ZFWWWQNUSA-N -1 0 291.347 2.087 50 0 CEAARM COc1ccc(-c2nccn3cc(C(=O)[O-])nc23)cc1 ZINC000169676674 295049117 /nfs/dbraw/zinc/04/91/17/295049117.db2.gz AHEJHLOSCVUYKD-UHFFFAOYSA-N -1 0 269.260 2.103 50 0 CEAARM C[C@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000004812644 300856168 /nfs/dbraw/zinc/85/61/68/300856168.db2.gz LNCSDWDMZZWUBD-PAKWTWCKSA-N -1 0 297.310 2.086 50 0 CEAARM Cc1c(C(=O)[O-])cnn1-c1nc2ccccc2s1 ZINC000011850955 300949577 /nfs/dbraw/zinc/94/95/77/300949577.db2.gz RJAMSTZQPZIKJZ-UHFFFAOYSA-N -1 0 259.290 2.489 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C(F)(F)F)cc1 ZINC000037335162 300949869 /nfs/dbraw/zinc/94/98/69/300949869.db2.gz ILYMWKDTMPPUEK-UHFFFAOYSA-N -1 0 271.198 2.293 50 0 CEAARM Cc1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cnn1C ZINC000017022616 300978576 /nfs/dbraw/zinc/97/85/76/300978576.db2.gz WWRRDDDDGJEAFR-NEPJUHHUSA-N -1 0 291.351 2.114 50 0 CEAARM Cc1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cnn1C ZINC000017022625 300979922 /nfs/dbraw/zinc/97/99/22/300979922.db2.gz WWRRDDDDGJEAFR-NWDGAFQWSA-N -1 0 291.351 2.114 50 0 CEAARM Cc1ccc(-c2cc(=O)n3nc(C(F)(F)F)[n-]c3n2)cc1 ZINC000100482390 301466378 /nfs/dbraw/zinc/46/63/78/301466378.db2.gz VKXUMPAVEKYLGV-UHFFFAOYSA-N -1 0 294.236 2.412 50 0 CEAARM Cc1ccc2nc(C(F)(F)F)n(CC(=O)[O-])c2c1 ZINC000014628958 301924594 /nfs/dbraw/zinc/92/45/94/301924594.db2.gz BTGYQHFVUWQYJD-UHFFFAOYSA-N -1 0 258.199 2.448 50 0 CEAARM Cc1cccc(C)c1NC(=O)CSCC(=O)[O-] ZINC000000312950 301972768 /nfs/dbraw/zinc/97/27/68/301972768.db2.gz QPCJCZZVHHYVOK-UHFFFAOYSA-N -1 0 253.323 2.060 50 0 CEAARM Cc1cn(C)c(CC(=O)NC2CCCCCC2)c1C(=O)[O-] ZINC000064980538 302317826 /nfs/dbraw/zinc/31/78/26/302317826.db2.gz GGAKSZBQXWGQMQ-UHFFFAOYSA-N -1 0 292.379 2.413 50 0 CEAARM Cc1nc2ccccc2c(=O)n1-c1cccc(C(=O)[O-])c1 ZINC000005943311 302665155 /nfs/dbraw/zinc/66/51/55/302665155.db2.gz HOMJIFVZLRHHHM-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM Cc1nn(-c2nc3ccc(C)cc3s2)nc1C(=O)[O-] ZINC000085345251 302727963 /nfs/dbraw/zinc/72/79/63/302727963.db2.gz ZIGFUNNEYCUUSH-UHFFFAOYSA-N -1 0 274.305 2.192 50 0 CEAARM CCN(C(=O)c1cnc(C(=O)[O-])cn1)c1cccc(C)c1C ZINC000563212346 313723800 /nfs/dbraw/zinc/72/38/00/313723800.db2.gz YHNGPYUQKLALNK-UHFFFAOYSA-N -1 0 299.330 2.458 50 0 CEAARM Cc1cc(C)n(C2CN(Cc3cccc(C(=O)[O-])c3)C2)n1 ZINC000534590260 328317769 /nfs/dbraw/zinc/31/77/69/328317769.db2.gz YKZHCRHBFWFUPQ-UHFFFAOYSA-N -1 0 285.347 2.255 50 0 CEAARM Cc1cc2occ(CC(=O)N3CC=C[C@@H]3C(=O)[O-])c2c(C)c1 ZINC000534633681 328332932 /nfs/dbraw/zinc/33/29/32/328332932.db2.gz YQMIJBZXJYQDEV-CYBMUJFWSA-N -1 0 299.326 2.444 50 0 CEAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)ccn1C ZINC000534676044 328356145 /nfs/dbraw/zinc/35/61/45/328356145.db2.gz AJDVZFPGDFRKGG-CQSZACIVSA-N -1 0 286.331 2.198 50 0 CEAARM O=C([O-])CCCN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172067528 534488563 /nfs/dbraw/zinc/48/85/63/534488563.db2.gz BZNQQSZJCJEDKG-ZDUSSCGKSA-N -1 0 267.300 2.064 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000068038294 525700628 /nfs/dbraw/zinc/70/06/28/525700628.db2.gz QDCOJHHRVHRBJB-UHFFFAOYSA-N -1 0 282.752 2.266 50 0 CEAARM C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H](C)C(=O)[O-] ZINC000096494266 527525877 /nfs/dbraw/zinc/52/58/77/527525877.db2.gz ACSRUWHATFLEFT-PCYYEKQGSA-N -1 0 265.284 2.066 50 0 CEAARM O=C([O-])CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000062715983 527607669 /nfs/dbraw/zinc/60/76/69/527607669.db2.gz NHURTHMESSUSJX-OAHLLOKOSA-N -1 0 282.299 2.338 50 0 CEAARM CCCc1noc(-c2c([O-])c3ccccc3[nH]c2=O)n1 ZINC000065248344 538826162 /nfs/dbraw/zinc/82/61/62/538826162.db2.gz QNVYDQABNXTMQJ-UHFFFAOYSA-N -1 0 271.276 2.236 50 0 CEAARM Cc1ncc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000095970103 600644324 /nfs/dbraw/zinc/64/43/24/600644324.db2.gz BNPCPHKCXIOKEY-MVIFTORASA-N -1 0 282.365 2.080 50 0 CEAARM COCc1cc(-c2cc(C(=O)[O-])c(=O)n(C)c2C)cs1 ZINC000952993632 616877227 /nfs/dbraw/zinc/87/72/27/616877227.db2.gz IYFCOYPKKLUNBR-UHFFFAOYSA-N -1 0 293.344 2.267 50 0 CEAARM COc1ccc(CCNC(=S)[S-])cc1OC ZINC000015635979 624753571 /nfs/dbraw/zinc/75/35/71/624753571.db2.gz DLACEQJFVHNJHO-UHFFFAOYSA-N -1 0 257.380 2.051 50 0 CEAARM Cc1ccc([C@H]2Cn3cnc(C(=O)[O-])c3CO2)cc1 ZINC000888088180 628711324 /nfs/dbraw/zinc/71/13/24/628711324.db2.gz PWDOMXDCPFLDBQ-GFCCVEGCSA-N -1 0 258.277 2.161 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)/C=C/c1ccccn1)c1ccccc1 ZINC000095960553 632350870 /nfs/dbraw/zinc/35/08/70/632350870.db2.gz QRFXGJKOXXREAQ-BOLDSZDNSA-N -1 0 296.326 2.427 50 0 CEAARM Cc1cc(C)c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000096479947 230380256 /nfs/dbraw/zinc/38/02/56/230380256.db2.gz JKKYXGFOEBYADP-JTQLQIEISA-N -1 0 253.298 2.126 50 0 CEAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000097018332 230386468 /nfs/dbraw/zinc/38/64/68/230386468.db2.gz XXFMPTPJRPHNHX-BXUZGUMPSA-N -1 0 284.315 2.273 50 0 CEAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000097018327 230386616 /nfs/dbraw/zinc/38/66/16/230386616.db2.gz XXFMPTPJRPHNHX-FZMZJTMJSA-N -1 0 284.315 2.273 50 0 CEAARM COc1ccc([S@@](=O)[O-])cc1Br ZINC000082555387 178090819 /nfs/dbraw/zinc/09/08/19/178090819.db2.gz LFMHRPBIGIGVMR-UHFFFAOYSA-N -1 0 251.101 2.038 50 0 CEAARM Cc1ccc(F)cc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961760 185044868 /nfs/dbraw/zinc/04/48/68/185044868.db2.gz GRZUNWGMPNUVIB-MWLCHTKSSA-N -1 0 265.284 2.117 50 0 CEAARM Cc1ncsc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095969943 185048289 /nfs/dbraw/zinc/04/82/89/185048289.db2.gz ONYDVWRWYBDTBM-UHFFFAOYSA-N -1 0 290.344 2.179 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCc1ccccc1 ZINC000034202521 361787037 /nfs/dbraw/zinc/78/70/37/361787037.db2.gz XQIRATUKSYJTKI-ZDUSSCGKSA-N -1 0 261.321 2.085 50 0 CEAARM CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)s1 ZINC000124409825 365651001 /nfs/dbraw/zinc/65/10/01/365651001.db2.gz RMHIUBHUARWHQE-SECBINFHSA-N -1 0 293.396 2.260 50 0 CEAARM Cc1cc(-c2nc(C)nn2-c2ccccc2C(=O)[O-])on1 ZINC000096139778 185105854 /nfs/dbraw/zinc/10/58/54/185105854.db2.gz SOWLHZSVJHMTDZ-UHFFFAOYSA-N -1 0 284.275 2.237 50 0 CEAARM COc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000037828221 361952423 /nfs/dbraw/zinc/95/24/23/361952423.db2.gz JJXWTAMOXRIWNI-IHRRRGAJSA-N -1 0 289.331 2.079 50 0 CEAARM COc1ccccc1-c1c(C)[n-]n2c1nc1c(c2=O)CCC1 ZINC000022079022 343378522 /nfs/dbraw/zinc/37/85/22/343378522.db2.gz GYCFSJNTLIRCEZ-UHFFFAOYSA-N -1 0 295.342 2.495 50 0 CEAARM CC(C)[C@@H]1OC(=O)N(Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000034555278 343420181 /nfs/dbraw/zinc/42/01/81/343420181.db2.gz PXNKOCGTFYRCJV-NEPJUHHUSA-N -1 0 263.293 2.117 50 0 CEAARM O=C(c1ccccc1O)n1[n-]c(-c2ccccc2)cc1=O ZINC000048547963 343531564 /nfs/dbraw/zinc/53/15/64/343531564.db2.gz BSJMBZOUXRMADE-UHFFFAOYSA-N -1 0 280.283 2.169 50 0 CEAARM Cc1c(C(=O)[N-]C(=O)OC(C)C)cnn1-c1ccccc1 ZINC000075280067 343845111 /nfs/dbraw/zinc/84/51/11/343845111.db2.gz LESHOXUVFNNTFO-UHFFFAOYSA-N -1 0 287.319 2.456 50 0 CEAARM CCCCOCCS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000048708113 362299466 /nfs/dbraw/zinc/29/94/66/362299466.db2.gz DWSPITRNKQJDJC-UHFFFAOYSA-N -1 0 282.365 2.153 50 0 CEAARM N#Cc1cc(I)c([O-])cc1F ZINC000115829113 344284704 /nfs/dbraw/zinc/28/47/04/344284704.db2.gz NXKWQPKXRGHRJM-UHFFFAOYSA-N -1 0 263.009 2.008 50 0 CEAARM O=C(c1c([O-])cccc1F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000131474768 344358146 /nfs/dbraw/zinc/35/81/46/344358146.db2.gz BSXSLTSPOQOXJA-JTQLQIEISA-N -1 0 290.298 2.017 50 0 CEAARM O=C([O-])CN(C(=O)/C=C\c1ccco1)c1ccccc1 ZINC000215322816 344533849 /nfs/dbraw/zinc/53/38/49/344533849.db2.gz QCQLYJNZLJPAKW-HJWRWDBZSA-N -1 0 271.272 2.411 50 0 CEAARM O=C(Cc1n[nH]c2ccccc21)[N-]OCc1ccccc1 ZINC000050553556 362421778 /nfs/dbraw/zinc/42/17/78/362421778.db2.gz MRIVBYNWWZFWSX-UHFFFAOYSA-N -1 0 281.315 2.353 50 0 CEAARM Cc1ccccc1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000051966951 362454221 /nfs/dbraw/zinc/45/42/21/362454221.db2.gz YCOONLJUNYGPQF-ZDUSSCGKSA-N -1 0 261.321 2.003 50 0 CEAARM O=C([O-])Cc1ccnc(C(F)(F)F)c1Br ZINC000238695596 344608215 /nfs/dbraw/zinc/60/82/15/344608215.db2.gz RNAYDRBCVXYMTP-UHFFFAOYSA-N -1 0 284.031 2.490 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000268896018 344664705 /nfs/dbraw/zinc/66/47/05/344664705.db2.gz CBJLAGHQOOJLRS-LBPRGKRZSA-N -1 0 263.337 2.056 50 0 CEAARM O=C([O-])Cc1nc(C(F)(F)F)ccc1OC(F)F ZINC000514277225 344925746 /nfs/dbraw/zinc/92/57/46/344925746.db2.gz RKAMBICSZBKHJL-UHFFFAOYSA-N -1 0 271.141 2.329 50 0 CEAARM C[C@H](CNC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000054309513 362526637 /nfs/dbraw/zinc/52/66/37/362526637.db2.gz QLSFTRVQXREYGA-LLVKDONJSA-N -1 0 271.316 2.219 50 0 CEAARM CC(C)CNC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000057550615 362585404 /nfs/dbraw/zinc/58/54/04/362585404.db2.gz KTXBAJVNKZWNFY-CYBMUJFWSA-N -1 0 263.337 2.407 50 0 CEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000085388469 179047311 /nfs/dbraw/zinc/04/73/11/179047311.db2.gz OFMDJRWWFHLIJS-QWRGUYRKSA-N -1 0 290.319 2.084 50 0 CEAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c2ccccc2n1 ZINC000062117498 362708744 /nfs/dbraw/zinc/70/87/44/362708744.db2.gz BQVIBSCJIBAWAD-LLVKDONJSA-N -1 0 284.315 2.090 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000062117474 362709167 /nfs/dbraw/zinc/70/91/67/362709167.db2.gz RXUVWODMMMHZCS-SSDOTTSWSA-N -1 0 271.675 2.026 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000062117476 362709473 /nfs/dbraw/zinc/70/94/73/362709473.db2.gz LOXVXXVEZICFPU-SSDOTTSWSA-N -1 0 271.675 2.026 50 0 CEAARM Cc1ccc(OCCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000062118230 362709621 /nfs/dbraw/zinc/70/96/21/362709621.db2.gz DNQZTKQXIVDRTN-CYBMUJFWSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000062119047 362710925 /nfs/dbraw/zinc/71/09/25/362710925.db2.gz PMWMEVYJNFNDFI-NSHDSACASA-N -1 0 281.739 2.206 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000062460143 362720067 /nfs/dbraw/zinc/72/00/67/362720067.db2.gz JXAYFFMUPZPPOP-ZDUSSCGKSA-N -1 0 297.301 2.363 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2cccs2)C1 ZINC000062912824 362732624 /nfs/dbraw/zinc/73/26/24/362732624.db2.gz MJYVQJVFRGNRMJ-CQSZACIVSA-N -1 0 281.377 2.394 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000062914001 362733679 /nfs/dbraw/zinc/73/36/79/362733679.db2.gz MQSDDRKZMMCNRO-HNNXBMFYSA-N -1 0 272.304 2.105 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000062914096 362734212 /nfs/dbraw/zinc/73/42/12/362734212.db2.gz VWSARMVTUXRBFD-CQSZACIVSA-N -1 0 281.739 2.206 50 0 CEAARM CCCc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])[nH]n1 ZINC000236897191 370649908 /nfs/dbraw/zinc/64/99/08/370649908.db2.gz LRFDBZFTPPYMHW-LBPRGKRZSA-N -1 0 293.367 2.222 50 0 CEAARM O=C([O-])c1cn(Cc2ccco2)c(=O)c2ccccc12 ZINC000064543207 362788165 /nfs/dbraw/zinc/78/81/65/362788165.db2.gz WRJYWRDNCSIFEG-UHFFFAOYSA-N -1 0 269.256 2.341 50 0 CEAARM O=C(CCc1ccsc1)[N-]S(=O)(=O)C1CCCC1 ZINC000086054794 179223950 /nfs/dbraw/zinc/22/39/50/179223950.db2.gz CDEVLSGXMULIAW-UHFFFAOYSA-N -1 0 287.406 2.069 50 0 CEAARM COc1ccccc1/C(C)=C\C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000606441051 347473336 /nfs/dbraw/zinc/47/33/36/347473336.db2.gz JWTWBLPSLYDJOZ-UCQJPZFISA-N -1 0 289.331 2.032 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1cccc(OC(F)(F)F)c1 ZINC000067323647 362905569 /nfs/dbraw/zinc/90/55/69/362905569.db2.gz OPPGIUIFAUVRMW-UHFFFAOYSA-N -1 0 287.197 2.173 50 0 CEAARM CCCC(=O)N1C[C@@H](c2ccccc2OC)[C@H](C(=O)[O-])C1 ZINC000091951219 180291235 /nfs/dbraw/zinc/29/12/35/180291235.db2.gz OSMAJIRUZXVVQG-QWHCGFSZSA-N -1 0 291.347 2.122 50 0 CEAARM O=C([N-]S(=O)(=O)CCc1ccccc1)C1CCCCC1 ZINC000069568860 362981146 /nfs/dbraw/zinc/98/11/46/362981146.db2.gz GKXFIUJLRADZMP-UHFFFAOYSA-N -1 0 295.404 2.255 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)[C@]23CCC[C@H]2OCC3)c1 ZINC000630144727 351638381 /nfs/dbraw/zinc/63/83/81/351638381.db2.gz PLTITYPGHPHZBP-CJNGLKHVSA-N -1 0 289.331 2.211 50 0 CEAARM CC1CCC(=CC(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000122771389 187050721 /nfs/dbraw/zinc/05/07/21/187050721.db2.gz 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O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000000146627 361135023 /nfs/dbraw/zinc/13/50/23/361135023.db2.gz WXCOVSNVWAIGIV-UHFFFAOYSA-N -1 0 297.266 2.308 50 0 CEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000000141996 361135036 /nfs/dbraw/zinc/13/50/36/361135036.db2.gz YDVWAPHIGLACHM-UHFFFAOYSA-N -1 0 252.295 2.092 50 0 CEAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccccc1 ZINC000094743503 304101326 /nfs/dbraw/zinc/10/13/26/304101326.db2.gz XLFRLPIAZNWNRZ-OLZOCXBDSA-N -1 0 261.321 2.450 50 0 CEAARM O=C([O-])c1ccccc1C(=O)NCc1ccc(F)cc1 ZINC000000261240 361152716 /nfs/dbraw/zinc/15/27/16/361152716.db2.gz XUHAISADKOVUOI-UHFFFAOYSA-N -1 0 273.263 2.454 50 0 CEAARM CC[C@H](C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000000073906 361123819 /nfs/dbraw/zinc/12/38/19/361123819.db2.gz RAGMAAZWAMQRTF-FKVCUQLRSA-N -1 0 290.319 2.053 50 0 CEAARM O=C([O-])c1cccc(NC(=O)c2cccs2)c1O ZINC000001429491 361205334 /nfs/dbraw/zinc/20/53/34/361205334.db2.gz HUIXPODJNYJQJL-UHFFFAOYSA-N -1 0 263.274 2.404 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000000543620 361185185 /nfs/dbraw/zinc/18/51/85/361185185.db2.gz QGJAFAIXCRURHK-SKDRFNHKSA-N -1 0 280.324 2.316 50 0 CEAARM CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000000616546 361189830 /nfs/dbraw/zinc/18/98/30/361189830.db2.gz IGPBIKWXWPLGGT-UHFFFAOYSA-N -1 0 291.328 2.210 50 0 CEAARM Cn1c2cccc3c2c(c([O-])c1=O)-c1ccccc1C3=O ZINC000000343054 361163975 /nfs/dbraw/zinc/16/39/75/361163975.db2.gz MHNRWBVQVQHXRQ-UHFFFAOYSA-N -1 0 277.279 2.456 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1cccc(Br)c1 ZINC000000365917 361166447 /nfs/dbraw/zinc/16/64/47/361166447.db2.gz YPDIRBVTVPXYLB-UHFFFAOYSA-N -1 0 282.097 2.036 50 0 CEAARM CC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000002750216 361247937 /nfs/dbraw/zinc/24/79/37/361247937.db2.gz KUTQRPSOIXBGBT-KBPBESRZSA-N -1 0 287.315 2.495 50 0 CEAARM O=C([O-])CCCCNC(=O)OCc1ccccc1 ZINC000002030656 361226545 /nfs/dbraw/zinc/22/65/45/361226545.db2.gz QYYPKLYDFCYGPG-UHFFFAOYSA-N -1 0 251.282 2.168 50 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277.301 2.067 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000082271169 304104457 /nfs/dbraw/zinc/10/44/57/304104457.db2.gz LIZCKEYWROGVHU-ZDUSSCGKSA-N -1 0 272.304 2.247 50 0 CEAARM CC[C@H](C)NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000012138859 361374720 /nfs/dbraw/zinc/37/47/20/361374720.db2.gz MKMVNBMNGNRVEW-JTQLQIEISA-N -1 0 292.335 2.018 50 0 CEAARM CCOc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2CC)cc1 ZINC000012411969 361383763 /nfs/dbraw/zinc/38/37/63/361383763.db2.gz FFRAWNOOWNPECM-HIFRSBDPSA-N -1 0 291.347 2.470 50 0 CEAARM COCc1cc(=O)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000013115082 361419838 /nfs/dbraw/zinc/41/98/38/361419838.db2.gz PFTKZDWAKHOKON-UHFFFAOYSA-N -1 0 269.304 2.144 50 0 CEAARM CCC[C@H](NC(=S)NC1CCCCC1)C(=O)[O-] ZINC000015837355 361480677 /nfs/dbraw/zinc/48/06/77/361480677.db2.gz GGFMKOMWLALJMP-JTQLQIEISA-N -1 0 258.387 2.037 50 0 CEAARM COc1ccc([C@H](C)NC(=O)CCCC(=O)[O-])cc1OC ZINC000017023712 361502211 /nfs/dbraw/zinc/50/22/11/361502211.db2.gz 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364456820 /nfs/dbraw/zinc/45/68/20/364456820.db2.gz AZRCLKOJYZAKDK-UHFFFAOYSA-N -1 0 295.339 2.342 50 0 CEAARM O=C([O-])c1ccc(C(=O)NCc2cc3ccccc3[nH]2)o1 ZINC000097231573 364483218 /nfs/dbraw/zinc/48/32/18/364483218.db2.gz UVJBHMUKMHJHLI-UHFFFAOYSA-N -1 0 284.271 2.389 50 0 CEAARM CC1(C)CC(=O)C2=C(C1)[N-]c1ccccc1S2(=O)=O ZINC000101655317 364569772 /nfs/dbraw/zinc/56/97/72/364569772.db2.gz QCNSICTVIDMUEL-ZDUSSCGKSA-N -1 0 277.345 2.304 50 0 CEAARM O=C([O-])c1ccc2c(c1)CN(Cc1cccnc1)CC2 ZINC000116933311 365080693 /nfs/dbraw/zinc/08/06/93/365080693.db2.gz IWDNBDLRGHBRBZ-UHFFFAOYSA-N -1 0 268.316 2.338 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000244795674 370799879 /nfs/dbraw/zinc/79/98/79/370799879.db2.gz RLNYEUKUKWJOGC-QCNOEVLYSA-N -1 0 255.358 2.428 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000159946323 366960763 /nfs/dbraw/zinc/96/07/63/366960763.db2.gz HDMPGSBEGYNNCS-BKDNQFJXSA-N -1 0 267.712 2.238 50 0 CEAARM Cc1ccc(C(=O)Nc2nc3cccnc3n2C)c(O)c1 ZINC000170598388 367384531 /nfs/dbraw/zinc/38/45/31/367384531.db2.gz XWOAORCBUAMNQS-UHFFFAOYSA-N -1 0 282.303 2.235 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccsc1 ZINC000022156039 304153302 /nfs/dbraw/zinc/15/33/02/304153302.db2.gz VIHVOYNTJSCTSP-ZDUSSCGKSA-N -1 0 287.340 2.400 50 0 CEAARM CC[C@H](C(=O)[O-])N(C)Cc1nc(C(F)(F)F)cs1 ZINC000191423084 369711463 /nfs/dbraw/zinc/71/14/63/369711463.db2.gz XCSBTAWWBKIZEB-ZCFIWIBFSA-N -1 0 282.287 2.457 50 0 CEAARM COc1ccc(CSc2n[nH]c(=O)[n-]2)cc1Cl ZINC000194631572 370059577 /nfs/dbraw/zinc/05/95/77/370059577.db2.gz XSFCCHSYUQAABR-UHFFFAOYSA-N -1 0 271.729 2.465 50 0 CEAARM CC(C)C[C@@H](NC(=O)[C@]1(C)CC1(Cl)Cl)C(=O)[O-] ZINC000195542636 370139733 /nfs/dbraw/zinc/13/97/33/370139733.db2.gz GKHDRGJQXXQUBW-XCBNKYQSSA-N -1 0 282.167 2.186 50 0 CEAARM C[C@H](C(=O)NCC(=O)[O-])c1ccc2ccccc2c1 ZINC000195542597 370139825 /nfs/dbraw/zinc/13/98/25/370139825.db2.gz JOSLUSNHTMHJMF-JTQLQIEISA-N -1 0 257.289 2.144 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000221727334 370244583 /nfs/dbraw/zinc/24/45/83/370244583.db2.gz QHSRDGPOUSUIOH-JJRVBVJISA-N -1 0 287.359 2.468 50 0 CEAARM Cc1nnc([N-]S(=O)(=O)CCc2ccc(C)cc2)s1 ZINC000225706644 370313669 /nfs/dbraw/zinc/31/36/69/370313669.db2.gz MOHDOSRTKXBDDL-UHFFFAOYSA-N -1 0 297.405 2.139 50 0 CEAARM CC(C)COCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236606234 370596827 /nfs/dbraw/zinc/59/68/27/370596827.db2.gz PSQDFORDDSYCOQ-CYBMUJFWSA-N -1 0 285.384 2.295 50 0 CEAARM CCOc1cccc(C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000262498800 371867888 /nfs/dbraw/zinc/86/78/88/371867888.db2.gz XYROAVRCBIOOGZ-UHFFFAOYSA-N -1 0 291.347 2.412 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000263364117 371935761 /nfs/dbraw/zinc/93/57/61/371935761.db2.gz ZHEIUEYQDXYAHY-AATLWQCWSA-N -1 0 293.285 2.335 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](C(=O)NCCc2ccccc2)CC1 ZINC000262713971 371901864 /nfs/dbraw/zinc/90/18/64/371901864.db2.gz 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CCc1nc(=NC[C@H]2CCc3cccnc32)s[n-]1 ZINC000521398450 379528898 /nfs/dbraw/zinc/52/88/98/379528898.db2.gz HLQNJLSUHNPPCS-SNVBAGLBSA-N -1 0 260.366 2.059 50 0 CEAARM O=C([O-])c1cc(Br)c2nccnc2c1 ZINC000085386237 304220827 /nfs/dbraw/zinc/22/08/27/304220827.db2.gz YTGWEQGMSZLMDS-UHFFFAOYSA-N -1 0 253.055 2.091 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000000057123 169520871 /nfs/dbraw/zinc/52/08/71/169520871.db2.gz ZSAIHAKADPJIGN-GFCCVEGCSA-N -1 0 263.293 2.262 50 0 in-vitro CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1c(F)cccc1F ZINC000492261274 380497683 /nfs/dbraw/zinc/49/76/83/380497683.db2.gz NSTVDTPLVOSUQB-ZHRWSRJISA-N -1 0 281.258 2.054 50 0 CEAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O ZINC000004050541 184530477 /nfs/dbraw/zinc/53/04/77/184530477.db2.gz MDZYHGGIYATKJI-OAHLLOKOSA-N -1 0 297.310 2.044 50 0 CEAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(F)cc2C1=O ZINC000000290306 304269725 /nfs/dbraw/zinc/26/97/25/304269725.db2.gz RHKMWLWZYDVGSY-UHFFFAOYSA-N -1 0 285.230 2.325 50 0 CEAARM COC(=O)C1=C([O-])c2cc(Cl)ccc2SC1 ZINC000071772414 291923491 /nfs/dbraw/zinc/92/34/91/291923491.db2.gz CKFZKUGJRWLILP-QMMMGPOBSA-N -1 0 256.710 2.418 50 0 CEAARM O=C([O-])c1ccnc(C(=O)N[C@H]2CC23CCCCC3)c1 ZINC000263425416 304273543 /nfs/dbraw/zinc/27/35/43/304273543.db2.gz QYWFEKVFYRDDKT-LBPRGKRZSA-N -1 0 274.320 2.232 50 0 CEAARM O=C([O-])c1cn(-c2ccccn2)c(=O)c2ccccc12 ZINC000072324059 304274005 /nfs/dbraw/zinc/27/40/05/304274005.db2.gz RTCWFJGFEMREAC-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM O=C([O-])C[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000001132897 169690509 /nfs/dbraw/zinc/69/05/09/169690509.db2.gz GXPKGKNZNUVMPM-ZDUSSCGKSA-N -1 0 270.288 2.027 50 0 CEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000000863578 169681742 /nfs/dbraw/zinc/68/17/42/169681742.db2.gz GAQGEPIHADPMHS-UHFFFAOYSA-N -1 0 278.333 2.199 50 0 CEAARM CCC[C@@H](NC(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000094913546 184891672 /nfs/dbraw/zinc/89/16/72/184891672.db2.gz BJTHPWQEBHPPTA-LLVKDONJSA-N -1 0 253.273 2.117 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)CCc1ccccc1F)C1CC1 ZINC000095424618 184978453 /nfs/dbraw/zinc/97/84/53/184978453.db2.gz DOHXMPACHRPKKM-JTQLQIEISA-N -1 0 279.311 2.222 50 0 CEAARM O=C([O-])CCN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000001472491 169708854 /nfs/dbraw/zinc/70/88/54/169708854.db2.gz WJOBUBXUNOYQNG-VURMDHGXSA-N -1 0 283.330 2.259 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C\c2ccsc2)CC1 ZINC000216090873 394450990 /nfs/dbraw/zinc/45/09/90/394450990.db2.gz NODWXKLRBBJSIJ-UPHRSURJSA-N -1 0 265.334 2.085 50 0 CEAARM C/C(=C\c1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCC1 ZINC000221727557 394462464 /nfs/dbraw/zinc/46/24/64/394462464.db2.gz BCSZVXAWTZYKFT-MDZDMXLPSA-N -1 0 277.295 2.353 50 0 CEAARM CC(C)(C)OC(=O)N1CCc2cc(C(=O)[O-])[nH]c2C1 ZINC000072233542 394596273 /nfs/dbraw/zinc/59/62/73/394596273.db2.gz BFYPPKQUXCMLSH-UHFFFAOYSA-N -1 0 266.297 2.006 50 0 CEAARM COc1ccc(OC2C(=O)NC(=S)N=C2[O-])cc1 ZINC000079016913 394629331 /nfs/dbraw/zinc/62/93/31/394629331.db2.gz RUMQGEVSDOQCJU-UHFFFAOYSA-N -1 0 266.278 2.351 50 0 CEAARM Cc1cscc1C(=O)/N=c1\[n-]ncn1-c1ccccc1 ZINC000095988439 394674479 /nfs/dbraw/zinc/67/44/79/394674479.db2.gz GWLDCTVLJJCRJR-UHFFFAOYSA-N -1 0 284.344 2.311 50 0 CEAARM CCCc1nc(NCc2ccco2)ncc1C(=O)[O-] ZINC000169751201 395089958 /nfs/dbraw/zinc/08/99/58/395089958.db2.gz OHWQOFPGJNEFKZ-UHFFFAOYSA-N -1 0 261.281 2.332 50 0 CEAARM CCOC(=O)[C@@H]1CCc2sc(C(=O)[O-])cc2C1 ZINC000097673581 285881045 /nfs/dbraw/zinc/88/10/45/285881045.db2.gz QQTXHIJVPKDGIS-SSDOTTSWSA-N -1 0 254.307 2.114 50 0 CEAARM O=C([O-])[C@@H]1CCN(Cc2cc3n(n2)CCC3)c2ccccc21 ZINC000650496943 400927647 /nfs/dbraw/zinc/92/76/47/400927647.db2.gz SZMPNSAKAALTLL-OAHLLOKOSA-N -1 0 297.358 2.408 50 0 CEAARM O=C([O-])Cc1ccc(NC(=O)CC[C@@H]2CCCO2)cc1F ZINC000263083287 154015849 /nfs/dbraw/zinc/01/58/49/154015849.db2.gz BMGGYAOSDIQAIB-LBPRGKRZSA-N -1 0 295.310 2.351 50 0 CEAARM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000263507907 154104994 /nfs/dbraw/zinc/10/49/94/154104994.db2.gz BOVCJBFETJKDFE-INIZCTEOSA-N -1 0 289.306 2.285 50 0 CEAARM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1(C)C ZINC000236980354 286516756 /nfs/dbraw/zinc/51/67/56/286516756.db2.gz YNJWPPVYVUDENO-RYUDHWBXSA-N -1 0 295.335 2.253 50 0 CEAARM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262060216 296762113 /nfs/dbraw/zinc/76/21/13/296762113.db2.gz CZVNEBQDESLAEF-LHNIVKCTSA-N -1 0 291.322 2.286 50 0 CEAARM CCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002014075 169767835 /nfs/dbraw/zinc/76/78/35/169767835.db2.gz JROXMYGUCMIQQD-AWEZNQCLSA-N -1 0 288.347 2.470 50 0 CEAARM COc1cc(C)c(CSCC(=O)[O-])cc1OC ZINC000003491320 169891943 /nfs/dbraw/zinc/89/19/43/169891943.db2.gz UXCHRZFROWOPOU-UHFFFAOYSA-N -1 0 256.323 2.330 50 0 CEAARM CCOc1cc(C=O)cc(Cl)c1OCC(=O)[O-] ZINC000004724737 170006214 /nfs/dbraw/zinc/00/62/14/170006214.db2.gz XHFZCETYAOULCG-UHFFFAOYSA-N -1 0 258.657 2.015 50 0 CEAARM C[C@H](CC(=O)[O-])CC(=O)NCCc1ccc(Cl)cc1 ZINC000004814139 170022092 /nfs/dbraw/zinc/02/20/92/170022092.db2.gz BJRQSWJMVBAJMZ-JTQLQIEISA-N -1 0 283.755 2.500 50 0 CEAARM COC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000004970375 170046713 /nfs/dbraw/zinc/04/67/13/170046713.db2.gz SPCRDKUIYICIMA-UHFFFAOYSA-N -1 0 297.357 2.336 50 0 CEAARM Cc1nc2ccc(NC(=O)CCC(=O)[O-])cc2s1 ZINC000005010784 170055068 /nfs/dbraw/zinc/05/50/68/170055068.db2.gz DNTIJCDTDDGTKN-UHFFFAOYSA-N -1 0 264.306 2.408 50 0 CEAARM O=C([O-])/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000005123929 170068302 /nfs/dbraw/zinc/06/83/02/170068302.db2.gz XDKRSRYSRYRMTM-XFXZXTDPSA-N -1 0 257.245 2.135 50 0 CEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000005423107 170097683 /nfs/dbraw/zinc/09/76/83/170097683.db2.gz WYIVCBFWHNAPDQ-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM COc1cc(-n2nn[n-]c2=S)c(Cl)cc1Cl ZINC000005526557 170108654 /nfs/dbraw/zinc/10/86/54/170108654.db2.gz JVGGSGDEZDQKRV-UHFFFAOYSA-N -1 0 277.136 2.266 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2cccs2)cc1 ZINC000005582373 170115950 /nfs/dbraw/zinc/11/59/50/170115950.db2.gz LVOSKQRJWMNHIU-UHFFFAOYSA-N -1 0 261.302 2.376 50 0 CEAARM O=C([O-])Cc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000006321512 170190956 /nfs/dbraw/zinc/19/09/56/170190956.db2.gz KNJHGOLYBZSGMQ-UHFFFAOYSA-N -1 0 272.182 2.383 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCCCCC2)cc1 ZINC000006809374 170245639 /nfs/dbraw/zinc/24/56/39/170245639.db2.gz PRAZUKCHFHAEJS-UHFFFAOYSA-N -1 0 297.376 2.340 50 0 CEAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1cccc(CO)c1 ZINC000006847353 170248593 /nfs/dbraw/zinc/24/85/93/170248593.db2.gz PRXJUYLDTLEVJT-HNNXBMFYSA-N -1 0 279.336 2.399 50 0 CEAARM COc1cc(Cl)cc(C=O)c1O[C@@H](C)C(=O)[O-] ZINC000006850636 170249011 /nfs/dbraw/zinc/24/90/11/170249011.db2.gz OURPQCNJIAYKOE-LURJTMIESA-N -1 0 258.657 2.013 50 0 CEAARM CC(C)(C)NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000008556613 170340262 /nfs/dbraw/zinc/34/02/62/170340262.db2.gz BADZRUILTDGGCP-UHFFFAOYSA-N -1 0 292.335 2.018 50 0 CEAARM O=C1Cc2cc([N-]S(=O)(=O)c3cccs3)ccc2N1 ZINC000008793651 170356308 /nfs/dbraw/zinc/35/63/08/170356308.db2.gz WMSDVSKZWUWKFV-UHFFFAOYSA-N -1 0 294.357 2.044 50 0 CEAARM CC(C)C(=O)Nc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000009230465 170367590 /nfs/dbraw/zinc/36/75/90/170367590.db2.gz VXOVWOQRZNTNRE-UHFFFAOYSA-N -1 0 292.335 2.475 50 0 CEAARM Cn1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000009319864 170371783 /nfs/dbraw/zinc/37/17/83/170371783.db2.gz DAPWPEBDIUCBBB-VQHVLOKHSA-N -1 0 297.767 2.486 50 0 CEAARM Nc1nnc(S[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000012139016 170471006 /nfs/dbraw/zinc/47/10/06/170471006.db2.gz MZLCGDIOJARGBF-ZETCQYMHSA-N -1 0 267.335 2.038 50 0 CEAARM Cn1cc2c(n1)nc(SCC(=O)[O-])cc2C(F)F ZINC000012398351 170484956 /nfs/dbraw/zinc/48/49/56/170484956.db2.gz ZBTZPBODHHTKLA-UHFFFAOYSA-N -1 0 273.264 2.083 50 0 CEAARM Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000013170525 170538604 /nfs/dbraw/zinc/53/86/04/170538604.db2.gz RBZQOIJYSQJNCX-ZDUSSCGKSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])CCOc1ccc(Br)cc1F ZINC000021955577 171341629 /nfs/dbraw/zinc/34/16/29/171341629.db2.gz KSYHKLPDBXQOIS-UHFFFAOYSA-N -1 0 263.062 2.442 50 0 CEAARM O=C([O-])c1nn(-c2ccccc2F)cc1Br ZINC000032627874 171740449 /nfs/dbraw/zinc/74/04/49/171740449.db2.gz XYTDWUIMAMYVJT-UHFFFAOYSA-N -1 0 285.072 2.472 50 0 CEAARM CSCC[C@@H](NC(=O)c1ccccc1SC)C(=O)[O-] ZINC000037407051 173183148 /nfs/dbraw/zinc/18/31/48/173183148.db2.gz XAOZIMJRSKKDOT-SNVBAGLBSA-N -1 0 299.417 2.345 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccccc1Cl ZINC000037410359 173187093 /nfs/dbraw/zinc/18/70/93/173187093.db2.gz TWSNQAUNHWTSRS-GFCCVEGCSA-N -1 0 281.739 2.348 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCOc1ccccc1F ZINC000037410731 173187376 /nfs/dbraw/zinc/18/73/76/173187376.db2.gz BGAVSLWHZRIOMP-LBPRGKRZSA-N -1 0 295.310 2.060 50 0 CEAARM Cc1ccc(SCC(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC000037412653 173189232 /nfs/dbraw/zinc/18/92/32/173189232.db2.gz BWQINNHMIIRLMN-JTQLQIEISA-N -1 0 267.350 2.067 50 0 CEAARM Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000037432626 173202707 /nfs/dbraw/zinc/20/27/07/173202707.db2.gz PUABVZNCMGZJHV-OAHLLOKOSA-N -1 0 288.347 2.244 50 0 CEAARM C[C@H](CC(=O)[O-])NC(=O)CCSc1ccccc1F ZINC000037457651 173223072 /nfs/dbraw/zinc/22/30/72/173223072.db2.gz XGFQXLBJQDETMC-SECBINFHSA-N -1 0 285.340 2.287 50 0 CEAARM C[C@@H](C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1)n1cccn1 ZINC000042373139 174702369 /nfs/dbraw/zinc/70/23/69/174702369.db2.gz AGWJFAMBPPENEE-BWNDKRECSA-N -1 0 285.303 2.181 50 0 CEAARM CCc1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)sc1C ZINC000043510719 175060243 /nfs/dbraw/zinc/06/02/43/175060243.db2.gz VTZTULXEBOXFQA-ZDUSSCGKSA-N -1 0 299.417 2.309 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000043584406 175071180 /nfs/dbraw/zinc/07/11/80/175071180.db2.gz RQADHPQSGCCVOD-HZRUHFOJSA-N -1 0 288.347 2.198 50 0 CEAARM COc1cccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)C)c1 ZINC000045922796 175386541 /nfs/dbraw/zinc/38/65/41/175386541.db2.gz CYPZKFULBAXMBS-JSGCOSHPSA-N -1 0 277.320 2.078 50 0 CEAARM C[C@@H](C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000047218852 175405026 /nfs/dbraw/zinc/40/50/26/175405026.db2.gz FZNNOLMIECALJP-SECBINFHSA-N -1 0 257.330 2.354 50 0 CEAARM O=C([O-])C1(NC(=O)c2cccc(F)c2F)CCCCC1 ZINC000054187903 175554850 /nfs/dbraw/zinc/55/48/50/175554850.db2.gz LPVKVHJNGVIIQN-UHFFFAOYSA-N -1 0 283.274 2.482 50 0 CEAARM Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)nn1C(C)C ZINC000071282049 176108714 /nfs/dbraw/zinc/10/87/14/176108714.db2.gz UBURAZSNRVVFAM-QWRGUYRKSA-N -1 0 279.340 2.068 50 0 CEAARM CCN(CC)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000071750066 176259588 /nfs/dbraw/zinc/25/95/88/176259588.db2.gz IYRNDGMVBUQAFC-UHFFFAOYSA-N -1 0 272.308 2.083 50 0 CEAARM CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]ncn3c(=O)c21 ZINC000100999781 287429021 /nfs/dbraw/zinc/42/90/21/287429021.db2.gz WNWCIQOFQWBKNH-INIZCTEOSA-N -1 0 280.331 2.308 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000213920434 260068861 /nfs/dbraw/zinc/06/88/61/260068861.db2.gz GDKFBXQXZZJJJI-YVACAVLKSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])c1ccc(CCNC(=O)C2CC=CC2)cc1 ZINC000085159683 260371773 /nfs/dbraw/zinc/37/17/73/260371773.db2.gz VUILQOWRPPOAQI-UHFFFAOYSA-N -1 0 259.305 2.010 50 0 CEAARM CC(C)(C)C(=O)Nc1ccc(C(=O)[O-])nc1Cl ZINC000035270466 278294457 /nfs/dbraw/zinc/29/44/57/278294457.db2.gz LZPRASZVDWUTNR-UHFFFAOYSA-N -1 0 256.689 2.418 50 0 CEAARM CC(C)(C)OC(=O)N1CC(F)(F)C(C)(C)[C@@H]1C(=O)[O-] ZINC000036477333 278379065 /nfs/dbraw/zinc/37/90/65/278379065.db2.gz BEKSOLPMSVHHRU-ZETCQYMHSA-N -1 0 279.283 2.352 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000091304133 278418761 /nfs/dbraw/zinc/41/87/61/278418761.db2.gz MNUNPDQAOUQRMY-NOZJJQNGSA-N -1 0 255.314 2.108 50 0 CEAARM CC(C)=CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000221329379 278658557 /nfs/dbraw/zinc/65/85/57/278658557.db2.gz UJSAZMMCLBAKRM-WOPDTQHZSA-N -1 0 251.326 2.197 50 0 CEAARM CC(C)N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019093973 279468306 /nfs/dbraw/zinc/46/83/06/279468306.db2.gz MRIQQRXUKPABAK-LLVKDONJSA-N -1 0 293.344 2.013 50 0 CEAARM CC(C)[C@]1(C)CC(=O)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000035281995 280529850 /nfs/dbraw/zinc/52/98/50/280529850.db2.gz WXGHNHPDKHQVIG-CJNGLKHVSA-N -1 0 289.331 2.234 50 0 CEAARM CO[N-]C(=O)C1(NC(=O)OC(C)(C)C)CCC(C)CC1 ZINC000058792752 293371374 /nfs/dbraw/zinc/37/13/74/293371374.db2.gz OEJNARLAVPHFEQ-UHFFFAOYSA-N -1 0 286.372 2.138 50 0 CEAARM COc1ccc2c(c1)c1c(n2CCC(=O)[O-])CCN(C)C1 ZINC000075567652 295277005 /nfs/dbraw/zinc/27/70/05/295277005.db2.gz JXRPKVQBXUQLKR-UHFFFAOYSA-N -1 0 288.347 2.113 50 0 CEAARM Nc1c(C(=O)[O-])cnc2c(Br)cccc12 ZINC000047913054 295345717 /nfs/dbraw/zinc/34/57/17/295345717.db2.gz WUNUCIAEGKMVOE-UHFFFAOYSA-N -1 0 267.082 2.278 50 0 CEAARM CSC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000426442501 295623468 /nfs/dbraw/zinc/62/34/68/295623468.db2.gz HHMIKZGWNCSQEA-ONTFQQAWSA-N -1 0 297.420 2.135 50 0 CEAARM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)C[C@@]1(O)C1CC1 ZINC000091645443 297084187 /nfs/dbraw/zinc/08/41/87/297084187.db2.gz LQWYLNRPGLAQMK-CLAHSXSESA-N -1 0 296.754 2.030 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc2c1CCC2 ZINC000263436832 297878513 /nfs/dbraw/zinc/87/85/13/297878513.db2.gz LRLFSSTVUIFVRT-INIZCTEOSA-N -1 0 273.332 2.255 50 0 CEAARM O=C(c1ccccc1)[C@@H]1CCCC[C@H]1S(=O)(=O)[O-] ZINC000002924363 304563692 /nfs/dbraw/zinc/56/36/92/304563692.db2.gz RWFMTWAQMCUUHN-VXGBXAGGSA-N -1 0 268.334 2.316 50 0 CEAARM C[C@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000002345814 298216465 /nfs/dbraw/zinc/21/64/65/298216465.db2.gz UPDOIDZVEJYGMU-FBHKUJJOSA-N -1 0 277.301 2.196 50 0 CEAARM Cc1cc(=O)c(C(=O)[O-])nn1-c1cccc(C(F)(F)F)c1 ZINC000004207173 301065880 /nfs/dbraw/zinc/06/58/80/301065880.db2.gz XINSQSOKQMDVOU-UHFFFAOYSA-N -1 0 298.220 2.258 50 0 CEAARM Cc1cc(=O)oc2c(C)c([O-])c(-c3ccnc(N)n3)cc12 ZINC000013689735 301067997 /nfs/dbraw/zinc/06/79/97/301067997.db2.gz WBWQRDLDPSOJSX-UHFFFAOYSA-N -1 0 283.287 2.155 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(Cl)cc1F ZINC000237691261 301094911 /nfs/dbraw/zinc/09/49/11/301094911.db2.gz LGQIZNAGMXKEMK-LLVKDONJSA-N -1 0 285.702 2.477 50 0 CEAARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O ZINC000000314039 302103906 /nfs/dbraw/zinc/10/39/06/302103906.db2.gz KZEKQUAFXOYMLJ-FMIVXFBMSA-N -1 0 296.282 2.254 50 0 CEAARM Cc1ccncc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262300253 302288689 /nfs/dbraw/zinc/28/86/89/302288689.db2.gz AGAZKLDANYPWJR-BNOWGMLFSA-N -1 0 288.347 2.248 50 0 CEAARM Cc1csc2ncnc(N3CCC(C(=O)[O-])CC3)c12 ZINC000000118094 302459383 /nfs/dbraw/zinc/45/93/83/302459383.db2.gz NDOCLDJACDILPD-UHFFFAOYSA-N -1 0 277.349 2.301 50 0 CEAARM Cc1occc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000241316848 302875682 /nfs/dbraw/zinc/87/56/82/302875682.db2.gz LVKMHZIZTOTZDO-RTXFEEFZSA-N -1 0 277.320 2.446 50 0 CEAARM CCCCOc1cc(F)ccc1-c1ncn(CC(=O)[O-])n1 ZINC000534578239 328311031 /nfs/dbraw/zinc/31/10/31/328311031.db2.gz XGEPXAHQLPGSTJ-UHFFFAOYSA-N -1 0 293.298 2.348 50 0 CEAARM Cc1nc(-c2cccc3ccnn32)sc1C(=O)[O-] ZINC000534635624 328333575 /nfs/dbraw/zinc/33/35/75/328333575.db2.gz WWKIFKVNEUSPQE-UHFFFAOYSA-N -1 0 259.290 2.464 50 0 CEAARM CNC(=O)c1ccccc1-c1ccc(C(=O)[O-])s1 ZINC000534647247 328342847 /nfs/dbraw/zinc/34/28/47/328342847.db2.gz RFMYTBRTXRUKCN-UHFFFAOYSA-N -1 0 261.302 2.473 50 0 CEAARM CCOc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1OCC ZINC000041597909 329521947 /nfs/dbraw/zinc/52/19/47/329521947.db2.gz NLXXGULOGPIJKZ-UHFFFAOYSA-N -1 0 290.323 2.014 50 0 CEAARM C[C@H](C(=O)Nc1ccccc1CC(=O)[O-])C(F)(F)F ZINC000262912357 526166156 /nfs/dbraw/zinc/16/61/56/526166156.db2.gz SOAWEFAMSWECGT-SSDOTTSWSA-N -1 0 275.226 2.451 50 0 CEAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc2c(c1)CCC=C2 ZINC000263040627 527077977 /nfs/dbraw/zinc/07/79/77/527077977.db2.gz CZYZCDRDWNDDCY-OKILXGFUSA-N -1 0 271.316 2.239 50 0 CEAARM C[C@@H]1c2ccc(C(=O)[O-])n2CCN1C(=O)OC(C)(C)C ZINC000669371621 570350688 /nfs/dbraw/zinc/35/06/88/570350688.db2.gz KRXCFRMXKJBUKZ-SECBINFHSA-N -1 0 280.324 2.498 50 0 CEAARM C/C=C(/C)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095989330 601280094 /nfs/dbraw/zinc/28/00/94/601280094.db2.gz LNZAQTWPLPZCJO-KNVNGTOESA-N -1 0 265.284 2.424 50 0 CEAARM CC(C)(C)OC(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000399495019 628808595 /nfs/dbraw/zinc/80/85/95/628808595.db2.gz ABRSPSOJEDIUMI-NEPJUHHUSA-N -1 0 299.367 2.123 50 0 CEAARM O=C([O-])C[C@H](NC(=O)/C=C/c1ccccn1)c1ccccc1 ZINC000095960554 632350829 /nfs/dbraw/zinc/35/08/29/632350829.db2.gz QRFXGJKOXXREAQ-FEAKQIBJSA-N -1 0 296.326 2.427 50 0 CEAARM C[C@H](CN(C)C(=O)c1cccc(-c2cnco2)c1)C(=O)[O-] ZINC000863981701 646864149 /nfs/dbraw/zinc/86/41/49/646864149.db2.gz JHJLHHNKXULTEI-SNVBAGLBSA-N -1 0 288.303 2.134 50 0 CEAARM Cc1nc(N2CCC([C@@H](O)C(C)C)CC2)c(Cl)c(=O)[n-]1 ZINC000820684178 810557453 /nfs/dbraw/zinc/55/74/53/810557453.db2.gz AJUKKZIJXBNODM-LBPRGKRZSA-N -1 0 299.802 2.377 50 0 CEAARM Cc1nc(N2CCC([C@H](O)C(C)C)CC2)c(Cl)c(=O)[n-]1 ZINC000820684173 810558281 /nfs/dbraw/zinc/55/82/81/810558281.db2.gz AJUKKZIJXBNODM-GFCCVEGCSA-N -1 0 299.802 2.377 50 0 CEAARM CC(C)(C)C[C@@H](NC(=O)NCCC(=O)[O-])c1cccnc1 ZINC000828000421 810772520 /nfs/dbraw/zinc/77/25/20/810772520.db2.gz BHWNDKIUKFNYJZ-GFCCVEGCSA-N -1 0 293.367 2.333 50 0 CEAARM Cc1nnsc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000067919657 812267537 /nfs/dbraw/zinc/26/75/37/812267537.db2.gz MCZXMWXOXHXKLO-UHFFFAOYSA-N -1 0 277.349 2.177 50 0 CEAARM CC[C@@H](NC(=O)Cc1cccc2ccccc21)c1nnn[n-]1 ZINC000584906900 813604057 /nfs/dbraw/zinc/60/40/57/813604057.db2.gz RKPRUCWAOBWXSC-CQSZACIVSA-N -1 0 295.346 2.163 50 0 CEAARM COc1cccc([C@H](CNC(=O)C(C)(C)C)C(=O)[O-])c1 ZINC000095470411 184996200 /nfs/dbraw/zinc/99/62/00/184996200.db2.gz IHOMDVLIYWINNT-LBPRGKRZSA-N -1 0 279.336 2.026 50 0 CEAARM Cc1c([N-]S(=O)(=O)c2ccccc2)n[nH]c1C1CC1 ZINC000096471636 230379066 /nfs/dbraw/zinc/37/90/66/230379066.db2.gz FSCUIKAZBFCVGB-UHFFFAOYSA-N -1 0 277.349 2.396 50 0 CEAARM C[C@](NC(=O)CCc1ccsc1)(C(=O)[O-])C1CC1 ZINC000096494268 230383548 /nfs/dbraw/zinc/38/35/48/230383548.db2.gz XCVIWTFITRSPJF-CYBMUJFWSA-N -1 0 267.350 2.050 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccoc2)c2ccccc21 ZINC000133853082 230394708 /nfs/dbraw/zinc/39/47/08/230394708.db2.gz AGHPMYYPLVIOMD-LLVKDONJSA-N -1 0 257.245 2.108 50 0 CEAARM CCc1nc([N-]S(=O)(=O)c2cc(C)sc2C)no1 ZINC000095994126 185059397 /nfs/dbraw/zinc/05/93/97/185059397.db2.gz BNHHXRHLDAUIPQ-UHFFFAOYSA-N -1 0 287.366 2.111 50 0 CEAARM Cc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1Cl ZINC000032913177 361765516 /nfs/dbraw/zinc/76/55/16/361765516.db2.gz MKIMHJZARRVTRU-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM Cc1ccc(-n2cc3c(cncc3C(=O)[O-])n2)cc1 ZINC000032918851 361766324 /nfs/dbraw/zinc/76/63/24/361766324.db2.gz QAOHWEIZPOJJQU-UHFFFAOYSA-N -1 0 253.261 2.427 50 0 CEAARM CS[C@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000225888775 295668252 /nfs/dbraw/zinc/66/82/52/295668252.db2.gz PVLFHKSFDGPGCB-BDAKNGLRSA-N -1 0 283.349 2.382 50 0 CEAARM [O-]c1c(F)cc(I)cc1F ZINC000036533311 361848249 /nfs/dbraw/zinc/84/82/49/361848249.db2.gz LHUADYKKTXZZMQ-UHFFFAOYSA-N -1 0 255.989 2.275 50 0 CEAARM Cc1ccccc1C[C@@H](CNC(=O)c1ccco1)C(=O)[O-] ZINC000097018815 185152573 /nfs/dbraw/zinc/15/25/73/185152573.db2.gz IXTDPXVDYBERDJ-ZDUSSCGKSA-N -1 0 287.315 2.261 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)on1 ZINC000097018936 185152738 /nfs/dbraw/zinc/15/27/38/185152738.db2.gz NKJNYYGSVYNAIA-UHFFFAOYSA-N -1 0 274.276 2.253 50 0 CEAARM CC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000039370429 361988839 /nfs/dbraw/zinc/98/88/39/361988839.db2.gz GDPOCVKTZIJHNZ-UHFFFAOYSA-N -1 0 267.228 2.151 50 0 CEAARM Cc1nc2cc(Br)ccn2c1C(=O)[O-] ZINC000040447990 361994009 /nfs/dbraw/zinc/99/40/09/361994009.db2.gz PIYHSBMKGBVADI-UHFFFAOYSA-N -1 0 255.071 2.103 50 0 CEAARM CCc1cc(C)c(C(=O)N[C@H](CC(=O)[O-])C2CC2)o1 ZINC000097035767 185166368 /nfs/dbraw/zinc/16/63/68/185166368.db2.gz XPQVJNWXTZRDBU-LLVKDONJSA-N -1 0 265.309 2.134 50 0 CEAARM CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)s1 ZINC000043509651 362147049 /nfs/dbraw/zinc/14/70/49/362147049.db2.gz ULRWLNNUZDAPQF-LBPRGKRZSA-N -1 0 285.390 2.001 50 0 CEAARM CCCC[C@H](NC(=S)NCc1ccccc1)C(=O)[O-] ZINC000015837524 343370478 /nfs/dbraw/zinc/37/04/78/343370478.db2.gz BUIXJEYJSQVRBF-LBPRGKRZSA-N -1 0 280.393 2.294 50 0 CEAARM CCC1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000426489505 282342210 /nfs/dbraw/zinc/34/22/10/282342210.db2.gz GMKUDEZAVUOHGX-AWEZNQCLSA-N -1 0 283.368 2.049 50 0 CEAARM Cc1occc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921223 362423422 /nfs/dbraw/zinc/42/34/22/362423422.db2.gz QDXGPJUDBQNASZ-NSHDSACASA-N -1 0 265.309 2.448 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cccc(Cl)c1 ZINC000052944194 362477030 /nfs/dbraw/zinc/47/70/30/362477030.db2.gz TZALUQNRFVYSOJ-GFCCVEGCSA-N -1 0 281.739 2.348 50 0 CEAARM Cc1cc(C(=O)N[C@@H](C)CC(=O)[O-])c2cccc(C)c2n1 ZINC000055387088 362550848 /nfs/dbraw/zinc/55/08/48/362550848.db2.gz QVPFLMDUYQTHDZ-NSHDSACASA-N -1 0 286.331 2.445 50 0 CEAARM COc1ccc(-n2nc(C)c(CC(=O)[O-])c2C)cc1 ZINC000057546901 362584253 /nfs/dbraw/zinc/58/42/53/362584253.db2.gz USTRBMKAYTYTRF-UHFFFAOYSA-N -1 0 260.293 2.125 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(Cc2csc3ccccc23)C1 ZINC000058282688 362618868 /nfs/dbraw/zinc/61/88/68/362618868.db2.gz FXBSWBHNUVYUBS-SECBINFHSA-N -1 0 275.329 2.334 50 0 CEAARM CNC(=O)c1cnc(/C=C/c2ccc(C(=O)[O-])cc2)s1 ZINC000058344393 362623914 /nfs/dbraw/zinc/62/39/14/362623914.db2.gz PYBBSKKDEYQDGH-QPJJXVBHSA-N -1 0 288.328 2.371 50 0 CEAARM O=S(=O)([N-]c1nccs1)c1ccc(F)cc1F ZINC000060486718 362664030 /nfs/dbraw/zinc/66/40/30/362664030.db2.gz SJGNVHFLSMBIKC-UHFFFAOYSA-N -1 0 276.289 2.222 50 0 CEAARM CCc1ccccc1NC(=O)CN1CCCC[C@H]1C(=O)[O-] ZINC000062453486 362719751 /nfs/dbraw/zinc/71/97/51/362719751.db2.gz BPSLEIRUXMNWMY-AWEZNQCLSA-N -1 0 290.363 2.127 50 0 CEAARM Cc1ccc(F)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062914107 362733902 /nfs/dbraw/zinc/73/39/02/362733902.db2.gz NFSPHJNRXIMVTB-CQSZACIVSA-N -1 0 265.284 2.071 50 0 CEAARM CCCOc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062914132 362734142 /nfs/dbraw/zinc/73/41/42/362734142.db2.gz FQMSLOSDPUVJNS-INIZCTEOSA-N -1 0 291.347 2.412 50 0 CEAARM Cc1ccc(-c2cc(C(=O)NC(C)(C)C(=O)[O-])on2)cc1 ZINC000065422276 362820403 /nfs/dbraw/zinc/82/04/03/362820403.db2.gz QNQORSLZWWYFJQ-UHFFFAOYSA-N -1 0 288.303 2.243 50 0 CEAARM Cc1noc(C)c1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921605 539574676 /nfs/dbraw/zinc/57/46/76/539574676.db2.gz LSDFUIPLELKIRB-LLVKDONJSA-N -1 0 280.324 2.151 50 0 CEAARM Cc1noc(C)c1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921606 539575067 /nfs/dbraw/zinc/57/50/67/539575067.db2.gz LSDFUIPLELKIRB-NSHDSACASA-N -1 0 280.324 2.151 50 0 CEAARM Nc1c(Br)cc(C(=O)[O-])c2c1CCCO2 ZINC000066054626 362849496 /nfs/dbraw/zinc/84/94/96/362849496.db2.gz INYKESVAFKSNMJ-UHFFFAOYSA-N -1 0 272.098 2.055 50 0 CEAARM Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)[O-] ZINC000088613697 179639741 /nfs/dbraw/zinc/63/97/41/179639741.db2.gz BPPJTCCMWLTSRT-UHFFFAOYSA-N -1 0 266.297 2.113 50 0 CEAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000263560836 295795596 /nfs/dbraw/zinc/79/55/96/295795596.db2.gz RIUCLDHJQPVEHI-LDYMZIIASA-N -1 0 297.738 2.391 50 0 CEAARM O=C([O-])CNc1cc(C(F)(F)F)cc(Cl)n1 ZINC000091694941 180229104 /nfs/dbraw/zinc/22/91/04/180229104.db2.gz UHVUGUCMBUHHHL-UHFFFAOYSA-N -1 0 254.595 2.250 50 0 CEAARM O=C([N-]OCc1ccccc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000069368867 362962824 /nfs/dbraw/zinc/96/28/24/362962824.db2.gz MKATZVPIKGPMLL-HNNXBMFYSA-N -1 0 297.310 2.016 50 0 CEAARM Cc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)s1 ZINC000069414986 362965662 /nfs/dbraw/zinc/96/56/62/362965662.db2.gz JKDLMOQCQDUMLE-BXKDBHETSA-N -1 0 267.350 2.439 50 0 CEAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccsc1 ZINC000069656029 362989030 /nfs/dbraw/zinc/98/90/30/362989030.db2.gz RRRIKGQXXVUQBS-UHFFFAOYSA-N -1 0 287.300 2.344 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000630174158 351647965 /nfs/dbraw/zinc/64/79/65/351647965.db2.gz GZTILBAVOFCMHX-NEPJUHHUSA-N -1 0 279.723 2.055 50 0 CEAARM CC1(C)CC(=O)C(C(=O)Nc2ccccc2F)=C([O-])C1 ZINC000122543772 187037398 /nfs/dbraw/zinc/03/73/98/187037398.db2.gz ZAAVODFSEQCPAQ-UHFFFAOYSA-N -1 0 277.295 2.339 50 0 CEAARM COCC1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000123779936 187108680 /nfs/dbraw/zinc/10/86/80/187108680.db2.gz VMPGRCDSHDJGTH-UHFFFAOYSA-N -1 0 267.300 2.030 50 0 CEAARM CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000070571546 363096573 /nfs/dbraw/zinc/09/65/73/363096573.db2.gz ZYHIHTDDGHAARV-KGLIPLIRSA-N -1 0 290.363 2.471 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1cc(F)ccc1F ZINC000136464114 187879060 /nfs/dbraw/zinc/87/90/60/187879060.db2.gz HDGMIUQPJBFATL-ZDUSSCGKSA-N -1 0 297.301 2.363 50 0 CEAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1nc(C(C)(C)C)cs1 ZINC000154870012 188166487 /nfs/dbraw/zinc/16/64/87/188166487.db2.gz VGMXTOMYLMVMRY-QMMMGPOBSA-N -1 0 296.392 2.483 50 0 CEAARM C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)CC(=O)[O-] ZINC000157803514 188339226 /nfs/dbraw/zinc/33/92/26/188339226.db2.gz IZQLXTUSXBXONH-SNVBAGLBSA-N -1 0 288.303 2.182 50 0 CEAARM CC[C@@H](C(=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096951928 540165707 /nfs/dbraw/zinc/16/57/07/540165707.db2.gz LPKVEVSNOKARTB-VHSXEESVSA-N -1 0 257.330 2.354 50 0 CEAARM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000223380744 540535269 /nfs/dbraw/zinc/53/52/69/540535269.db2.gz VYIUIMHIQSRKOK-ZIAGYGMSSA-N -1 0 275.348 2.113 50 0 CEAARM Cc1nccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000139266270 366555564 /nfs/dbraw/zinc/55/55/64/366555564.db2.gz OKZBUNSGTNPIFM-CYBMUJFWSA-N -1 0 299.330 2.121 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000148663615 366583589 /nfs/dbraw/zinc/58/35/89/366583589.db2.gz VITRAWRGTRRZKI-UJNFCWOMSA-N -1 0 267.712 2.238 50 0 CEAARM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCS2)cc1 ZINC000150324487 366591735 /nfs/dbraw/zinc/59/17/35/366591735.db2.gz ZXDQRIBQDAXNMK-LLVKDONJSA-N -1 0 265.334 2.010 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000000170229 304094495 /nfs/dbraw/zinc/09/44/95/304094495.db2.gz FZEBPJBRDFXKIH-OAHLLOKOSA-N -1 0 281.311 2.338 50 0 CEAARM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000178262198 189101553 /nfs/dbraw/zinc/10/15/53/189101553.db2.gz AQOWAMNEYNIGJH-SFYZADRCSA-N -1 0 287.768 2.438 50 0 CEAARM CCc1ccccc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000161698605 540912711 /nfs/dbraw/zinc/91/27/11/540912711.db2.gz ZBNWDAVKBIZJMO-UHFFFAOYSA-N -1 0 261.321 2.186 50 0 CEAARM C[C@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)[O-])on1 ZINC000299784994 200873583 /nfs/dbraw/zinc/87/35/83/200873583.db2.gz IRLLWEWTDLVNTR-MRVPVSSYSA-N -1 0 275.260 2.448 50 0 CEAARM O=C([O-])c1cc(CN2CCOCC2)oc1-c1ccccc1 ZINC000000033623 361119137 /nfs/dbraw/zinc/11/91/37/361119137.db2.gz TZCXERGABXFMRV-UHFFFAOYSA-N -1 0 287.315 2.477 50 0 CEAARM CC(C)[C@@H](NC(=O)c1cc2ccccc2cc1O)C(=O)[O-] ZINC000000072528 361123755 /nfs/dbraw/zinc/12/37/55/361123755.db2.gz PAQNBUMFNNCFQV-CQSZACIVSA-N -1 0 287.315 2.384 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(F)(F)F ZINC000000078397 361124507 /nfs/dbraw/zinc/12/45/07/361124507.db2.gz BUHKBTGELFUBBX-AATRIKPKSA-N -1 0 259.183 2.285 50 0 CEAARM CC(C)(C)OC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000000392932 361169066 /nfs/dbraw/zinc/16/90/66/361169066.db2.gz LNKHBRDWRIIROP-UHFFFAOYSA-N -1 0 251.282 2.410 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000000399428 361170774 /nfs/dbraw/zinc/17/07/74/361170774.db2.gz LXSODSXUTNRYPE-NEPJUHHUSA-N -1 0 263.293 2.222 50 0 CEAARM COc1cc(C(=O)CCCC(=O)[O-])cc(OC)c1OC ZINC000000396301 361170803 /nfs/dbraw/zinc/17/08/03/361170803.db2.gz LGYXZGUQHIJKTR-UHFFFAOYSA-N -1 0 282.292 2.150 50 0 CEAARM COc1ccc2c(c1)C([O-])=C[C@](O)(C(F)(F)C(F)F)O2 ZINC000000510414 361182876 /nfs/dbraw/zinc/18/28/76/361182876.db2.gz JGSBBISTRASGMA-LLVKDONJSA-N -1 0 294.200 2.249 50 0 CEAARM CCc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000000611594 361189451 /nfs/dbraw/zinc/18/94/51/361189451.db2.gz GULPUVAVKMOGTC-CYBMUJFWSA-N -1 0 263.337 2.478 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000001465311 361206368 /nfs/dbraw/zinc/20/63/68/361206368.db2.gz VSMYIRFIBDUAEA-LLVKDONJSA-N -1 0 275.329 2.174 50 0 CEAARM COc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000001385875 361202004 /nfs/dbraw/zinc/20/20/04/361202004.db2.gz SSGSEPUHFILJJS-OAHLLOKOSA-N -1 0 299.326 2.121 50 0 CEAARM CC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002767243 361248890 /nfs/dbraw/zinc/24/88/90/361248890.db2.gz VLXCELORZFJXKB-UONOGXRCSA-N -1 0 287.315 2.495 50 0 CEAARM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O ZINC000002024366 361226451 /nfs/dbraw/zinc/22/64/51/361226451.db2.gz XXDBEXHBCCCONV-WEVVVXLNSA-N -1 0 297.719 2.461 50 0 CEAARM CCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002386061 361234444 /nfs/dbraw/zinc/23/44/44/361234444.db2.gz JZBKYJZIWJSOPA-QMMMGPOBSA-N -1 0 263.359 2.108 50 0 CEAARM O=S(=O)([N-]c1cccnc1)c1cccc2cccnc21 ZINC000002465197 361235176 /nfs/dbraw/zinc/23/51/76/361235176.db2.gz CJVHCRJZAKYQLI-UHFFFAOYSA-N -1 0 285.328 2.431 50 0 CEAARM Cc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000002465193 361235666 /nfs/dbraw/zinc/23/56/66/361235666.db2.gz HHBXYQQEOXLZQW-UHFFFAOYSA-N -1 0 299.355 2.161 50 0 CEAARM COc1cc(OC(F)(F)F)ccc1CC(=O)[O-] ZINC000002528355 361237693 /nfs/dbraw/zinc/23/76/93/361237693.db2.gz MFXSQAUASZWYDH-UHFFFAOYSA-N -1 0 250.172 2.221 50 0 CEAARM Cn1nccc1-c1cc(C(=O)[O-])c2ccccc2n1 ZINC000002537759 361239737 /nfs/dbraw/zinc/23/97/37/361239737.db2.gz KROALECUONLWKQ-UHFFFAOYSA-N -1 0 253.261 2.334 50 0 CEAARM Cc1ccn(Cc2cc(C(=O)[O-])c3ccccc3n2)n1 ZINC000002552538 361239942 /nfs/dbraw/zinc/23/99/42/361239942.db2.gz IVPLAALQJVNYEU-UHFFFAOYSA-N -1 0 267.288 2.486 50 0 CEAARM COCCNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000002700793 361244609 /nfs/dbraw/zinc/24/46/09/361244609.db2.gz GFMWYHFCUARWAA-UHFFFAOYSA-N -1 0 299.326 2.428 50 0 CEAARM COc1ccc(N)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003239585 361269574 /nfs/dbraw/zinc/26/95/74/361269574.db2.gz OJWSSYITSPFPEJ-UHFFFAOYSA-N -1 0 296.323 2.217 50 0 CEAARM O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000004175227 361303563 /nfs/dbraw/zinc/30/35/63/361303563.db2.gz GIEVPAJFDYLFCM-DNIRFERGSA-N -1 0 259.305 2.372 50 0 CEAARM CC1=C(C)C[C@@H](C(=O)NCc2ccccn2)[C@H](C(=O)[O-])C1 ZINC000004347872 361313492 /nfs/dbraw/zinc/31/34/92/361313492.db2.gz DRPDOORITXZZMV-ZIAGYGMSSA-N -1 0 288.347 2.145 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000238034266 304102812 /nfs/dbraw/zinc/10/28/12/304102812.db2.gz BXDPUVZBYGWYRZ-MCIONIFRSA-N -1 0 291.322 2.395 50 0 CEAARM COC(=O)c1c(C)c(C)sc1NC(=O)CCCC(=O)[O-] ZINC000004651883 361324032 /nfs/dbraw/zinc/32/40/32/361324032.db2.gz FPIVQEQMIAIMBF-UHFFFAOYSA-N -1 0 299.348 2.345 50 0 CEAARM CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000005164544 361330492 /nfs/dbraw/zinc/33/04/92/361330492.db2.gz PWAARTQYEXQUDY-NSHDSACASA-N -1 0 256.346 2.071 50 0 CEAARM O=C([O-])Cc1csc(NC(=O)/C=C/c2ccccc2)n1 ZINC000012022082 361371238 /nfs/dbraw/zinc/37/12/38/361371238.db2.gz IKCNINICQKOPEY-VOTSOKGWSA-N -1 0 288.328 2.422 50 0 CEAARM CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000010684135 361354335 /nfs/dbraw/zinc/35/43/35/361354335.db2.gz AQPMQYUBYQQCDZ-JTQLQIEISA-N -1 0 292.335 2.018 50 0 CEAARM O=C([O-])C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000011567994 361359314 /nfs/dbraw/zinc/35/93/14/361359314.db2.gz TTZRXFHPBCBONK-UHFFFAOYSA-N -1 0 283.331 2.445 50 0 CEAARM CCCN(CC1CC1)C(=O)COc1ccccc1C(=O)[O-] ZINC000013409920 361427736 /nfs/dbraw/zinc/42/77/36/361427736.db2.gz HFMDZEQETCCLEE-UHFFFAOYSA-N -1 0 291.347 2.412 50 0 CEAARM COc1ccc2nc(C)cc(SC[C@@H](O)C(=O)[O-])c2c1 ZINC000013689882 361437456 /nfs/dbraw/zinc/43/74/56/361437456.db2.gz VJRBDDJVJZUHLQ-GFCCVEGCSA-N -1 0 293.344 2.089 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000013758427 361441112 /nfs/dbraw/zinc/44/11/12/361441112.db2.gz MYYQPSOBPGLTMO-CABZTGNLSA-N -1 0 280.324 2.316 50 0 CEAARM COc1ccc(CCNc2ncccc2C(=O)[O-])cc1 ZINC000013090557 361418399 /nfs/dbraw/zinc/41/83/99/361418399.db2.gz LWHJZHFTRRSSLL-UHFFFAOYSA-N -1 0 272.304 2.443 50 0 CEAARM CC(=O)c1cccc(Nc2nc(=O)c(C(C)(C)C)n[n-]2)c1 ZINC000016807232 361498673 /nfs/dbraw/zinc/49/86/73/361498673.db2.gz UIVUJNCETIJVHV-UHFFFAOYSA-N -1 0 286.335 2.409 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCCCC1 ZINC000000276471 304107129 /nfs/dbraw/zinc/10/71/29/304107129.db2.gz WFIVKODHWKTHAC-NWDGAFQWSA-N -1 0 253.342 2.326 50 0 CEAARM Cc1cc2c3nnc(SCC(=O)[O-])nc3[nH]c2c(C)c1 ZINC000019735268 361548648 /nfs/dbraw/zinc/54/86/48/361548648.db2.gz ZSTRBSZLCAUYEO-UHFFFAOYSA-N -1 0 288.332 2.300 50 0 CEAARM O=C(NC1CC1)c1ccc2sc(=S)[n-]c2c1 ZINC000023128316 361593521 /nfs/dbraw/zinc/59/35/21/361593521.db2.gz ZSWYOJZQOZFCRX-UHFFFAOYSA-N -1 0 250.348 2.477 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1CO ZINC000029011344 361679346 /nfs/dbraw/zinc/67/93/46/361679346.db2.gz VDTFVDSTZRBDPD-UHFFFAOYSA-N -1 0 265.309 2.008 50 0 CEAARM COc1ccc(C)cc1-c1c(C)nn(C)c1C(=O)[O-] ZINC000084612910 363815801 /nfs/dbraw/zinc/81/58/01/363815801.db2.gz DFWIZJYXLIOQSM-UHFFFAOYSA-N -1 0 260.293 2.411 50 0 CEAARM CC(C)(NC(=O)c1ccc(F)cc1)C(C)(C)C(=O)[O-] ZINC000087622191 363863762 /nfs/dbraw/zinc/86/37/62/363863762.db2.gz MWFWMLUVSMTNPK-UHFFFAOYSA-N -1 0 267.300 2.445 50 0 CEAARM C[C@H]1C[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237541314 370731151 /nfs/dbraw/zinc/73/11/51/370731151.db2.gz UIULGSVFZNOMMG-FZMZJTMJSA-N -1 0 291.347 2.202 50 0 CEAARM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000237542356 370731172 /nfs/dbraw/zinc/73/11/72/370731172.db2.gz BQDOSHIMJGYUHK-PWSUYJOCSA-N -1 0 279.311 2.252 50 0 CEAARM C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237392880 370717781 /nfs/dbraw/zinc/71/77/81/370717781.db2.gz BYKJEMHNXWATRC-VXGBXAGGSA-N -1 0 283.368 2.047 50 0 CEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C1CCOCC1 ZINC000237643750 370741368 /nfs/dbraw/zinc/74/13/68/370741368.db2.gz IMAUMMRIMAXAAP-AWEZNQCLSA-N -1 0 291.347 2.054 50 0 CEAARM Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@H](C(=O)[O-])C3)cc21 ZINC000237663169 370743179 /nfs/dbraw/zinc/74/31/79/370743179.db2.gz MTCLZQVZWIEXEU-VIFPVBQESA-N -1 0 290.294 2.162 50 0 CEAARM O=C([O-])CN(C(=O)[C@@H]1SCCc2sccc21)C1CC1 ZINC000238079699 370769640 /nfs/dbraw/zinc/76/96/40/370769640.db2.gz LAOIYLDEAKFJEC-GFCCVEGCSA-N -1 0 297.401 2.154 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000095031161 364324376 /nfs/dbraw/zinc/32/43/76/364324376.db2.gz DKZCDYVVFJAIKU-OLZOCXBDSA-N -1 0 283.368 2.049 50 0 CEAARM Cc1ccc([C@H](C(=O)[O-])N(C)Cc2cnn(C)c2)cc1C ZINC000095353883 364343818 /nfs/dbraw/zinc/34/38/18/364343818.db2.gz OCRDZORVUBJORH-OAHLLOKOSA-N -1 0 287.363 2.295 50 0 CEAARM CCCCCC(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000095425566 364370440 /nfs/dbraw/zinc/37/04/40/364370440.db2.gz HDLDCAWKKBAZDS-UHFFFAOYSA-N -1 0 293.363 2.389 50 0 CEAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000095424689 364371095 /nfs/dbraw/zinc/37/10/95/364371095.db2.gz YIUPPKMVUPDGCN-SNVBAGLBSA-N -1 0 277.320 2.021 50 0 CEAARM O=C(c1c([O-])cc(F)cc1F)N(C[C@H]1CCOC1)C1CC1 ZINC000095429588 364372611 /nfs/dbraw/zinc/37/26/11/364372611.db2.gz LFYOMZZWUNWZIA-SECBINFHSA-N -1 0 297.301 2.312 50 0 CEAARM CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1(C)C ZINC000095884108 364392863 /nfs/dbraw/zinc/39/28/63/364392863.db2.gz VTFQKTAQTXZWSV-YMTOWFKASA-N -1 0 287.356 2.170 50 0 CEAARM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)[O-])C(F)(F)C1 ZINC000095626798 364393276 /nfs/dbraw/zinc/39/32/76/364393276.db2.gz VACJWZRQZZXARM-MRVPVSSYSA-N -1 0 279.283 2.353 50 0 CEAARM CCOC(=O)C1=C([O-])c2cc3ccccc3n2CC1 ZINC000096034786 364398746 /nfs/dbraw/zinc/39/87/46/364398746.db2.gz HEIMNSGXIMITRM-LLVKDONJSA-N -1 0 257.289 2.407 50 0 CEAARM COCCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357251 364344412 /nfs/dbraw/zinc/34/44/12/364344412.db2.gz BMTBNQKPJOPECD-CQSZACIVSA-N -1 0 291.347 2.127 50 0 CEAARM CCc1ncc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000097045074 364430040 /nfs/dbraw/zinc/43/00/40/364430040.db2.gz SCVKGGQYMGOVPK-JTQLQIEISA-N -1 0 296.392 2.423 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000108655174 304116454 /nfs/dbraw/zinc/11/64/54/304116454.db2.gz VYVXNHMOAXGOQR-CHWSQXEVSA-N -1 0 273.332 2.467 50 0 CEAARM CCc1nn2c([n-]1)nc(C)c(Cc1ccccc1C)c2=O ZINC000100131695 364539823 /nfs/dbraw/zinc/53/98/23/364539823.db2.gz IRWIMMYDCQDLOQ-UHFFFAOYSA-N -1 0 282.347 2.188 50 0 CEAARM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C1(C(=O)[O-])CC1 ZINC000118985034 365195955 /nfs/dbraw/zinc/19/59/55/365195955.db2.gz KIQXXUPPLBKFHI-AAEUAGOBSA-N -1 0 273.332 2.256 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000164436111 367286489 /nfs/dbraw/zinc/28/64/89/367286489.db2.gz GTXAZYVEUDKWAC-ZETCQYMHSA-N -1 0 271.675 2.026 50 0 CEAARM CN(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000171300233 367518457 /nfs/dbraw/zinc/51/84/57/367518457.db2.gz VGTSBGOKKIZLJU-UHFFFAOYSA-N -1 0 299.754 2.459 50 0 CEAARM C[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000237500897 296103964 /nfs/dbraw/zinc/10/39/64/296103964.db2.gz ZZOZMDOTZQTBTJ-RXMQYKEDSA-N -1 0 293.653 2.144 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000108491272 304140199 /nfs/dbraw/zinc/14/01/99/304140199.db2.gz TVFGZWKEGBWVQO-HOSYDEDBSA-N -1 0 279.723 2.164 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000230176544 189806808 /nfs/dbraw/zinc/80/68/08/189806808.db2.gz IQVLHWFHSQSKIA-BREBYQMCSA-N -1 0 295.285 2.253 50 0 CEAARM O=C(c1ccncc1[O-])N1CCC[C@@H]1c1nccs1 ZINC000223452311 370265026 /nfs/dbraw/zinc/26/50/26/370265026.db2.gz OCTFOGIZWXRWQU-SNVBAGLBSA-N -1 0 275.333 2.221 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@H]2COc3ccccc32)C1 ZINC000246708102 370997229 /nfs/dbraw/zinc/99/72/29/370997229.db2.gz LADFQHXIMILKGF-LOWVWBTDSA-N -1 0 289.331 2.127 50 0 CEAARM CCC(CC)c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])on1 ZINC000236714075 370613604 /nfs/dbraw/zinc/61/36/04/370613604.db2.gz LKCLGHRLDQYPQE-LLVKDONJSA-N -1 0 280.324 2.267 50 0 CEAARM O=C([O-])[C@@]1(NC(=O)c2cc3ccccc3o2)CCSC1 ZINC000043508461 304164605 /nfs/dbraw/zinc/16/46/05/304164605.db2.gz QWKJUZBCHHXAKP-CQSZACIVSA-N -1 0 291.328 2.123 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1nccs1 ZINC000262104240 371823457 /nfs/dbraw/zinc/82/34/57/371823457.db2.gz CWRNTVJBCLGQIQ-LLVKDONJSA-N -1 0 296.392 2.322 50 0 CEAARM C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1F ZINC000237339291 189872778 /nfs/dbraw/zinc/87/27/78/189872778.db2.gz KBADBJSRCCXDNQ-QWRGUYRKSA-N -1 0 279.311 2.252 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237507813 189879223 /nfs/dbraw/zinc/87/92/23/189879223.db2.gz KCQWYDACXVOHOL-KOLCDFICSA-N -1 0 297.301 2.424 50 0 CEAARM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000037425150 304174098 /nfs/dbraw/zinc/17/40/98/304174098.db2.gz NHNIMDNNPOIASO-NSHDSACASA-N -1 0 290.146 2.451 50 0 CEAARM O=C([O-])[C@H]1CC(=O)c2cc(Cl)cc(Cl)c2O1 ZINC000003135510 304175004 /nfs/dbraw/zinc/17/50/04/304175004.db2.gz LIPTYXILAZJPJH-MRVPVSSYSA-N -1 0 261.060 2.412 50 0 CEAARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cncs1 ZINC000000195138 304175730 /nfs/dbraw/zinc/17/57/30/304175730.db2.gz HCZAVVHZSLJLKD-YUMQZZPRSA-N -1 0 286.740 2.315 50 0 CEAARM Cc1cnn(C)c1/C=C/c1nc(C(=O)[O-])c(C)s1 ZINC000287043977 376136647 /nfs/dbraw/zinc/13/66/47/376136647.db2.gz IDWRQPCRDVXURS-SNAWJCMRSA-N -1 0 263.322 2.362 50 0 CEAARM CCc1nnc(C)cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000262326160 190052637 /nfs/dbraw/zinc/05/26/37/190052637.db2.gz RSJXBMOLCYLNRD-UHFFFAOYSA-N -1 0 299.330 2.227 50 0 CEAARM Cc1scc(C(=O)N2CCC[C@H]2CC(=O)[O-])c1C ZINC000262977158 190065525 /nfs/dbraw/zinc/06/55/25/190065525.db2.gz PANXDHTYSCEIMO-JTQLQIEISA-N -1 0 267.350 2.444 50 0 CEAARM CCN(CC(F)F)C(=O)c1ccc(C(=O)[O-])s1 ZINC000263349870 190067852 /nfs/dbraw/zinc/06/78/52/190067852.db2.gz PDNXWMHRZYXJKX-UHFFFAOYSA-N -1 0 263.265 2.174 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000000358652 304207374 /nfs/dbraw/zinc/20/73/74/304207374.db2.gz QBBPKILWLZTVIC-OAHLLOKOSA-N -1 0 281.311 2.338 50 0 CEAARM CCO[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC000332499982 377626322 /nfs/dbraw/zinc/62/63/22/377626322.db2.gz ZAPGUGINVJVHFW-DTORHVGOSA-N -1 0 287.718 2.482 50 0 CEAARM Cc1oc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1C(=O)[O-] ZINC000299742326 379125452 /nfs/dbraw/zinc/12/54/52/379125452.db2.gz BFFCHADJUYXHIQ-GXSJLCMTSA-N -1 0 295.335 2.250 50 0 CEAARM Cc1oc(CNC(=O)CC[C@@H]2CC[C@@H](C)O2)cc1C(=O)[O-] ZINC000299742327 379125561 /nfs/dbraw/zinc/12/55/61/379125561.db2.gz BFFCHADJUYXHIQ-KOLCDFICSA-N -1 0 295.335 2.250 50 0 CEAARM CCCn1ncnc1[C@@H](C)NC(=O)c1ccc(F)cc1[O-] ZINC000299795480 379142811 /nfs/dbraw/zinc/14/28/11/379142811.db2.gz KQLNTWLXGJLMJC-SECBINFHSA-N -1 0 292.314 2.024 50 0 CEAARM O=C([O-])c1c(O)cnc2cc(Br)ccc21 ZINC000032099832 304217748 /nfs/dbraw/zinc/21/77/48/304217748.db2.gz JPYHBUVBLYNQRC-UHFFFAOYSA-N -1 0 268.066 2.401 50 0 CEAARM O=C([O-])c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3)cn2n1 ZINC000071328508 304228213 /nfs/dbraw/zinc/22/82/13/304228213.db2.gz 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/nfs/dbraw/zinc/25/28/99/304252899.db2.gz ZAELHLRWNXWVCY-UHFFFAOYSA-N -1 0 297.310 2.306 50 0 CEAARM O=C([O-])c1cccc(F)c1I ZINC000014989299 304260765 /nfs/dbraw/zinc/26/07/65/304260765.db2.gz CXPLPVNWMLRKTO-UHFFFAOYSA-N -1 0 266.009 2.129 50 0 CEAARM c1ccc(CN=c2[n-]nc(NC3CCCCC3)o2)cc1 ZINC000521398292 256853637 /nfs/dbraw/zinc/85/36/37/256853637.db2.gz PNZAEVIBMYUGTR-UHFFFAOYSA-N -1 0 272.352 2.270 50 0 CEAARM O=C([O-])c1cnn2c1nccc2-c1ccc(F)cc1 ZINC000002537089 304280205 /nfs/dbraw/zinc/28/02/05/304280205.db2.gz YQVLCLXOLYVNPT-UHFFFAOYSA-N -1 0 257.224 2.234 50 0 CEAARM CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000000538545 169664662 /nfs/dbraw/zinc/66/46/62/169664662.db2.gz OJJMIRXNEXZVIL-LBPRGKRZSA-N -1 0 280.324 2.316 50 0 CEAARM Cc1nn([C@@H](C)CC(=O)[O-])c(C)c1Br ZINC000000818915 169680407 /nfs/dbraw/zinc/68/04/07/169680407.db2.gz FUQXNUHEEQWCAN-YFKPBYRVSA-N -1 0 261.119 2.298 50 0 CEAARM CCCS(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000095448008 184988212 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294.092 2.157 50 0 CEAARM CC(=O)c1c([O-])c2cccc3c2n(c1=O)[C@H](C)CC3 ZINC000100293450 278241893 /nfs/dbraw/zinc/24/18/93/278241893.db2.gz AULBYJMXABZCQH-MRVPVSSYSA-N -1 0 257.289 2.417 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1 ZINC000095348152 278394818 /nfs/dbraw/zinc/39/48/18/278394818.db2.gz ZTQAPANOXVJNDD-NSHDSACASA-N -1 0 295.339 2.153 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])CC[C@@H]2C1 ZINC000091302514 278417173 /nfs/dbraw/zinc/41/71/73/278417173.db2.gz CPOZYRAAEGVJCM-MXWKQRLJSA-N -1 0 269.341 2.354 50 0 CEAARM Cc1cc(C)nc(Nc2nc(=O)c3sccc3[n-]2)n1 ZINC000057531152 278684246 /nfs/dbraw/zinc/68/42/46/278684246.db2.gz FPWAYFPIFMMKSF-UHFFFAOYSA-N -1 0 273.321 2.135 50 0 CEAARM CC(C)[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000005043587 279888898 /nfs/dbraw/zinc/88/88/98/279888898.db2.gz YPCGYECCGQHRIJ-RRHJKOLHSA-N -1 0 294.395 2.364 50 0 CEAARM COc1cccc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000208205441 280206259 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170045898 /nfs/dbraw/zinc/04/58/98/170045898.db2.gz YRYGJOFRZIYGQS-ABAIWWIYSA-N -1 0 279.336 2.423 50 0 CEAARM C[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000005422715 170097881 /nfs/dbraw/zinc/09/78/81/170097881.db2.gz UIFJDQMUQYXNJW-ZCFIWIBFSA-N -1 0 287.113 2.044 50 0 CEAARM CCn1nc(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000005557325 170112882 /nfs/dbraw/zinc/11/28/82/170112882.db2.gz SBUSIAGUGPQSRP-NEPJUHHUSA-N -1 0 293.367 2.349 50 0 CEAARM O=S(=O)([O-])CCCCC(Cl)(Cl)Cl ZINC000005620469 170120898 /nfs/dbraw/zinc/12/08/98/170120898.db2.gz GFLHAIRBTSUYNV-UHFFFAOYSA-N -1 0 255.550 2.415 50 0 CEAARM COc1ccc(Nc2nc3[nH]c(=O)cc([O-])c3s2)cc1 ZINC000005800078 170141569 /nfs/dbraw/zinc/14/15/69/170141569.db2.gz XTEYHQOCUFPHQB-UHFFFAOYSA-N -1 0 289.316 2.442 50 0 CEAARM O=C([O-])CSCc1cn2cc(Cl)ccc2n1 ZINC000006161253 170180312 /nfs/dbraw/zinc/18/03/12/170180312.db2.gz MZUFYIJUSIHQBD-UHFFFAOYSA-N -1 0 256.714 2.306 50 0 CEAARM Cn1c(CCc2nc3ccccc3[nH]2)n[nH]c1=S ZINC000006493845 170206655 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ZINC000043583364 175070415 /nfs/dbraw/zinc/07/04/15/175070415.db2.gz JGDSWUJTMIDVBJ-LBPRGKRZSA-N -1 0 261.321 2.404 50 0 CEAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1F ZINC000063055299 175681507 /nfs/dbraw/zinc/68/15/07/175681507.db2.gz XXLWDFBVLQOTFY-UHFFFAOYSA-N -1 0 265.284 2.071 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000071285645 176109835 /nfs/dbraw/zinc/10/98/35/176109835.db2.gz QUNZOAOWGMLKQX-OLZOCXBDSA-N -1 0 299.330 2.372 50 0 CEAARM Cc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000071731292 176255907 /nfs/dbraw/zinc/25/59/07/176255907.db2.gz MGWYFWLHTVLBAO-LLVKDONJSA-N -1 0 261.321 2.320 50 0 CEAARM O=C([O-])c1n[nH]cc1CN1CC[C@H]1c1ccc(F)cc1 ZINC000071760247 176261338 /nfs/dbraw/zinc/26/13/38/176261338.db2.gz QRYKHGUDJFEWAA-LBPRGKRZSA-N -1 0 275.283 2.194 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002389678 287657638 /nfs/dbraw/zinc/65/76/38/287657638.db2.gz JSHXJPFZKBRLFU-CMPLNLGQSA-N -1 0 265.309 2.412 50 0 CEAARM CC(C)(C)c1ncsc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097039269 278574074 /nfs/dbraw/zinc/57/40/74/278574074.db2.gz XDEWLZDVPQUORN-DTWKUNHWSA-N -1 0 296.392 2.424 50 0 CEAARM CC(C)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000009195168 279188873 /nfs/dbraw/zinc/18/88/73/279188873.db2.gz HZXHZEICTRNPKQ-SRVKXCTJSA-N -1 0 255.358 2.428 50 0 CEAARM CC1CCC(=CC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000136119777 281709002 /nfs/dbraw/zinc/70/90/02/281709002.db2.gz LCYPIKXFESPTQT-YUZLPWPTSA-N -1 0 265.353 2.446 50 0 CEAARM CN1C(=O)[C@@H]2CC=CC[C@@]2(C(=O)[O-])[C@@H]1c1ccccc1 ZINC000216260391 289856287 /nfs/dbraw/zinc/85/62/87/289856287.db2.gz SKNILECKEROAPM-XEZPLFJOSA-N -1 0 271.316 2.237 50 0 CEAARM COc1ccc(-c2cncc(C(=O)[O-])c2)cc1C=O ZINC000299803841 295047261 /nfs/dbraw/zinc/04/72/61/295047261.db2.gz GUOQLCFVCMPFMZ-UHFFFAOYSA-N -1 0 257.245 2.268 50 0 CEAARM O=C(c1ccccc1)[C@@H]1CCCC[C@@H]1S(=O)(=O)[O-] ZINC000002924367 304563537 /nfs/dbraw/zinc/56/35/37/304563537.db2.gz 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ZINC000534584125 328310625 /nfs/dbraw/zinc/31/06/25/328310625.db2.gz BMFIPVRRUDVXLS-MFORYBBRSA-N -1 0 293.436 2.258 50 0 CEAARM Cc1nn(C)c(C(=O)[O-])c1-c1cccc2c1OCC2 ZINC000534637672 328334297 /nfs/dbraw/zinc/33/42/97/328334297.db2.gz VTSZERVBXABRSK-UHFFFAOYSA-N -1 0 258.277 2.029 50 0 CEAARM CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268941819 330067060 /nfs/dbraw/zinc/06/70/60/330067060.db2.gz KPGWBRHMWZEDED-NEPJUHHUSA-N -1 0 273.288 2.112 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000068038261 525701242 /nfs/dbraw/zinc/70/12/42/525701242.db2.gz RPSSHSGJJIJGHV-UHFFFAOYSA-N -1 0 282.752 2.266 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000097018042 527931826 /nfs/dbraw/zinc/93/18/26/527931826.db2.gz HLISLSHSWKNRBJ-OLZOCXBDSA-N -1 0 261.321 2.032 50 0 CEAARM C/C(=C\C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000584907969 600018762 /nfs/dbraw/zinc/01/87/62/600018762.db2.gz JWJSCZSWSNHUDU-IEZBTEQYSA-N -1 0 273.332 2.413 50 0 CEAARM CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)[O-])C1 ZINC000950757143 613974498 /nfs/dbraw/zinc/97/44/98/613974498.db2.gz AHMCTYIYZALHGR-JTQLQIEISA-N -1 0 269.341 2.498 50 0 CEAARM Cc1n[nH]c(SC(=Cc2ccccc2)C(=O)[O-])n1 ZINC000005955447 628944252 /nfs/dbraw/zinc/94/42/52/628944252.db2.gz WOHCJTFSOQCTBE-JXMROGBWSA-N -1 0 261.306 2.331 50 0 CEAARM CCNc1ccccc1S(=O)(=O)[N-]C(=O)CC(C)(C)C ZINC000864087017 646894668 /nfs/dbraw/zinc/89/46/68/646894668.db2.gz PLQFMCFEPVODFT-UHFFFAOYSA-N -1 0 298.408 2.360 50 0 CEAARM Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1C(=O)[O-] ZINC000071745373 813252112 /nfs/dbraw/zinc/25/21/12/813252112.db2.gz NYQCNEZHMGPKBQ-NSHDSACASA-N -1 0 290.323 2.050 50 0 CEAARM CCCCCOCC(=O)[N-]OCc1cccc(C)n1 ZINC000585128851 813694510 /nfs/dbraw/zinc/69/45/10/813694510.db2.gz PEVWXHIHQTYCAA-UHFFFAOYSA-N -1 0 266.341 2.145 50 0 CEAARM COc1ccccc1[C@H](CNC(=O)C(C)(C)C)C(=O)[O-] ZINC000095470422 184996486 /nfs/dbraw/zinc/99/64/86/184996486.db2.gz NIZRGGZEQQGTNZ-NSHDSACASA-N -1 0 279.336 2.026 50 0 CEAARM Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000095961818 185044473 /nfs/dbraw/zinc/04/44/73/185044473.db2.gz OLKGZYZGFRLNEW-WDEREUQCSA-N -1 0 265.284 2.117 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1 ZINC000095969637 185047950 /nfs/dbraw/zinc/04/79/50/185047950.db2.gz VEOLYVKDORMVIC-ZDUSSCGKSA-N -1 0 279.311 2.224 50 0 CEAARM O=C([O-])CN(C(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000037588494 361906909 /nfs/dbraw/zinc/90/69/09/361906909.db2.gz VBXXLUXQVMOHOY-UHFFFAOYSA-N -1 0 271.675 2.168 50 0 CEAARM Cc1ccc(C)c(CC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000097009466 185151790 /nfs/dbraw/zinc/15/17/90/185151790.db2.gz YNOYUSFVCMWOPG-GXTWGEPZSA-N -1 0 275.348 2.215 50 0 CEAARM Cc1cccc(C[C@H](CNC(=O)c2ccco2)C(=O)[O-])c1 ZINC000097018782 185152487 /nfs/dbraw/zinc/15/24/87/185152487.db2.gz JVDGUQPDTBCEDR-CYBMUJFWSA-N -1 0 287.315 2.261 50 0 CEAARM Cc1ccccc1C[C@@H](CNC(=O)C1CCC1)C(=O)[O-] ZINC000097018819 185152911 /nfs/dbraw/zinc/15/29/11/185152911.db2.gz LZBXMXNURCIPBT-AWEZNQCLSA-N -1 0 275.348 2.155 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000037794833 361940429 /nfs/dbraw/zinc/94/04/29/361940429.db2.gz XOJKWTHZYDAGPF-LSJOCFKGSA-N -1 0 273.288 2.331 50 0 CEAARM O=C([O-])CSc1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000039393055 361989623 /nfs/dbraw/zinc/98/96/23/361989623.db2.gz YIMXKGNILPFLGQ-UHFFFAOYSA-N -1 0 290.300 2.049 50 0 CEAARM CC[C@@H](C)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000621609274 349643245 /nfs/dbraw/zinc/64/32/45/349643245.db2.gz JDOCWSIQQYNEJR-RNFRBKRXSA-N -1 0 256.327 2.065 50 0 CEAARM CCO[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000042426595 362093922 /nfs/dbraw/zinc/09/39/22/362093922.db2.gz IVOFLNIIJLNMNT-ZDUSSCGKSA-N -1 0 277.320 2.026 50 0 CEAARM CCO[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000042426594 362094089 /nfs/dbraw/zinc/09/40/89/362094089.db2.gz IVOFLNIIJLNMNT-CYBMUJFWSA-N -1 0 277.320 2.026 50 0 CEAARM CCCCCNC(=O)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000019893193 343375758 /nfs/dbraw/zinc/37/57/58/343375758.db2.gz RAGWMTNGNXEHES-UHFFFAOYSA-N -1 0 292.335 2.020 50 0 CEAARM Cc1noc(C)c1CS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000047940114 362232595 /nfs/dbraw/zinc/23/25/95/362232595.db2.gz MKONWYDHGQJNEC-UHFFFAOYSA-N -1 0 291.332 2.142 50 0 CEAARM O=c1cnnc(Nc2ccc(N3CCCCC3)cc2)[n-]1 ZINC000008741435 136394857 /nfs/dbraw/zinc/39/48/57/136394857.db2.gz BDYNJKROEPRYNF-UHFFFAOYSA-N -1 0 271.324 2.311 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2F)no1 ZINC000075092355 343837213 /nfs/dbraw/zinc/83/72/13/343837213.db2.gz YPRBYSIZEZKHAE-UHFFFAOYSA-N -1 0 270.285 2.231 50 0 CEAARM C/C=C(/C)C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000097231314 344244192 /nfs/dbraw/zinc/24/41/92/344244192.db2.gz FXJCEBMVHHYYPK-KMKOMSMNSA-N -1 0 285.303 2.475 50 0 CEAARM C/C=C(/C)C(=O)NC[C@@H](Cc1ccccc1C)C(=O)[O-] ZINC000097231258 344243993 /nfs/dbraw/zinc/24/39/93/344243993.db2.gz BDMXNIOOEHEJSJ-CNRJSHIUSA-N -1 0 275.348 2.321 50 0 CEAARM CC(C)=C(F)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000195550762 344521294 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ZINC000097050125 185515915 /nfs/dbraw/zinc/51/59/15/185515915.db2.gz WRJQXJXNHFVYJW-QMMMGPOBSA-N -1 0 268.338 2.293 50 0 CEAARM Cc1cnc([N-]S(=O)(=O)c2cccs2)s1 ZINC000057721774 362593361 /nfs/dbraw/zinc/59/33/61/362593361.db2.gz MIDMNXYWBAXVFC-UHFFFAOYSA-N -1 0 260.365 2.314 50 0 CEAARM Cc1ccc(OCCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1C ZINC000062118229 362709363 /nfs/dbraw/zinc/70/93/63/362709363.db2.gz DNQZTKQXIVDRTN-ZDUSSCGKSA-N -1 0 291.347 2.005 50 0 CEAARM Cc1cc(C)cc(OCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062118234 362709409 /nfs/dbraw/zinc/70/94/09/362709409.db2.gz PLIIYMOMMMTSSA-CYBMUJFWSA-N -1 0 291.347 2.005 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000062912859 362733062 /nfs/dbraw/zinc/73/30/62/362733062.db2.gz UYBHGRFXSSIUGU-ZDUSSCGKSA-N -1 0 285.702 2.416 50 0 CEAARM Cc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)[nH]n1 ZINC000063846268 362776788 /nfs/dbraw/zinc/77/67/88/362776788.db2.gz CEJIQXNFFSGWCF-CQSZACIVSA-N -1 0 291.326 2.423 50 0 CEAARM Cc1cc([C@H]2CCCN2Cc2ncccc2C(=O)[O-])on1 ZINC000065374378 362811944 /nfs/dbraw/zinc/81/19/44/362811944.db2.gz SSIOMYARXNNPHW-CYBMUJFWSA-N -1 0 287.319 2.413 50 0 CEAARM C[C@H](c1nccs1)N(C)Cc1ncccc1C(=O)[O-] ZINC000065435996 362822956 /nfs/dbraw/zinc/82/29/56/362822956.db2.gz RAAXMLBAWMKFCH-SECBINFHSA-N -1 0 277.349 2.429 50 0 CEAARM C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000128520169 187375393 /nfs/dbraw/zinc/37/53/93/187375393.db2.gz LOLPBVBRXUDCLE-QWHCGFSZSA-N -1 0 297.395 2.438 50 0 CEAARM CCONC(=O)Nc1ccc(Br)c(C)n1 ZINC000128859686 187394971 /nfs/dbraw/zinc/39/49/71/187394971.db2.gz LOPVRGXZEFTMPT-UHFFFAOYSA-N -1 0 274.118 2.226 50 0 CEAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000090231472 179936663 /nfs/dbraw/zinc/93/66/63/179936663.db2.gz WDLZLNIQHQBIGJ-UHFFFAOYSA-N -1 0 287.291 2.106 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000092237417 180349814 /nfs/dbraw/zinc/34/98/14/180349814.db2.gz KBFPDIWCIMTMTG-NSHDSACASA-N -1 0 279.361 2.199 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)CC[C@@H]2CCCCO2)C1 ZINC000069385950 362964388 /nfs/dbraw/zinc/96/43/88/362964388.db2.gz WMJRJZBTUGLODM-KGLIPLIRSA-N -1 0 297.395 2.439 50 0 CEAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(F)cc2C)c1C ZINC000069592054 362983281 /nfs/dbraw/zinc/98/32/81/362983281.db2.gz WRQUZGDMCPMIDI-UHFFFAOYSA-N -1 0 297.355 2.285 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000111288498 186390701 /nfs/dbraw/zinc/39/07/01/186390701.db2.gz LXCNJBPJOMLNQC-HNNXBMFYSA-N -1 0 272.304 2.105 50 0 CEAARM O=C([O-])CCCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000070197780 363053638 /nfs/dbraw/zinc/05/36/38/363053638.db2.gz HIWIJUAORTVEJU-GFCCVEGCSA-N -1 0 297.738 2.015 50 0 CEAARM O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)C1CCCCCC1 ZINC000630273689 351676637 /nfs/dbraw/zinc/67/66/37/351676637.db2.gz SBQMDTQYIRIUEN-GXTWGEPZSA-N -1 0 297.395 2.343 50 0 CEAARM CCC(CC)N(CC)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630290200 351680531 /nfs/dbraw/zinc/68/05/31/351680531.db2.gz DYIUHYSTOQYAIL-UHFFFAOYSA-N -1 0 264.325 2.431 50 0 CEAARM CC(C)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000136120878 187865200 /nfs/dbraw/zinc/86/52/00/187865200.db2.gz GMRYRFVIDGPKJO-JTQLQIEISA-N -1 0 281.377 2.349 50 0 CEAARM O=C([O-])C1(NC(=O)[C@@H]2CC23CCCC3)CCCC1 ZINC000095969646 304031211 /nfs/dbraw/zinc/03/12/11/304031211.db2.gz NNVZJERTPQZWEP-JTQLQIEISA-N -1 0 251.326 2.080 50 0 CEAARM Cc1ccnc(-c2ccc(NC(=O)C3(C(=O)[O-])CC3)cc2)n1 ZINC000154899711 188169138 /nfs/dbraw/zinc/16/91/38/188169138.db2.gz HNWZFJCWAOUAII-UHFFFAOYSA-N -1 0 297.314 2.255 50 0 CEAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169967196 539989753 /nfs/dbraw/zinc/98/97/53/539989753.db2.gz GIHBAHKYQKLNRE-ZJUUUORDSA-N -1 0 287.237 2.010 50 0 CEAARM Cc1nc(CCCC(=O)N2CCCC[C@H]2C(=O)[O-])cs1 ZINC000159911883 188446669 /nfs/dbraw/zinc/44/66/69/188446669.db2.gz WSDJISIMOFGLQN-LBPRGKRZSA-N -1 0 296.392 2.240 50 0 CEAARM COC(=O)c1ccc(/C=C/c2ncc(C(=O)[O-])s2)o1 ZINC000169975200 540018813 /nfs/dbraw/zinc/01/88/13/540018813.db2.gz 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/nfs/dbraw/zinc/85/21/49/538852149.db2.gz MAWZNIZOFRGPMA-UHFFFAOYSA-N -1 0 292.316 2.108 50 0 CEAARM CNC(=O)c1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1 ZINC000338612376 366440012 /nfs/dbraw/zinc/44/00/12/366440012.db2.gz KGNFUCVZWFHREE-DAXSKMNVSA-N -1 0 288.328 2.371 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000236950095 370664652 /nfs/dbraw/zinc/66/46/52/370664652.db2.gz KRNHTDABUUHVSL-DTWKUNHWSA-N -1 0 283.274 2.001 50 0 CEAARM CC[C@H](C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000000318255 361161353 /nfs/dbraw/zinc/16/13/53/361161353.db2.gz HUVLYPNBXNJDQB-KWINOFQJSA-N -1 0 260.293 2.044 50 0 CEAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000000246262 361151638 /nfs/dbraw/zinc/15/16/38/361151638.db2.gz OANXBFKRXPGEGI-UHFFFAOYSA-N -1 0 291.756 2.069 50 0 CEAARM O=C([O-])/C(=C\c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000330289 361161966 /nfs/dbraw/zinc/16/19/66/361161966.db2.gz VBLUHSFFVJULCF-GXDHUFHOSA-N -1 0 293.278 2.408 50 0 CEAARM O=C([O-])CCS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000274517 361155599 /nfs/dbraw/zinc/15/55/99/361155599.db2.gz XEPXUQVDJALYCH-UHFFFAOYSA-N -1 0 283.132 2.242 50 0 CEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 ZINC000000075066 361123734 /nfs/dbraw/zinc/12/37/34/361123734.db2.gz MZLDSYCNJZQTAJ-ZDUSSCGKSA-N -1 0 298.298 2.187 50 0 biogenic,in-vitro CEAARM CC(C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Cl ZINC000000073866 361123773 /nfs/dbraw/zinc/12/37/73/361123773.db2.gz RHHKOKMWWWLYBD-UXBLZVDNSA-N -1 0 280.711 2.308 50 0 CEAARM Cc1ccc([N-]S(=O)(=O)c2cccnc2)cc1C ZINC000000428263 361173348 /nfs/dbraw/zinc/17/33/48/361173348.db2.gz SBSCLHYDFYHGFK-UHFFFAOYSA-N -1 0 262.334 2.499 50 0 CEAARM O=S(=O)([N-]CCc1ccccc1)c1c(F)cccc1F ZINC000000465432 361177683 /nfs/dbraw/zinc/17/76/83/361177683.db2.gz IGKVTXOVMKXGET-UHFFFAOYSA-N -1 0 297.326 2.486 50 0 CEAARM O=C([O-])/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000000499857 361181428 /nfs/dbraw/zinc/18/14/28/361181428.db2.gz BNQXPASBLAJLKD-CMDGGOBGSA-N -1 0 285.299 2.449 50 0 CEAARM O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)nc1 ZINC000000523814 361183350 /nfs/dbraw/zinc/18/33/50/361183350.db2.gz ZXNVTQNRWSYAMZ-UHFFFAOYSA-N -1 0 284.724 2.241 50 0 CEAARM CC(=O)c1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000000542838 361185156 /nfs/dbraw/zinc/18/51/56/361185156.db2.gz PAQGTZYWNTUDPE-LBPRGKRZSA-N -1 0 278.308 2.120 50 0 CEAARM CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000000542043 361185268 /nfs/dbraw/zinc/18/52/68/361185268.db2.gz BDLHUBGGPRHVFV-JTQLQIEISA-N -1 0 294.307 2.036 50 0 CEAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21 ZINC000001081338 361198417 /nfs/dbraw/zinc/19/84/17/361198417.db2.gz UZCCJRDJRMVGLU-HNNXBMFYSA-N -1 0 277.320 2.437 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000000336422 361162705 /nfs/dbraw/zinc/16/27/05/361162705.db2.gz GPHFWWLZHYCCJC-LURJTMIESA-N -1 0 274.103 2.431 50 0 CEAARM Cc1ccc(NC(=O)c2cc(C(=O)[O-])n(C)n2)cc1Cl ZINC000002760954 361249143 /nfs/dbraw/zinc/24/91/43/361249143.db2.gz KNSUTAYRFUYXLN-UHFFFAOYSA-N -1 0 293.710 2.332 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 ZINC000001985798 361225372 /nfs/dbraw/zinc/22/53/72/361225372.db2.gz YWHTWGQMMZQFFQ-ZCFIWIBFSA-N -1 0 274.103 2.431 50 0 CEAARM CSCC[C@H](NC(=O)NCc1ccc(C)cc1)C(=O)[O-] ZINC000002425769 361234768 /nfs/dbraw/zinc/23/47/68/361234768.db2.gz SHBHTDFBPUCXME-LBPRGKRZSA-N -1 0 296.392 2.001 50 0 CEAARM COC(=O)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000002534235 361239355 /nfs/dbraw/zinc/23/93/55/361239355.db2.gz AOXJWRUSHQJOPV-UHFFFAOYSA-N -1 0 276.244 2.343 50 0 CEAARM O=C([O-])CC1(CC(=O)N2CCCC2)CCCCC1 ZINC000003306181 361273633 /nfs/dbraw/zinc/27/36/33/361273633.db2.gz VGBJYXCCEGFPJQ-UHFFFAOYSA-N -1 0 253.342 2.424 50 0 CEAARM Nc1nc2ncc(C(=O)c3cc(F)ccc3[O-])cc2s1 ZINC000003383093 361277590 /nfs/dbraw/zinc/27/75/90/361277590.db2.gz TTXFKJCZESNJRA-UHFFFAOYSA-N -1 0 289.291 2.349 50 0 CEAARM O=C([O-])Cn1cnc2scc(-c3cccs3)c2c1=O ZINC000003491461 361283263 /nfs/dbraw/zinc/28/32/63/361283263.db2.gz MSLFKVXEVUPXNZ-UHFFFAOYSA-N -1 0 292.341 2.271 50 0 CEAARM CC(C)OP(=O)(NCCC(=O)[O-])OC(C)C ZINC000002963817 361259922 /nfs/dbraw/zinc/25/99/22/361259922.db2.gz LJBBYWTZSFUBSL-UHFFFAOYSA-N -1 0 253.235 2.009 50 0 CEAARM CO[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000237079438 370687253 /nfs/dbraw/zinc/68/72/53/370687253.db2.gz MDOAYJVEZYPKFC-LBPRGKRZSA-N -1 0 279.336 2.176 50 0 CEAARM CC(=O)Nc1nc(-c2cccs2)c(CC(=O)[O-])s1 ZINC000011847792 361366259 /nfs/dbraw/zinc/36/62/59/361366259.db2.gz ZZAFKMWONIRBGR-UHFFFAOYSA-N -1 0 282.346 2.457 50 0 CEAARM O=C([O-])[C@H](c1c[nH]c2cc(Cl)ccc21)N1CCOCC1 ZINC000012391749 361381713 /nfs/dbraw/zinc/38/17/13/361381713.db2.gz GTYPOXDDZHZPQQ-ZDUSSCGKSA-N -1 0 294.738 2.279 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000013167102 361421152 /nfs/dbraw/zinc/42/11/52/361421152.db2.gz MREQVMZVLQNXRO-UHFFFAOYSA-N -1 0 285.702 2.416 50 0 CEAARM CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170309 361422129 /nfs/dbraw/zinc/42/21/29/361422129.db2.gz QKIBVFCQACGMJA-LLVKDONJSA-N -1 0 277.320 2.022 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000013170556 361422513 /nfs/dbraw/zinc/42/25/13/361422513.db2.gz BSMLISLHEQSZDM-SSDOTTSWSA-N -1 0 273.741 2.338 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000013786761 361442189 /nfs/dbraw/zinc/44/21/89/361442189.db2.gz RDMXPNRKFPNQAJ-KWQFWETISA-N -1 0 268.288 2.447 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 ZINC000013091851 361418615 /nfs/dbraw/zinc/41/86/15/361418615.db2.gz MTSNMFGWDBZVKQ-UHFFFAOYSA-N -1 0 287.290 2.383 50 0 CEAARM COc1ccc([S@](=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000015827496 361479448 /nfs/dbraw/zinc/47/94/48/361479448.db2.gz SBXGFFXICGTDMR-IBGZPJMESA-N -1 0 280.301 2.294 50 0 CEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000014223572 361453329 /nfs/dbraw/zinc/45/33/29/361453329.db2.gz PBDMTEDJPQEIRV-UHFFFAOYSA-N -1 0 299.302 2.172 50 0 CEAARM CC(C)(C)c1n[n-]c(Nc2cccc(F)c2)nc1=O ZINC000016776969 361498510 /nfs/dbraw/zinc/49/85/10/361498510.db2.gz BINTWTOEXDZQGM-UHFFFAOYSA-N -1 0 262.288 2.345 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cn1 ZINC000017022675 361502682 /nfs/dbraw/zinc/50/26/82/361502682.db2.gz IQMFBRUVFGIXKS-UHFFFAOYSA-N -1 0 291.376 2.193 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCC1CCCC1 ZINC000019261514 361523430 /nfs/dbraw/zinc/52/34/30/361523430.db2.gz FUQSBJNXLKDLNL-GFCCVEGCSA-N -1 0 253.342 2.423 50 0 CEAARM Cc1cc(F)c(C(=O)NCC2(C(=O)[O-])CCC2)cc1F ZINC000678981633 541201403 /nfs/dbraw/zinc/20/14/03/541201403.db2.gz IKISJBSYEZKNHJ-UHFFFAOYSA-N -1 0 283.274 2.258 50 0 CEAARM CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000032098930 361726133 /nfs/dbraw/zinc/72/61/33/361726133.db2.gz BWIMUIWFDXMFLE-JLIMGVALSA-N -1 0 255.314 2.010 50 0 CEAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000090231152 364050835 /nfs/dbraw/zinc/05/08/35/364050835.db2.gz VCTIUKGNAYVIKX-UHFFFAOYSA-N -1 0 287.291 2.106 50 0 CEAARM CCn1c(CN2CCC[C@H]2C(=O)[O-])nc2cc(F)ccc21 ZINC000237213212 370701677 /nfs/dbraw/zinc/70/16/77/370701677.db2.gz WMNAKDITUOUSQP-ZDUSSCGKSA-N -1 0 291.326 2.244 50 0 CEAARM CCn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)[O-] ZINC000237221885 370703055 /nfs/dbraw/zinc/70/30/55/370703055.db2.gz BDUIULYYSCSRQE-ZDUSSCGKSA-N -1 0 273.336 2.278 50 0 CEAARM C[C@H](Cc1ccccc1F)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237557778 370732505 /nfs/dbraw/zinc/73/25/05/370732505.db2.gz XYJWBUZTIKDVCX-LLVKDONJSA-N -1 0 293.338 2.328 50 0 CEAARM CSCc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1F ZINC000237380750 370715994 /nfs/dbraw/zinc/71/59/94/370715994.db2.gz OZIJXJHGTHZINB-LBPRGKRZSA-N -1 0 297.351 2.378 50 0 CEAARM Cc1cccc([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237403680 370718439 /nfs/dbraw/zinc/71/84/39/370718439.db2.gz IVXJIVSWJMZZCN-LBPRGKRZSA-N -1 0 275.348 2.422 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000237970343 370762544 /nfs/dbraw/zinc/76/25/44/370762544.db2.gz MASMVEUYDYMOKF-DTWKUNHWSA-N -1 0 283.274 2.049 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)cn1 ZINC000238001731 370765188 /nfs/dbraw/zinc/76/51/88/370765188.db2.gz KBYJPKPTDJLLHE-AWEZNQCLSA-N -1 0 296.326 2.410 50 0 CEAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000237905175 370758701 /nfs/dbraw/zinc/75/87/01/370758701.db2.gz MECPQBSHWSIPST-OUAUKWLOSA-N -1 0 279.361 2.236 50 0 CEAARM O=C([O-])C1(NC(=O)CCCOc2ccccc2Cl)CC1 ZINC000238075047 370770031 /nfs/dbraw/zinc/77/00/31/370770031.db2.gz AOUZMIXSXMPCJV-UHFFFAOYSA-N -1 0 297.738 2.232 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)CCO3)cc1 ZINC000238134797 370771345 /nfs/dbraw/zinc/77/13/45/370771345.db2.gz KZLGQSGZMURITF-UHFFFAOYSA-N -1 0 297.310 2.250 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1ccc2ccccc21 ZINC000238033405 370766996 /nfs/dbraw/zinc/76/69/96/370766996.db2.gz OXUZFKGEYZPFLO-AWEZNQCLSA-N -1 0 286.331 2.107 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)CCc1ccccc1F)C1CC1 ZINC000095424619 364370982 /nfs/dbraw/zinc/37/09/82/364370982.db2.gz DOHXMPACHRPKKM-SNVBAGLBSA-N -1 0 279.311 2.222 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000095970539 364395022 /nfs/dbraw/zinc/39/50/22/364395022.db2.gz NBUZBKJTPXIAJK-GHMZBOCLSA-N -1 0 283.274 2.001 50 0 CEAARM CCS(=O)(=O)[N-]c1nc(-c2ccccc2C)cs1 ZINC000097098365 364448597 /nfs/dbraw/zinc/44/85/97/364448597.db2.gz FMCAONLBORQPPL-UHFFFAOYSA-N -1 0 282.390 2.302 50 0 CEAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Sc1ccccc1 ZINC000100224395 364541949 /nfs/dbraw/zinc/54/19/49/364541949.db2.gz QGDUFGHDYAYOLT-JQPUBBMISA-N -1 0 290.340 2.039 50 0 CEAARM Cc1ccc(Nn2cc(C(=O)[O-])c(=O)cc2C)cc1 ZINC000100912382 364553264 /nfs/dbraw/zinc/55/32/64/364553264.db2.gz XZFGXCJDTPCIEB-UHFFFAOYSA-N -1 0 258.277 2.039 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1CCC(F)(F)CC1 ZINC000216247739 304117541 /nfs/dbraw/zinc/11/75/41/304117541.db2.gz JQYJEMADIZOTOV-ZJUUUORDSA-N -1 0 275.295 2.181 50 0 CEAARM O=C([O-])[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000011891125 304123000 /nfs/dbraw/zinc/12/30/00/304123000.db2.gz AGIGPQDMAKFWBZ-SSDOTTSWSA-N -1 0 274.103 2.431 50 0 CEAARM O=C([O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000096952295 304123896 /nfs/dbraw/zinc/12/38/96/304123896.db2.gz DHBMXWGCQVIQMR-SSDOTTSWSA-N -1 0 257.083 2.400 50 0 CEAARM Cc1ccccc1C1(C(=O)NCCCC(=O)[O-])CC1 ZINC000178670134 368306987 /nfs/dbraw/zinc/30/69/87/368306987.db2.gz ULPWDLXXGSAIJZ-UHFFFAOYSA-N -1 0 261.321 2.008 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000250825988 304146080 /nfs/dbraw/zinc/14/60/80/304146080.db2.gz XFXLYVUMVFHJHN-UPJWGTAASA-N -1 0 259.305 2.071 50 0 CEAARM CCOc1ccccc1/C=C\C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000213384909 370167930 /nfs/dbraw/zinc/16/79/30/370167930.db2.gz RAKRAZBUVVNNJO-MEJMFZKBSA-N -1 0 289.331 2.032 50 0 CEAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000195541888 370138193 /nfs/dbraw/zinc/13/81/93/370138193.db2.gz UKVIZCVOFHISQL-ZWNOBZJWSA-N -1 0 273.288 2.471 50 0 CEAARM CCc1cc(C)c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000195551921 370140666 /nfs/dbraw/zinc/14/06/66/370140666.db2.gz FGWOFMBZCKACNT-SNVBAGLBSA-N -1 0 279.336 2.476 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)/C=C\c1ccccn1)c1ccccc1 ZINC000221778492 370244452 /nfs/dbraw/zinc/24/44/52/370244452.db2.gz QRFXGJKOXXREAQ-FJVVXJACSA-N -1 0 296.326 2.427 50 0 CEAARM O=C([O-])C[C@H](NC(=O)/C=C\c1ccccn1)c1ccccc1 ZINC000221778554 370244686 /nfs/dbraw/zinc/24/46/86/370244686.db2.gz QRFXGJKOXXREAQ-KVPUOBJLSA-N -1 0 296.326 2.427 50 0 CEAARM O=C(/C=C\c1ccco1)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000222118060 370251136 /nfs/dbraw/zinc/25/11/36/370251136.db2.gz LKTIMTSURAFGOJ-CKXPSTMWSA-N -1 0 299.326 2.353 50 0 CEAARM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000236631033 370598943 /nfs/dbraw/zinc/59/89/43/370598943.db2.gz SEEOOOYAUCLLKZ-CUZBXDDWSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])CCCC(=O)Nc1ccc(Br)nc1 ZINC000236420493 370588621 /nfs/dbraw/zinc/58/86/21/370588621.db2.gz XBCLOSCSUZSNLE-UHFFFAOYSA-N -1 0 287.113 2.038 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250644033 371387848 /nfs/dbraw/zinc/38/78/48/371387848.db2.gz IIUHVUFWRMOCOO-LJISPDSOSA-N -1 0 287.359 2.235 50 0 CEAARM Cn1nncc1/C=C\c1ccc2cc(C(=O)[O-])ccc2n1 ZINC000361497648 371877966 /nfs/dbraw/zinc/87/79/66/371877966.db2.gz FIMPZBOWFLZCHE-WAYWQWQTSA-N -1 0 280.287 2.232 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC23CC3)c2ccccc21 ZINC000263184305 371930924 /nfs/dbraw/zinc/93/09/24/371930924.db2.gz KNNHTKAHCUXOSK-MNOVXSKESA-N -1 0 257.289 2.002 50 0 CEAARM COc1ccc([C@H](C)CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268947109 372297759 /nfs/dbraw/zinc/29/77/59/372297759.db2.gz NNMXLIAHBPJDRU-HONMWMINSA-N -1 0 291.347 2.026 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC000269183412 372369215 /nfs/dbraw/zinc/36/92/15/372369215.db2.gz MAYWXLXFFOBBRI-IUODEOHRSA-N -1 0 287.359 2.115 50 0 CEAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000237678954 189887119 /nfs/dbraw/zinc/88/71/19/189887119.db2.gz 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O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2nc3cccc(F)c3s2)C1 ZINC000662898075 414795979 /nfs/dbraw/zinc/79/59/79/414795979.db2.gz RIAMMAPISPWJKG-WQGWLQIFSA-N -1 0 296.323 2.071 50 0 CEAARM Cc1cc(C)cc([C@H](NC(=O)[C@H]2C[C@H]2C)C(=O)[O-])c1 ZINC000653666346 415068734 /nfs/dbraw/zinc/06/87/34/415068734.db2.gz XPNHETLLJSUUGJ-WXHSDQCUSA-N -1 0 261.321 2.201 50 0 CEAARM O=C([O-])CCC(=O)n1ncc2cc(Cl)ccc21 ZINC000045796063 175383899 /nfs/dbraw/zinc/38/38/99/175383899.db2.gz BSHZECORDYMTKB-UHFFFAOYSA-N -1 0 252.657 2.195 50 0 CEAARM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000045795885 175384057 /nfs/dbraw/zinc/38/40/57/175384057.db2.gz CPXTYAUPVNGBHA-SNVBAGLBSA-N -1 0 265.284 2.153 50 0 CEAARM Cc1ccccc1CCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000051967219 175529461 /nfs/dbraw/zinc/52/94/61/175529461.db2.gz PFNVNPOXTGVRRW-HNNXBMFYSA-N -1 0 293.388 2.004 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000062118179 175663588 /nfs/dbraw/zinc/66/35/88/175663588.db2.gz NMNIPDMDUYGPEO-JTQLQIEISA-N -1 0 293.750 2.305 50 0 CEAARM CCNC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)nc1 ZINC000067894656 175800538 /nfs/dbraw/zinc/80/05/38/175800538.db2.gz NTEJOOOWXIYLLU-UHFFFAOYSA-N -1 0 270.288 2.197 50 0 CEAARM CNc1cc(-c2ccc(CC(=O)[O-])cn2)c2cc[nH]c2n1 ZINC000072133509 176321571 /nfs/dbraw/zinc/32/15/71/176321571.db2.gz OUPKDRYCPDHVDN-UHFFFAOYSA-N -1 0 282.303 2.294 50 0 CEAARM O=C([O-])/C=C/c1ccc(NC(=O)c2cscn2)cc1 ZINC000062353921 262412214 /nfs/dbraw/zinc/41/22/14/262412214.db2.gz WHCSYNKSMOKUEW-ZZXKWVIFSA-N -1 0 274.301 2.493 50 0 CEAARM CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1 ZINC000004362885 278184541 /nfs/dbraw/zinc/18/45/41/278184541.db2.gz LDQYJSYWTYAMBA-UHFFFAOYSA-N -1 0 258.071 2.106 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@H](n2ccc(C(=O)[O-])n2)C1 ZINC000097139090 278394785 /nfs/dbraw/zinc/39/47/85/278394785.db2.gz VWQWGHVXURBZQG-JTQLQIEISA-N -1 0 295.339 2.153 50 0 CEAARM CC1(C)[C@H](C(=O)N2CCCC2)CC[C@]1(C)C(=O)[O-] ZINC000004717953 281464819 /nfs/dbraw/zinc/46/48/19/281464819.db2.gz OQFLIXWBGNDUON-IINYFYTJSA-N -1 0 253.342 2.136 50 0 CEAARM CC1(C)[C@H](C(=O)Nc2cc(Cl)ccn2)[C@@H]1C(=O)[O-] ZINC000071285369 281465508 /nfs/dbraw/zinc/46/55/08/281465508.db2.gz PQWHQGRKZNOMRY-DTWKUNHWSA-N -1 0 268.700 2.030 50 0 CEAARM COc1ccc(N2C(=O)C3(CCCCC3)[C@@H]2C(=O)[O-])cc1 ZINC000169676654 295155357 /nfs/dbraw/zinc/15/53/57/295155357.db2.gz MMFJQMZLFOYTPF-ZDUSSCGKSA-N -1 0 289.331 2.446 50 0 CEAARM COc1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000100407092 295156935 /nfs/dbraw/zinc/15/69/35/295156935.db2.gz PVFOLBVIPYACQR-UHFFFAOYSA-N -1 0 258.199 2.350 50 0 CEAARM COc1ccc2c(c1)CC[C@@]1(C)C2=C(C(=O)[O-])C[C@H]1O ZINC000071772690 295260209 /nfs/dbraw/zinc/26/02/09/295260209.db2.gz RSTJGRJBZMPYSF-CZUORRHYSA-N -1 0 274.316 2.251 50 0 CEAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000036893844 295556335 /nfs/dbraw/zinc/55/63/35/295556335.db2.gz VITRKRBYCVXXQP-UHFFFAOYSA-N -1 0 269.105 2.095 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000239377935 297355265 /nfs/dbraw/zinc/35/52/65/297355265.db2.gz OENIZBQWTODIDU-RNJOBUHISA-N -1 0 265.353 2.158 50 0 CEAARM Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000262602302 302152629 /nfs/dbraw/zinc/15/26/29/302152629.db2.gz KCGONQWXSZVWFE-BNOWGMLFSA-N -1 0 273.332 2.032 50 0 CEAARM Cc1cccnc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005936215 302241164 /nfs/dbraw/zinc/24/11/64/302241164.db2.gz NLXLDLZKOHEWNG-QWRGUYRKSA-N -1 0 262.309 2.220 50 0 CEAARM O=C([O-])[C@H](CC1CC1)NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000569260008 313990207 /nfs/dbraw/zinc/99/02/07/313990207.db2.gz MQOMYPBNRNVLJP-KGLIPLIRSA-N -1 0 291.322 2.225 50 0 CEAARM O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000004312749 326811032 /nfs/dbraw/zinc/81/10/32/326811032.db2.gz HNYMBFPJOYKJBH-UHFFFAOYSA-N -1 0 297.376 2.095 50 0 CEAARM Cc1ccccc1C1(C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000178261480 525075851 /nfs/dbraw/zinc/07/58/51/525075851.db2.gz UYWRBHVVSBRSQJ-INIZCTEOSA-N -1 0 287.359 2.350 50 0 CEAARM O=C([O-])C[C@@H]1CCCC[C@@H]1NC(=O)c1ccco1 ZINC000309892999 567902504 /nfs/dbraw/zinc/90/25/04/567902504.db2.gz FIMYHMZUXQSLEZ-UWVGGRQHSA-N -1 0 251.282 2.043 50 0 CEAARM O=C([O-])c1ccc(CC(=O)N2CC3CC2(C(F)F)C3)cc1 ZINC000952886845 815081877 /nfs/dbraw/zinc/08/18/77/815081877.db2.gz RFOOYHKMFHNNJR-UHFFFAOYSA-N -1 0 295.285 2.183 50 0 CEAARM CC(C)(C)OC(=O)N1CCC([C@@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000708190052 809923191 /nfs/dbraw/zinc/92/31/91/809923191.db2.gz NFBUIHVVVXOVQE-RYUDHWBXSA-N -1 0 299.367 2.266 50 0 CEAARM Cc1cccc2c1N(C(=O)c1c(C(=O)[O-])cnn1C)CCC2 ZINC000020615096 810783853 /nfs/dbraw/zinc/78/38/53/810783853.db2.gz ZHMATBQKVVLVMJ-UHFFFAOYSA-N -1 0 299.330 2.020 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1F ZINC000095944030 185036925 /nfs/dbraw/zinc/03/69/25/185036925.db2.gz ZFXPFDBNULSOKW-UHFFFAOYSA-N -1 0 299.327 2.441 50 0 CEAARM Cc1ccc(CCC(=O)NC(C)(C)C(=O)[O-])c(C)c1 ZINC000095956915 185042279 /nfs/dbraw/zinc/04/22/79/185042279.db2.gz MZQIERXJFRVNIL-UHFFFAOYSA-N -1 0 263.337 2.215 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000095961775 185044107 /nfs/dbraw/zinc/04/41/07/185044107.db2.gz USXUNMJLZZJKMT-QWRGUYRKSA-N -1 0 273.288 2.416 50 0 CEAARM Cc1ccc(CCC(=O)N(C)C[C@H](C)C(=O)[O-])c(C)c1 ZINC000095970486 185048615 /nfs/dbraw/zinc/04/86/15/185048615.db2.gz ZSWVJCAYVJZFSE-ZDUSSCGKSA-N -1 0 277.364 2.415 50 0 CEAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccn1C)c1ccccc1 ZINC000095970295 185048729 /nfs/dbraw/zinc/04/87/29/185048729.db2.gz VSVWPNHIYLTDOV-BXUZGUMPSA-N -1 0 286.331 2.217 50 0 CEAARM COc1ccccc1/C(C)=C/C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000095970495 185048752 /nfs/dbraw/zinc/04/87/52/185048752.db2.gz FDCZKZNZFPHZBB-ZKQHCESOSA-N -1 0 291.347 2.278 50 0 CEAARM Cc1cc(CC(=O)Nc2cc(C(=O)[O-])ccc2F)no1 ZINC000095989562 185057824 /nfs/dbraw/zinc/05/78/24/185057824.db2.gz ZGBNMADNZHEALU-UHFFFAOYSA-N -1 0 278.239 2.002 50 0 CEAARM Cc1nc(Cc2c(C)[nH]c3ccccc32)n(CC(=O)[O-])n1 ZINC000096139719 185105582 /nfs/dbraw/zinc/10/55/82/185105582.db2.gz NFKCWGWSJNENPO-UHFFFAOYSA-N -1 0 284.319 2.052 50 0 CEAARM Cc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588678 361907165 /nfs/dbraw/zinc/90/71/65/361907165.db2.gz BMKLKODMBXRWAA-RMKNXTFCSA-N -1 0 259.305 2.084 50 0 CEAARM Cc1ncsc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716476 361924378 /nfs/dbraw/zinc/92/43/78/361924378.db2.gz SRVDKRLYCKXALJ-UHFFFAOYSA-N -1 0 276.317 2.080 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000037827644 361952666 /nfs/dbraw/zinc/95/26/66/361952666.db2.gz MEJXQJUXNZRRIK-QWHCGFSZSA-N -1 0 289.287 2.122 50 0 CEAARM O=S(=O)([N-]c1ccccc1CO)c1cccnc1Cl ZINC000037981179 361971158 /nfs/dbraw/zinc/97/11/58/361971158.db2.gz UOEVZBMMMWLXTA-UHFFFAOYSA-N -1 0 298.751 2.028 50 0 CEAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CC1 ZINC000097035501 185166420 /nfs/dbraw/zinc/16/64/20/185166420.db2.gz DIRMJBGAIQBKLQ-WDEREUQCSA-N -1 0 279.361 2.236 50 0 CEAARM O=C([O-])CCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000041537997 362040096 /nfs/dbraw/zinc/04/00/96/362040096.db2.gz NCDBQLIHGWRNBV-UHFFFAOYSA-N -1 0 277.305 2.008 50 0 CEAARM COc1cc(C(F)(F)F)cc(SCC(=O)[O-])n1 ZINC000043179103 362138759 /nfs/dbraw/zinc/13/87/59/362138759.db2.gz OJSYLYGZQXEIFS-UHFFFAOYSA-N -1 0 267.228 2.286 50 0 CEAARM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1cccc(N)c1 ZINC000144078690 539308089 /nfs/dbraw/zinc/30/80/89/539308089.db2.gz WEPKRDYCQFGGRW-CQSZACIVSA-N -1 0 280.324 2.093 50 0 CEAARM Cc1ccc(N(C)C(=O)c2ncccc2[O-])cc1N(C)C ZINC000097102398 344243049 /nfs/dbraw/zinc/24/30/49/344243049.db2.gz XOZRGIOLRFEIHL-UHFFFAOYSA-N -1 0 285.347 2.438 50 0 CEAARM CCCCC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000195551260 344521580 /nfs/dbraw/zinc/52/15/80/344521580.db2.gz VPLSBHKXCDYPAB-GFCCVEGCSA-N -1 0 253.273 2.258 50 0 CEAARM O=S(=O)([N-]c1nccc2ccncc21)c1cccs1 ZINC000195579784 344523847 /nfs/dbraw/zinc/52/38/47/344523847.db2.gz CTDOOXWQAUIQMK-UHFFFAOYSA-N -1 0 291.357 2.492 50 0 CEAARM O=C([O-])Cc1ccc(C(F)(F)F)nc1Br ZINC000238689719 344607800 /nfs/dbraw/zinc/60/78/00/344607800.db2.gz ASNWFLLGCQNHTI-UHFFFAOYSA-N -1 0 284.031 2.490 50 0 CEAARM [O-]c1c(I)nccc1C(F)(F)F ZINC000238725966 344608358 /nfs/dbraw/zinc/60/83/58/344608358.db2.gz XOZRMPKZMUMIQQ-UHFFFAOYSA-N -1 0 288.994 2.411 50 0 CEAARM COc1cccc(C(C)(C)CC(=O)[O-])c1NC(C)=O ZINC000258454065 344648448 /nfs/dbraw/zinc/64/84/48/344648448.db2.gz OITGBFFRCLKHRB-UHFFFAOYSA-N -1 0 265.309 2.406 50 0 CEAARM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000136525692 295724687 /nfs/dbraw/zinc/72/46/87/295724687.db2.gz CAQCOIYELXKONM-MFKMUULPSA-N -1 0 279.311 2.395 50 0 CEAARM Fc1ccc2[nH]cnc2c1CN=c1nc(C2CC2)[n-]s1 ZINC000585132699 345005591 /nfs/dbraw/zinc/00/55/91/345005591.db2.gz NEQOYIPCIOBMGC-UHFFFAOYSA-N -1 0 289.339 2.465 50 0 CEAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000054051119 362505185 /nfs/dbraw/zinc/50/51/85/362505185.db2.gz QTOXRSSWXWRKIE-SSDOTTSWSA-N -1 0 275.226 2.251 50 0 CEAARM CCOC(=O)c1c(=O)[nH]c2scc(C3CC3)c2c1[O-] ZINC000057315560 362577923 /nfs/dbraw/zinc/57/79/23/362577923.db2.gz UBMDIIBPKKQAKD-UHFFFAOYSA-N -1 0 279.317 2.349 50 0 CEAARM O=C([O-])C[C@@H](CC(=O)NCc1cccnc1)c1ccccc1 ZINC000057628001 362589221 /nfs/dbraw/zinc/58/92/21/362589221.db2.gz VKJMRONOIORWQF-OAHLLOKOSA-N -1 0 298.342 2.346 50 0 CEAARM CCc1cc2c(ncnc2N2CCC[C@H]2C(=O)[O-])s1 ZINC000057651421 362590988 /nfs/dbraw/zinc/59/09/88/362590988.db2.gz RUSQAIJKVNROIK-JTQLQIEISA-N -1 0 277.349 2.307 50 0 CEAARM C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000147801759 232215590 /nfs/dbraw/zinc/21/55/90/232215590.db2.gz UOZVNJNCGFRNKG-PPKCKEKNSA-N -1 0 267.712 2.238 50 0 CEAARM Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)[O-] ZINC000059880766 362653732 /nfs/dbraw/zinc/65/37/32/362653732.db2.gz JKTBTRMZDGNWEB-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM O=C([O-])C1(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000203667038 539495346 /nfs/dbraw/zinc/49/53/46/539495346.db2.gz DNDCIBRXBBPFKI-UHFFFAOYSA-N -1 0 274.103 2.340 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)C1 ZINC000085388490 179047380 /nfs/dbraw/zinc/04/73/80/179047380.db2.gz SXCAKNXGVNRUFR-SFYZADRCSA-N -1 0 283.711 2.485 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCCc2cccs2)C1 ZINC000062117432 362708028 /nfs/dbraw/zinc/70/80/28/362708028.db2.gz NDBRPXSGUOUUFA-SNVBAGLBSA-N -1 0 267.350 2.004 50 0 CEAARM CSCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000062118353 362709240 /nfs/dbraw/zinc/70/92/40/362709240.db2.gz VBLCGKSPGMEHEH-LBPRGKRZSA-N -1 0 279.361 2.096 50 0 CEAARM CCCCO[C@@H](C)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000065546545 362834634 /nfs/dbraw/zinc/83/46/34/362834634.db2.gz DTGGWBCFPHWABU-NSHDSACASA-N -1 0 271.357 2.095 50 0 CEAARM COc1ccc(-n2ncc3cccnc32)c(C(=O)[O-])c1 ZINC000067676265 362918288 /nfs/dbraw/zinc/91/82/88/362918288.db2.gz KFLUZEZDJDKEBY-UHFFFAOYSA-N -1 0 269.260 2.127 50 0 CEAARM CCc1ccc([C@@H](C)NC(=O)c2cc(=O)[n-]o2)cc1 ZINC000089284764 179764980 /nfs/dbraw/zinc/76/49/80/179764980.db2.gz 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/nfs/dbraw/zinc/80/68/76/539806876.db2.gz FBJSBCYKUSJTNF-SNVBAGLBSA-N -1 0 296.754 2.452 50 0 CEAARM C[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000111645045 186436097 /nfs/dbraw/zinc/43/60/97/186436097.db2.gz JITLBVNSTJYWHC-SNVBAGLBSA-N -1 0 255.358 2.382 50 0 CEAARM O=S(=O)([N-]c1ccc(F)cn1)c1ccc(Cl)nc1 ZINC000069675754 362990384 /nfs/dbraw/zinc/99/03/84/362990384.db2.gz MMOVPDFACBEZPX-UHFFFAOYSA-N -1 0 287.703 2.070 50 0 CEAARM O=C([O-])CCCCNC(=O)c1ccc2ncccc2c1 ZINC000070199867 363054605 /nfs/dbraw/zinc/05/46/05/363054605.db2.gz BMHPLKHDCOMIIJ-UHFFFAOYSA-N -1 0 272.304 2.220 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)c2cnn(CC3CC3)c2)c1 ZINC000630144628 351638411 /nfs/dbraw/zinc/63/84/11/351638411.db2.gz OOHKBNFKDYSPIY-UHFFFAOYSA-N -1 0 299.330 2.173 50 0 CEAARM CCC[C@@H](NC(=O)c1coc2ccccc12)C(=O)[O-] ZINC000070390563 363077849 /nfs/dbraw/zinc/07/78/49/363077849.db2.gz MZSRNRTXVUKYFP-LLVKDONJSA-N -1 0 261.277 2.416 50 0 CEAARM Cc1ccc2cc(C(=O)Nc3ccn(CC(=O)[O-])n3)[nH]c2c1 ZINC000122755174 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285.702 2.416 50 0 CEAARM CCNC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013080440 361417814 /nfs/dbraw/zinc/41/78/14/361417814.db2.gz ZMLQCJAQNZQFLS-UHFFFAOYSA-N -1 0 273.288 2.053 50 0 CEAARM Cc1ccc(SCc2cc(=O)n3nc[n-]c3n2)cc1 ZINC000017822825 361511361 /nfs/dbraw/zinc/51/13/61/361511361.db2.gz GNDCXJKLYCAXBZ-UHFFFAOYSA-N -1 0 272.333 2.431 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000019429882 361534376 /nfs/dbraw/zinc/53/43/76/361534376.db2.gz DURGMDPFJYWHDW-LLVKDONJSA-N -1 0 273.288 2.370 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000022176143 361587820 /nfs/dbraw/zinc/58/78/20/361587820.db2.gz IBPZYQWIASFOQQ-VXGBXAGGSA-N -1 0 285.299 2.149 50 0 CEAARM Cc1[n-]n(C)c(=O)c1CCOC(=O)Nc1ccccc1 ZINC000026330457 361638415 /nfs/dbraw/zinc/63/84/15/361638415.db2.gz ZRUBOQVXNSLUJR-LBPRGKRZSA-N -1 0 275.308 2.089 50 0 CEAARM CCCn1cc(C(=O)[O-])c(=O)c2cc(OC)ccc21 ZINC000026507995 361641147 /nfs/dbraw/zinc/64/11/47/361641147.db2.gz IMPBCITYUOSPSF-UHFFFAOYSA-N -1 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CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000005198030 170075721 /nfs/dbraw/zinc/07/57/21/170075721.db2.gz PUAYAFXUERYCHH-QWHCGFSZSA-N -1 0 277.295 2.109 50 0 CEAARM Cc1nc2c(ncnc2SCCCCC(=O)[O-])[nH]1 ZINC000005349713 170088653 /nfs/dbraw/zinc/08/86/53/170088653.db2.gz PSNCVLQTPRWAEU-UHFFFAOYSA-N -1 0 266.326 2.008 50 0 CEAARM CCc1cc2c([n-]c(=S)n(Cc3cc[nH]n3)c2=O)s1 ZINC000006381168 170196966 /nfs/dbraw/zinc/19/69/66/170196966.db2.gz DZSQVOIUEBPEHB-UHFFFAOYSA-N -1 0 292.389 2.454 50 0 CEAARM O=C(Nc1ccccc1)[C@H](Cc1cccs1)c1nnn[n-]1 ZINC000006557670 170213292 /nfs/dbraw/zinc/21/32/92/170213292.db2.gz JDTAONBRPDCJQF-GFCCVEGCSA-N -1 0 299.359 2.226 50 0 CEAARM Cc1nc2[nH]cnc2c(SCCCCC(=O)[O-])n1 ZINC000006694453 170226735 /nfs/dbraw/zinc/22/67/35/170226735.db2.gz GBAGPJYKAUYTMU-UHFFFAOYSA-N -1 0 266.326 2.008 50 0 CEAARM C[C@@H](C(=O)[O-])n1c2ccccc2n(Cc2ccccc2)c1=O ZINC000008391936 170334474 /nfs/dbraw/zinc/33/44/74/170334474.db2.gz IVXAWLABKVFSKL-LBPRGKRZSA-N -1 0 296.326 2.497 50 0 CEAARM CCC(=O)C[C@@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000008743558 170353444 /nfs/dbraw/zinc/35/34/44/170353444.db2.gz UWWXMMISIIBHBQ-NSHDSACASA-N -1 0 288.303 2.166 50 0 CEAARM CC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[n-]1 ZINC000008763155 170354966 /nfs/dbraw/zinc/35/49/66/170354966.db2.gz VFXNJSLVXKMUML-UHFFFAOYSA-N -1 0 259.265 2.241 50 0 CEAARM CC(C)N1C(=O)S[C@@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000009423106 170376393 /nfs/dbraw/zinc/37/63/93/170376393.db2.gz UNMMRFIIEFWASV-SNVBAGLBSA-N -1 0 294.332 2.227 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000013320263 170543325 /nfs/dbraw/zinc/54/33/25/170543325.db2.gz NRNNVMFUQPXQHM-ZIAGYGMSSA-N -1 0 291.322 2.151 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000015970385 170684135 /nfs/dbraw/zinc/68/41/35/170684135.db2.gz QGJAFAIXCRURHK-BXKDBHETSA-N -1 0 280.324 2.316 50 0 CEAARM Cc1nc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000020737120 171271164 /nfs/dbraw/zinc/27/11/64/171271164.db2.gz PPJFJIIXBSGTPF-LLVKDONJSA-N -1 0 290.344 2.316 50 0 CEAARM COCCCn1c(=O)c2sccc2[n-]c1=S ZINC000021948950 171338989 /nfs/dbraw/zinc/33/89/89/171338989.db2.gz NQTICQIRQOODPP-UHFFFAOYSA-N -1 0 256.352 2.157 50 0 CEAARM CCc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022158840 171363405 /nfs/dbraw/zinc/36/34/05/171363405.db2.gz QBTNFJXSRUYJHD-UHFFFAOYSA-N -1 0 294.332 2.076 50 0 CEAARM CSCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000037410402 173187051 /nfs/dbraw/zinc/18/70/51/173187051.db2.gz QFIBUESAYIQDQN-GFCCVEGCSA-N -1 0 279.361 2.239 50 0 CEAARM CCn1nc(C(C)C)cc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419366 173197032 /nfs/dbraw/zinc/19/70/32/173197032.db2.gz KOMQZRAARWNZCJ-UHFFFAOYSA-N -1 0 293.367 2.154 50 0 CEAARM COc1ccc([C@H](O)C(=O)[O-])cc1OCc1ccccc1 ZINC000040166191 174197466 /nfs/dbraw/zinc/19/74/66/174197466.db2.gz ZRUVFIJDPCIMFS-HNNXBMFYSA-N -1 0 288.299 2.392 50 0 CEAARM Cc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])n1 ZINC000401274898 414752627 /nfs/dbraw/zinc/75/26/27/414752627.db2.gz PAJANIUVTSJHJP-NSHDSACASA-N -1 0 264.325 2.009 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000402861162 414761419 /nfs/dbraw/zinc/76/14/19/414761419.db2.gz RGSSFMPLIVASTN-QKPAOTATSA-N -1 0 299.370 2.401 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000203657487 414841085 /nfs/dbraw/zinc/84/10/85/414841085.db2.gz GAGFDAAPOANZLD-UHFFFAOYSA-N -1 0 288.130 2.269 50 0 CEAARM Cn1cc(Cl)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043583824 175070433 /nfs/dbraw/zinc/07/04/33/175070433.db2.gz ZHUJRZLTWWIRAM-SNVBAGLBSA-N -1 0 298.770 2.396 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(O)c1 ZINC000043583747 175070438 /nfs/dbraw/zinc/07/04/38/175070438.db2.gz ZMICSROBPHWAFB-GFCCVEGCSA-N -1 0 291.347 2.418 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000062117560 175663655 /nfs/dbraw/zinc/66/36/55/175663655.db2.gz UVQQFVUKHXAXEZ-ZXCPCRMDSA-N -1 0 279.723 2.286 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000062118902 175663957 /nfs/dbraw/zinc/66/39/57/175663957.db2.gz MNQVJMRAMYCZND-MVIFTORASA-N -1 0 279.723 2.286 50 0 CEAARM O=C([O-])c1nnn(Cc2ccccc2F)c1-c1ccccn1 ZINC000065288276 175707619 /nfs/dbraw/zinc/70/76/19/175707619.db2.gz SRIMTPBHPRDLRL-UHFFFAOYSA-N -1 0 298.277 2.226 50 0 CEAARM CC[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000263570480 287312487 /nfs/dbraw/zinc/31/24/87/287312487.db2.gz IGTHIYGMMHKQOS-RDBSUJKOSA-N -1 0 273.332 2.071 50 0 CEAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)nn1C(C)C ZINC000071282047 176108866 /nfs/dbraw/zinc/10/88/66/176108866.db2.gz UBURAZSNRVVFAM-WDEREUQCSA-N -1 0 279.340 2.068 50 0 CEAARM CCC(=O)Nc1cccc([C@H]2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000072193701 176337233 /nfs/dbraw/zinc/33/72/33/176337233.db2.gz ZTZFSUWOLAYZPS-CMPLNLGQSA-N -1 0 275.304 2.182 50 0 CEAARM CC(C)(O)CCC[C@@](C)(O)c1ccc(C(=O)[O-])cc1O ZINC000013482271 278639634 /nfs/dbraw/zinc/63/96/34/278639634.db2.gz YCUWMGPYKGLQQF-OAHLLOKOSA-N -1 0 282.336 2.239 50 0 biogenic,in-vitro CEAARM CC(C)[C@@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000006810770 279829122 /nfs/dbraw/zinc/82/91/22/279829122.db2.gz XKHIAOOVTINZQE-MRVPVSSYSA-N -1 0 256.327 2.219 50 0 CEAARM Cc1ccc(/C=C\C(=O)N(CC(=O)[O-])CC(C)C)o1 ZINC000219570507 280211286 /nfs/dbraw/zinc/21/12/86/280211286.db2.gz HGACDNHWLGJRMU-SREVYHEPSA-N -1 0 265.309 2.170 50 0 CEAARM CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000139846881 280386628 /nfs/dbraw/zinc/38/66/28/280386628.db2.gz LETSFCCALJTPBC-ZJUUUORDSA-N -1 0 257.330 2.353 50 0 CEAARM O=c1c2ccccc2[n-]c(=S)n1CCC1=CCOCC1 ZINC000124114302 280391937 /nfs/dbraw/zinc/39/19/37/280391937.db2.gz HVOBAOIJQGONLP-UHFFFAOYSA-N -1 0 288.372 2.422 50 0 CEAARM CC(C)c1ccc(OCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033443469 280610122 /nfs/dbraw/zinc/61/01/22/280610122.db2.gz YXHZAQKMQXSHQR-AWEZNQCLSA-N -1 0 291.347 2.264 50 0 CEAARM CC1(C)OC[C@H](c2oc3c(c2[O-])OC(C)(C)O3)O1 ZINC000169725984 281417534 /nfs/dbraw/zinc/41/75/34/281417534.db2.gz PPSLWKFLQIQCPS-ZCFIWIBFSA-N -1 0 256.254 2.317 50 0 CEAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000002455239 297362128 /nfs/dbraw/zinc/36/21/28/297362128.db2.gz RDLUCWBSZMWQDA-PHIMTYICSA-N -1 0 297.376 2.051 50 0 CEAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000003186070 297362329 /nfs/dbraw/zinc/36/23/29/297362329.db2.gz NQDJZPKCSPMOQQ-PHIMTYICSA-N -1 0 297.376 2.051 50 0 CEAARM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529700724 297984943 /nfs/dbraw/zinc/98/49/43/297984943.db2.gz JPHLWDQBCCKUHD-QEYWKRMJSA-N -1 0 295.408 2.010 50 0 CEAARM C[C@H]1CCc2c(C(=O)N3CC[C@@H](C(=O)[O-])C3)csc2C1 ZINC000062118452 300086437 /nfs/dbraw/zinc/08/64/37/300086437.db2.gz NANPIZKNYHPVFK-VHSXEESVSA-N -1 0 293.388 2.420 50 0 CEAARM C[C@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000000063245 300856183 /nfs/dbraw/zinc/85/61/83/300856183.db2.gz LNCSDWDMZZWUBD-HVCMNRKLSA-N -1 0 297.310 2.086 50 0 CEAARM Cc1ccnc(N2CC[C@H](c3ccccc3C(=O)[O-])C2)n1 ZINC000072157192 302274296 /nfs/dbraw/zinc/27/42/96/302274296.db2.gz VPAVWEXNEUSCRD-LBPRGKRZSA-N -1 0 283.331 2.477 50 0 CEAARM Cn1cccc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000225443007 302963990 /nfs/dbraw/zinc/96/39/90/302963990.db2.gz CJOMXQFCNBEKQE-VIFPVBQESA-N -1 0 278.333 2.032 50 0 CEAARM Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC000062350500 303493111 /nfs/dbraw/zinc/49/31/11/303493111.db2.gz LXCCUZBBWURDLS-UHFFFAOYSA-N -1 0 250.479 2.383 50 0 CEAARM O=c1cnc(-c2ccc(C(F)(F)F)cc2)cn1[O-] ZINC000006926591 304819141 /nfs/dbraw/zinc/81/91/41/304819141.db2.gz NMGDAQDEPLLVJX-UHFFFAOYSA-N -1 0 256.183 2.166 50 0 CEAARM C[C@@H](CNC(=O)c1coc2ccccc12)CC(=O)[O-] ZINC000097016297 534050956 /nfs/dbraw/zinc/05/09/56/534050956.db2.gz VMTJHOPCBBUYPX-SECBINFHSA-N -1 0 261.277 2.273 50 0 CEAARM O=C([O-])CCCN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000116391593 534488102 /nfs/dbraw/zinc/48/81/02/534488102.db2.gz HNVWGLAAAJDLOR-ZDUSSCGKSA-N -1 0 285.290 2.203 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000178261676 526278403 /nfs/dbraw/zinc/27/84/03/526278403.db2.gz XNAICVCXLATPQG-URWSZGRFSA-N -1 0 296.326 2.181 50 0 CEAARM O=C([O-])C1(C(=O)NCCc2c(F)cccc2Cl)CC1 ZINC000154985963 527552581 /nfs/dbraw/zinc/55/25/81/527552581.db2.gz PIXDQORXSAYMIA-UHFFFAOYSA-N -1 0 285.702 2.003 50 0 CEAARM CCC[C@@H](NC(=O)c1ccc(Cl)cc1OC)C(=O)[O-] ZINC000043564843 528991484 /nfs/dbraw/zinc/99/14/84/528991484.db2.gz JSTNONODEVLYAB-SNVBAGLBSA-N -1 0 285.727 2.332 50 0 CEAARM CC(C)[C@H](NC(=O)CCc1cccc(F)c1F)C(=O)[O-] ZINC000096479618 529082727 /nfs/dbraw/zinc/08/27/27/529082727.db2.gz XOTVSVVYMAGCOE-ZDUSSCGKSA-N -1 0 285.290 2.123 50 0 CEAARM CN(C(=O)C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000585079843 601679275 /nfs/dbraw/zinc/67/92/75/601679275.db2.gz YWSWLFOOIWJNFG-UKRRQHHQSA-N -1 0 291.347 2.230 50 0 CEAARM Cc1ccccc1CC(=O)N1CC2(CCCC2)[C@@H]1C(=O)[O-] ZINC000888099284 628869006 /nfs/dbraw/zinc/86/90/06/628869006.db2.gz YQLMDIKODXKWIQ-HNNXBMFYSA-N -1 0 287.359 2.393 50 0 CEAARM CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nnn[n-]1 ZINC000584906898 813604846 /nfs/dbraw/zinc/60/48/46/813604846.db2.gz HHQUFAAOWRGRJI-VIFPVBQESA-N -1 0 299.256 2.100 50 0 CEAARM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC=C(Cl)C1 ZINC000585120044 813686507 /nfs/dbraw/zinc/68/65/07/813686507.db2.gz JXLRMFDQWGXXLX-UHFFFAOYSA-N -1 0 278.743 2.136 50 0 CEAARM C[C@H](c1ccco1)N(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000097017689 230386346 /nfs/dbraw/zinc/38/63/46/230386346.db2.gz JBLAPUATXBBZCT-IEBDPFPHSA-N -1 0 263.293 2.052 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000095961784 185044432 /nfs/dbraw/zinc/04/44/32/185044432.db2.gz ZQDJTDIYZOLGPC-ZYHUDNBSSA-N -1 0 281.739 2.252 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1cccc(F)c1 ZINC000095969636 185047750 /nfs/dbraw/zinc/04/77/50/185047750.db2.gz VEOLYVKDORMVIC-CYBMUJFWSA-N -1 0 279.311 2.224 50 0 CEAARM CCC[C@H](CC(=O)[O-])NC(=O)Cc1cccc(F)c1 ZINC000095976334 185051030 /nfs/dbraw/zinc/05/10/30/185051030.db2.gz MRIIPZPQEBANNV-GFCCVEGCSA-N -1 0 267.300 2.128 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000095989430 185057921 /nfs/dbraw/zinc/05/79/21/185057921.db2.gz VPAQKYBRXFYCAR-VHSXEESVSA-N -1 0 267.350 2.093 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)/C=C/c2ccncc2)c1 ZINC000095991945 185058828 /nfs/dbraw/zinc/05/88/28/185058828.db2.gz FJEYBNHWEDWTOD-SNAWJCMRSA-N -1 0 296.326 2.152 50 0 CEAARM CC(=O)c1cc(Br)ccc1OCC(=O)[O-] ZINC000036127031 361829506 /nfs/dbraw/zinc/82/95/06/361829506.db2.gz ZPKLKLLENLTZEX-UHFFFAOYSA-N -1 0 273.082 2.115 50 0 in-vivo CEAARM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000097035563 185166560 /nfs/dbraw/zinc/16/65/60/185166560.db2.gz WQBNUZGGFRNWRK-QWRGUYRKSA-N -1 0 281.377 2.483 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccccc1F ZINC000096480240 529492866 /nfs/dbraw/zinc/49/28/66/529492866.db2.gz JXSHADGTUNAULX-AWEZNQCLSA-N -1 0 267.300 2.128 50 0 CEAARM O=C([O-])C[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2 ZINC000042144368 362062034 /nfs/dbraw/zinc/06/20/34/362062034.db2.gz FIHTVUVTPSBQKD-SNVBAGLBSA-N -1 0 279.361 2.316 50 0 CEAARM COc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)on1 ZINC000127193337 187288112 /nfs/dbraw/zinc/28/81/12/187288112.db2.gz VKCYROVKSNILJY-UHFFFAOYSA-N -1 0 291.288 2.365 50 0 CEAARM C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000095456302 344236844 /nfs/dbraw/zinc/23/68/44/344236844.db2.gz BLORWIQDXOZGKD-APPZFPTMSA-N -1 0 287.718 2.482 50 0 CEAARM Cc1cccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000049474956 362365725 /nfs/dbraw/zinc/36/57/25/362365725.db2.gz JSXIHYVWQLFCHO-CYBMUJFWSA-N -1 0 261.321 2.003 50 0 CEAARM O=C(Nc1[n-]c(=O)ncc1F)c1cccc2ccccc21 ZINC000170605915 344486275 /nfs/dbraw/zinc/48/62/75/344486275.db2.gz WDGBSBDNFGIEIZ-UHFFFAOYSA-N -1 0 283.262 2.315 50 0 CEAARM CC/C=C(\C)C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000251361528 344636075 /nfs/dbraw/zinc/63/60/75/344636075.db2.gz SIXIEHUVXACYFM-SXSOHVCJSA-N -1 0 253.342 2.492 50 0 CEAARM CCC(=O)[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000252497485 344639675 /nfs/dbraw/zinc/63/96/75/344639675.db2.gz QJDARSSUTALWQC-UHFFFAOYSA-N -1 0 269.366 2.100 50 0 CEAARM CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC000584879967 344995396 /nfs/dbraw/zinc/99/53/96/344995396.db2.gz QLINLMKCOUUAED-LLVKDONJSA-N -1 0 279.292 2.143 50 0 CEAARM Cc1cc[nH]c1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000584901581 345003870 /nfs/dbraw/zinc/00/38/70/345003870.db2.gz KMBDFAQMCMZBCC-UHFFFAOYSA-N -1 0 264.325 2.231 50 0 CEAARM CCCC[C@@H](NC(=O)c1ncoc1C(F)(F)F)C(=O)[O-] ZINC000585134648 345006289 /nfs/dbraw/zinc/00/62/89/345006289.db2.gz DKEIZFAKGCKXQV-ZCFIWIBFSA-N -1 0 294.229 2.067 50 0 CEAARM O=C(C=C1CCC1)NC1(C(=O)[O-])CCCCCC1 ZINC000585134947 345006405 /nfs/dbraw/zinc/00/64/05/345006405.db2.gz QAWCIBYMDRJANH-UHFFFAOYSA-N -1 0 251.326 2.391 50 0 CEAARM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)sc1C ZINC000062118356 362708828 /nfs/dbraw/zinc/70/88/28/362708828.db2.gz ULLJKUYUAPJFFZ-SNVBAGLBSA-N -1 0 267.350 2.166 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2F)c1-c1cccnc1 ZINC000062267946 362716784 /nfs/dbraw/zinc/71/67/84/362716784.db2.gz RHWJTNJRIMDUHN-UHFFFAOYSA-N -1 0 284.250 2.167 50 0 CEAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c(C)noc2C)C1 ZINC000062870604 362728031 /nfs/dbraw/zinc/72/80/31/362728031.db2.gz ZCKNKWGHRRMYKP-OAHLLOKOSA-N -1 0 294.351 2.399 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000062913746 362733699 /nfs/dbraw/zinc/73/36/99/362733699.db2.gz GDKFBXQXZZJJJI-LLYBFZRZSA-N -1 0 277.295 2.162 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000062912914 362733780 /nfs/dbraw/zinc/73/37/80/362733780.db2.gz GTTZGCNPLDZTNX-MVGZEHJDSA-N -1 0 259.305 2.023 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2nccc3ccccc32)C1 ZINC000062914185 362734193 /nfs/dbraw/zinc/73/41/93/362734193.db2.gz GDKMFKUODYAGPE-MRXNPFEDSA-N -1 0 284.315 2.172 50 0 CEAARM Cc1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1Cl ZINC000063021236 362744710 /nfs/dbraw/zinc/74/47/10/362744710.db2.gz VMFQLWWWYXNRJR-UHFFFAOYSA-N 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RCQSQNXPLSKBDT-SECBINFHSA-N -1 0 287.319 2.234 50 0 CEAARM O=C([O-])[C@]1(NC(=O)c2coc3ccccc23)CCSC1 ZINC000070391014 363077835 /nfs/dbraw/zinc/07/78/35/363077835.db2.gz YCDPJIRNZDEOFZ-AWEZNQCLSA-N -1 0 291.328 2.123 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c1 ZINC000154888831 188168432 /nfs/dbraw/zinc/16/84/32/188168432.db2.gz HCNSMQPWFUSJMZ-LSDHHAIUSA-N -1 0 296.326 2.451 50 0 CEAARM O=C([O-])C1=Nc2ncnn2[C@H](c2cccc3ccccc32)C1 ZINC000012323384 304035815 /nfs/dbraw/zinc/03/58/15/304035815.db2.gz HEOYTIYJHTWXOC-AWEZNQCLSA-N -1 0 292.298 2.415 50 0 CEAARM CCCc1ncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000236940616 370661020 /nfs/dbraw/zinc/66/10/20/370661020.db2.gz GMNWAIZHKNCPON-CYBMUJFWSA-N -1 0 282.365 2.032 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C(=O)[O-] ZINC000195542094 299214901 /nfs/dbraw/zinc/21/49/01/299214901.db2.gz QCQXITRXVGUWNX-WHGOUJPWSA-N -1 0 267.712 2.033 50 0 CEAARM C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)[C@@H](C)C(=O)[O-] ZINC000132692764 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O=C([O-])CCCC(=O)Nc1cc(F)c(F)cc1F ZINC000000040300 361120142 /nfs/dbraw/zinc/12/01/42/361120142.db2.gz WBZIHCIBAIRQPV-UHFFFAOYSA-N -1 0 261.199 2.297 50 0 CEAARM O=C([O-])[C@H]1CS[C@H](c2cccc(Br)c2)N1 ZINC000000138441 361134057 /nfs/dbraw/zinc/13/40/57/361134057.db2.gz LZVZEQCJORCGOK-RKDXNWHRSA-N -1 0 288.166 2.237 50 0 CEAARM CCc1cccc(CC)c1N1C[C@H](C(=O)[O-])CC1=O ZINC000000151459 361136317 /nfs/dbraw/zinc/13/63/17/361136317.db2.gz KKIVDCGOBHNFQC-GFCCVEGCSA-N -1 0 261.321 2.249 50 0 CEAARM CN(C(=O)OCc1ccccc1)C(C)(C)C(=O)[O-] ZINC000000156008 361137390 /nfs/dbraw/zinc/13/73/90/361137390.db2.gz QCDSXBNEBTVGTP-UHFFFAOYSA-N -1 0 251.282 2.118 50 0 CEAARM Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)[O-])ccc12 ZINC000000303510 361159366 /nfs/dbraw/zinc/15/93/66/361159366.db2.gz ZPMUQDKHXOEAMF-SECBINFHSA-N -1 0 262.261 2.262 50 0 CEAARM COc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000306465 361159405 /nfs/dbraw/zinc/15/94/05/361159405.db2.gz IJVLENARSSQFSI-CHWSQXEVSA-N -1 0 291.347 2.202 50 0 CEAARM COc1ccc2ccc(OC)c(/C=C3/NC(=O)[N-]C3=O)c2c1 ZINC000000072198 361123757 /nfs/dbraw/zinc/12/37/57/361123757.db2.gz CDWBZEYYFWOBNH-MDWZMJQESA-N -1 0 298.298 2.037 50 0 CEAARM O=C([N-]Cc1cccnc1)C(Cl)(Cl)Cl ZINC000000458467 361177040 /nfs/dbraw/zinc/17/70/40/361177040.db2.gz XEJQZIXFIOHBQH-UHFFFAOYSA-N -1 0 253.516 2.068 50 0 CEAARM O=C([O-])Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000001385177 361202322 /nfs/dbraw/zinc/20/23/22/361202322.db2.gz FJGUUPQXRZGZTC-UHFFFAOYSA-N -1 0 299.282 2.295 50 0 CEAARM CC(C)Oc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000000332704 361162599 /nfs/dbraw/zinc/16/25/99/361162599.db2.gz SQPVACLHVRWFLM-ZDUSSCGKSA-N -1 0 277.320 2.163 50 0 CEAARM Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000002740444 361247233 /nfs/dbraw/zinc/24/72/33/361247233.db2.gz FLXBWGNEEOKPCJ-GHMZBOCLSA-N -1 0 262.309 2.220 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000001662549 361215231 /nfs/dbraw/zinc/21/52/31/361215231.db2.gz KPDKYEYDFMKPIK-UHFFFAOYSA-N -1 0 262.334 2.499 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277.295 2.162 50 0 CEAARM COc1cccc(CC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000013168278 361422403 /nfs/dbraw/zinc/42/24/03/361422403.db2.gz RZJZVCWLSYORRN-UHFFFAOYSA-N -1 0 291.347 2.141 50 0 CEAARM O=C([O-])C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000013174727 361424008 /nfs/dbraw/zinc/42/40/08/361424008.db2.gz LERAWQCBUFZQNV-NWDGAFQWSA-N -1 0 297.738 2.151 50 0 CEAARM CCNC(=O)COc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000013423176 361427856 /nfs/dbraw/zinc/42/78/56/361427856.db2.gz VSWBMYUJEMEBDO-UHFFFAOYSA-N -1 0 292.118 2.207 50 0 CEAARM C[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N1CCC(C)CC1 ZINC000013412937 361428137 /nfs/dbraw/zinc/42/81/37/361428137.db2.gz JEGYITCQSSIYSE-GFCCVEGCSA-N -1 0 291.347 2.411 50 0 CEAARM Cc1cccc(OCC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000013092011 361418613 /nfs/dbraw/zinc/41/86/13/361418613.db2.gz CZNGLUHMDAQYQX-UHFFFAOYSA-N -1 0 299.326 2.388 50 0 CEAARM COc1ccc(C(C)(C)C)cc1NC(=O)COCC(=O)[O-] ZINC000017023707 361502754 /nfs/dbraw/zinc/50/27/54/361502754.db2.gz 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364540428 /nfs/dbraw/zinc/54/04/28/364540428.db2.gz GCPQDUDCTCGTCZ-UHFFFAOYSA-N -1 0 257.083 2.317 50 0 CEAARM O=C(c1c[nH]nc1C(F)(F)F)c1ccccc1[O-] ZINC000100225733 364541880 /nfs/dbraw/zinc/54/18/80/364541880.db2.gz WJDAVZRQEJBKSH-UHFFFAOYSA-N -1 0 256.183 2.365 50 0 CEAARM CCOC(=O)c1c([O-])c2cc(F)c(F)cc2n(CC)c1=O ZINC000100980631 364553825 /nfs/dbraw/zinc/55/38/25/364553825.db2.gz RJSNXEIAIZHCHV-UHFFFAOYSA-N -1 0 297.257 2.182 50 0 CEAARM C[C@H](CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000245343988 370809204 /nfs/dbraw/zinc/80/92/04/370809204.db2.gz WUVJXCXYLVHMCH-HLTSFMKQSA-N -1 0 299.729 2.420 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000164436207 367286691 /nfs/dbraw/zinc/28/66/91/367286691.db2.gz GTXAZYVEUDKWAC-SSDOTTSWSA-N -1 0 271.675 2.026 50 0 CEAARM O=C([O-])C1(NC(=O)CCc2ccccc2Cl)CCC1 ZINC000164874809 367297840 /nfs/dbraw/zinc/29/78/40/367297840.db2.gz JZNURKRVFPBNOJ-UHFFFAOYSA-N -1 0 281.739 2.396 50 0 CEAARM CS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000170066929 367375465 /nfs/dbraw/zinc/37/54/65/367375465.db2.gz WJFPQFJVZGHFBX-ZJUUUORDSA-N -1 0 294.376 2.136 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2c(F)cccc2Cl)N1 ZINC000003910392 304137915 /nfs/dbraw/zinc/13/79/15/304137915.db2.gz PRXCOYDDYVVUSY-CBAPKCEASA-N -1 0 261.705 2.267 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000253369465 304145793 /nfs/dbraw/zinc/14/57/93/304145793.db2.gz CWGIZFCXZAPCGK-UTUOFQBUSA-N -1 0 277.320 2.444 50 0 CEAARM CCS(=O)(=O)[N-]c1cc(-c2cc(C)ccc2F)[nH]n1 ZINC000187148663 369110579 /nfs/dbraw/zinc/11/05/79/369110579.db2.gz NVGGFEOMGWEUNH-UHFFFAOYSA-N -1 0 283.328 2.286 50 0 CEAARM CCCc1noc2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000000197476 284125579 /nfs/dbraw/zinc/12/55/79/284125579.db2.gz DNSXIHZQFHIVOQ-LLVKDONJSA-N -1 0 265.309 2.181 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccs1 ZINC000022151227 304153134 /nfs/dbraw/zinc/15/31/34/304153134.db2.gz GKXVRCAEHXTPPE-LBPRGKRZSA-N -1 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O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000253370611 371511367 /nfs/dbraw/zinc/51/13/67/371511367.db2.gz TVFGZWKEGBWVQO-FOGDFJRCSA-N -1 0 279.723 2.164 50 0 CEAARM COc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)ccc1C ZINC000237227657 189869902 /nfs/dbraw/zinc/86/99/02/189869902.db2.gz JMXLGIUVHASKBZ-NSHDSACASA-N -1 0 291.347 2.329 50 0 CEAARM Cc1cccc([C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237450045 189876861 /nfs/dbraw/zinc/87/68/61/189876861.db2.gz IVXJIVSWJMZZCN-GFCCVEGCSA-N -1 0 275.348 2.422 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCOC3(CCCC3)C2)s1 ZINC000237996312 189896796 /nfs/dbraw/zinc/89/67/96/189896796.db2.gz HTXHDGYHMZEQNO-UHFFFAOYSA-N -1 0 295.360 2.232 50 0 CEAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000039408479 304176194 /nfs/dbraw/zinc/17/61/94/304176194.db2.gz HIHCMWIQHUQLBO-SNVBAGLBSA-N -1 0 298.136 2.025 50 0 CEAARM O=C([O-])[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000058266383 304180361 /nfs/dbraw/zinc/18/03/61/304180361.db2.gz VSDLBCQRDLKQIN-GFCCVEGCSA-N -1 0 259.309 2.002 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Nc2cccs2)C1 ZINC000061968097 304182890 /nfs/dbraw/zinc/18/28/90/304182890.db2.gz COEDOZRBTCEZGZ-QMMMGPOBSA-N -1 0 254.311 2.077 50 0 CEAARM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)C)cs1 ZINC000381438013 375174375 /nfs/dbraw/zinc/17/43/75/375174375.db2.gz XQRSMCDEOGYDEA-UHFFFAOYSA-N -1 0 255.339 2.239 50 0 CEAARM Cc1nc(=NCc2oc(C(C)C)nc2C)s[n-]1 ZINC000408518551 375506321 /nfs/dbraw/zinc/50/63/21/375506321.db2.gz NHQBIQSAJCFTDN-UHFFFAOYSA-N -1 0 252.343 2.300 50 0 CEAARM COc1cc(C(=O)[O-])ccc1NC(=O)CC[C@H]1CCCO1 ZINC000262934723 190065287 /nfs/dbraw/zinc/06/52/87/190065287.db2.gz LONNPFSERTYEBV-LLVKDONJSA-N -1 0 293.319 2.291 50 0 CEAARM Cc1cc(F)ccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000263274728 190067216 /nfs/dbraw/zinc/06/72/16/190067216.db2.gz QDGRIPCDSBPFMI-CYBMUJFWSA-N -1 0 291.322 2.461 50 0 CEAARM C[C@@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)[C@@H](C)C(=O)[O-] ZINC000263441090 190068855 /nfs/dbraw/zinc/06/88/55/190068855.db2.gz 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ZINC000008608370 304254882 /nfs/dbraw/zinc/25/48/82/304254882.db2.gz XSPMPECLMUUOPB-UHFFFAOYSA-N -1 0 269.256 2.341 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000000280288 259999466 /nfs/dbraw/zinc/99/94/66/259999466.db2.gz GYUQJDSKNBDITI-QWHCGFSZSA-N -1 0 273.332 2.467 50 0 CEAARM O=C([O-])c1nc(Br)sc1Br ZINC000031772044 304283203 /nfs/dbraw/zinc/28/32/03/304283203.db2.gz BJOOXANOAMTJPK-UHFFFAOYSA-N -1 0 286.932 2.366 50 0 CEAARM O=C([O-])c1nnn(-c2ccc(Cl)cc2)c1[C@H]1CCCO1 ZINC000011730643 304285258 /nfs/dbraw/zinc/28/52/58/304285258.db2.gz GXTWSDGSMMKAIT-SNVBAGLBSA-N -1 0 293.710 2.470 50 0 CEAARM CCC(=O)N1[C@H](C)c2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000002128525 394452143 /nfs/dbraw/zinc/45/21/43/394452143.db2.gz BDWJQIXBIXVUMM-NOZJJQNGSA-N -1 0 286.331 2.477 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NC2CCCC2)[C@@H](C(=O)[O-])C1 ZINC000004651447 394456800 /nfs/dbraw/zinc/45/68/00/394456800.db2.gz HDYHOIBFUFLCSP-STQMWFEESA-N -1 0 265.353 2.492 50 0 CEAARM CC(C)C1N=NC(=S)N1c1ccc(C(=O)[O-])cc1 ZINC000015107825 394466189 /nfs/dbraw/zinc/46/61/89/394466189.db2.gz BLNKIBRFTXWAFL-UHFFFAOYSA-N -1 0 263.322 2.378 50 0 CEAARM Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1C ZINC000022218965 394473749 /nfs/dbraw/zinc/47/37/49/394473749.db2.gz TXVDLQWWBZGVFL-CYBMUJFWSA-N -1 0 261.321 2.383 50 0 CEAARM CC(C)(C)c1ncsc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236768581 394487034 /nfs/dbraw/zinc/48/70/34/394487034.db2.gz VLNIDXHGVJLKFQ-AWEZNQCLSA-N -1 0 296.392 2.377 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255618928 394585192 /nfs/dbraw/zinc/58/51/92/394585192.db2.gz XNAICVCXLATPQG-CFHLNLSMSA-N -1 0 296.326 2.181 50 0 CEAARM C[C@@H](Cc1ncc[nH]1)OCc1cccc(C(=O)[O-])c1 ZINC000519716741 395213467 /nfs/dbraw/zinc/21/34/67/395213467.db2.gz YLVDVHDHWATTFL-JTQLQIEISA-N -1 0 260.293 2.256 50 0 CEAARM Cc1ccc(C(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000000122029 292047523 /nfs/dbraw/zinc/04/75/23/292047523.db2.gz QDMDEGINDJIUNU-CQSZACIVSA-N -1 0 287.315 2.404 50 0 CEAARM O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169967199 400286536 /nfs/dbraw/zinc/28/65/36/400286536.db2.gz GIHBAHKYQKLNRE-VHSXEESVSA-N -1 0 287.237 2.010 50 0 CEAARM Cc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@@H]2CCCOC2)c1 ZINC000263325018 154058951 /nfs/dbraw/zinc/05/89/51/154058951.db2.gz OMVXZNDHWLEVGL-LBPRGKRZSA-N -1 0 291.347 2.192 50 0 CEAARM C[C@H](CN(C)c1ccnc(Cc2ccccc2)n1)C(=O)[O-] ZINC000263545829 154120828 /nfs/dbraw/zinc/12/08/28/154120828.db2.gz GVQUZRQYNNQZRH-GFCCVEGCSA-N -1 0 285.347 2.224 50 0 CEAARM Cc1scc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1C ZINC000263555765 154125513 /nfs/dbraw/zinc/12/55/13/154125513.db2.gz YSKZNMFQCATZLM-LBPRGKRZSA-N -1 0 271.313 2.004 50 0 CEAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2ccc(F)cn2)C1 ZINC000091665002 292379400 /nfs/dbraw/zinc/37/94/00/292379400.db2.gz IMTXOMWPLDAZRE-HNNXBMFYSA-N -1 0 296.342 2.319 50 0 CEAARM O=C([O-])c1ccn(COc2cccc(Cl)c2)n1 ZINC000002535559 169804367 /nfs/dbraw/zinc/80/43/67/169804367.db2.gz 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AYKDASWNEUFVRH-UHFFFAOYSA-N -1 0 264.306 2.227 50 0 CEAARM CCCCOC(=O)c1cccc(Nc2nncc(=O)[n-]2)c1 ZINC000008744459 170353380 /nfs/dbraw/zinc/35/33/80/170353380.db2.gz RTNWUSRHMCNKFK-UHFFFAOYSA-N -1 0 288.307 2.278 50 0 CEAARM Cc1nc2cc(C(=O)[O-])ccc2n1C[C@H]1CCCO1 ZINC000009238061 170367913 /nfs/dbraw/zinc/36/79/13/170367913.db2.gz NSXCTDXWCVZHBS-LLVKDONJSA-N -1 0 260.293 2.222 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000013167202 170538361 /nfs/dbraw/zinc/53/83/61/170538361.db2.gz GECAOKNFSPLPIP-UHFFFAOYSA-N -1 0 273.288 2.370 50 0 CEAARM CCN(C(=O)c1cccnc1)c1ccccc1C(=O)[O-] ZINC000015922198 170681545 /nfs/dbraw/zinc/68/15/45/170681545.db2.gz UNFJYMIVCYJDOF-UHFFFAOYSA-N -1 0 270.288 2.447 50 0 CEAARM O=C([O-])c1cccc(N2C(=S)N=NC2c2ccncc2)c1 ZINC000018191200 170746659 /nfs/dbraw/zinc/74/66/59/170746659.db2.gz XJNVXUJNUIHRBE-UHFFFAOYSA-N -1 0 298.327 2.316 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000019277709 170770050 /nfs/dbraw/zinc/77/00/50/170770050.db2.gz NDAYWWPZPIGMDX-SNVBAGLBSA-N -1 0 287.237 2.395 50 0 CEAARM Cc1ccc(C)c(-n2nnc(C(=O)[O-])c2C2CC2)c1 ZINC000019813414 170879878 /nfs/dbraw/zinc/87/98/78/170879878.db2.gz NUHMLLFSGMITSI-UHFFFAOYSA-N -1 0 257.293 2.460 50 0 CEAARM CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000020249400 171102055 /nfs/dbraw/zinc/10/20/55/171102055.db2.gz SNFOUMUDOQSPKF-ZDUSSCGKSA-N -1 0 263.337 2.235 50 0 in-vitro CEAARM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 ZINC000020259391 171114748 /nfs/dbraw/zinc/11/47/48/171114748.db2.gz KRACVFOXWMAOMI-NSHDSACASA-N -1 0 279.679 2.489 50 0 CEAARM CCn1ncc2c1nc(-c1ccncc1)cc2C(=O)[O-] ZINC000022222171 171378921 /nfs/dbraw/zinc/37/89/21/171378921.db2.gz UNXCOFLXZAZKNR-UHFFFAOYSA-N -1 0 268.276 2.211 50 0 CEAARM O=C([O-])Cn1c2ccccc2n(C2=CCCCC2)c1=O ZINC000032628387 171740514 /nfs/dbraw/zinc/74/05/14/171740514.db2.gz RTCNCJYIXJQJCY-UHFFFAOYSA-N -1 0 272.304 2.303 50 0 CEAARM Cn1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000036974581 172841475 /nfs/dbraw/zinc/84/14/75/172841475.db2.gz WXTKVZXEJAHYPW-NSHDSACASA-N -1 0 286.331 2.115 50 0 CEAARM Cc1cc(Cl)ccc1OCC(=O)NCCCC(=O)[O-] ZINC000037409928 173185665 /nfs/dbraw/zinc/18/56/65/173185665.db2.gz WUVYDVMRNWNKSH-UHFFFAOYSA-N -1 0 285.727 2.008 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000037517945 173248484 /nfs/dbraw/zinc/24/84/84/173248484.db2.gz HDMPGSBEGYNNCS-XROYCOCOSA-N -1 0 267.712 2.238 50 0 CEAARM O=C([O-])CN(C(=O)c1cc(C2CC2)on1)c1ccccc1 ZINC000037584620 173531133 /nfs/dbraw/zinc/53/11/33/173531133.db2.gz VOQNWZOMIATTQY-UHFFFAOYSA-N -1 0 286.287 2.283 50 0 CEAARM CCc1sc(C(=O)N(CC(=O)[O-])C2CC2)cc1C ZINC000037589089 173537197 /nfs/dbraw/zinc/53/71/97/173537197.db2.gz APRULBNDRNKRGK-UHFFFAOYSA-N -1 0 267.350 2.308 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000038025750 174010554 /nfs/dbraw/zinc/01/05/54/174010554.db2.gz CVUAPLMQZZFCLZ-NWDGAFQWSA-N -1 0 251.326 2.199 50 0 CEAARM O=C([O-])CCC[S@@](=O)c1ccc(Br)cc1 ZINC000040958349 174439761 /nfs/dbraw/zinc/43/97/61/174439761.db2.gz HCNOYBCQJITLQQ-HNNXBMFYSA-N -1 0 291.166 2.422 50 0 CEAARM Cc1cccc(CCC(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000051967216 175529806 /nfs/dbraw/zinc/52/98/06/175529806.db2.gz SOGBRDDLSCVGPU-HNNXBMFYSA-N -1 0 293.388 2.004 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000062118959 175663900 /nfs/dbraw/zinc/66/39/00/175663900.db2.gz VJUNSGPDGJPLCG-JTQLQIEISA-N -1 0 275.329 2.448 50 0 CEAARM O=C([O-])c1cccn2c(NCC3CCCC3)nnc12 ZINC000064038096 175690105 /nfs/dbraw/zinc/69/01/05/175690105.db2.gz DKMWHVLTNLBTQH-UHFFFAOYSA-N -1 0 260.297 2.030 50 0 CEAARM CC1(C)C[C@H](NC(=O)CCc2ccccc2C(=O)[O-])CO1 ZINC000659167892 415432459 /nfs/dbraw/zinc/43/24/59/415432459.db2.gz RDIXFAIWWXILPZ-LBPRGKRZSA-N -1 0 291.347 2.001 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)cc1 ZINC000065288225 175707965 /nfs/dbraw/zinc/70/79/65/175707965.db2.gz YHFURDNGYGAION-UHFFFAOYSA-N -1 0 280.287 2.336 50 0 CEAARM COc1ccccc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000071731608 176256329 /nfs/dbraw/zinc/25/63/29/176256329.db2.gz IVKGZLBLNSKKLP-JTQLQIEISA-N -1 0 277.320 2.021 50 0 CEAARM Cc1csc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)n1 ZINC000071921522 176300849 /nfs/dbraw/zinc/30/08/49/176300849.db2.gz LZNRDOSEEWGGBK-UHFFFAOYSA-N -1 0 286.382 2.099 50 0 CEAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnc(C)cn2)cc1 ZINC000072293254 176362554 /nfs/dbraw/zinc/36/25/54/176362554.db2.gz PQCVGLWBWTXXHR-CYBMUJFWSA-N -1 0 299.330 2.039 50 0 CEAARM CC(=O)c1cnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000075146106 176665944 /nfs/dbraw/zinc/66/59/44/176665944.db2.gz FELOSTQFHARYLZ-UHFFFAOYSA-N -1 0 282.346 2.147 50 0 CEAARM O=C([O-])CC1(CC(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000079032314 177418279 /nfs/dbraw/zinc/41/82/79/177418279.db2.gz DNDSMUSVGKPQSQ-UHFFFAOYSA-N -1 0 291.347 2.218 50 0 CEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(Cl)cc1 ZINC000000333970 278075676 /nfs/dbraw/zinc/07/56/76/278075676.db2.gz ITFOVUAHECKYBQ-QWRGUYRKSA-N -1 0 285.752 2.387 50 0 CEAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)cc1 ZINC000004370981 295251313 /nfs/dbraw/zinc/25/13/13/295251313.db2.gz FFOGITXWOOXGEE-QWRGUYRKSA-N -1 0 267.350 2.262 50 0 CEAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000263306033 298209190 /nfs/dbraw/zinc/20/91/90/298209190.db2.gz OLPBOQUXVGDNDK-DVVUODLYSA-N -1 0 281.739 2.375 50 0 CEAARM Cc1cc(=O)c2cccc(Cl)c2n1CC(=O)[O-] ZINC000026507904 301066480 /nfs/dbraw/zinc/06/64/80/301066480.db2.gz FDUHKRDRUFZGNA-UHFFFAOYSA-N -1 0 251.669 2.048 50 0 CEAARM Cc1cc(C(F)(F)F)nc(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000012357716 301160070 /nfs/dbraw/zinc/16/00/70/301160070.db2.gz JLQPCZURQYDUQL-QMMMGPOBSA-N -1 0 289.257 2.105 50 0 CEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000252364468 301523531 /nfs/dbraw/zinc/52/35/31/301523531.db2.gz JJGDUCOTVAHZIE-YUTCNCBUSA-N -1 0 288.347 2.248 50 0 CEAARM O=S(=O)([O-])c1ccc(Br)c2ccncc21 ZINC000071624001 304768559 /nfs/dbraw/zinc/76/85/59/304768559.db2.gz PLBHWUSEDWFDTC-UHFFFAOYSA-N -1 0 288.122 2.244 50 0 CEAARM Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000002740443 302003684 /nfs/dbraw/zinc/00/36/84/302003684.db2.gz FLXBWGNEEOKPCJ-WDEREUQCSA-N -1 0 262.309 2.220 50 0 CEAARM Cc1ccccc1NCCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262626240 302106223 /nfs/dbraw/zinc/10/62/23/302106223.db2.gz DNVCXMNLYSVJDT-CQSZACIVSA-N -1 0 290.363 2.263 50 0 CEAARM Cc1ccncc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000262300254 302288818 /nfs/dbraw/zinc/28/88/18/302288818.db2.gz AGAZKLDANYPWJR-UBHSHLNASA-N -1 0 288.347 2.248 50 0 CEAARM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1 ZINC000002797812 303043035 /nfs/dbraw/zinc/04/30/35/303043035.db2.gz IWOBZUKOWWIXNA-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM CCCCOc1cc(F)ccc1-c1nc(C(=O)[O-])nn1C ZINC000534585866 328315202 /nfs/dbraw/zinc/31/52/02/328315202.db2.gz HWBWJLUALZHBSM-UHFFFAOYSA-N -1 0 293.298 2.498 50 0 CEAARM Cc1cc2occ(CC(=O)N3CC=C[C@H]3C(=O)[O-])c2c(C)c1 ZINC000534633682 328332784 /nfs/dbraw/zinc/33/27/84/328332784.db2.gz YQMIJBZXJYQDEV-ZDUSSCGKSA-N -1 0 299.326 2.444 50 0 CEAARM O=C(NCC1(c2ccccc2F)CCCC1)c1cn[nH]n1 ZINC000534648559 328343654 /nfs/dbraw/zinc/34/36/54/328343654.db2.gz DRXDRSOJAVWBIA-UHFFFAOYSA-N -1 0 288.326 2.186 50 0 CEAARM CCCOC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000004077550 528579977 /nfs/dbraw/zinc/57/99/77/528579977.db2.gz QYRSOKUTFBRNAL-UHFFFAOYSA-N -1 0 279.292 2.057 50 0 CEAARM CCCS(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000096502204 528814368 /nfs/dbraw/zinc/81/43/68/528814368.db2.gz IQJCFZIPWPCPEM-SECBINFHSA-N -1 0 273.320 2.437 50 0 CEAARM C/C(=C/C(=O)N(C)C[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000097018576 600360214 /nfs/dbraw/zinc/36/02/14/600360214.db2.gz JWZFMYIQNVRUFE-ZJRUKIMVSA-N -1 0 279.311 2.408 50 0 CEAARM CC(C)c1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nn1 ZINC000091625341 624066877 /nfs/dbraw/zinc/06/68/77/624066877.db2.gz LKKZOSBMEBOIRY-NWDGAFQWSA-N -1 0 275.352 2.147 50 0 CEAARM Cc1cnc(NC(=O)N(C)[C@H](CC(C)C)C(=O)[O-])s1 ZINC000825101139 635568735 /nfs/dbraw/zinc/56/87/35/635568735.db2.gz FMGFWSKPBRCJQJ-SECBINFHSA-N -1 0 285.369 2.415 50 0 CEAARM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)on1 ZINC000095957002 185042908 /nfs/dbraw/zinc/04/29/08/185042908.db2.gz NPCAGVOJKPBEHO-LLVKDONJSA-N -1 0 292.266 2.068 50 0 CEAARM C[C@H](CC(=O)[O-])NC(=O)C(C)(C)c1ccccc1F ZINC000095970383 185048878 /nfs/dbraw/zinc/04/88/78/185048878.db2.gz NKRCFLJYBFLXPG-SECBINFHSA-N -1 0 267.300 2.083 50 0 CEAARM Cc1occc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000095989764 185057894 /nfs/dbraw/zinc/05/78/94/185057894.db2.gz GOSBMMOKBXYOGZ-GFCCVEGCSA-N -1 0 277.251 2.283 50 0 CEAARM CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000032848267 361760151 /nfs/dbraw/zinc/76/01/51/361760151.db2.gz COYQALDDJWBAKF-VIFPVBQESA-N -1 0 257.717 2.483 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000096793843 185114452 /nfs/dbraw/zinc/11/44/52/185114452.db2.gz KZKYAAHXELATLZ-KRZKBDHCSA-N -1 0 277.295 2.162 50 0 CEAARM COc1cccc(CCC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000036974837 361877551 /nfs/dbraw/zinc/87/75/51/361877551.db2.gz ZPYYKGHUTWWQBB-AWEZNQCLSA-N -1 0 291.347 2.094 50 0 CEAARM CS(=O)(=O)c1cc(Cl)c(C(=O)[O-])c(Cl)c1 ZINC000037594024 361908317 /nfs/dbraw/zinc/90/83/17/361908317.db2.gz NHCGKUSJQYWQCS-UHFFFAOYSA-N -1 0 269.105 2.095 50 0 CEAARM CC/C=C(/C)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000097001523 185150682 /nfs/dbraw/zinc/15/06/82/185150682.db2.gz QBAJWCCXANJLRC-GHXNOFRVSA-N -1 0 261.321 2.456 50 0 CEAARM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000037730850 361925692 /nfs/dbraw/zinc/92/56/92/361925692.db2.gz VJXBIGKQQANLHB-UHFFFAOYSA-N -1 0 288.332 2.067 50 0 CEAARM Cc1cccc(C)c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000097035293 185156738 /nfs/dbraw/zinc/15/67/38/185156738.db2.gz WAFHCRSXUYAKPS-LBPRGKRZSA-N -1 0 261.321 2.240 50 0 CEAARM C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037829778 361952634 /nfs/dbraw/zinc/95/26/34/361952634.db2.gz JTMMSJFQLRZDTA-GGVZMXCHSA-N -1 0 283.274 2.205 50 0 CEAARM CC/C=C(/C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000040217582 361991772 /nfs/dbraw/zinc/99/17/72/361991772.db2.gz FHHLWGZNHDUHBG-RQWJFSOLSA-N -1 0 273.332 2.381 50 0 CEAARM C[C@H]1OCCC[C@@H]1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558538 349633520 /nfs/dbraw/zinc/63/35/20/349633520.db2.gz IUKNSTNWCFVYNX-YGRLFVJLSA-N -1 0 289.331 2.042 50 0 CEAARM CC[C@H](C)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000621609272 349643099 /nfs/dbraw/zinc/64/30/99/349643099.db2.gz JDOCWSIQQYNEJR-BQBZGAKWSA-N -1 0 256.327 2.065 50 0 CEAARM O=Cc1c(F)cncc1-c1ccc(C(=O)[O-])s1 ZINC000725261091 539209065 /nfs/dbraw/zinc/20/90/65/539209065.db2.gz MLEYOTSSAUZGDY-UHFFFAOYSA-N -1 0 251.238 2.460 50 0 CEAARM COc1ccc2c(c1)C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000000984381 343351075 /nfs/dbraw/zinc/35/10/75/343351075.db2.gz UMZVNPPXZYKEMR-UHFFFAOYSA-N -1 0 297.266 2.194 50 0 CEAARM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000049419656 362360023 /nfs/dbraw/zinc/36/00/23/362360023.db2.gz LWAWEVAMBUXSME-UHFFFAOYSA-N -1 0 296.392 2.074 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000049842058 362379734 /nfs/dbraw/zinc/37/97/34/362379734.db2.gz HYZDAGUJKGULOR-QWHCGFSZSA-N -1 0 265.353 2.446 50 0 CEAARM O=C([O-])c1cc(-c2ccccc2)cc(-n2cnnn2)c1 ZINC000166744112 344476730 /nfs/dbraw/zinc/47/67/30/344476730.db2.gz OTKMSAZBKNBESP-UHFFFAOYSA-N -1 0 266.260 2.028 50 0 CEAARM C[C@@]1(C(=O)[O-])CC(c2cccc(Cl)c2F)=NO1 ZINC000226081793 344548623 /nfs/dbraw/zinc/54/86/23/344548623.db2.gz VOFBKPLGCKRATB-NSHDSACASA-N -1 0 257.648 2.447 50 0 CEAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccccc1Cl ZINC000050292100 362414263 /nfs/dbraw/zinc/41/42/63/362414263.db2.gz HZIPAEOTGPTHMJ-MRVPVSSYSA-N -1 0 267.712 2.382 50 0 CEAARM CCc1nc(=NCc2c3nc[nH]c3ccc2F)s[n-]1 ZINC000585132723 345005618 /nfs/dbraw/zinc/00/56/18/345005618.db2.gz PJLOIDJLTFCKMW-UHFFFAOYSA-N -1 0 277.328 2.150 50 0 CEAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)Cc1cccc(Cl)c1 ZINC000061216585 362677578 /nfs/dbraw/zinc/67/75/78/362677578.db2.gz 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/nfs/dbraw/zinc/85/05/85/362850585.db2.gz XTUBEYOOACOQFX-MRVPVSSYSA-N -1 0 290.300 2.021 50 0 CEAARM CC(C)(C)OC(=O)N1CC(Oc2cccc(C(=O)[O-])c2)C1 ZINC000066324413 362860953 /nfs/dbraw/zinc/86/09/53/362860953.db2.gz SGEYBVUVIKAEMJ-UHFFFAOYSA-N -1 0 293.319 2.383 50 0 CEAARM CC(C)(C)OC(=O)N1CC(Oc2ccc(C(=O)[O-])cc2)C1 ZINC000066324414 362861020 /nfs/dbraw/zinc/86/10/20/362861020.db2.gz BWILLSLXSIKGTH-UHFFFAOYSA-N -1 0 293.319 2.383 50 0 CEAARM Nc1cncc(-n2ccnc2-c2cccc(C(=O)[O-])c2)c1 ZINC000067851732 362928449 /nfs/dbraw/zinc/92/84/49/362928449.db2.gz TVTHGJHTANUTMM-UHFFFAOYSA-N -1 0 280.287 2.215 50 0 CEAARM CC[C@@H](CCO)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000129384545 187427341 /nfs/dbraw/zinc/42/73/41/187427341.db2.gz IYEHQWPZTQAMOG-VIFPVBQESA-N -1 0 294.376 2.255 50 0 CEAARM CC(C)[C@@H]1CN(C(=O)c2cccn2C2CC2)C[C@H]1C(=O)[O-] ZINC000091637001 180210996 /nfs/dbraw/zinc/21/09/96/180210996.db2.gz JJPBNWHNKWBRJW-QWHCGFSZSA-N -1 0 290.363 2.252 50 0 CEAARM CSCC[C@@H](NC(=O)c1sccc1Cl)C(=O)[O-] ZINC000130742852 365985235 /nfs/dbraw/zinc/98/52/35/365985235.db2.gz NGFOFLWKXJECMV-SSDOTTSWSA-N -1 0 293.797 2.338 50 0 CEAARM Cc1ncsc1CN(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000111673696 186440959 /nfs/dbraw/zinc/44/09/59/186440959.db2.gz FALKHRJXNHPKBE-WDEREUQCSA-N -1 0 296.392 2.301 50 0 CEAARM O=C([O-])c1cccc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000630133006 351633112 /nfs/dbraw/zinc/63/31/12/351633112.db2.gz VWTRQOPGBZBWQP-UONOGXRCSA-N -1 0 289.331 2.386 50 0 CEAARM Cc1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)n1 ZINC000630261998 351673264 /nfs/dbraw/zinc/67/32/64/351673264.db2.gz HAAGQNJDGZPXNF-CYBMUJFWSA-N -1 0 290.363 2.401 50 0 CEAARM C[S@@](=O)C1=C([O-])c2ccc3ccccc3c2OC1 ZINC000071771934 363113664 /nfs/dbraw/zinc/11/36/64/363113664.db2.gz UBCMEXBMQLJFQR-SGTLLEGYSA-N -1 0 260.314 2.162 50 0 CEAARM O=C([O-])[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000072418124 363134541 /nfs/dbraw/zinc/13/45/41/363134541.db2.gz PRQLUKGPVBKRFV-MRXNPFEDSA-N -1 0 298.342 2.034 50 0 CEAARM C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)[C@H](C)C(=O)[O-] ZINC000132659866 187641568 /nfs/dbraw/zinc/64/15/68/187641568.db2.gz NDVUTHGIZQQGMM-VHSXEESVSA-N -1 0 288.303 2.181 50 0 CEAARM O=C([O-])C1(NC(=O)[C@H]2SCCc3ccccc32)CCC1 ZINC000237956048 304032423 /nfs/dbraw/zinc/03/24/23/304032423.db2.gz GLCULYXAIXVIFW-LBPRGKRZSA-N -1 0 291.372 2.141 50 0 CEAARM Cc1cc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)ccc1C(=O)[O-] ZINC000170591067 188672875 /nfs/dbraw/zinc/67/28/75/188672875.db2.gz PRQHKOWZTCFNPX-SNVBAGLBSA-N -1 0 299.330 2.160 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000237975882 304051160 /nfs/dbraw/zinc/05/11/60/304051160.db2.gz VWOZZCQBWUDCBY-QWRGUYRKSA-N -1 0 283.274 2.049 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C2(CCC2)C1 ZINC000575447700 366289551 /nfs/dbraw/zinc/28/95/51/366289551.db2.gz JRJNPYDJNKNDJO-SECBINFHSA-N -1 0 255.314 2.108 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C1CC1 ZINC000238082042 304065381 /nfs/dbraw/zinc/06/53/81/304065381.db2.gz PVUASBIFPPPTDN-QWRGUYRKSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])CCc1cccc(NC(=O)CC2CCOCC2)c1 ZINC000262470682 540403908 /nfs/dbraw/zinc/40/39/08/540403908.db2.gz YYNDEACXJJXODI-UHFFFAOYSA-N -1 0 291.347 2.459 50 0 CEAARM CC(C)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000136151502 366498338 /nfs/dbraw/zinc/49/83/38/366498338.db2.gz RBDBMMFAORIYLP-NSHDSACASA-N -1 0 293.338 2.427 50 0 CEAARM O=C([O-])C[C@H]1COCCN1Cc1c(F)cccc1Cl ZINC000097425042 304085445 /nfs/dbraw/zinc/08/54/45/304085445.db2.gz XMCBGRZRSFWFHH-VIFPVBQESA-N -1 0 287.718 2.155 50 0 CEAARM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236964399 370666534 /nfs/dbraw/zinc/66/65/34/370666534.db2.gz SCQFGURMTVPWNQ-NEPJUHHUSA-N -1 0 263.293 2.057 50 0 CEAARM CC(C)COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000034994 361119199 /nfs/dbraw/zinc/11/91/99/361119199.db2.gz VCFCBQYVWSKWEN-LLVKDONJSA-N -1 0 277.320 2.159 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1 ZINC000000112576 361130484 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Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)NC(C)C ZINC000001425268 361204820 /nfs/dbraw/zinc/20/48/20/361204820.db2.gz PQFSGNGLYKHRAF-AWEZNQCLSA-N -1 0 287.363 2.330 50 0 CEAARM Cc1csc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000000426163 361174011 /nfs/dbraw/zinc/17/40/11/361174011.db2.gz LSHPFCFZGWIBDJ-BDAKNGLRSA-N -1 0 268.338 2.281 50 0 CEAARM CC(=O)Nc1cc(NC(=O)CCC(=O)[O-])ccc1Cl ZINC000000451675 361175979 /nfs/dbraw/zinc/17/59/79/361175979.db2.gz ACUVHZRZCPPCBZ-UHFFFAOYSA-N -1 0 284.699 2.102 50 0 CEAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(N)cc3)n2)n1 ZINC000000536817 361184689 /nfs/dbraw/zinc/18/46/89/361184689.db2.gz GOYQUHJWLHDOQI-UHFFFAOYSA-N -1 0 281.323 2.204 50 0 CEAARM CCc1cc2c(ncnc2NCCC(=O)[O-])s1 ZINC000000554413 361186638 /nfs/dbraw/zinc/18/66/38/361186638.db2.gz FRKLHYPYUBUYJK-UHFFFAOYSA-N -1 0 251.311 2.140 50 0 CEAARM CCn1c2ccccc2n2c(S[C@@H](C)C(=O)[O-])nnc12 ZINC000000611682 361189809 /nfs/dbraw/zinc/18/98/09/361189809.db2.gz BHEVJCPGHPYCDR-QMMMGPOBSA-N -1 0 290.348 2.269 50 0 CEAARM O=C([O-])Cn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000000334994 361162646 /nfs/dbraw/zinc/16/26/46/361162646.db2.gz GYXUGIHFRFKEMD-UHFFFAOYSA-N -1 0 280.283 2.148 50 0 CEAARM CC1(C)[C@](C)(C(=O)[O-])[C@]12CC[C@@H]2C(=O)NCc1ccco1 ZINC000002461464 361235011 /nfs/dbraw/zinc/23/50/11/361235011.db2.gz YKDHCCFJXBEINY-RLCCDNCMSA-N -1 0 291.347 2.423 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1Cc2ccccc2C1 ZINC000002567264 361240820 /nfs/dbraw/zinc/24/08/20/361240820.db2.gz VCHHRDDQOOBPTC-CYBMUJFWSA-N -1 0 291.347 2.379 50 0 CEAARM O=C([O-])CCC(=O)c1ccccc1Br ZINC000002567379 361241083 /nfs/dbraw/zinc/24/10/83/361241083.db2.gz QMUGQPABWDUBDZ-UHFFFAOYSA-N -1 0 257.083 2.497 50 0 CEAARM COc1ccc(C(=O)[O-])cc1NCc1cccnc1 ZINC000004413500 361316212 /nfs/dbraw/zinc/31/62/12/361316212.db2.gz ROOPRDHQLJWLMT-UHFFFAOYSA-N -1 0 258.277 2.401 50 0 CEAARM O=C([O-])C1=C(C(=O)NCCc2ccccc2)CCCC1 ZINC000004601989 361323079 /nfs/dbraw/zinc/32/30/79/361323079.db2.gz GRCHGFQHYZZJAG-UHFFFAOYSA-N -1 0 273.332 2.301 50 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50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 ZINC000016527305 361490890 /nfs/dbraw/zinc/49/08/90/361490890.db2.gz GVAXHYLGIFDFKI-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C[C@H]1C=CCC1 ZINC000019514462 361540362 /nfs/dbraw/zinc/54/03/62/361540362.db2.gz HKZCMZHVQJBGSE-UONOGXRCSA-N -1 0 273.332 2.155 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000019511762 361540388 /nfs/dbraw/zinc/54/03/88/361540388.db2.gz SWNNOFCHSWFUPT-PORFMDCZSA-N -1 0 265.334 2.085 50 0 CEAARM Cc1cccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)c1 ZINC000019813834 361556687 /nfs/dbraw/zinc/55/66/87/361556687.db2.gz JHNIFTSHLMLFQY-UHFFFAOYSA-N -1 0 280.287 2.336 50 0 CEAARM NC(=O)c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000019426883 361534512 /nfs/dbraw/zinc/53/45/12/361534512.db2.gz QAGZWYKACUOXOW-UHFFFAOYSA-N -1 0 271.272 2.063 50 0 CEAARM COc1ccc(-c2c[nH]c(SCC(=O)[O-])n2)cc1 ZINC000026420253 361640136 /nfs/dbraw/zinc/64/01/36/361640136.db2.gz AQRDPVNSDIQIEJ-UHFFFAOYSA-N -1 0 264.306 2.262 50 0 CEAARM O=C([O-])CCc1csc(NC(=O)c2ccccc2)n1 ZINC000026423404 361640140 /nfs/dbraw/zinc/64/01/40/361640140.db2.gz FXEFAFZZZBPEHA-UHFFFAOYSA-N -1 0 276.317 2.413 50 0 CEAARM CCOc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1 ZINC000028248546 361670865 /nfs/dbraw/zinc/67/08/65/361670865.db2.gz SWRNMNVYGJQZAT-UHFFFAOYSA-N -1 0 298.389 2.073 50 0 CEAARM Cc1ccc(NC(=O)CCC(=O)[O-])cc1NC(=O)C1CC1 ZINC000030830930 361704059 /nfs/dbraw/zinc/70/40/59/361704059.db2.gz UZCYQNRQMUNGCA-UHFFFAOYSA-N -1 0 290.319 2.147 50 0 CEAARM CC(C)c1cc2c([nH]c(CSCC(=O)[O-])nc2=O)s1 ZINC000031775962 361718864 /nfs/dbraw/zinc/71/88/64/361718864.db2.gz VLXHBQREVKXSHN-UHFFFAOYSA-N -1 0 298.389 2.426 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000011890726 304113159 /nfs/dbraw/zinc/11/31/59/304113159.db2.gz URXUXNFNMXRTAJ-JTQLQIEISA-N -1 0 298.136 2.138 50 0 CEAARM Cc1cc(SCc2n[nH]c(=O)[n-]2)nc2ccccc12 ZINC000092869894 364114955 /nfs/dbraw/zinc/11/49/55/364114955.db2.gz OSWVFJUMKCAXNM-UHFFFAOYSA-N -1 0 272.333 2.247 50 0 CEAARM C[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237329216 370712101 /nfs/dbraw/zinc/71/21/01/370712101.db2.gz DYIBUEAWEPFXBH-GWCFXTLKSA-N -1 0 279.311 2.395 50 0 CEAARM COc1cccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c1F ZINC000237356774 370715336 /nfs/dbraw/zinc/71/53/36/370715336.db2.gz JUHJGEUYYXMMRW-VIFPVBQESA-N -1 0 295.310 2.160 50 0 CEAARM C[C@@H](Cc1cccs1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237377820 370716539 /nfs/dbraw/zinc/71/65/39/370716539.db2.gz KUTCAJHVIHCQBX-HZMBPMFUSA-N -1 0 281.377 2.250 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237440475 370721021 /nfs/dbraw/zinc/72/10/21/370721021.db2.gz SCVIOUDLJLTKJL-MWLCHTKSSA-N -1 0 297.301 2.424 50 0 CEAARM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1F ZINC000237450102 370722915 /nfs/dbraw/zinc/72/29/15/370722915.db2.gz SPVDZRQQQNXXSG-SNVBAGLBSA-N -1 0 279.311 2.252 50 0 CEAARM C[C@H](CCOc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237475660 370725589 /nfs/dbraw/zinc/72/55/89/370725589.db2.gz ZRIZPIZZLDOWPY-CHWSQXEVSA-N -1 0 291.347 2.025 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 ZINC000237944512 370761248 /nfs/dbraw/zinc/76/12/48/370761248.db2.gz GQANPKVATHABLE-VQCYPWCPSA-N -1 0 295.285 2.301 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000237968081 370763163 /nfs/dbraw/zinc/76/31/63/370763163.db2.gz UVCODYOCSRZELZ-JTQLQIEISA-N -1 0 291.351 2.004 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000238085532 370769524 /nfs/dbraw/zinc/76/95/24/370769524.db2.gz VHUSPSDMCMQLOQ-UHFFFAOYSA-N -1 0 288.130 2.269 50 0 CEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)C1CC1 ZINC000238079361 370769944 /nfs/dbraw/zinc/76/99/44/370769944.db2.gz PVUASBIFPPPTDN-WDEREUQCSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)C1CC1 ZINC000238081166 370770106 /nfs/dbraw/zinc/77/01/06/370770106.db2.gz VRWAXJPPXUHYIO-NEPJUHHUSA-N -1 0 295.285 2.144 50 0 CEAARM CC(C)(CC(=O)NCCCC(=O)[O-])c1ccccc1 ZINC000095424158 364369578 /nfs/dbraw/zinc/36/95/78/364369578.db2.gz JCOUCCQAGVVZLQ-UHFFFAOYSA-N -1 0 263.337 2.335 50 0 CEAARM CC(C)[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000095424140 364370009 /nfs/dbraw/zinc/37/00/09/364370009.db2.gz COECRKQWBXLLNF-BXKDBHETSA-N -1 0 267.300 2.155 50 0 CEAARM C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC000095424945 364371176 /nfs/dbraw/zinc/37/11/76/364371176.db2.gz NWOCJJGLQHICAG-ONGXEEELSA-N -1 0 255.358 2.428 50 0 CEAARM O=C([O-])[C@H](CNC(=O)c1ccccc1)Cc1ccccc1 ZINC000097228583 364480612 /nfs/dbraw/zinc/48/06/12/364480612.db2.gz ILRWEGLEEIGDAE-HNNXBMFYSA-N -1 0 283.327 2.360 50 0 CEAARM CC[C@@H](NC(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000097231363 364483162 /nfs/dbraw/zinc/48/31/62/364483162.db2.gz KPNRSWZROLAMBL-SNVBAGLBSA-N -1 0 289.253 2.227 50 0 CEAARM O=c1nc(-c2nc[nH]n2)[n-]c2sc(-c3ccccc3)cc21 ZINC000102747897 364608388 /nfs/dbraw/zinc/60/83/88/364608388.db2.gz FJKHLIUHSUFTFY-UHFFFAOYSA-N -1 0 295.327 2.437 50 0 CEAARM O=C([O-])[C@H]1CN(Cc2csc3ccccc23)CCO1 ZINC000113458978 364897476 /nfs/dbraw/zinc/89/74/76/364897476.db2.gz UUQSJXAKOJBCOZ-GFCCVEGCSA-N -1 0 277.345 2.187 50 0 CEAARM O=C([O-])C1(CNC(=O)c2ccccc2)CCCCC1 ZINC000117013137 365087607 /nfs/dbraw/zinc/08/76/07/365087607.db2.gz DCVPFDGNPVOOMW-UHFFFAOYSA-N -1 0 261.321 2.452 50 0 CEAARM COc1cc(Cl)cc(CN2CC[C@@H]2C(=O)[O-])c1OC ZINC000244620000 370792811 /nfs/dbraw/zinc/79/28/11/370792811.db2.gz FJZRHGILKKYNDS-SNVBAGLBSA-N -1 0 285.727 2.016 50 0 CEAARM O=C([O-])[C@@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000169676891 304129493 /nfs/dbraw/zinc/12/94/93/304129493.db2.gz VBNCNNJLEHGNGY-SECBINFHSA-N -1 0 279.361 2.174 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)c2ccnc(Cl)c2)c1 ZINC000170672199 367395683 /nfs/dbraw/zinc/39/56/83/367395683.db2.gz AGUDDUUAWRKOGX-UHFFFAOYSA-N -1 0 290.706 2.363 50 0 CEAARM O=C([O-])c1ccc(Cn2cc(Br)cn2)cc1 ZINC000169617101 367369164 /nfs/dbraw/zinc/36/91/64/367369164.db2.gz XEVVSARAJARMBB-UHFFFAOYSA-N -1 0 281.109 2.392 50 0 CEAARM CC(C)c1ncc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)[nH]1 ZINC000170047912 367374073 /nfs/dbraw/zinc/37/40/73/367374073.db2.gz CAVOONDCPIRKBX-GFCCVEGCSA-N -1 0 287.319 2.089 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC(F)(F)F ZINC000022150223 304140895 /nfs/dbraw/zinc/14/08/95/304140895.db2.gz WRGRGCHVFNVGRG-CIUDSAMLSA-N -1 0 279.258 2.183 50 0 CEAARM Cc1nc(=NC(=O)c2cnc(C(C)(C)C)s2)s[n-]1 ZINC000330919751 203390574 /nfs/dbraw/zinc/39/05/74/203390574.db2.gz OIISVJBSRAYDOU-UHFFFAOYSA-N -1 0 282.394 2.275 50 0 CEAARM Cc1nc(CNC(=O)c2ccc(F)cc2Cl)cc(=O)[nH]1 ZINC000222793400 370257352 /nfs/dbraw/zinc/25/73/52/370257352.db2.gz WGCVBMFUYAYGTC-UHFFFAOYSA-N -1 0 295.701 2.213 50 0 CEAARM CCc1nc(CNC(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC000225458522 370296866 /nfs/dbraw/zinc/29/68/66/370296866.db2.gz PVKWJUHRYVWKPX-UHFFFAOYSA-N -1 0 290.344 2.334 50 0 CEAARM CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000237155020 189865818 /nfs/dbraw/zinc/86/58/18/189865818.db2.gz 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304191618 /nfs/dbraw/zinc/19/16/18/304191618.db2.gz XTFQHFUUKOFOAN-GZMMTYOYSA-N -1 0 297.401 2.012 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000262428950 190055205 /nfs/dbraw/zinc/05/52/05/190055205.db2.gz RQUZOSLSQVUARR-GHMZBOCLSA-N -1 0 279.723 2.166 50 0 CEAARM Cc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c(O)c1 ZINC000262792344 190062770 /nfs/dbraw/zinc/06/27/70/190062770.db2.gz KZMVZSVRNMWLSZ-GFCCVEGCSA-N -1 0 289.331 2.028 50 0 CEAARM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])O1 ZINC000263579422 190069523 /nfs/dbraw/zinc/06/95/23/190069523.db2.gz URIQTDDQNYUBCB-RULNRJAQSA-N -1 0 277.320 2.066 50 0 CEAARM CCN(CCSc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000426550675 377416701 /nfs/dbraw/zinc/41/67/01/377416701.db2.gz SHVMJTRYXDAJPV-LLVKDONJSA-N -1 0 296.392 2.283 50 0 CEAARM C[C@@H](Oc1cccc(/C=C/c2ccncn2)c1)C(=O)[O-] ZINC000346917197 218058421 /nfs/dbraw/zinc/05/84/21/218058421.db2.gz KCCGAEWKRGCJFC-MVIFTORASA-N -1 0 270.288 2.499 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC000299744060 379124890 /nfs/dbraw/zinc/12/48/90/379124890.db2.gz QPJAEEDSKSLARM-RAIGVLPGSA-N -1 0 293.750 2.377 50 0 CEAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCCCc3ccccc3)C[C@@H]21 ZINC000299793267 379140077 /nfs/dbraw/zinc/14/00/77/379140077.db2.gz HWJBNGLUJUYALR-FOLVSLTJSA-N -1 0 287.359 2.188 50 0 CEAARM Cc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1C ZINC000268895650 190448183 /nfs/dbraw/zinc/44/81/83/190448183.db2.gz KJDHCJUEENKTOJ-CYZMBNFOSA-N -1 0 261.321 2.201 50 0 CEAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018240377 304246284 /nfs/dbraw/zinc/24/62/84/304246284.db2.gz RSEYMRJJAWZXRG-TXEJJXNPSA-N -1 0 273.288 2.064 50 0 CEAARM CC(C)(C)OC(=O)NCCCCSCC(=O)[O-] ZINC000107831370 542373856 /nfs/dbraw/zinc/37/38/56/542373856.db2.gz AKMVZHVOVHMBMY-UHFFFAOYSA-N -1 0 263.359 2.109 50 0 CEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(C)cc1 ZINC000006658302 285169409 /nfs/dbraw/zinc/16/94/09/285169409.db2.gz NYSYCGLAGQIEDC-GXTWGEPZSA-N -1 0 261.321 2.379 50 0 CEAARM O=C([O-])c1cn2ccnc(-c3ccc(F)cc3)c2n1 ZINC000169676708 304274652 /nfs/dbraw/zinc/27/46/52/304274652.db2.gz IIFOZHPVCPVFFQ-UHFFFAOYSA-N -1 0 257.224 2.234 50 0 CEAARM CC(C)CCOc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000001230191 169692121 /nfs/dbraw/zinc/69/21/21/169692121.db2.gz GFKMTQDBLZAYAR-UHFFFAOYSA-N -1 0 279.336 2.316 50 0 CEAARM CC(C)(C)c1cc(=O)n2nc(C(F)(F)F)[n-]c2n1 ZINC000018240869 394468618 /nfs/dbraw/zinc/46/86/18/394468618.db2.gz GGPHGHLAXBEZLB-UHFFFAOYSA-N -1 0 260.219 2.146 50 0 CEAARM Cc1nc2cc(C(=O)[O-])ccn2c1C(=O)OC(C)(C)C ZINC000072233571 394597706 /nfs/dbraw/zinc/59/77/06/394597706.db2.gz PBQOUKHBEAMQFJ-UHFFFAOYSA-N -1 0 276.292 2.296 50 0 CEAARM Cc1c(C(=O)N2CC[C@H]2C(=O)[O-])[nH]c2c1c(C)ccc2C ZINC000095530933 394673664 /nfs/dbraw/zinc/67/36/64/394673664.db2.gz QHMDGOITZJIGTC-NSHDSACASA-N -1 0 286.331 2.392 50 0 CEAARM CCn1ccnc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000215762623 400305490 /nfs/dbraw/zinc/30/54/90/400305490.db2.gz NOXTVZLDVPWFAE-UHFFFAOYSA-N -1 0 273.336 2.233 50 0 CEAARM O=C([O-])[C@@H](CC1CC1)NC(=O)Cc1c[nH]c2ccccc12 ZINC000261685047 153810129 /nfs/dbraw/zinc/81/01/29/153810129.db2.gz MVYCJIVJMCMXJU-CQSZACIVSA-N -1 0 286.331 2.080 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(OC(F)F)cc1)C1CC1 ZINC000262578195 153961587 /nfs/dbraw/zinc/96/15/87/153961587.db2.gz DYVLFLPBRHVZCH-QMMMGPOBSA-N -1 0 299.273 2.366 50 0 CEAARM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C(F)(F)F ZINC000263217510 154034274 /nfs/dbraw/zinc/03/42/74/154034274.db2.gz XUZHSFUPMUOUSX-RKDXNWHRSA-N -1 0 281.274 2.288 50 0 CEAARM CC(C)[C@@H](NC(=O)C1CCC(F)(F)CC1)C(=O)[O-] ZINC000179233672 165271425 /nfs/dbraw/zinc/27/14/25/165271425.db2.gz LFTPSHSIWBVMPW-SECBINFHSA-N -1 0 263.284 2.037 50 0 CEAARM Nc1ccc(/C(=C\c2ccccc2N)C(=O)[O-])cc1 ZINC000003845531 169915374 /nfs/dbraw/zinc/91/53/74/169915374.db2.gz DDYPCFVOYMWXCZ-UKTHLTGXSA-N -1 0 254.289 2.476 50 0 CEAARM CCOC(=O)N[C@H](CC(=O)[O-])c1ccc(OCC)cc1 ZINC000004101958 169931899 /nfs/dbraw/zinc/93/18/99/169931899.db2.gz OCTNDBSGMSWZKY-GFCCVEGCSA-N -1 0 281.308 2.347 50 0 CEAARM CC(C)[C@H]1SC[C@H](C(=O)[O-])N1C(=O)c1cccc(F)c1 ZINC000004795984 170018436 /nfs/dbraw/zinc/01/84/36/170018436.db2.gz PRFPTTRRRNIODV-DGCLKSJQSA-N -1 0 297.351 2.450 50 0 CEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000004884923 170036146 /nfs/dbraw/zinc/03/61/46/170036146.db2.gz FOYRHQBPNSOMTO-UHFFFAOYSA-N -1 0 293.392 2.455 50 0 CEAARM CC(C)CCn1c2ccccc2nc1S(=O)(=O)[O-] ZINC000006143005 170179284 /nfs/dbraw/zinc/17/92/84/170179284.db2.gz GMFUJBCDPRSFMV-UHFFFAOYSA-N -1 0 268.338 2.329 50 0 CEAARM Cc1cc(C)nc(SCc2cc(=O)[nH]c(=S)[nH]2)n1 ZINC000006493748 170206807 /nfs/dbraw/zinc/20/68/07/170206807.db2.gz VOKJIJUHTASVBM-UHFFFAOYSA-N -1 0 280.378 2.170 50 0 CEAARM O=C([O-])CCCc1nc(-c2ccc(F)cc2)no1 ZINC000006674404 170225314 /nfs/dbraw/zinc/22/53/14/170225314.db2.gz ADZWCBJOLPWMPT-UHFFFAOYSA-N -1 0 250.229 2.283 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000006746560 170239526 /nfs/dbraw/zinc/23/95/26/170239526.db2.gz DYBRKHWRMFWZFQ-JTQLQIEISA-N -1 0 268.700 2.421 50 0 CEAARM O=C([O-])Cn1c2ccccc2nc1-c1cncs1 ZINC000008436666 170336503 /nfs/dbraw/zinc/33/65/03/170336503.db2.gz GYXHTARTOYXEEP-UHFFFAOYSA-N -1 0 259.290 2.244 50 0 CEAARM Cc1ccc(Cl)cc1Nc1nc(=O)c(C)n[n-]1 ZINC000008766987 170354925 /nfs/dbraw/zinc/35/49/25/170354925.db2.gz QARCSJYUMWLZSA-UHFFFAOYSA-N -1 0 250.689 2.179 50 0 CEAARM O=C([O-])CCNC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009575803 170381804 /nfs/dbraw/zinc/38/18/04/170381804.db2.gz GVVOQHUWTIKSND-UHFFFAOYSA-N -1 0 290.363 2.125 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000015989068 170684673 /nfs/dbraw/zinc/68/46/73/170684673.db2.gz MYYQPSOBPGLTMO-JOYOIKCWSA-N -1 0 280.324 2.316 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000019511760 170820425 /nfs/dbraw/zinc/82/04/25/170820425.db2.gz SWNNOFCHSWFUPT-BRAIEQGRSA-N -1 0 265.334 2.085 50 0 CEAARM COc1ccc(C(=O)[O-])cc1NC(=O)c1cccnc1 ZINC000020143440 171029079 /nfs/dbraw/zinc/02/90/79/171029079.db2.gz NEIAFYZFAIDVCN-UHFFFAOYSA-N -1 0 272.260 2.041 50 0 CEAARM Cc1c2ccccc2nc(Cn2cccn2)c1C(=O)[O-] ZINC000020282232 171132715 /nfs/dbraw/zinc/13/27/15/171132715.db2.gz BTNFSBWKXZCRAA-UHFFFAOYSA-N -1 0 267.288 2.486 50 0 CEAARM O=C([O-])[C@H]1CS[C@@H](c2cc(Br)cs2)N1 ZINC000020475010 171218986 /nfs/dbraw/zinc/21/89/86/171218986.db2.gz UUHOYZPWRRQJGO-VDTYLAMSSA-N -1 0 294.195 2.299 50 0 CEAARM Cc1ccc(Cl)cc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020614691 171267882 /nfs/dbraw/zinc/26/78/82/171267882.db2.gz TZYYAHFZEGEYEY-UHFFFAOYSA-N -1 0 293.710 2.332 50 0 CEAARM Cc1ccc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022159116 171363541 /nfs/dbraw/zinc/36/35/41/171363541.db2.gz WHPNWWJUPOMEEQ-UHFFFAOYSA-N -1 0 294.332 2.131 50 0 CEAARM Cc1ccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033439492 171797861 /nfs/dbraw/zinc/79/78/61/171797861.db2.gz VLBQCNCCICSIBT-ZDUSSCGKSA-N -1 0 261.321 2.003 50 0 CEAARM O=C([O-])[C@@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000035297069 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O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000037517367 260113701 /nfs/dbraw/zinc/11/37/01/260113701.db2.gz YMGHHZVRIOHUOF-UWVGGRQHSA-N -1 0 287.237 2.042 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000019981972 260115654 /nfs/dbraw/zinc/11/56/54/260115654.db2.gz WCQLXRAKIDQDJX-QMMMGPOBSA-N -1 0 284.262 2.293 50 0 CEAARM COC[C@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000004864638 277259534 /nfs/dbraw/zinc/25/95/34/277259534.db2.gz LEISBXJTHKRKIZ-QMMMGPOBSA-N -1 0 250.323 2.266 50 0 CEAARM CC(=O)N[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000111060728 278182550 /nfs/dbraw/zinc/18/25/50/278182550.db2.gz HYCRVBWTHPUTOM-NSHDSACASA-N -1 0 276.119 2.429 50 0 CEAARM CC(=O)n1cc2c3c1cccc3C(=O)C[C@@H]2C(=O)[O-] ZINC000071772671 278254231 /nfs/dbraw/zinc/25/42/31/278254231.db2.gz FLMYQOPVLSKLBZ-VIFPVBQESA-N -1 0 257.245 2.056 50 0 CEAARM CC(C)C[C@H](NC(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000426613681 279190890 /nfs/dbraw/zinc/19/08/90/279190890.db2.gz USUGBVMXFPUFBE-ZDUSSCGKSA-N -1 0 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Cc1nc(C)c(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])o1 ZINC000120184289 302571780 /nfs/dbraw/zinc/57/17/80/302571780.db2.gz IDNPTKVAUQHWSH-MNOVXSKESA-N -1 0 280.324 2.055 50 0 CEAARM Nc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000000225961 303493853 /nfs/dbraw/zinc/49/38/53/303493853.db2.gz CIGFTMGSDQZKKZ-UHFFFAOYSA-N -1 0 256.261 2.219 50 0 CEAARM Cc1cccc(C(=O)/N=c2\[n-]ncn2-c2ccccc2)c1F ZINC000097231021 321694586 /nfs/dbraw/zinc/69/45/86/321694586.db2.gz KYDXFMQXXYWRQJ-UHFFFAOYSA-N -1 0 296.305 2.389 50 0 CEAARM C[C@@](NC(=O)CCc1ccsc1)(C(=O)[O-])C1CC1 ZINC000096494269 534259837 /nfs/dbraw/zinc/25/98/37/534259837.db2.gz XCVIWTFITRSPJF-ZDUSSCGKSA-N -1 0 267.350 2.050 50 0 CEAARM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCS2)s1 ZINC000150316397 526362111 /nfs/dbraw/zinc/36/21/11/526362111.db2.gz AUCYPUWHQLZVIC-SSDOTTSWSA-N -1 0 271.363 2.072 50 0 CEAARM O=C([O-])C1(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000050290217 527553618 /nfs/dbraw/zinc/55/36/18/527553618.db2.gz HQTLSZYOOATOMW-UHFFFAOYSA-N -1 0 271.219 2.091 50 0 CEAARM O=C([O-])CCC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000050922420 527573174 /nfs/dbraw/zinc/57/31/74/527573174.db2.gz CDDNJFCXVGZNQZ-ZDUSSCGKSA-N -1 0 265.353 2.446 50 0 CEAARM CCOc1cccc([N-]S(=O)(=O)c2cccs2)n1 ZINC000096448173 528675038 /nfs/dbraw/zinc/67/50/38/528675038.db2.gz JYFGTCAODKQPFV-UHFFFAOYSA-N -1 0 284.362 2.343 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)C[C@@H](C)n1cccc1)C(=O)[O-] ZINC000096479980 529251765 /nfs/dbraw/zinc/25/17/65/529251765.db2.gz GNHLVMWNWQIUOM-LOWVWBTDSA-N -1 0 266.341 2.055 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC000756955666 574825368 /nfs/dbraw/zinc/82/53/68/574825368.db2.gz HRJCIEFJXLSHGT-HNNXBMFYSA-N -1 0 299.367 2.003 50 0 CEAARM Cc1nc2ccccc2cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178268252 597498502 /nfs/dbraw/zinc/49/85/02/597498502.db2.gz UUGVQHRYVPPGEC-LBPRGKRZSA-N -1 0 284.315 2.090 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000584908392 601254000 /nfs/dbraw/zinc/25/40/00/601254000.db2.gz MHTSBSRVMIPCPG-ZNMIVQPWSA-N -1 0 285.343 2.071 50 0 CEAARM CCOc1cc2c(cc1/C=C(/C#N)C(=O)[O-])O[C@@H](C)C2 ZINC000096662850 628916030 /nfs/dbraw/zinc/91/60/30/628916030.db2.gz RQGLFBOPIQIPAE-IWKZGAEBSA-N -1 0 273.288 2.400 50 0 CEAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000179397660 634279698 /nfs/dbraw/zinc/27/96/98/634279698.db2.gz VXXUMPCNMOHJJG-QPJJXVBHSA-N -1 0 289.303 2.044 50 0 CEAARM COCc1nc(N[C@H]2CCc3ccccc32)ncc1C(=O)[O-] ZINC000169751220 639634069 /nfs/dbraw/zinc/63/40/69/639634069.db2.gz OLGIZSOWMLTTBN-ZDUSSCGKSA-N -1 0 299.330 2.421 50 0 CEAARM Cc1cccnc1CN(C)Cc1cccc(C(=O)[O-])n1 ZINC000097743561 230387443 /nfs/dbraw/zinc/38/74/43/230387443.db2.gz HFGKZIVSNOTIJT-UHFFFAOYSA-N -1 0 271.320 2.115 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c(C)s1 ZINC000095940210 185036382 /nfs/dbraw/zinc/03/63/82/185036382.db2.gz KCEOJCYDLARYLE-UHFFFAOYSA-N -1 0 299.377 2.426 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1F ZINC000095969505 185048220 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ZINC000036974835 361877107 /nfs/dbraw/zinc/87/71/07/361877107.db2.gz ZPYYKGHUTWWQBB-CQSZACIVSA-N -1 0 291.347 2.094 50 0 CEAARM Cc1cc(C)nc(NCc2cccc(C(=O)[O-])c2)n1 ZINC000037716828 361923844 /nfs/dbraw/zinc/92/38/44/361923844.db2.gz AVNDYXRFXCXICQ-UHFFFAOYSA-N -1 0 257.293 2.404 50 0 CEAARM Cc1cccc(C[C@H](CNC(=O)c2ccoc2)C(=O)[O-])c1 ZINC000097018779 185153057 /nfs/dbraw/zinc/15/30/57/185153057.db2.gz WHLUFXLJIBIYAS-CQSZACIVSA-N -1 0 287.315 2.261 50 0 CEAARM CCC[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1F ZINC000097022265 185153749 /nfs/dbraw/zinc/15/37/49/185153749.db2.gz QBNPMXHDXQZFKU-NSHDSACASA-N -1 0 267.300 2.128 50 0 CEAARM C[C@]1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CC=CCC1 ZINC000621539645 349628413 /nfs/dbraw/zinc/62/84/13/349628413.db2.gz UCKVXHVXXNFHID-INIZCTEOSA-N -1 0 289.331 2.379 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000097035571 185166182 /nfs/dbraw/zinc/16/61/82/185166182.db2.gz YEUKQCIJTLUZFM-NXEZZACHSA-N -1 0 283.274 2.001 50 0 CEAARM CCCCC[C@H](NC(=O)c1ccoc1C)C(=O)[O-] ZINC000097036375 185166473 /nfs/dbraw/zinc/16/64/73/185166473.db2.gz JAGZSEARHMZCHI-NSHDSACASA-N -1 0 253.298 2.351 50 0 CEAARM CC(C)Cc1c(Cl)nc2ccc(C(=O)[O-])cn2c1=O ZINC000725244587 539191438 /nfs/dbraw/zinc/19/14/38/539191438.db2.gz KCKKEVPXHBYSEN-UHFFFAOYSA-N -1 0 280.711 2.245 50 0 CEAARM COc1cc(OC)cc(C(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000043214314 362139797 /nfs/dbraw/zinc/13/97/97/362139797.db2.gz HTCXCBXAOKPXSZ-SECBINFHSA-N -1 0 266.293 2.387 50 0 CEAARM COc1cc(C(=O)C[C@@H](C)CC(=O)[O-])cc(OC)c1OC ZINC000043214277 362140000 /nfs/dbraw/zinc/14/00/00/362140000.db2.gz SLJQUNAKJDHQTQ-SECBINFHSA-N -1 0 296.319 2.396 50 0 CEAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c2ccccc12 ZINC000019877841 343374957 /nfs/dbraw/zinc/37/49/57/343374957.db2.gz MCJJHFSLPITJHU-BBRMVZONSA-N -1 0 299.326 2.452 50 0 CEAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)c1C ZINC000101399089 344248384 /nfs/dbraw/zinc/24/83/84/344248384.db2.gz ZPTDCBNVZLKREW-UHFFFAOYSA-N -1 0 297.362 2.263 50 0 CEAARM CCC(=O)C1=C([O-])[C@@H](c2cc(C)no2)C(C)(C)CC1=O ZINC000102785154 344251677 /nfs/dbraw/zinc/25/16/77/344251677.db2.gz YNZPZAVFSMVKPA-QWHCGFSZSA-N -1 0 277.320 2.230 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1c(F)cccc1F ZINC000128591285 344337177 /nfs/dbraw/zinc/33/71/77/344337177.db2.gz WRCSIYNVFYHEIP-ZDUSSCGKSA-N -1 0 297.301 2.363 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccccc1 ZINC000050921311 362423611 /nfs/dbraw/zinc/42/36/11/362423611.db2.gz UQBCSZCBUPRUSR-CQSZACIVSA-N -1 0 275.348 2.475 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC000050921242 362423983 /nfs/dbraw/zinc/42/39/83/362423983.db2.gz FDJWWEDTOYPLSK-NSHDSACASA-N -1 0 251.282 2.139 50 0 CEAARM Cc1ccc(F)c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000052980864 362477210 /nfs/dbraw/zinc/47/72/10/362477210.db2.gz CCJUJCNOPPFYNK-UHFFFAOYSA-N -1 0 253.273 2.071 50 0 CEAARM C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000136525630 295722919 /nfs/dbraw/zinc/72/29/19/295722919.db2.gz 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ZINC000067947933 362933236 /nfs/dbraw/zinc/93/32/36/362933236.db2.gz XWDFSACQYDKJOK-UHFFFAOYSA-N -1 0 280.287 2.215 50 0 CEAARM O=C([N-]c1ccon1)c1cc(OCc2ccccc2)no1 ZINC000090726461 180032612 /nfs/dbraw/zinc/03/26/12/180032612.db2.gz RZOCOHUBSOLKRR-UHFFFAOYSA-N -1 0 285.259 2.494 50 0 CEAARM CC(C)Oc1c([S-])cnn(-c2ccccc2)c1=O ZINC000104973167 186036861 /nfs/dbraw/zinc/03/68/61/186036861.db2.gz XUTUHLSYOTVJQU-UHFFFAOYSA-N -1 0 262.334 2.308 50 0 CEAARM COc1ccccc1CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108654480 186225612 /nfs/dbraw/zinc/22/56/12/186225612.db2.gz NQSAGQSLOAZVME-VXGBXAGGSA-N -1 0 291.347 2.202 50 0 CEAARM Cc1ccc(CC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000110301896 186290181 /nfs/dbraw/zinc/29/01/81/186290181.db2.gz LOKINFDUYWRLEQ-UHFFFAOYSA-N -1 0 275.348 2.251 50 0 CEAARM COC1CC(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)C1 ZINC000630162873 351644993 /nfs/dbraw/zinc/64/49/93/351644993.db2.gz QKDSQVZMIHFQTB-JKDOVBDQSA-N -1 0 291.347 2.313 50 0 CEAARM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(=O)[O-])cn1 ZINC000630298400 351687013 /nfs/dbraw/zinc/68/70/13/351687013.db2.gz VPJQVFNPYFBYHT-QMMMGPOBSA-N -1 0 290.241 2.241 50 0 CEAARM COCCn1cc(-c2ccc(C(=O)[O-])cc2C)cn1 ZINC000630573830 351789405 /nfs/dbraw/zinc/78/94/05/351789405.db2.gz AFCMDBLOSLUILN-UHFFFAOYSA-N -1 0 260.293 2.203 50 0 CEAARM CCC[C@@H](NC(=O)c1cccc(C)c1Cl)c1nnn[n-]1 ZINC000123130497 187072991 /nfs/dbraw/zinc/07/29/91/187072991.db2.gz RBKALWUGZMKFOP-SNVBAGLBSA-N -1 0 293.758 2.433 50 0 CEAARM O=C([O-])Cn1ccc(NC(=O)C2(c3ccccc3)CCC2)n1 ZINC000122804563 187052758 /nfs/dbraw/zinc/05/27/58/187052758.db2.gz MVSBTNRCDNNGNW-UHFFFAOYSA-N -1 0 299.330 2.028 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCOCc1ccccc1 ZINC000136469654 187879879 /nfs/dbraw/zinc/87/98/79/187879879.db2.gz UDKHBIIEIHKMIN-CQSZACIVSA-N -1 0 291.347 2.059 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1Cl ZINC000159867098 188445733 /nfs/dbraw/zinc/44/57/33/188445733.db2.gz GZKFXSVXPXXZHA-LBPRGKRZSA-N -1 0 299.729 2.487 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)c2ccccc21 ZINC000132002797 366108694 /nfs/dbraw/zinc/10/86/94/366108694.db2.gz UKUXBPQBAMGJGM-SNVBAGLBSA-N -1 0 290.706 2.497 50 0 CEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000097035514 304065468 /nfs/dbraw/zinc/06/54/68/304065468.db2.gz RSYLMEFOLBLVGM-GHMZBOCLSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])C[C@H]1CC(=O)Oc2cccc(Br)c21 ZINC000074937914 304082507 /nfs/dbraw/zinc/08/25/07/304082507.db2.gz BATNSUNQCYYYJI-LURJTMIESA-N -1 0 285.093 2.317 50 0 CEAARM CCCn1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cn1 ZINC000191210375 540488221 /nfs/dbraw/zinc/48/82/21/540488221.db2.gz JSDIVTBVLLQZDD-LBPRGKRZSA-N -1 0 293.367 2.010 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000236959538 370666136 /nfs/dbraw/zinc/66/61/36/370666136.db2.gz QPJDOYNGWVEDGU-MNOVXSKESA-N -1 0 283.274 2.001 50 0 CEAARM O=C([O-])Cc1ncc(Br)cc1C(F)(F)F ZINC000095930019 304090416 /nfs/dbraw/zinc/09/04/16/304090416.db2.gz 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/nfs/dbraw/zinc/15/67/61/361156761.db2.gz OJNUJVDZJSIQQK-UHFFFAOYSA-N -1 0 261.233 2.244 50 0 CEAARM COc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000306467 361158990 /nfs/dbraw/zinc/15/89/90/361158990.db2.gz IJVLENARSSQFSI-OLZOCXBDSA-N -1 0 291.347 2.202 50 0 CEAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000000053374 361122532 /nfs/dbraw/zinc/12/25/32/361122532.db2.gz OWTMVNXTSRLIBJ-UHFFFAOYSA-N -1 0 282.752 2.266 50 0 CEAARM O=C([O-])C[C@H](CC(=O)Nc1nncs1)c1ccccc1 ZINC000000802045 361192154 /nfs/dbraw/zinc/19/21/54/361192154.db2.gz YGDQIDGTLSPHRA-JTQLQIEISA-N -1 0 291.332 2.125 50 0 CEAARM CC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000002750215 361247429 /nfs/dbraw/zinc/24/74/29/361247429.db2.gz KUTQRPSOIXBGBT-ZIAGYGMSSA-N -1 0 287.315 2.495 50 0 CEAARM COc1cccc(NC(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000002367235 361233080 /nfs/dbraw/zinc/23/30/80/361233080.db2.gz DFGWUSYPMUKIGE-NSHDSACASA-N -1 0 298.364 2.023 50 0 CEAARM Cc1oc(CC(C)C)cc1C(=O)NCCCC(=O)[O-] ZINC000002469689 361235332 /nfs/dbraw/zinc/23/53/32/361235332.db2.gz KHYNXPBEBPZZQP-UHFFFAOYSA-N -1 0 267.325 2.381 50 0 CEAARM COc1ccc(C(=O)CCCC(=O)[O-])cc1OC ZINC000002575267 361241383 /nfs/dbraw/zinc/24/13/83/361241383.db2.gz VCPFAIMGNLXMPO-UHFFFAOYSA-N -1 0 252.266 2.141 50 0 CEAARM CCCCCn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003324550 361274700 /nfs/dbraw/zinc/27/47/00/361274700.db2.gz QNAOZDDPIAUCHN-UHFFFAOYSA-N -1 0 260.293 2.285 50 0 CEAARM O=C1C=C([O-])C=C2OC(c3ccc(O)cc3)C(=O)C(O)=C12 ZINC000003869768 361291420 /nfs/dbraw/zinc/29/14/20/361291420.db2.gz IYRMWMYZSQPJKC-UHFFFAOYSA-N -1 0 286.239 2.282 50 0 aggregator,endogenous,in-man CEAARM O=C(c1ccccc1)[C@H]1CCCC[C@H]1S(=O)(=O)[O-] ZINC000002924361 361258461 /nfs/dbraw/zinc/25/84/61/361258461.db2.gz RWFMTWAQMCUUHN-NWDGAFQWSA-N -1 0 268.334 2.316 50 0 CEAARM COc1ccc([C@@]2(C)OC(=O)C=C([O-])C2(C)C)cc1OC ZINC000004029041 361297146 /nfs/dbraw/zinc/29/71/46/361297146.db2.gz SGEFBHQHNFGPJR-MRXNPFEDSA-N -1 0 292.331 2.461 50 0 CEAARM O=C([O-])CCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000004325187 361312105 /nfs/dbraw/zinc/31/21/05/361312105.db2.gz BFSKGGPVYOCGLR-CYBMUJFWSA-N -1 0 261.321 2.435 50 0 CEAARM CCOCCC1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCCC1 ZINC000237037012 370681650 /nfs/dbraw/zinc/68/16/50/370681650.db2.gz SNOYNVWTSNVPMW-ZDUSSCGKSA-N -1 0 297.395 2.297 50 0 CEAARM CCn1c(Cc2ccccc2)nnc1SCCC(=O)[O-] ZINC000004556351 361321945 /nfs/dbraw/zinc/32/19/45/361321945.db2.gz GWTJUENQZJMEEN-UHFFFAOYSA-N -1 0 291.376 2.456 50 0 CEAARM CCc1cc(C)c(C(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000237125048 370691956 /nfs/dbraw/zinc/69/19/56/370691956.db2.gz MMOZCZHAJGRRBC-UHFFFAOYSA-N -1 0 265.309 2.087 50 0 CEAARM CCc1cc(C)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000237125513 370692105 /nfs/dbraw/zinc/69/21/05/370692105.db2.gz JQGOGGZQAPLWMQ-CQSZACIVSA-N -1 0 265.309 2.087 50 0 CEAARM O=c1[n-]c(Nc2ccc(O)cc2)nnc1-c1ccccc1 ZINC000011905821 361368582 /nfs/dbraw/zinc/36/85/82/361368582.db2.gz RORIRZYDANQFSP-UHFFFAOYSA-N -1 0 280.287 2.281 50 0 CEAARM O=C([O-])CC1=CSc2nnc(C3CCCCC3)n2N1 ZINC000011729758 361362282 /nfs/dbraw/zinc/36/22/82/361362282.db2.gz FJLBUUXNDDTHSF-UHFFFAOYSA-N -1 0 280.353 2.110 50 0 CEAARM O=C([O-])c1csc(NC(=O)c2ccccc2F)n1 ZINC000011919914 361368452 /nfs/dbraw/zinc/36/84/52/361368452.db2.gz NVTQFNVHCUNDOO-UHFFFAOYSA-N -1 0 266.253 2.233 50 0 CEAARM CC(C)Cc1nn(C)c(C(=O)[O-])c1Br ZINC000014985192 361463525 /nfs/dbraw/zinc/46/35/25/361463525.db2.gz LNSXSLVRAARNQC-UHFFFAOYSA-N -1 0 261.119 2.079 50 0 CEAARM CCOc1ccc(Cc2nnc(SC)[n-]c2=O)cc1 ZINC000016777459 361498535 /nfs/dbraw/zinc/49/85/35/361498535.db2.gz KQOFYAXRLBXTCV-UHFFFAOYSA-N -1 0 277.349 2.289 50 0 CEAARM O=c1c2ccccc2[n-]c(=S)n1CCc1c[nH]cn1 ZINC000018088203 361513971 /nfs/dbraw/zinc/51/39/71/361513971.db2.gz YHXXLYGNNYTJAF-UHFFFAOYSA-N -1 0 272.333 2.025 50 0 CEAARM Cc1cccc(C(=O)N(C)c2ccccc2C(=O)[O-])n1 ZINC000019255742 361523498 /nfs/dbraw/zinc/52/34/98/361523498.db2.gz RUXUOIPJKXRZSC-UHFFFAOYSA-N -1 0 270.288 2.365 50 0 CEAARM 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/nfs/dbraw/zinc/54/81/73/170548173.db2.gz BDAHPENUIZTSGP-QPJJXVBHSA-N -1 0 251.307 2.086 50 0 CEAARM O=C([O-])c1ccc(CCNC(=O)c2ccccc2F)cc1 ZINC000013442510 170550546 /nfs/dbraw/zinc/55/05/46/170550546.db2.gz HBBBUZDDMOAKEW-UHFFFAOYSA-N -1 0 287.290 2.496 50 0 CEAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927649 171337757 /nfs/dbraw/zinc/33/77/57/171337757.db2.gz PTHOLBGJKZAAML-UHFFFAOYSA-N -1 0 279.365 2.092 50 0 CEAARM CCc1ccccc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000021940681 171337862 /nfs/dbraw/zinc/33/78/62/171337862.db2.gz CCHJLDKXOSHGTQ-UHFFFAOYSA-N -1 0 279.365 2.092 50 0 CEAARM CCOC(=O)c1nc2ccc(Br)cc2c(=O)[n-]1 ZINC000021953437 171340529 /nfs/dbraw/zinc/34/05/29/171340529.db2.gz FBXFISPUBFVIJK-UHFFFAOYSA-N -1 0 297.108 2.275 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000022013810 171349326 /nfs/dbraw/zinc/34/93/26/171349326.db2.gz WDICICLPVPLNHO-CHWSQXEVSA-N -1 0 291.347 2.379 50 0 CEAARM COc1ccc(C(=O)[O-])cc1COCC(F)(F)F ZINC000034925028 171894168 /nfs/dbraw/zinc/89/41/68/171894168.db2.gz AFVRXFYNQVQUBW-UHFFFAOYSA-N -1 0 264.199 2.472 50 0 CEAARM O=C([O-])C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000035300309 172114319 /nfs/dbraw/zinc/11/43/19/172114319.db2.gz SYHFAJAAXQRPNZ-UHFFFAOYSA-N -1 0 287.319 2.033 50 0 CEAARM CC1CCC(NC(=O)Cc2cccs2)(C(=O)[O-])CC1 ZINC000037366683 173155810 /nfs/dbraw/zinc/15/58/10/173155810.db2.gz JFLIHFSQMUBPQR-UHFFFAOYSA-N -1 0 281.377 2.440 50 0 CEAARM CCc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000037410467 173187109 /nfs/dbraw/zinc/18/71/09/173187109.db2.gz HIOUKZGUFOUYED-CQSZACIVSA-N -1 0 275.348 2.257 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000037436307 173207468 /nfs/dbraw/zinc/20/74/68/173207468.db2.gz CNOYAIOXQDBCNU-JTQLQIEISA-N -1 0 267.350 2.302 50 0 CEAARM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1(C)C ZINC000122688945 414790818 /nfs/dbraw/zinc/79/08/18/414790818.db2.gz QYTAQTVXZQJHSV-ZWNOBZJWSA-N -1 0 291.351 2.145 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000122924587 414792682 /nfs/dbraw/zinc/79/26/82/414792682.db2.gz VRGSBFQBYDYVBR-QWHCGFSZSA-N -1 0 299.330 2.018 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000043583734 175070342 /nfs/dbraw/zinc/07/03/42/175070342.db2.gz HYZDAGUJKGULOR-OLZOCXBDSA-N -1 0 265.353 2.446 50 0 CEAARM Cc1cc([C@@H](C)NC(=O)C2(C(=O)[O-])CC2)c(C)s1 ZINC000050292082 175514774 /nfs/dbraw/zinc/51/47/74/175514774.db2.gz DXDOCKKOJBCINW-MRVPVSSYSA-N -1 0 267.350 2.407 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000062117559 175663618 /nfs/dbraw/zinc/66/36/18/175663618.db2.gz UVQQFVUKHXAXEZ-GQOHGMTASA-N -1 0 279.723 2.286 50 0 CEAARM COC[C@H](C)Nc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000070442280 175934464 /nfs/dbraw/zinc/93/44/64/175934464.db2.gz HVKKCPOQVDWZBA-LURJTMIESA-N -1 0 281.337 2.145 50 0 CEAARM C[C@@H](CN(C(=O)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000071731553 176256619 /nfs/dbraw/zinc/25/66/19/176256619.db2.gz PPMQKLZGHCKEKH-VIFPVBQESA-N -1 0 265.284 2.151 50 0 CEAARM CC(C)c1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000072115881 176318771 /nfs/dbraw/zinc/31/87/71/176318771.db2.gz FNAGZPDCTZFPMN-BDAKNGLRSA-N -1 0 297.380 2.491 50 0 CEAARM COc1ccc(Nc2nc(C)cc(C(=O)[O-])n2)cc1 ZINC000072240756 176348521 /nfs/dbraw/zinc/34/85/21/176348521.db2.gz JTZDHSJTURJXJU-UHFFFAOYSA-N -1 0 259.265 2.235 50 0 CEAARM C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003865917 299042366 /nfs/dbraw/zinc/04/23/66/299042366.db2.gz CXHIRCRLTNKXRG-RXOVYUGGSA-N -1 0 265.353 2.182 50 0 CEAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC000003885340 260013635 /nfs/dbraw/zinc/01/36/35/260013635.db2.gz IRJQKCUTGSZFON-UHFFFAOYSA-N -1 0 278.333 2.078 50 0 CEAARM CCCCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000004663825 260015918 /nfs/dbraw/zinc/01/59/18/260015918.db2.gz LRRHNKUHMDOBBY-UHFFFAOYSA-N -1 0 288.347 2.083 50 0 CEAARM CC(=O)N[C@](C)(C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000057218522 278182554 /nfs/dbraw/zinc/18/25/54/278182554.db2.gz QYAZKNJZYGILFU-NSHDSACASA-N -1 0 275.226 2.141 50 0 CEAARM CC(C)(NC(=O)[C@H]1C[C@@]12CCCc1ccccc12)C(=O)[O-] ZINC000097035417 278631130 /nfs/dbraw/zinc/63/11/30/278631130.db2.gz UVVAGENCVBOFPP-CXAGYDPISA-N -1 0 287.359 2.260 50 0 CEAARM CC(C)C[C@H](CNC(=O)COC1CCCCC1)C(=O)[O-] ZINC000089802507 279147856 /nfs/dbraw/zinc/14/78/56/279147856.db2.gz PGWBAKBDIPKGEE-GFCCVEGCSA-N -1 0 285.384 2.199 50 0 CEAARM CC(C)[C@@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000004858066 279829286 /nfs/dbraw/zinc/82/92/86/279829286.db2.gz UVZMXRDDBSHVLB-SNVBAGLBSA-N -1 0 250.298 2.157 50 0 CEAARM CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000002513093 280003133 /nfs/dbraw/zinc/00/31/33/280003133.db2.gz RJUJMGVDZCVHQJ-VHSXEESVSA-N -1 0 257.330 2.210 50 0 CEAARM CCn1c(=O)c(Br)c([O-])c2ccccc21 ZINC000100293238 288673647 /nfs/dbraw/zinc/67/36/47/288673647.db2.gz KTZUQKATCZMDQQ-UHFFFAOYSA-N -1 0 268.110 2.490 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)c1cccc2cc[nH]c21 ZINC000088731335 298368710 /nfs/dbraw/zinc/36/87/10/298368710.db2.gz OVIARCNPQGRKHF-SECBINFHSA-N -1 0 260.293 2.151 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc(C)c1O ZINC000426722403 301089655 /nfs/dbraw/zinc/08/96/55/301089655.db2.gz IGEOONPPACSLSQ-CYBMUJFWSA-N -1 0 291.347 2.478 50 0 CEAARM Cc1cccc(N2c3ncccc3S(=O)(=O)[N-]C2=O)c1 ZINC000096511559 301999554 /nfs/dbraw/zinc/99/95/54/301999554.db2.gz TXUISCBNIVDFRM-UHFFFAOYSA-N -1 0 289.316 2.144 50 0 CEAARM CCCc1nc(=NCCCOC2CCCC2)[n-]o1 ZINC000534665394 328344769 /nfs/dbraw/zinc/34/47/69/328344769.db2.gz QYCPLHMIAMEDBL-UHFFFAOYSA-N -1 0 253.346 2.205 50 0 CEAARM O=C([O-])c1ccc(-c2ccc3nc(CO)[nH]c3c2)s1 ZINC000534669142 328346732 /nfs/dbraw/zinc/34/67/32/328346732.db2.gz XADLSAZTOJEYFP-UHFFFAOYSA-N -1 0 274.301 2.482 50 0 CEAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(c2cc(N)ncn2)C1 ZINC000091474282 535371672 /nfs/dbraw/zinc/37/16/72/535371672.db2.gz JVUUBQBCVZZJNC-OAHLLOKOSA-N -1 0 290.367 2.086 50 0 CEAARM CCOc1cccc(C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000262863239 535446995 /nfs/dbraw/zinc/44/69/95/535446995.db2.gz FIKKNRCHGXEQAR-LBPRGKRZSA-N -1 0 277.320 2.165 50 0 CEAARM C[C@@H]1CCC[C@@H](C(=O)NCc2nc(C(=O)[O-])cs2)C1 ZINC000124347368 187133826 /nfs/dbraw/zinc/13/38/26/187133826.db2.gz XAODQOAAOZMBPY-RKDXNWHRSA-N -1 0 282.365 2.284 50 0 CEAARM Cc1cc(C)c(C(=O)N[C@H](CC(C)C)C(=O)[O-])o1 ZINC000096479949 230380248 /nfs/dbraw/zinc/38/02/48/230380248.db2.gz JKKYXGFOEBYADP-SNVBAGLBSA-N -1 0 253.298 2.126 50 0 CEAARM CO[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004060316 230368025 /nfs/dbraw/zinc/36/80/25/230368025.db2.gz XXQCWXBYAJLHJW-MRVPVSSYSA-N -1 0 278.091 2.032 50 0 CEAARM Cc1cc(C(=O)N(CC(=O)[O-])C[C@@H]2CCCO2)c(C)s1 ZINC000095970199 185048775 /nfs/dbraw/zinc/04/87/75/185048775.db2.gz IGKLZHGNCQQIHG-NSHDSACASA-N -1 0 297.376 2.071 50 0 CEAARM [O-]c1c(Br)ccnc1Br ZINC000034327814 361788655 /nfs/dbraw/zinc/78/86/55/361788655.db2.gz SONCJGPRIRDRFC-UHFFFAOYSA-N -1 0 252.893 2.312 50 0 CEAARM CCC1(CC)C(=O)N[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000034459684 361790639 /nfs/dbraw/zinc/79/06/39/361790639.db2.gz UTLUYICMMIGEFD-ZDUSSCGKSA-N -1 0 263.293 2.026 50 0 CEAARM Cc1nnsc1C(=O)[N-]c1nnc(-c2cccs2)o1 ZINC000036646821 361849392 /nfs/dbraw/zinc/84/93/92/361849392.db2.gz UAMVLAFQNPLKBL-UHFFFAOYSA-N -1 0 293.333 2.210 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000036369843 361843991 /nfs/dbraw/zinc/84/39/91/361843991.db2.gz BKRGJRDPSWISLS-ABAIWWIYSA-N -1 0 288.347 2.257 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000036966226 361875723 /nfs/dbraw/zinc/87/57/23/361875723.db2.gz TVIXLMZTSWAKCN-ZCFIWIBFSA-N -1 0 259.714 2.091 50 0 CEAARM Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000036966282 361876141 /nfs/dbraw/zinc/87/61/41/361876141.db2.gz UKOGCRHNNYWVPE-MLRMMBSGSA-N -1 0 279.361 2.393 50 0 CEAARM CN(CCC(=O)[O-])C(=O)C(C)(C)c1ccc(F)cc1 ZINC000097018609 185153177 /nfs/dbraw/zinc/15/31/77/185153177.db2.gz OKPNZFGOWPYRRQ-UHFFFAOYSA-N -1 0 267.300 2.036 50 0 CEAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CC1 ZINC000097035498 185166126 /nfs/dbraw/zinc/16/61/26/185166126.db2.gz DIRMJBGAIQBKLQ-QWRGUYRKSA-N -1 0 279.361 2.236 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccncc1 ZINC000038580512 361986936 /nfs/dbraw/zinc/98/69/36/361986936.db2.gz RZJMNQBVADPLDQ-JTQLQIEISA-N -1 0 266.297 2.122 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000097035566 185166107 /nfs/dbraw/zinc/16/61/07/185166107.db2.gz WQBNUZGGFRNWRK-MNOVXSKESA-N -1 0 281.377 2.483 50 0 CEAARM CCn1c(C)cc(C(=O)N(CCC(=O)[O-])C2CC2)c1C ZINC000097035454 185166208 /nfs/dbraw/zinc/16/62/08/185166208.db2.gz QSRTVXLBKQLQTR-UHFFFAOYSA-N -1 0 278.352 2.204 50 0 CEAARM CCc1nc2sc3c(c2c(N(C)CC(=O)[O-])n1)CCC3 ZINC000041090244 362017411 /nfs/dbraw/zinc/01/74/11/362017411.db2.gz MYDQNSOMRBULBK-UHFFFAOYSA-N -1 0 291.376 2.263 50 0 CEAARM CC[C@@H](C)[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000000425516 343350314 /nfs/dbraw/zinc/35/03/14/343350314.db2.gz JVVDPDZJORLMFQ-LDYMZIIASA-N -1 0 273.361 2.401 50 0 CEAARM O=C([O-])c1cn(CCF)c2c(F)c(F)c(F)cc2c1=O ZINC000039283122 343436145 /nfs/dbraw/zinc/43/61/45/343436145.db2.gz KRBQJNAQTNYREQ-UHFFFAOYSA-N -1 0 289.184 2.087 50 0 CEAARM N#C/C(=C\c1c2c(ccc1Br)OCO2)C(=O)[O-] ZINC000048545650 343531536 /nfs/dbraw/zinc/53/15/36/343531536.db2.gz SHJSFBKCCVZULB-ZZXKWVIFSA-N -1 0 296.076 2.169 50 0 CEAARM CCN(C[C@H]1CCCO1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000048968883 362317569 /nfs/dbraw/zinc/31/75/69/362317569.db2.gz SKFQRIKCPNZHAI-CYBMUJFWSA-N -1 0 277.320 2.026 50 0 CEAARM O=C([O-])CC1(NC(=O)c2ccc(F)cn2)CCCCC1 ZINC000228565892 344561603 /nfs/dbraw/zinc/56/16/03/344561603.db2.gz STXRXIODTHSNCS-UHFFFAOYSA-N -1 0 280.299 2.128 50 0 CEAARM Cc1ccoc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921236 362423334 /nfs/dbraw/zinc/42/33/34/362423334.db2.gz TUSNPTBHCZEAET-LLVKDONJSA-N -1 0 265.309 2.448 50 0 CEAARM C[C@@H](C(=O)N1CCCC[C@H]1CCC(=O)[O-])C1CCOCC1 ZINC000263293954 295725150 /nfs/dbraw/zinc/72/51/50/295725150.db2.gz RWSKWDIUODEKDU-OCCSQVGLSA-N -1 0 297.395 2.295 50 0 CEAARM CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC000584879968 344995770 /nfs/dbraw/zinc/99/57/70/344995770.db2.gz QLINLMKCOUUAED-NSHDSACASA-N -1 0 279.292 2.143 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(O)c(F)c1 ZINC000585134395 345006728 /nfs/dbraw/zinc/00/67/28/345006728.db2.gz QMCMCWOVKJJPOY-UHFFFAOYSA-N -1 0 283.299 2.039 50 0 CEAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NC(C)C)cc1 ZINC000057576536 362586716 /nfs/dbraw/zinc/58/67/16/362586716.db2.gz OREMUUHKUYQCSJ-LBPRGKRZSA-N -1 0 279.336 2.168 50 0 CEAARM CNC(=O)c1cccc(-c2cccc(CC(=O)[O-])c2)c1 ZINC000085210199 178973858 /nfs/dbraw/zinc/97/38/58/178973858.db2.gz AQHSGRCMHPPOHN-UHFFFAOYSA-N -1 0 269.300 2.340 50 0 CEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)Cc1cccc(Cl)c1 ZINC000061216587 362677413 /nfs/dbraw/zinc/67/74/13/362677413.db2.gz PCQOQANXKHSRHU-JTQLQIEISA-N -1 0 283.755 2.452 50 0 CEAARM O=C([O-])[C@H](CNC(=O)c1cccs1)c1ccccc1 ZINC000061608532 362683332 /nfs/dbraw/zinc/68/33/32/362683332.db2.gz PEQZFPPJXGSYIZ-LLVKDONJSA-N -1 0 275.329 2.346 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000062118745 362708970 /nfs/dbraw/zinc/70/89/70/362708970.db2.gz MBLQYVKUYOXUPE-KHVHVRLGSA-N -1 0 285.752 2.348 50 0 CEAARM O=C([O-])c1nnn(Cc2ccc(F)cc2)c1-c1cccnc1 ZINC000062273910 362715915 /nfs/dbraw/zinc/71/59/15/362715915.db2.gz UWQXRHOZAKOUJW-UHFFFAOYSA-N -1 0 298.277 2.226 50 0 CEAARM CCc1ccccc1NC(=O)CN1CCCC[C@@H]1C(=O)[O-] ZINC000062453484 362718471 /nfs/dbraw/zinc/71/84/71/362718471.db2.gz BPSLEIRUXMNWMY-CQSZACIVSA-N -1 0 290.363 2.127 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000062913994 362733572 /nfs/dbraw/zinc/73/35/72/362733572.db2.gz ZKGBMHRJMJMLLU-RHSMWYFYSA-N -1 0 287.359 2.430 50 0 CEAARM COc1cc(Cl)ccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062914163 362733725 /nfs/dbraw/zinc/73/37/25/362733725.db2.gz MFTRLAFWAOAPEO-AWEZNQCLSA-N -1 0 297.738 2.285 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000062912913 362733799 /nfs/dbraw/zinc/73/37/99/362733799.db2.gz GTTZGCNPLDZTNX-KIUWMYQTSA-N -1 0 259.305 2.023 50 0 CEAARM CCC1(CC)C(=O)N[C@H]1Oc1cccc(C(=O)[O-])c1 ZINC000601014820 346732054 /nfs/dbraw/zinc/73/20/54/346732054.db2.gz UBRCDZIYEYCRJJ-ZDUSSCGKSA-N -1 0 263.293 2.026 50 0 CEAARM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])C[C@H]1C1CC1 ZINC000601014800 346732093 /nfs/dbraw/zinc/73/20/93/346732093.db2.gz OIFQLXYGVHNKRJ-TVQRCGJNSA-N -1 0 255.314 2.012 50 0 CEAARM CCCn1ccc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000064556143 362791569 /nfs/dbraw/zinc/79/15/69/362791569.db2.gz UWEYCDXHZTVHSO-UHFFFAOYSA-N -1 0 279.365 2.402 50 0 CEAARM CCn1c(C)cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000128501050 187374416 /nfs/dbraw/zinc/37/44/16/187374416.db2.gz JEIGRKFJJBWZDU-GFCCVEGCSA-N -1 0 278.352 2.062 50 0 CEAARM Cc1cscc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000094246320 302461988 /nfs/dbraw/zinc/46/19/88/302461988.db2.gz OOHWYTHRWJJXET-JTQLQIEISA-N -1 0 253.323 2.136 50 0 CEAARM Cc1oncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271311413 191066996 /nfs/dbraw/zinc/06/69/96/191066996.db2.gz LWCKVDUPUXPGNO-UHFFFAOYSA-N -1 0 294.332 2.109 50 0 CEAARM O=C([O-])[C@H](CO)n1cnc(-c2ccccc2)c1-c1ccoc1 ZINC000091602945 180203258 /nfs/dbraw/zinc/20/32/58/180203258.db2.gz KXYDJDFBPUDGPW-ZDUSSCGKSA-N -1 0 298.298 2.428 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C1CC1 ZINC000091725952 180242089 /nfs/dbraw/zinc/24/20/89/180242089.db2.gz BVUVWKYXQPDJDJ-UONOGXRCSA-N -1 0 298.342 2.351 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CC[C@H]2CCCCO2)C1 ZINC000069385962 362964612 /nfs/dbraw/zinc/96/46/12/362964612.db2.gz WMJRJZBTUGLODM-UONOGXRCSA-N -1 0 297.395 2.439 50 0 CEAARM Cc1nc(CN(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000108656781 186225734 /nfs/dbraw/zinc/22/57/34/186225734.db2.gz GPPSHETWCAMSOX-GHMZBOCLSA-N -1 0 296.392 2.301 50 0 CEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCc2ccccc2F)C1 ZINC000108654716 186225965 /nfs/dbraw/zinc/22/59/65/186225965.db2.gz WGOIVFLDHDIVOQ-STQMWFEESA-N -1 0 293.338 2.375 50 0 CEAARM C[C@@H](CC(=O)N1CCC(C(=O)[O-])CC1)C(C)(C)C ZINC000111645043 186436629 /nfs/dbraw/zinc/43/66/29/186436629.db2.gz JITLBVNSTJYWHC-JTQLQIEISA-N -1 0 255.358 2.382 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc2[nH]ccc2c1 ZINC000070309733 363068840 /nfs/dbraw/zinc/06/88/40/363068840.db2.gz NOZKYVNRISXYKU-VIFPVBQESA-N -1 0 260.293 2.151 50 0 CEAARM O=C([O-])CCCCNC(=O)c1ccc2cc[nH]c2c1 ZINC000070199869 363054491 /nfs/dbraw/zinc/05/44/91/363054491.db2.gz XFUYRKIPJIZMJB-UHFFFAOYSA-N -1 0 260.293 2.153 50 0 CEAARM C[C@@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)[O-])c2)[C@@H](C)O1 ZINC000630143042 351637659 /nfs/dbraw/zinc/63/76/59/351637659.db2.gz DSNQNYXNABZISP-GIPNMCIBSA-N -1 0 277.320 2.066 50 0 CEAARM Cn1nc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C1CC1 ZINC000630160026 351643514 /nfs/dbraw/zinc/64/35/14/351643514.db2.gz KQVWMAQFHXTKDC-UHFFFAOYSA-N -1 0 299.330 2.177 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@@H]2CCC[C@H]21 ZINC000630277611 351677193 /nfs/dbraw/zinc/67/71/93/351677193.db2.gz FFTOZQDGMPNZAR-XJFOESAGSA-N -1 0 277.364 2.445 50 0 CEAARM Cc1cnn(CC(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC000630327594 351698068 /nfs/dbraw/zinc/69/80/68/351698068.db2.gz NWXULADERJLYRH-UONOGXRCSA-N -1 0 299.330 2.018 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCOC2)cc1 ZINC000630328044 351698174 /nfs/dbraw/zinc/69/81/74/351698174.db2.gz FMWDSMLVGSBTRX-FPMFFAJLSA-N -1 0 289.331 2.240 50 0 CEAARM C[C@H]1C[N@H+](CCCC(=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000131463493 366055795 /nfs/dbraw/zinc/05/57/95/366055795.db2.gz SRMYTZUXUIUHSF-SMDDNHRTSA-N -1 0 281.327 2.452 50 0 CEAARM O=C([O-])/C=C/C1=C(Cl)c2ccccc2S1(=O)=O ZINC000004206895 304023390 /nfs/dbraw/zinc/02/33/90/304023390.db2.gz PESVIVSVXAOIEM-AATRIKPKSA-N -1 0 270.693 2.022 50 0 CEAARM Cc1c(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cnn1C ZINC000071785002 363113659 /nfs/dbraw/zinc/11/36/59/363113659.db2.gz CNOMGJSWNSCSFW-BQYQJAHWSA-N -1 0 285.303 2.079 50 0 CEAARM O=C([O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1 ZINC000008390477 304034596 /nfs/dbraw/zinc/03/45/96/304034596.db2.gz OTNJJMRXPYYIIS-UHFFFAOYSA-N -1 0 274.725 2.121 50 0 CEAARM CCCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000239165274 282925871 /nfs/dbraw/zinc/92/58/71/282925871.db2.gz NUKMWUWMUQVTFL-HBNTYKKESA-N -1 0 299.754 2.148 50 0 CEAARM CCC[C@@H](NC(=O)c1ccc(Cl)cc1C)c1nnn[n-]1 ZINC000133212348 366205658 /nfs/dbraw/zinc/20/56/58/366205658.db2.gz AXEJBUPGDPMXEJ-LLVKDONJSA-N -1 0 293.758 2.433 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cccs2)ccn1 ZINC000074932163 363422276 /nfs/dbraw/zinc/42/22/76/363422276.db2.gz BYIOXCZZNBPVQR-UHFFFAOYSA-N -1 0 254.336 2.252 50 0 CEAARM O=C([O-])C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000045796060 304041991 /nfs/dbraw/zinc/04/19/91/304041991.db2.gz SWWHTSABRNEKPE-UHFFFAOYSA-N -1 0 271.320 2.173 50 0 CEAARM CCCOc1ccc(CC2OCC(C(=O)[O-])CO2)cc1 ZINC000075284510 363453870 /nfs/dbraw/zinc/45/38/70/363453870.db2.gz KVRBKQAJKKLWRL-UHFFFAOYSA-N -1 0 280.320 2.092 50 0 CEAARM CC[C@@](C)(CNC(=O)N(C)c1ccc(F)cc1)C(=O)[O-] ZINC000211692470 540270400 /nfs/dbraw/zinc/27/04/00/540270400.db2.gz MWBMMJUHBHZBIZ-AWEZNQCLSA-N -1 0 282.315 2.472 50 0 CEAARM C[C@H]1C[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)CCO1 ZINC000262890618 540413664 /nfs/dbraw/zinc/41/36/64/540413664.db2.gz YXGMQBDZYABQIM-AAEUAGOBSA-N -1 0 291.347 2.457 50 0 CEAARM O=C([O-])C[C@@H]1COCCN1Cc1c(F)cccc1Cl ZINC000097425044 304079076 /nfs/dbraw/zinc/07/90/76/304079076.db2.gz XMCBGRZRSFWFHH-SECBINFHSA-N -1 0 287.718 2.155 50 0 CEAARM CCCc1ncc(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000136113889 366495711 /nfs/dbraw/zinc/49/57/11/366495711.db2.gz ZJFJZJXPVXOJFI-VIFPVBQESA-N -1 0 282.365 2.032 50 0 CEAARM CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])no1 ZINC000136468780 366513861 /nfs/dbraw/zinc/51/38/61/366513861.db2.gz GRZKPEDRWHAJQA-JTQLQIEISA-N -1 0 280.324 2.051 50 0 CEAARM O=C([O-])C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000004219219 304080818 /nfs/dbraw/zinc/08/08/18/304080818.db2.gz SKBFAHZHLILURA-QMMMGPOBSA-N -1 0 257.698 2.228 50 0 CEAARM O=C([O-])c1cccc(C(=O)NC[C@H]2CCCS2)c1 ZINC000150329109 366591913 /nfs/dbraw/zinc/59/19/13/366591913.db2.gz HILVCEMHFKFWBP-LLVKDONJSA-N -1 0 265.334 2.010 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178277109 189102487 /nfs/dbraw/zinc/10/24/87/189102487.db2.gz OUMYZENQDSLWBM-AWEZNQCLSA-N -1 0 284.315 2.371 50 0 CEAARM Cc1ccc2sc(NC(=O)CCC(=O)[O-])nc2c1 ZINC000000040634 361120434 /nfs/dbraw/zinc/12/04/34/361120434.db2.gz HAZKHSMKJVCFFH-UHFFFAOYSA-N -1 0 264.306 2.408 50 0 CEAARM O=c1c2ccccc2[n-]c(=S)n1C[C@@H]1CCCO1 ZINC000000317112 361161106 /nfs/dbraw/zinc/16/11/06/361161106.db2.gz XKGHQFJXVMZVCI-VIFPVBQESA-N -1 0 262.334 2.238 50 0 CEAARM CCc1cc(C(=O)OC)c(NC(=O)CCCC(=O)[O-])s1 ZINC000000214874 361147835 /nfs/dbraw/zinc/14/78/35/361147835.db2.gz HFDVBDIXQGLUDM-UHFFFAOYSA-N -1 0 299.348 2.291 50 0 CEAARM Cc1ccoc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000000261956 361153066 /nfs/dbraw/zinc/15/30/66/361153066.db2.gz VERAUCCGLBLTGA-UHFFFAOYSA-N -1 0 259.261 2.467 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCc1ccccc1 ZINC000000299808 361157987 /nfs/dbraw/zinc/15/79/87/361157987.db2.gz ZVGKSRYCAMAYDG-KGLIPLIRSA-N -1 0 275.348 2.236 50 0 CEAARM O=C([O-])CSCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000100793 361127360 /nfs/dbraw/zinc/12/73/60/361127360.db2.gz MWAQQQBWXJNSMX-UHFFFAOYSA-N -1 0 277.704 2.235 50 0 CEAARM Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3o2)cc1 ZINC000000382838 361168719 /nfs/dbraw/zinc/16/87/19/361168719.db2.gz FAWFMBVZCOQNTH-UHFFFAOYSA-N -1 0 289.316 2.211 50 0 CEAARM Cc1cccc(NC(=O)CSCC(=O)[O-])c1C ZINC000000420794 361172262 /nfs/dbraw/zinc/17/22/62/361172262.db2.gz STMRHQUTOWIYMC-UHFFFAOYSA-N -1 0 253.323 2.060 50 0 CEAARM CCc1cc(=O)oc2c(C)c(OCC(=O)[O-])ccc12 ZINC000000453887 361177279 /nfs/dbraw/zinc/17/72/79/361177279.db2.gz HZQDNFUBIZJIMB-UHFFFAOYSA-N -1 0 262.261 2.127 50 0 CEAARM C[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 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C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)[O-] ZINC000008671129 170344639 /nfs/dbraw/zinc/34/46/39/170344639.db2.gz MOIRVCXXIYVOEV-QMMMGPOBSA-N -1 0 276.317 2.414 50 0 CEAARM O=C([O-])CSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000008763122 170354759 /nfs/dbraw/zinc/35/47/59/170354759.db2.gz NVFIGQYDZXKAEK-UHFFFAOYSA-N -1 0 262.290 2.026 50 0 CEAARM CCCC[S@@](=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000008855191 170357243 /nfs/dbraw/zinc/35/72/43/170357243.db2.gz HGZHGSQXLKZQKZ-SFHVURJKSA-N -1 0 265.334 2.141 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)s1 ZINC000009220077 170367158 /nfs/dbraw/zinc/36/71/58/170367158.db2.gz UMSZFJBBCRBHNL-UHFFFAOYSA-N -1 0 285.394 2.208 50 0 CEAARM CCN(C(=O)N[C@@H](CCSC)C(=O)[O-])c1ccccc1 ZINC000009418362 170376083 /nfs/dbraw/zinc/37/60/83/170376083.db2.gz LZXCOCVNRNAJDL-LBPRGKRZSA-N -1 0 296.392 2.429 50 0 CEAARM COc1cccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000013091917 170531171 /nfs/dbraw/zinc/53/11/71/170531171.db2.gz HJMOXGMRXUGHBF-UHFFFAOYSA-N -1 0 299.326 2.252 50 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RMTYNAYMWBWOIT-UHFFFAOYSA-N -1 0 264.325 2.325 50 0 CEAARM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)CC1CC1 ZINC000405313239 414792558 /nfs/dbraw/zinc/79/25/58/414792558.db2.gz OBSGJZIXMBMJRY-ZOBORPQBSA-N -1 0 277.364 2.206 50 0 CEAARM C[C@@H]1CN(c2ncccc2C(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000662900278 414795796 /nfs/dbraw/zinc/79/57/96/414795796.db2.gz MXYIPFPWMPODRD-AMIZOPFISA-N -1 0 286.278 2.029 50 0 CEAARM C[C@@H](CN(C)C(=O)c1ccccc1OC(F)F)C(=O)[O-] ZINC000042694700 174842863 /nfs/dbraw/zinc/84/28/63/174842863.db2.gz VDSCHQMGXUXMDZ-QMMMGPOBSA-N -1 0 287.262 2.081 50 0 CEAARM Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043583488 175070606 /nfs/dbraw/zinc/07/06/06/175070606.db2.gz KGVQHZIMWRWFCK-NSHDSACASA-N -1 0 265.309 2.305 50 0 CEAARM CC/C=C(/C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043589666 175073498 /nfs/dbraw/zinc/07/34/98/175073498.db2.gz KWESVBLPUCYRIE-QJGQKNTRSA-N -1 0 253.342 2.446 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)c1cc2ccccc2[nH]1 ZINC000070309562 175886935 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260113722 /nfs/dbraw/zinc/11/37/22/260113722.db2.gz YMGHHZVRIOHUOF-ZJUUUORDSA-N -1 0 287.237 2.042 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)C2CC=CC2)c1 ZINC000085159899 260371577 /nfs/dbraw/zinc/37/15/77/260371577.db2.gz YECAXQOCXIUPDN-UHFFFAOYSA-N -1 0 259.305 2.010 50 0 CEAARM CC(C)(C)OC(=O)N1CC2(C1)CCC(C(=O)[O-])CC2 ZINC000095644253 278379883 /nfs/dbraw/zinc/37/98/83/278379883.db2.gz CGBNTOUUTCHHQO-UHFFFAOYSA-N -1 0 269.341 2.498 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H](n2ccc(C(=O)[O-])n2)C1 ZINC000097139092 278390420 /nfs/dbraw/zinc/39/04/20/278390420.db2.gz VWQWGHVXURBZQG-SNVBAGLBSA-N -1 0 295.339 2.153 50 0 CEAARM CC(C)(C)c1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000016712026 278561159 /nfs/dbraw/zinc/56/11/59/278561159.db2.gz QWLMUXOBFSXBJL-AWEZNQCLSA-N -1 0 277.364 2.442 50 0 CEAARM CC(C)(NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000095956926 278630708 /nfs/dbraw/zinc/63/07/08/278630708.db2.gz CVRVOOIXWKYGAV-HTQZYQBOSA-N -1 0 281.274 2.335 50 0 CEAARM CC(C)c1ccc(NC(=O)C2=C([O-])COC2=O)cc1 ZINC000100336340 280608682 /nfs/dbraw/zinc/60/86/82/280608682.db2.gz SYVILUGGBXCHHN-UHFFFAOYSA-N -1 0 261.277 2.117 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCCc2ccccc21 ZINC000085405466 281471517 /nfs/dbraw/zinc/47/15/17/281471517.db2.gz NHVVJDDAZPAJKV-STQMWFEESA-N -1 0 273.332 2.323 50 0 CEAARM CCC(=O)N1c2cc(Cl)ccc2OC[C@H]1CC(=O)[O-] ZINC000299803773 281945122 /nfs/dbraw/zinc/94/51/22/281945122.db2.gz CFTKLOGTPYUHES-SECBINFHSA-N -1 0 283.711 2.319 50 0 CEAARM C[C@H]1CN(c2cc(F)c(C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000169801136 300296195 /nfs/dbraw/zinc/29/61/95/300296195.db2.gz IBHGMIOMYNYYGH-YUMQZZPRSA-N -1 0 271.263 2.277 50 0 CEAARM Cc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1C(F)(F)F ZINC000004207386 301065681 /nfs/dbraw/zinc/06/56/81/301065681.db2.gz XNYGKODHZYWTOU-UHFFFAOYSA-N -1 0 298.220 2.258 50 0 CEAARM Cc1cc(N(C)C[C@H](C)C(=O)[O-])nc(-c2cccnc2)n1 ZINC000263539193 301330403 /nfs/dbraw/zinc/33/04/03/301330403.db2.gz BMXHSYKAEYUVOT-JTQLQIEISA-N -1 0 286.335 2.004 50 0 CEAARM Cc1cccnc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000005936205 302240456 /nfs/dbraw/zinc/24/04/56/302240456.db2.gz NLXLDLZKOHEWNG-GHMZBOCLSA-N -1 0 262.309 2.220 50 0 CEAARM Cc1nn(C)c(C)c1-c1noc2nc(C)cc(C(=O)[O-])c21 ZINC000012398353 302735338 /nfs/dbraw/zinc/73/53/38/302735338.db2.gz QVZVMXGWZOCLFB-UHFFFAOYSA-N -1 0 286.291 2.247 50 0 CEAARM Cc1onc(C(=O)[O-])c1COc1ccc(F)cc1 ZINC000009286903 302877724 /nfs/dbraw/zinc/87/77/24/302877724.db2.gz LZGUJDYMYQPFEI-UHFFFAOYSA-N -1 0 251.213 2.399 50 0 CEAARM Cn1c2ccccc2c([O-])c([S@](=O)C(C)(C)C)c1=O ZINC000101492356 302901820 /nfs/dbraw/zinc/90/18/20/302901820.db2.gz MMQZMYNXGSQQMI-LJQANCHMSA-N -1 0 279.361 2.150 50 0 CEAARM Cn1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])o1 ZINC000169685598 302902175 /nfs/dbraw/zinc/90/21/75/302902175.db2.gz SRSLUNBLQGBYSD-UHFFFAOYSA-N -1 0 278.289 2.080 50 0 CEAARM COCCOc1ccc(-c2ncccc2C(=O)[O-])cc1 ZINC000534637718 328334703 /nfs/dbraw/zinc/33/47/03/328334703.db2.gz AQBYNWUITZCJQU-UHFFFAOYSA-N -1 0 273.288 2.472 50 0 CEAARM Cc1oc(CN(C)C(=O)c2cscn2)cc1C(=O)[O-] ZINC000096480444 534545256 /nfs/dbraw/zinc/54/52/56/534545256.db2.gz FQYVTTXHPFFUSJ-UHFFFAOYSA-N -1 0 280.305 2.015 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000155801829 526247411 /nfs/dbraw/zinc/24/74/11/526247411.db2.gz FSTQMOJUHJJTCY-CQSZACIVSA-N -1 0 284.315 2.232 50 0 CEAARM CC(C)[C@@H](NC(=O)CCc1cccc(F)c1F)C(=O)[O-] ZINC000096479621 528543205 /nfs/dbraw/zinc/54/32/05/528543205.db2.gz XOTVSVVYMAGCOE-CYBMUJFWSA-N -1 0 285.290 2.123 50 0 CEAARM CC(C)[C@H](NC(=O)[C@H](C)c1cccs1)C(=O)[O-] ZINC000096479613 529105328 /nfs/dbraw/zinc/10/53/28/529105328.db2.gz NEPCSEKECHUHMP-SCZZXKLOSA-N -1 0 255.339 2.077 50 0 CEAARM CC[C@H](NC(=O)[C@@H]1C[C@H]1c1sccc1C)C(=O)[O-] ZINC000252485871 535836937 /nfs/dbraw/zinc/83/69/37/535836937.db2.gz BGQVJXHHPHWTCU-BBBLOLIVSA-N -1 0 267.350 2.139 50 0 CEAARM O=C([O-])CC1(NC(=O)[C@@H]2CC2(Cl)Cl)CCCCC1 ZINC000767058982 601186862 /nfs/dbraw/zinc/18/68/62/601186862.db2.gz 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O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC000021963372 304104252 /nfs/dbraw/zinc/10/42/52/304104252.db2.gz IKBBNHNPZIDCAB-NSHDSACASA-N -1 0 267.712 2.419 50 0 CEAARM CCOc1ccc(C)cc1[C@H](C)NC(=O)CCC(=O)[O-] ZINC000011847635 361365801 /nfs/dbraw/zinc/36/58/01/361365801.db2.gz DCEPFRJNIIIEJM-NSHDSACASA-N -1 0 279.336 2.436 50 0 CEAARM Cn1c(SCC(=O)[O-])nnc1C1CCCCC1 ZINC000012357573 361378752 /nfs/dbraw/zinc/37/87/52/361378752.db2.gz BNHIXPXOCQCHTR-UHFFFAOYSA-N -1 0 255.343 2.040 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000013170557 361422160 /nfs/dbraw/zinc/42/21/60/361422160.db2.gz BSMLISLHEQSZDM-ZETCQYMHSA-N -1 0 273.741 2.338 50 0 CEAARM Cc1cccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000013167492 361422238 /nfs/dbraw/zinc/42/22/38/361422238.db2.gz XIQBDSXUSOOHSJ-AATRIKPKSA-N -1 0 273.332 2.331 50 0 CEAARM CCN(CC)C(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013034583 361417298 /nfs/dbraw/zinc/41/72/98/361417298.db2.gz IZQIKFUXDZVOKX-UHFFFAOYSA-N -1 0 285.727 2.285 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cn1C ZINC000015785437 361479185 /nfs/dbraw/zinc/47/91/85/361479185.db2.gz NDMLUJJNJHSSGH-UHFFFAOYSA-N -1 0 279.365 2.146 50 0 CEAARM O=C([O-])COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000016400300 361486978 /nfs/dbraw/zinc/48/69/78/361486978.db2.gz GZCBPDCRKATUQO-UITAMQMPSA-N -1 0 295.341 2.479 50 0 CEAARM CCCCCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000018275967 361517904 /nfs/dbraw/zinc/51/79/04/361517904.db2.gz NBHLXNWSBLUMNX-UHFFFAOYSA-N -1 0 274.320 2.154 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000019282661 361525203 /nfs/dbraw/zinc/52/52/03/361525203.db2.gz VUCHWJUTZNNJOL-MRVPVSSYSA-N -1 0 285.702 2.416 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC000183904113 189371047 /nfs/dbraw/zinc/37/10/47/189371047.db2.gz FQBOWTPHGUNECA-GFCCVEGCSA-N -1 0 298.342 2.480 50 0 CEAARM [O-]C(=C[C@@]1(C(F)(F)F)NCCO1)c1cccs1 ZINC000019940185 361569147 /nfs/dbraw/zinc/56/91/47/361569147.db2.gz VGYNRMJLVBQRKP-SECBINFHSA-N -1 0 265.256 2.199 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 ZINC000019737370 361550088 /nfs/dbraw/zinc/55/00/88/361550088.db2.gz ZBMFNZYBCQOJMY-JQWIXIFHSA-N -1 0 293.323 2.004 50 0 CEAARM O=c1c2cnccc2[n-]cc1S(=O)(=O)c1ccccc1 ZINC000021729816 361584688 /nfs/dbraw/zinc/58/46/88/361584688.db2.gz BUVIMHQUMPDHDF-UHFFFAOYSA-N -1 0 286.312 2.168 50 0 CEAARM CCCc1nnc([N-]S(=O)(=O)c2cccs2)s1 ZINC000028248470 361670528 /nfs/dbraw/zinc/67/05/28/361670528.db2.gz SAXBWDWKQMMPTO-UHFFFAOYSA-N -1 0 289.407 2.353 50 0 CEAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CCC2)c(Cl)c1 ZINC000237175940 370697434 /nfs/dbraw/zinc/69/74/34/370697434.db2.gz UXINWVGUQHICLY-UHFFFAOYSA-N -1 0 297.738 2.015 50 0 CEAARM CCc1nc2n(n1)CCC[C@H]2[N-]c1nc(C(C)C)no1 ZINC000089295946 363954653 /nfs/dbraw/zinc/95/46/53/363954653.db2.gz DYFAXZXHENHPKB-SECBINFHSA-N -1 0 276.344 2.294 50 0 CEAARM Cc1[nH]ncc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000090231132 364050540 /nfs/dbraw/zinc/05/05/40/364050540.db2.gz LGXMLNQWHPVHDV-UHFFFAOYSA-N -1 0 289.719 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/nfs/dbraw/zinc/76/18/40/370761840.db2.gz ITJTWUYOFRUEPR-LLVKDONJSA-N -1 0 297.301 2.221 50 0 CEAARM Cn1c(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC000237713056 370747049 /nfs/dbraw/zinc/74/70/49/370747049.db2.gz JPLNHPOYXVWTJF-HNNXBMFYSA-N -1 0 298.342 2.381 50 0 CEAARM Cn1ccc2c1cccc2C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237809783 370752219 /nfs/dbraw/zinc/75/22/19/370752219.db2.gz GDCZAKHCDMNVNV-INIZCTEOSA-N -1 0 286.331 2.115 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000238063793 370768667 /nfs/dbraw/zinc/76/86/67/370768667.db2.gz VAPHTQHLAJXVHM-VIFPVBQESA-N -1 0 287.768 2.410 50 0 CEAARM O=C([O-])CCN(C(=O)CC1CCCCC1)C1CCOCC1 ZINC000238061881 370768869 /nfs/dbraw/zinc/76/88/69/370768869.db2.gz QQPLQFAIKZZIIK-UHFFFAOYSA-N -1 0 297.395 2.439 50 0 CEAARM O=C([O-])c1ccc(C(=O)NCCc2cc3ccccc3[nH]2)o1 ZINC000238015896 370767158 /nfs/dbraw/zinc/76/71/58/370767158.db2.gz SJIIYEKNPOCFTI-UHFFFAOYSA-N -1 0 298.298 2.432 50 0 CEAARM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCCCO2)c(F)c1 ZINC000095031279 364324734 /nfs/dbraw/zinc/32/47/34/364324734.db2.gz LIKITBBIPBHKDY-JTQLQIEISA-N -1 0 281.283 2.422 50 0 CEAARM Cc1ccc(NC(=O)c2cscn2)cc1C(=O)[O-] ZINC000095389602 364354798 /nfs/dbraw/zinc/35/47/98/364354798.db2.gz UBOZTBROYUEGOR-UHFFFAOYSA-N -1 0 262.290 2.402 50 0 CEAARM CCc1nnc([N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000095411017 364364200 /nfs/dbraw/zinc/36/42/00/364364200.db2.gz JANGAHJWVRBFAK-UHFFFAOYSA-N -1 0 297.405 2.085 50 0 CEAARM Cc1ccc([C@H](C(=O)[O-])N2CCSCC2)c(F)c1 ZINC000095359958 364344968 /nfs/dbraw/zinc/34/49/68/364344968.db2.gz XHTQOZZKIYVQFX-GFCCVEGCSA-N -1 0 269.341 2.309 50 0 CEAARM Cc1cc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)on1 ZINC000097551476 364509090 /nfs/dbraw/zinc/50/90/90/364509090.db2.gz QFLCGEJJKQFYDQ-UHFFFAOYSA-N -1 0 290.319 2.078 50 0 CEAARM CC1(C)CC(=O)C(C(=O)Nc2ccccc2)=C([O-])C1 ZINC000100326371 364544228 /nfs/dbraw/zinc/54/42/28/364544228.db2.gz BKUJWVZTAGNWAP-UHFFFAOYSA-N -1 0 259.305 2.200 50 0 CEAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCC(=O)NC(C)C 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CCC[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000195551841 370140987 /nfs/dbraw/zinc/14/09/87/370140987.db2.gz DFPSPFPVVNDMKV-SSDOTTSWSA-N -1 0 293.216 2.226 50 0 CEAARM CC(C)[C@@H](NC(=O)/C=C\c1cccc(F)c1)C(=O)[O-] ZINC000208197108 370158999 /nfs/dbraw/zinc/15/89/99/370158999.db2.gz ZWJMNBBBIVPBFZ-FMFIFOJESA-N -1 0 265.284 2.064 50 0 CEAARM C[C@H](CN(C(=O)/C=C\C(C)(C)C)C1CC1)C(=O)[O-] ZINC000222174118 370252379 /nfs/dbraw/zinc/25/23/79/370252379.db2.gz MXGOUPVLZQQGEG-GQYWMQPJSA-N -1 0 253.342 2.300 50 0 CEAARM O=C([O-])[C@@H]1CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000252485168 371444253 /nfs/dbraw/zinc/44/42/53/371444253.db2.gz GOONKVNSYKADTJ-INIZCTEOSA-N -1 0 298.342 2.320 50 0 CEAARM Cn1cccc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000252597696 371458118 /nfs/dbraw/zinc/45/81/18/371458118.db2.gz CTQGDVUIAIGFBX-UHFFFAOYSA-N -1 0 291.318 2.291 50 0 CEAARM O=C([O-])C1CCN(c2ccc(C(F)(F)F)nc2)CC1 ZINC000261494874 371638399 /nfs/dbraw/zinc/63/83/99/371638399.db2.gz PCKVSGJSPQKLNA-UHFFFAOYSA-N -1 0 274.242 2.401 50 0 CEAARM Cc1nnc(NN=Cc2ccccc2C(F)(F)F)[n-]c1=O ZINC000263631450 371944892 /nfs/dbraw/zinc/94/48/92/371944892.db2.gz ZTSQRSGVFPLYFB-UHFFFAOYSA-N -1 0 297.240 2.350 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1c(F)cccc1F ZINC000238075996 189898723 /nfs/dbraw/zinc/89/87/23/189898723.db2.gz NSTVDTPLVOSUQB-NNNHXZLVSA-N -1 0 281.258 2.054 50 0 CEAARM O=C([O-])[C@H](NC(=O)c1cccs1)c1ccccc1 ZINC000002456001 304173459 /nfs/dbraw/zinc/17/34/59/304173459.db2.gz JQDFNCZLEHZUNZ-LLVKDONJSA-N -1 0 261.302 2.304 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)c(Cl)c1 ZINC000082576996 304186388 /nfs/dbraw/zinc/18/63/88/304186388.db2.gz AMAXOXDGTMOPAM-SNVBAGLBSA-N -1 0 271.675 2.168 50 0 CEAARM O=C([O-])CCCC(=O)N1CCC2(C1)CCCCC2 ZINC000385314692 375232369 /nfs/dbraw/zinc/23/23/69/375232369.db2.gz FADIVXJJVZMGJW-UHFFFAOYSA-N -1 0 253.342 2.424 50 0 CEAARM O=c1c(Br)c[n-]n1Cc1ccccc1 ZINC000261493411 190039122 /nfs/dbraw/zinc/03/91/22/190039122.db2.gz AOCMRMHPJIQGJM-UHFFFAOYSA-N -1 0 253.099 2.400 50 0 CEAARM O=C(C[C@@H]1C=CCC1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000331070693 377269095 /nfs/dbraw/zinc/26/90/95/377269095.db2.gz CRKPCCVGAWTUGN-SSDOTTSWSA-N -1 0 259.231 2.145 50 0 CEAARM O=C([O-])c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000000170171 304224435 /nfs/dbraw/zinc/22/44/35/304224435.db2.gz NRKUXXZIOZEREM-UHFFFAOYSA-N -1 0 263.680 2.248 50 0 CEAARM O=C([O-])c1cc(I)c(F)cc1F ZINC000036047160 304225374 /nfs/dbraw/zinc/22/53/74/304225374.db2.gz OSBABFNFGBPWGL-UHFFFAOYSA-N -1 0 283.999 2.268 50 0 CEAARM O=C([O-])c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000000192561 304240919 /nfs/dbraw/zinc/24/09/19/304240919.db2.gz NIHMCLGGARGAHJ-UHFFFAOYSA-N -1 0 281.267 2.181 50 0 CEAARM O=C([O-])c1ccccc1-n1ncc2ccccc2c1=O ZINC000011919557 304266859 /nfs/dbraw/zinc/26/68/59/304266859.db2.gz XQRZCOLYSOZBOT-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2ccc(F)cc2)o1 ZINC000094554544 184817464 /nfs/dbraw/zinc/81/74/64/184817464.db2.gz BWRUSHWGRWCTDM-UHFFFAOYSA-N -1 0 263.224 2.047 50 0 CEAARM C[C@H](CC(=O)N1CCC(O)(C(=O)[O-])CC1)C1CCCCC1 ZINC000095425519 184979005 /nfs/dbraw/zinc/97/90/05/184979005.db2.gz KDXJMBZKCQBPFF-GFCCVEGCSA-N -1 0 297.395 2.031 50 0 CEAARM O=C([O-])c1csc(-c2cnn(-c3ccccc3)n2)n1 ZINC000036893222 304281818 /nfs/dbraw/zinc/28/18/18/304281818.db2.gz CCVIAGQMPFKJNE-UHFFFAOYSA-N -1 0 272.289 2.089 50 0 CEAARM CCOC[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000236970609 130993257 /nfs/dbraw/zinc/99/32/57/130993257.db2.gz AYPCJCDABPXVRJ-GFCCVEGCSA-N -1 0 291.347 2.274 50 0 CEAARM COCC1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCC1 ZINC000263052359 131280660 /nfs/dbraw/zinc/28/06/60/131280660.db2.gz FRLBZBLBEZYWEO-UHFFFAOYSA-N -1 0 277.320 2.448 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000263380162 131291009 /nfs/dbraw/zinc/29/10/09/131291009.db2.gz BHSRFKUVMIVEGV-YKDSUIRESA-N -1 0 297.301 2.294 50 0 CEAARM COCCC[C@]1(C(=O)[O-])CCCN(c2ccc(F)cn2)C1 ZINC000091665001 135072894 /nfs/dbraw/zinc/07/28/94/135072894.db2.gz IMTXOMWPLDAZRE-OAHLLOKOSA-N -1 0 296.342 2.319 50 0 CEAARM Cc1cnc(CCN(C)[C@H](C)c2nc(C)cc(=O)[nH]2)s1 ZINC000192707187 395391222 /nfs/dbraw/zinc/39/12/22/395391222.db2.gz AUTYVIUWMDODRL-LLVKDONJSA-N -1 0 292.408 2.491 50 0 CEAARM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529700723 395433117 /nfs/dbraw/zinc/43/31/17/395433117.db2.gz JPHLWDQBCCKUHD-AXTSPUMRSA-N -1 0 295.408 2.010 50 0 CEAARM Cc1ncoc1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000262897296 153996214 /nfs/dbraw/zinc/99/62/14/153996214.db2.gz ZQHDOBJPAUZVAJ-VIFPVBQESA-N -1 0 288.303 2.499 50 0 CEAARM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263042516 154009859 /nfs/dbraw/zinc/00/98/59/154009859.db2.gz DDMDOVCKCCUFGS-KGLIPLIRSA-N -1 0 291.347 2.228 50 0 CEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC12CC2 ZINC000263215821 154033997 /nfs/dbraw/zinc/03/39/97/154033997.db2.gz OCTXYSBTQRLFMY-TZMCWYRMSA-N -1 0 298.342 2.080 50 0 CEAARM Cc1cc([C@H](NC(=O)[C@H]2CC23CC3)C(=O)[O-])ccc1F ZINC000263239027 154042312 /nfs/dbraw/zinc/04/23/12/154042312.db2.gz RJVQRZGXHLCROL-PWSUYJOCSA-N -1 0 277.295 2.176 50 0 CEAARM CCc1cccnc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263426483 154085255 /nfs/dbraw/zinc/08/52/55/154085255.db2.gz MHKAQHLYBFOCLC-LBPRGKRZSA-N -1 0 290.363 2.361 50 0 CEAARM CCCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1nncs1 ZINC000002272791 169784223 /nfs/dbraw/zinc/78/42/23/169784223.db2.gz ZKZXPUBFBWIMQA-RKDXNWHRSA-N -1 0 285.369 2.394 50 0 CEAARM Cn1c2ccccc2c(CC(=O)N2CCCC2)c1C(=O)[O-] ZINC000002494056 169795033 /nfs/dbraw/zinc/79/50/33/169795033.db2.gz VEWAQHXGFBXYPK-UHFFFAOYSA-N -1 0 286.331 2.041 50 0 CEAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)NCCCO ZINC000002716161 169822234 /nfs/dbraw/zinc/82/22/34/169822234.db2.gz JPBJDLMBWMAOBY-UHFFFAOYSA-N -1 0 299.326 2.164 50 0 CEAARM O=Cc1sc(=O)n(Cc2cccc(C(=O)[O-])c2)c1Cl ZINC000004899321 170038107 /nfs/dbraw/zinc/03/81/07/170038107.db2.gz SGGCSXYJKYZSGF-UHFFFAOYSA-N -1 0 297.719 2.122 50 0 CEAARM Cc1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000005541168 170110938 /nfs/dbraw/zinc/11/09/38/170110938.db2.gz UGYJLXJVXAIFMI-ZIAGYGMSSA-N -1 0 273.332 2.278 50 0 CEAARM Cc1[nH]nc2ncc(C(=O)c3cc(F)ccc3[O-])cc12 ZINC000005827208 170144425 /nfs/dbraw/zinc/14/44/25/170144425.db2.gz YVRTXHDOYWNRHB-UHFFFAOYSA-N -1 0 271.251 2.342 50 0 CEAARM CCCC1N=NC(=S)N1c1ccc(C(=O)[O-])cc1 ZINC000006391383 170197579 /nfs/dbraw/zinc/19/75/79/170197579.db2.gz ZGZLKWIAVVYONF-UHFFFAOYSA-N -1 0 263.322 2.207 50 0 CEAARM CCOc1ccccc1-c1nc(SCC(=O)[O-])n[nH]1 ZINC000006553462 170212722 /nfs/dbraw/zinc/21/27/22/170212722.db2.gz BAIKCMQSTHHYBA-UHFFFAOYSA-N -1 0 279.321 2.047 50 0 aggregator CEAARM CC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000006759820 170241656 /nfs/dbraw/zinc/24/16/56/170241656.db2.gz HHVJPFMSIOVVQZ-GFCCVEGCSA-N -1 0 274.320 2.080 50 0 CEAARM CSCC[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000006882749 170252882 /nfs/dbraw/zinc/25/28/82/170252882.db2.gz LHMKSUCVYQXQSN-SECBINFHSA-N -1 0 277.386 2.498 50 0 CEAARM CCCOc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000008744308 170353356 /nfs/dbraw/zinc/35/33/56/170353356.db2.gz VFDPAZZMKPCOCJ-UHFFFAOYSA-N -1 0 260.297 2.006 50 0 CEAARM CCc1cc(=O)n2[n-]c(COC)c(-c3ccccc3)c2n1 ZINC000008766942 170354627 /nfs/dbraw/zinc/35/46/27/170354627.db2.gz WFGTUFAHKPEQFV-UHFFFAOYSA-N -1 0 283.331 2.398 50 0 CEAARM CCCCCC(=O)Nc1nn2c([n-]1)nc(CCC)cc2=O ZINC000008995148 170360883 /nfs/dbraw/zinc/36/08/83/170360883.db2.gz AAHYQRRFRHKWHV-UHFFFAOYSA-N -1 0 291.355 2.301 50 0 CEAARM CCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000008992243 170361097 /nfs/dbraw/zinc/36/10/97/170361097.db2.gz JIICXBYUQCFWBN-NSHDSACASA-N -1 0 260.293 2.151 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1cccs1 ZINC000012983338 170525568 /nfs/dbraw/zinc/52/55/68/170525568.db2.gz CESLJOSWMCFILE-QWRGUYRKSA-N -1 0 265.334 2.031 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000013425670 170549864 /nfs/dbraw/zinc/54/98/64/170549864.db2.gz GSKDLRKISPLJMP-UHFFFAOYSA-N -1 0 285.702 2.416 50 0 CEAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)c(Br)c1 ZINC000019405838 170786912 /nfs/dbraw/zinc/78/69/12/170786912.db2.gz LRLGMGTXNVDSMW-MRVPVSSYSA-N -1 0 298.136 2.195 50 0 CEAARM Cc1c(NC(=O)c2cccnc2)cccc1C(=O)[O-] ZINC000020143445 171029219 /nfs/dbraw/zinc/02/92/19/171029219.db2.gz RXKNNBORXKUUAO-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM COc1ccc(C(=O)[O-])cc1OCc1cccnc1 ZINC000020281688 171132885 /nfs/dbraw/zinc/13/28/85/171132885.db2.gz HDBQUWYPJNYPCV-UHFFFAOYSA-N -1 0 259.261 2.367 50 0 CEAARM Cc1cccc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)c1 ZINC000020800692 171273066 /nfs/dbraw/zinc/27/30/66/171273066.db2.gz BQHVUWPWPPZONV-LLVKDONJSA-N -1 0 297.310 2.294 50 0 CEAARM O=C(NCc1cccnc1)c1ccc([O-])c(Cl)c1 ZINC000021055708 171295465 /nfs/dbraw/zinc/29/54/65/171295465.db2.gz WUMLRIYKDUNQTB-UHFFFAOYSA-N -1 0 262.696 2.371 50 0 CEAARM CC(C)(C)c1nc(CN2CCC[C@H]2C(=O)[O-])cs1 ZINC000035303287 172117733 /nfs/dbraw/zinc/11/77/33/172117733.db2.gz KRWZKMZPBMTHMW-JTQLQIEISA-N -1 0 268.382 2.490 50 0 CEAARM COc1ccc(C2(C(=O)[O-])CCC(=O)CC2)cc1OC ZINC000035630106 172311296 /nfs/dbraw/zinc/31/12/96/172311296.db2.gz YLJKQDCUVKTPEE-UHFFFAOYSA-N -1 0 278.304 2.169 50 0 CEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)C1CCCC1 ZINC000037310254 173112516 /nfs/dbraw/zinc/11/25/16/173112516.db2.gz LTXJILRSXBVWQO-UHFFFAOYSA-N -1 0 284.333 2.110 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)Cc1c(F)cccc1Cl ZINC000037328909 173129332 /nfs/dbraw/zinc/12/93/32/173129332.db2.gz BNNKDUDSQLMBIS-UHFFFAOYSA-N -1 0 287.718 2.345 50 0 CEAARM Cc1ccc2c(CC(=O)N3CCC[C@@H]3C(=O)[O-])coc2c1 ZINC000037410351 173186846 /nfs/dbraw/zinc/18/68/46/173186846.db2.gz NNQCIKJKESBPAH-CYBMUJFWSA-N -1 0 287.315 2.359 50 0 CEAARM O=C([O-])C1(NC(=O)COc2ccccc2Cl)CCCC1 ZINC000037419866 173196622 /nfs/dbraw/zinc/19/66/22/173196622.db2.gz NPBFSCQEKPTTRR-UHFFFAOYSA-N -1 0 297.738 2.232 50 0 CEAARM Cc1oc(Cn2cc(Br)cn2)cc1C(=O)[O-] ZINC000038054186 174065568 /nfs/dbraw/zinc/06/55/68/174065568.db2.gz LNUKEJXFHDTVET-UHFFFAOYSA-N -1 0 285.097 2.294 50 0 CEAARM COCOc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000038284912 174138644 /nfs/dbraw/zinc/13/86/44/174138644.db2.gz NLCWXYCTNTYKGZ-UHFFFAOYSA-N -1 0 250.172 2.386 50 0 CEAARM COc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccncc1 ZINC000040478826 174283319 /nfs/dbraw/zinc/28/33/19/174283319.db2.gz RKMMMKQBKDLJTR-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM CCOC(=O)C(CC)=C([O-])c1cccc(OC)c1 ZINC000043501931 175059141 /nfs/dbraw/zinc/05/91/41/175059141.db2.gz AHACBSHOBOWKJW-LBPRGKRZSA-N -1 0 250.294 2.467 50 0 CEAARM Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000043589653 175073442 /nfs/dbraw/zinc/07/34/42/175073442.db2.gz MTYGGZOGAHZQAW-LBPRGKRZSA-N -1 0 276.336 2.107 50 0 CEAARM CC[C@H](C)NC(=O)CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000044362918 175167742 /nfs/dbraw/zinc/16/77/42/175167742.db2.gz PKIUGKHSQPDVGT-VIFPVBQESA-N -1 0 298.770 2.080 50 0 CEAARM Cc1cc(C)cc(OCC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000058419447 175623991 /nfs/dbraw/zinc/62/39/91/175623991.db2.gz LJDGOCXFZJGQSD-OAHLLOKOSA-N -1 0 279.336 2.257 50 0 CEAARM O=C([O-])C1CN(C(=O)CSCc2ccccc2Cl)C1 ZINC000063848257 175689028 /nfs/dbraw/zinc/68/90/28/175689028.db2.gz QYDMJKXAKYRTHY-UHFFFAOYSA-N -1 0 299.779 2.116 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2F)c1-c1ccccn1 ZINC000065288245 175707782 /nfs/dbraw/zinc/70/77/82/175707782.db2.gz GZNOOYHXZGEMHI-UHFFFAOYSA-N -1 0 284.250 2.167 50 0 CEAARM O=C([O-])C1(NC(=O)c2cnc3ccccc3n2)CCCCC1 ZINC000069926118 175862396 /nfs/dbraw/zinc/86/23/96/175862396.db2.gz AVSBQECIEINKGE-UHFFFAOYSA-N -1 0 299.330 2.147 50 0 CEAARM Cc1ccncc1[N-]S(=O)(=O)c1c(C)cccc1N ZINC000071413550 176159159 /nfs/dbraw/zinc/15/91/59/176159159.db2.gz HDFYGCROSLUSNS-UHFFFAOYSA-N -1 0 277.349 2.081 50 0 CEAARM O=C([O-])c1ccnc(-c2ccnc(CC3CC3)n2)c1 ZINC000071748287 176258932 /nfs/dbraw/zinc/25/89/32/176258932.db2.gz PWZSTWGQHYIUQJ-UHFFFAOYSA-N -1 0 255.277 2.189 50 0 CEAARM Cc1cccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)c1 ZINC000072154362 176327935 /nfs/dbraw/zinc/32/79/35/176327935.db2.gz MBPQZQZGGKMBFO-UHFFFAOYSA-N -1 0 299.374 2.225 50 0 CEAARM CN(CC(=O)[O-])c1ccc(C(F)(F)F)cc1C=O ZINC000072266331 176352165 /nfs/dbraw/zinc/35/21/65/176352165.db2.gz CYOITVYIQFZMNI-UHFFFAOYSA-N -1 0 261.199 2.039 50 0 CEAARM CCc1cccc2sc(N(C)CC(=O)[O-])nc21 ZINC000074934171 176637241 /nfs/dbraw/zinc/63/72/41/176637241.db2.gz HJLSDNDOQJXTQA-UHFFFAOYSA-N -1 0 250.323 2.380 50 0 CEAARM COCCCNc1ncc(C(=O)[O-])c(-c2ccccc2)n1 ZINC000075166011 176670744 /nfs/dbraw/zinc/67/07/44/176670744.db2.gz KSKAUSFGXMHXBW-UHFFFAOYSA-N -1 0 287.319 2.290 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004284529 287731038 /nfs/dbraw/zinc/73/10/38/287731038.db2.gz JSHXJPFZKBRLFU-JQWIXIFHSA-N -1 0 265.309 2.412 50 0 CEAARM CC(=O)n1c(C)c2c3c1cccc3C(=O)C[C@@H]2C(=O)[O-] ZINC000034368702 278254264 /nfs/dbraw/zinc/25/42/64/278254264.db2.gz HIDCUYAJPSONRB-JTQLQIEISA-N -1 0 271.272 2.364 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@]2(C(F)(F)F)C[C@@]2(C(=O)[O-])C1 ZINC000101742474 278417724 /nfs/dbraw/zinc/41/77/24/278417724.db2.gz BQIBSJZJPSLICJ-QWRGUYRKSA-N -1 0 295.257 2.261 50 0 CEAARM CC(C)=CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250531773 278658610 /nfs/dbraw/zinc/65/86/10/278658610.db2.gz UJSAZMMCLBAKRM-TUAOUCFPSA-N -1 0 251.326 2.197 50 0 CEAARM CC(C)CN1C(=O)/C(=C/C(=O)[O-])c2cccc(F)c21 ZINC000049111606 278864795 /nfs/dbraw/zinc/86/47/95/278864795.db2.gz RCVZUIGCNAAMIC-UXBLZVDNSA-N -1 0 263.268 2.296 50 0 in-vitro CEAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000299750380 289586620 /nfs/dbraw/zinc/58/66/20/289586620.db2.gz NHORRHGAGGURMW-QWRGUYRKSA-N -1 0 281.739 2.377 50 0 CEAARM COc1ccc(C(=O)[O-])nc1-c1cccc2c1OCC2 ZINC000219470162 295099391 /nfs/dbraw/zinc/09/93/91/295099391.db2.gz ZCSFPFYLARJKMO-UHFFFAOYSA-N -1 0 271.272 2.390 50 0 CEAARM COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000002577616 295374746 /nfs/dbraw/zinc/37/47/46/295374746.db2.gz ZOXKNVCXIKCYPF-QOBDMFJFSA-N -1 0 287.315 2.157 50 0 CEAARM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccsc1 ZINC000136486882 298023313 /nfs/dbraw/zinc/02/33/13/298023313.db2.gz ODAPTDKJFWLHEH-ONGXEEELSA-N -1 0 267.350 2.317 50 0 CEAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(C(N)=O)cc1 ZINC000067867241 301154859 /nfs/dbraw/zinc/15/48/59/301154859.db2.gz GEOOCCQZEHEAAP-UHFFFAOYSA-N -1 0 255.273 2.459 50 0 CEAARM Cn1nc(Br)c2ccc(C(=O)[O-])cc21 ZINC000095743257 303040673 /nfs/dbraw/zinc/04/06/73/303040673.db2.gz DMDCLOZQWPLXRK-UHFFFAOYSA-N -1 0 255.071 2.034 50 0 CEAARM O=C([O-])[C@@H](CNC(=O)c1cccc2c1CCC2)CC1CC1 ZINC000571451691 314090756 /nfs/dbraw/zinc/09/07/56/314090756.db2.gz BKPLFGHCANVJJJ-CYBMUJFWSA-N -1 0 287.359 2.406 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccn1C1CC1 ZINC000315559935 328448182 /nfs/dbraw/zinc/44/81/82/328448182.db2.gz OCGJFJJNIOCPBJ-AWEZNQCLSA-N -1 0 298.342 2.249 50 0 CEAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000001081339 326793305 /nfs/dbraw/zinc/79/33/05/326793305.db2.gz UZCCJRDJRMVGLU-OAHLLOKOSA-N -1 0 277.320 2.437 50 0 CEAARM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])[C@@H](c2ccco2)C1 ZINC000268943132 330067095 /nfs/dbraw/zinc/06/70/95/330067095.db2.gz LCJSRNBZOOJSCP-DDHJBXDOSA-N -1 0 277.320 2.300 50 0 CEAARM C/C(=C/C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000236630001 518410657 /nfs/dbraw/zinc/41/06/57/518410657.db2.gz KCEZJLRGWFOALU-ABRRARGCSA-N -1 0 295.285 2.301 50 0 CEAARM C/C(=C/C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000236630237 518410692 /nfs/dbraw/zinc/41/06/92/518410692.db2.gz IEILCGRMIFWMDW-HIJJYWJESA-N -1 0 277.295 2.162 50 0 CEAARM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000155802900 524693926 /nfs/dbraw/zinc/69/39/26/524693926.db2.gz ARPKNCZHIWAOFO-MFKMUULPSA-N -1 0 279.311 2.080 50 0 CEAARM O=C([O-])c1ccc(F)c(NC(=O)[C@@H]2CCCCO2)c1 ZINC000050959441 526370983 /nfs/dbraw/zinc/37/09/83/526370983.db2.gz UNHRPZMJFBHBES-NSHDSACASA-N -1 0 267.256 2.032 50 0 CEAARM O=C([O-])C1(C(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000154904921 527551227 /nfs/dbraw/zinc/55/12/27/527551227.db2.gz XPYWMXDOUTUIDF-UHFFFAOYSA-N -1 0 277.345 2.229 50 0 CEAARM O=C([O-])C[C@H]1CCCCN(Cc2ccccc2)C1=O ZINC000169749865 639633791 /nfs/dbraw/zinc/63/37/91/639633791.db2.gz HLVOMXWQHQYFKX-CYBMUJFWSA-N -1 0 261.321 2.290 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000133972841 802651860 /nfs/dbraw/zinc/65/18/60/802651860.db2.gz UYBVBOASUUTFDS-NSHDSACASA-N -1 0 293.319 2.237 50 0 CEAARM O=C([O-])c1cncc(-c2ccccc2CN2CCOCC2)c1 ZINC000032597645 807458284 /nfs/dbraw/zinc/45/82/84/807458284.db2.gz IESYXMFWDGBSEW-UHFFFAOYSA-N -1 0 298.342 2.279 50 0 CEAARM CCc1nc(=NCCc2ccc3n[nH]cc3c2)s[n-]1 ZINC000585092140 813672678 /nfs/dbraw/zinc/67/26/78/813672678.db2.gz GQEKRABBBJTIMU-UHFFFAOYSA-N -1 0 273.365 2.053 50 0 CEAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000097018265 230386579 /nfs/dbraw/zinc/38/65/79/230386579.db2.gz POXSUFQPXAPDCB-SMDDNHRTSA-N -1 0 284.315 2.273 50 0 CEAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000097018262 230386655 /nfs/dbraw/zinc/38/66/55/230386655.db2.gz POXSUFQPXAPDCB-FZMZJTMJSA-N -1 0 284.315 2.273 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000269203437 190476483 /nfs/dbraw/zinc/47/64/83/190476483.db2.gz SGPJOOBJHKHFAK-OPRDCNLKSA-N -1 0 295.285 2.001 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000095939331 185035338 /nfs/dbraw/zinc/03/53/38/185035338.db2.gz MJHMQSATIKIYNG-UHFFFAOYSA-N -1 0 289.360 2.075 50 0 CEAARM Cc1ccsc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961751 185044831 /nfs/dbraw/zinc/04/48/31/185044831.db2.gz FJYBTCQQFZJQPN-IUCAKERBSA-N -1 0 253.323 2.040 50 0 CEAARM O=C([O-])CCOc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC000095976022 185051213 /nfs/dbraw/zinc/05/12/13/185051213.db2.gz AZRNAXICUZHRGY-UHFFFAOYSA-N -1 0 283.287 2.478 50 0 CEAARM COc1cccc(SCC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000033449337 361781114 /nfs/dbraw/zinc/78/11/14/361781114.db2.gz YNIPSGYVOBWCIE-CYBMUJFWSA-N -1 0 297.376 2.013 50 0 CEAARM CCOc1ccccc1-c1nc(CC(=O)[N-]OC)cs1 ZINC000032882420 361761532 /nfs/dbraw/zinc/76/15/32/361761532.db2.gz 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188168110 /nfs/dbraw/zinc/16/81/10/188168110.db2.gz HCNSMQPWFUSJMZ-CABCVRRESA-N -1 0 296.326 2.451 50 0 CEAARM O=C([O-])C1=NN(c2ccccc2C(F)(F)F)C(=O)CC1 ZINC000003887005 304036324 /nfs/dbraw/zinc/03/63/24/304036324.db2.gz IKQXEWZEWGBYAT-UHFFFAOYSA-N -1 0 286.209 2.273 50 0 CEAARM CC(C)(O)c1ccc(-c2cnc(C(=O)[O-])nc2)cc1 ZINC000675070217 540111989 /nfs/dbraw/zinc/11/19/89/540111989.db2.gz RTKWEZUXUCLQLS-UHFFFAOYSA-N -1 0 258.277 2.069 50 0 CEAARM CC(C)Oc1cncc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675070426 540112994 /nfs/dbraw/zinc/11/29/94/540112994.db2.gz YGKMAFNSRHQGLX-UHFFFAOYSA-N -1 0 259.265 2.024 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1scnc1C(C)(C)C ZINC000184901613 283111510 /nfs/dbraw/zinc/11/15/10/283111510.db2.gz ZYUKARLOGBIELL-UHFFFAOYSA-N -1 0 284.381 2.377 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1OC(F)F ZINC000252445729 299237624 /nfs/dbraw/zinc/23/76/24/299237624.db2.gz DVBADXMIXQRGET-UJNFCWOMSA-N -1 0 299.273 2.186 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 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CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC000223380801 540534754 /nfs/dbraw/zinc/53/47/54/540534754.db2.gz VYIUIMHIQSRKOK-KBPBESRZSA-N -1 0 275.348 2.113 50 0 CEAARM CC(C)Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000144473 361134539 /nfs/dbraw/zinc/13/45/39/361134539.db2.gz BYGOMSLCTBRKDL-UHFFFAOYSA-N -1 0 251.282 2.277 50 0 CEAARM COc1cc(CO)c(C2(C(=O)[O-])CCCC2)cc1OC ZINC000000174642 361140332 /nfs/dbraw/zinc/14/03/32/361140332.db2.gz UCJNTMJYMJFWNX-UHFFFAOYSA-N -1 0 280.320 2.093 50 0 CEAARM Nc1c(Br)cc(Br)cc1C(=O)[O-] ZINC000000056723 361122547 /nfs/dbraw/zinc/12/25/47/361122547.db2.gz WNABMWFLKQEGCP-UHFFFAOYSA-N -1 0 294.930 2.492 50 0 in-vitro CEAARM O=C(Nc1ccccc1)c1n[n-]n(-c2ccccc2)c1=O ZINC000001418457 361204740 /nfs/dbraw/zinc/20/47/40/361204740.db2.gz SRYMRYNHMKFTPQ-UHFFFAOYSA-N -1 0 280.287 2.225 50 0 CEAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000000428608 361174072 /nfs/dbraw/zinc/17/40/72/361174072.db2.gz JFCMYDWIYWRXBY-UHFFFAOYSA-N -1 0 295.364 2.226 50 0 CEAARM O=C([O-])c1ccc(COc2ccccc2CO)cc1 ZINC000000470030 361178414 /nfs/dbraw/zinc/17/84/14/361178414.db2.gz YURUZONUMKKFAE-UHFFFAOYSA-N -1 0 258.273 2.456 50 0 CEAARM O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000477409 361179421 /nfs/dbraw/zinc/17/94/21/361179421.db2.gz YGCXUACTJKGSCX-UHFFFAOYSA-N -1 0 285.255 2.366 50 0 CEAARM CC1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000000478054 361179442 /nfs/dbraw/zinc/17/94/42/361179442.db2.gz RRRVWTBLNFKZEE-NWDGAFQWSA-N -1 0 253.342 2.136 50 0 CEAARM Cc1ccccc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000000617749 361191498 /nfs/dbraw/zinc/19/14/98/361191498.db2.gz DFSQRMYAKQBREU-UHFFFAOYSA-N -1 0 275.329 2.114 50 0 CEAARM COC(=O)[C@H](CC(C)C)[N-]C(=O)C(Cl)(Cl)Cl ZINC000002739631 361247803 /nfs/dbraw/zinc/24/78/03/361247803.db2.gz LSLUVMPFLQPXQH-LURJTMIESA-N -1 0 290.574 2.061 50 0 CEAARM C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002124492 361227889 /nfs/dbraw/zinc/22/78/89/361227889.db2.gz GXAYSHPZKIBHGY-MRVPVSSYSA-N -1 0 274.272 2.134 50 0 CEAARM CCOC(=O)[C@H](CC(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000002163719 361229223 /nfs/dbraw/zinc/22/92/23/361229223.db2.gz WTGXEUPAOWVTTM-ZWNOBZJWSA-N -1 0 280.320 2.453 50 0 CEAARM COc1ccc(-c2noc(CCCC(=O)[O-])n2)cc1OC ZINC000002204783 361230505 /nfs/dbraw/zinc/23/05/05/361230505.db2.gz WYCWGRMUWVQULV-UHFFFAOYSA-N -1 0 292.291 2.161 50 0 CEAARM O=C([O-])COc1c(F)c(F)c(Cl)c(F)c1F ZINC000002476931 361235724 /nfs/dbraw/zinc/23/57/24/361235724.db2.gz ZIVQWCGNAZDXRL-UHFFFAOYSA-N -1 0 258.554 2.360 50 0 CEAARM COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002539214 361239310 /nfs/dbraw/zinc/23/93/10/361239310.db2.gz SLWWWZWJISHVOU-LBPRGKRZSA-N -1 0 295.335 2.216 50 0 CEAARM O=C([O-])Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000002549564 361239390 /nfs/dbraw/zinc/23/93/90/361239390.db2.gz HLIPUVSMEOUMIU-UHFFFAOYSA-N -1 0 260.574 2.496 50 0 CEAARM Nc1cn(Cc2cccc(C(=O)[O-])c2)nc1C(F)(F)F ZINC000002537438 361239899 /nfs/dbraw/zinc/23/98/99/361239899.db2.gz IFJBIRQVTXAGAU-UHFFFAOYSA-N -1 0 285.225 2.231 50 0 CEAARM O=C([O-])C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000002577452 361241565 /nfs/dbraw/zinc/24/15/65/361241565.db2.gz IUYVTLSEDKQGQY-GFCCVEGCSA-N -1 0 263.293 2.120 50 0 CEAARM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000002656165 361242973 /nfs/dbraw/zinc/24/29/73/361242973.db2.gz ODHGDCMMIGKPGS-NSHDSACASA-N -1 0 297.376 2.256 50 0 CEAARM O=C([O-])/C(=C\c1cccs1)n1nnnc1-c1ccccc1 ZINC000003887875 361293063 /nfs/dbraw/zinc/29/30/63/361293063.db2.gz QFQXXYIFABZRMF-FMIVXFBMSA-N -1 0 298.327 2.484 50 0 CEAARM CC(C)(C)NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000002877602 361256578 /nfs/dbraw/zinc/25/65/78/361256578.db2.gz NWTQSSSQLHXHAR-UHFFFAOYSA-N -1 0 292.335 2.018 50 0 CEAARM O=C([O-])CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000004542692 361321269 /nfs/dbraw/zinc/32/12/69/361321269.db2.gz LMVWWBYRUKIFOR-UHFFFAOYSA-N -1 0 279.679 2.414 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000237053130 370684814 /nfs/dbraw/zinc/68/48/14/370684814.db2.gz DHSGQLQICDGXKW-KBPBESRZSA-N -1 0 275.348 2.422 50 0 CEAARM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000237148607 370694258 /nfs/dbraw/zinc/69/42/58/370694258.db2.gz XEJVVVLWOWXWCT-JGVFFNPUSA-N -1 0 285.702 2.126 50 0 CEAARM CC(C)Oc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000010715427 361354401 /nfs/dbraw/zinc/35/44/01/361354401.db2.gz MOFFPUVJMPWQDG-UHFFFAOYSA-N -1 0 251.282 2.277 50 0 CEAARM COC(=O)c1ccc(CSc2n[n-]c(=S)s2)o1 ZINC000012483346 361387210 /nfs/dbraw/zinc/38/72/10/361387210.db2.gz NQKJCPUZVXUGJR-UHFFFAOYSA-N -1 0 288.375 2.499 50 0 CEAARM Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013340254 361426102 /nfs/dbraw/zinc/42/61/02/361426102.db2.gz ZQSGJNZTMWATMJ-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM O=C([O-])Cc1csc(NC(=O)Cc2ccc(F)cc2)n1 ZINC000013405998 361428222 /nfs/dbraw/zinc/42/82/22/361428222.db2.gz MBNYKHZMDDMLCB-UHFFFAOYSA-N -1 0 294.307 2.091 50 0 CEAARM CCCCCNC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000015996529 361481895 /nfs/dbraw/zinc/48/18/95/361481895.db2.gz NEWSLBHINDSRQZ-CYBMUJFWSA-N -1 0 278.352 2.172 50 0 CEAARM CC(C)[C@@H](NC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000015970199 361482178 /nfs/dbraw/zinc/48/21/78/361482178.db2.gz HKEVUDPCJJUDCM-SNVBAGLBSA-N -1 0 254.261 2.056 50 0 CEAARM CC(=O)C=C(C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000017528327 361511517 /nfs/dbraw/zinc/51/15/17/361511517.db2.gz HEBNEQXWFBLWSC-VSGCLNPGSA-N -1 0 286.331 2.246 50 0 CEAARM CC/C=C(\C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000019514918 361541683 /nfs/dbraw/zinc/54/16/83/361541683.db2.gz FHHLWGZNHDUHBG-MUAYPFOZSA-N -1 0 273.332 2.381 50 0 CEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000020614477 361583798 /nfs/dbraw/zinc/58/37/98/361583798.db2.gz NCRKKEBCLAMFKA-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(O)c1 ZINC000029011355 361680087 /nfs/dbraw/zinc/68/00/87/361680087.db2.gz BQNKTOQJEAHXEK-UHFFFAOYSA-N -1 0 251.282 2.222 50 0 CEAARM Cn1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1=O ZINC000089756708 363998813 /nfs/dbraw/zinc/99/88/13/363998813.db2.gz IVWBZFXJOUJBNM-UHFFFAOYSA-N -1 0 296.685 2.136 50 0 CEAARM C[C@H](OCC1CC1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237566152 370732999 /nfs/dbraw/zinc/73/29/99/370732999.db2.gz FIZLYLAXSUQAMZ-AAEUAGOBSA-N -1 0 283.368 2.047 50 0 CEAARM CSC[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237354301 370714842 /nfs/dbraw/zinc/71/48/42/370714842.db2.gz OSLQFYSAQAKVOF-MNOVXSKESA-N -1 0 273.398 2.089 50 0 CEAARM CSCCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237493075 370726759 /nfs/dbraw/zinc/72/67/59/370726759.db2.gz HQLKJUOIXCNWRE-NSHDSACASA-N -1 0 273.398 2.376 50 0 CEAARM Cn1c(CN2CCC[C@@H]2C(=O)[O-])nc2cc(Cl)ccc21 ZINC000237741316 370747916 /nfs/dbraw/zinc/74/79/16/370747916.db2.gz XIZSKGNWBVVQEQ-GFCCVEGCSA-N -1 0 293.754 2.276 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000238216412 370773997 /nfs/dbraw/zinc/77/39/97/370773997.db2.gz VHFOLUNKKSSOOV-CHWSQXEVSA-N -1 0 259.305 2.047 50 0 CEAARM CC1(C)[C@]2(CC[C@H]2C(=O)NCc2ccco2)[C@@]1(C)C(=O)[O-] ZINC000239433749 370777314 /nfs/dbraw/zinc/77/73/14/370777314.db2.gz YKDHCCFJXBEINY-KNXALSJPSA-N -1 0 291.347 2.423 50 0 CEAARM COc1cc(Br)ccc1CCC(=O)[O-] ZINC000095348036 364341811 /nfs/dbraw/zinc/34/18/11/364341811.db2.gz BPPNXHOUQPFBCW-UHFFFAOYSA-N -1 0 259.099 2.475 50 0 CEAARM Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)[O-] ZINC000095218339 364341949 /nfs/dbraw/zinc/34/19/49/364341949.db2.gz STCIXWLFZGDZGX-RXMQYKEDSA-N -1 0 250.220 2.250 50 0 CEAARM O=C([O-])c1cncnc1N1CCC(c2cccc(O)c2)CC1 ZINC000095353565 364342622 /nfs/dbraw/zinc/34/26/22/364342622.db2.gz REHZYALYJMJZAZ-UHFFFAOYSA-N -1 0 299.330 2.264 50 0 CEAARM Cc1ccc([C@H](C(=O)[O-])N(C)Cc2cnn(C)c2)c(C)c1 ZINC000095359965 364344918 /nfs/dbraw/zinc/34/49/18/364344918.db2.gz XMJPNHQLXIWAKF-OAHLLOKOSA-N -1 0 287.363 2.295 50 0 CEAARM CN(Cc1ncc[nH]1)[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000095371222 364349462 /nfs/dbraw/zinc/34/94/62/364349462.db2.gz MPNGIICYZAVTCX-LBPRGKRZSA-N -1 0 297.717 2.460 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000097018329 364427401 /nfs/dbraw/zinc/42/74/01/364427401.db2.gz XXFMPTPJRPHNHX-RISCZKNCSA-N -1 0 284.315 2.273 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000084592740 304116944 /nfs/dbraw/zinc/11/69/44/304116944.db2.gz CHOZJDBEIJIFMS-GHMZBOCLSA-N -1 0 253.342 2.326 50 0 CEAARM CO[C@H]1CC[C@H](NC(=O)c2ccc(F)cc2[O-])CC1 ZINC000244701088 370796009 /nfs/dbraw/zinc/79/60/09/370796009.db2.gz JZZUTOFKKFDPRM-XYPYZODXSA-N -1 0 267.300 2.219 50 0 CEAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc[nH]c(=O)c1 ZINC000163707836 367259788 /nfs/dbraw/zinc/25/97/88/367259788.db2.gz HWBFRAQTLBZQRU-UHFFFAOYSA-N -1 0 287.300 2.057 50 0 CEAARM CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000167988589 367344580 /nfs/dbraw/zinc/34/45/80/367344580.db2.gz XHIGERJLTCYABW-NXEZZACHSA-N -1 0 257.330 2.402 50 0 CEAARM Cn1c(Cl)c(Cl)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000164890811 367299448 /nfs/dbraw/zinc/29/94/48/367299448.db2.gz BHAUOGGEUKZXLX-UHFFFAOYSA-N -1 0 291.134 2.069 50 0 CEAARM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc[nH]1)C(=O)[O-] ZINC000170044321 367374547 /nfs/dbraw/zinc/37/45/47/367374547.db2.gz FLQCXESBTQFFGW-GFCCVEGCSA-N -1 0 286.331 2.378 50 0 CEAARM Cc1nn(C)cc1[C@H](C)NC(=O)c1cc(F)ccc1O ZINC000175217707 368114533 /nfs/dbraw/zinc/11/45/33/368114533.db2.gz DZGQNEOAICJTRT-QMMMGPOBSA-N -1 0 277.299 2.064 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccsc1 ZINC000225570851 304138784 /nfs/dbraw/zinc/13/87/84/304138784.db2.gz VEIPYOZXUOEGAZ-HBNTYKKESA-N -1 0 265.334 2.132 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccco1 ZINC000013225138 304142495 /nfs/dbraw/zinc/14/24/95/304142495.db2.gz FMFZYAAQXTYAHS-DCAQKATOSA-N -1 0 263.293 2.138 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)Cc1ccccc1C ZINC000348960185 369210227 /nfs/dbraw/zinc/21/02/27/369210227.db2.gz BQZOAPDZQRPJKN-LBPRGKRZSA-N -1 0 299.392 2.010 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccco1 ZINC000240407448 304149741 /nfs/dbraw/zinc/14/97/41/304149741.db2.gz FMFZYAAQXTYAHS-MXWKQRLJSA-N -1 0 263.293 2.138 50 0 CEAARM COc1cc(OC)cc(-c2nc(C)[n-]c(=O)c2Cl)c1 ZINC000215173695 370172691 /nfs/dbraw/zinc/17/26/91/370172691.db2.gz QZMFOILMORBHCJ-UHFFFAOYSA-N -1 0 280.711 2.416 50 0 CEAARM C/C=C(\C)C(=O)NC[C@H](Cc1ccccc1C)C(=O)[O-] ZINC000221726065 370245007 /nfs/dbraw/zinc/24/50/07/370245007.db2.gz BDMXNIOOEHEJSJ-BJTBTHHMSA-N -1 0 275.348 2.321 50 0 CEAARM CCN(CC(=O)Nc1c(C)cccc1C)[C@@H](C)C(=O)[O-] ZINC000225479555 370298547 /nfs/dbraw/zinc/29/85/47/370298547.db2.gz RGYLINUKFPQPNN-LBPRGKRZSA-N -1 0 278.352 2.037 50 0 CEAARM CC1CCC(=CC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000236655083 370604085 /nfs/dbraw/zinc/60/40/85/370604085.db2.gz LXBCEOZVEGUYRD-UHFFFAOYSA-N -1 0 265.353 2.446 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)C2Cc3ccccc3C2)C1 ZINC000235403516 370564773 /nfs/dbraw/zinc/56/47/73/370564773.db2.gz KEEHKNOLERNZSH-QGZVFWFLSA-N -1 0 287.359 2.115 50 0 CEAARM CC(C)OCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236786668 370627202 /nfs/dbraw/zinc/62/72/02/370627202.db2.gz TVQVQHPXGZSBFL-LBPRGKRZSA-N -1 0 271.357 2.047 50 0 CEAARM CC(C)(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000236693980 370610283 /nfs/dbraw/zinc/61/02/83/370610283.db2.gz AEQIVFRDIAMCOY-MRXNPFEDSA-N -1 0 293.338 2.427 50 0 CEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000251254436 371398749 /nfs/dbraw/zinc/39/87/49/371398749.db2.gz UXWAENUOCBLSRA-TUAOUCFPSA-N -1 0 277.320 2.446 50 0 CEAARM CC(=NN=C1NC(=O)[C@@H](CC(=O)[O-])S1)C(C)(C)C ZINC000252604100 371459388 /nfs/dbraw/zinc/45/93/88/371459388.db2.gz FWJVXZZMADFVRV-SSDOTTSWSA-N -1 0 271.342 2.311 50 0 CEAARM CC(C)(C)OC(=O)N1CCC([C@H](F)C(=O)[O-])CC1 ZINC000258420739 371617215 /nfs/dbraw/zinc/61/72/15/371617215.db2.gz GHBHSIVIQUFUKJ-VIFPVBQESA-N -1 0 261.293 2.056 50 0 CEAARM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262060222 371815693 /nfs/dbraw/zinc/81/56/93/371815693.db2.gz CZVNEBQDESLAEF-PKINLEFWSA-N -1 0 291.322 2.286 50 0 CEAARM C[C@]1(C(=O)Nc2cc(C(=O)[O-])ccc2F)CCCOC1 ZINC000263552979 371940185 /nfs/dbraw/zinc/94/01/85/371940185.db2.gz XIIXNXMQPBNZKO-AWEZNQCLSA-N -1 0 281.283 2.279 50 0 CEAARM O=C([O-])CC1CCN(C(=O)CCC2CCC2)CC1 ZINC000262842312 371913381 /nfs/dbraw/zinc/91/33/81/371913381.db2.gz ALWSYUVEMJKJSE-UHFFFAOYSA-N -1 0 253.342 2.280 50 0 CEAARM O=C([O-])c1ccc(CCC(=O)N2CCC=C(F)C2)cc1 ZINC000262838108 371913825 /nfs/dbraw/zinc/91/38/25/371913825.db2.gz RTAFYOBYUUWXQF-UHFFFAOYSA-N -1 0 277.295 2.403 50 0 CEAARM C[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237527394 189879965 /nfs/dbraw/zinc/87/99/65/189879965.db2.gz DYIBUEAWEPFXBH-ZWNOBZJWSA-N -1 0 279.311 2.395 50 0 CEAARM Cc1c(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])oc2ccc(F)cc12 ZINC000268888269 372272749 /nfs/dbraw/zinc/27/27/49/372272749.db2.gz DDRLSLGFPSFURW-QWRGUYRKSA-N -1 0 291.278 2.217 50 0 CEAARM Cc1ccc2nc(C)c(C(=O)NC3(C(=O)[O-])CC3)cc2c1 ZINC000237898978 189892703 /nfs/dbraw/zinc/89/27/03/189892703.db2.gz DAEVMBDKISAEHS-UHFFFAOYSA-N -1 0 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CEAARM CC[C@H](OC1CCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136135662 187866094 /nfs/dbraw/zinc/86/60/94/187866094.db2.gz DQFOWBMZMBPFQU-YPMHNXCESA-N -1 0 283.368 2.047 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)c1 ZINC000154888928 188168022 /nfs/dbraw/zinc/16/80/22/188168022.db2.gz HCNSMQPWFUSJMZ-GJZGRUSLSA-N -1 0 296.326 2.451 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2cccc(F)c2Cl)CC1 ZINC000156911268 188288021 /nfs/dbraw/zinc/28/80/21/188288021.db2.gz GBGYGWGXTMHOFZ-UHFFFAOYSA-N -1 0 285.702 2.416 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)c1cccc(F)c1Cl ZINC000157379539 188314000 /nfs/dbraw/zinc/31/40/00/188314000.db2.gz WBVWQFJYTKFFNQ-UHFFFAOYSA-N -1 0 273.691 2.416 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C2(CCC2)C1 ZINC000575447701 366289894 /nfs/dbraw/zinc/28/98/94/366289894.db2.gz JRJNPYDJNKNDJO-VIFPVBQESA-N -1 0 255.314 2.108 50 0 CEAARM O=S(=O)([N-]c1cccc2[nH]cnc21)c1cccs1 ZINC000076061727 363513190 /nfs/dbraw/zinc/51/31/90/363513190.db2.gz SBMUHYXONVOXHB-UHFFFAOYSA-N -1 0 279.346 2.425 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H](O)C2CCCCC2)C1 ZINC000263439082 304063391 /nfs/dbraw/zinc/06/33/91/304063391.db2.gz PHJBKTDITFPGFM-DOMZBBRYSA-N -1 0 297.395 2.031 50 0 CEAARM O=C([O-])CNc1nc(C(F)(F)F)nc2ccccc21 ZINC000011768170 304069723 /nfs/dbraw/zinc/06/97/23/304069723.db2.gz BTRMSWZRDKORIF-UHFFFAOYSA-N -1 0 271.198 2.145 50 0 CEAARM O=C([O-])CSCC(=O)Nc1cccc(Cl)c1F ZINC000006847327 304072643 /nfs/dbraw/zinc/07/26/43/304072643.db2.gz CMVHERBGJNDSHL-UHFFFAOYSA-N -1 0 277.704 2.235 50 0 CEAARM O=C([O-])C[C@H](NC(=O)C1CCCCCC1)C1CC1 ZINC000097022291 304081785 /nfs/dbraw/zinc/08/17/85/304081785.db2.gz XIRIASYYMHTQCJ-LBPRGKRZSA-N -1 0 253.342 2.326 50 0 CEAARM O=C([O-])Cc1c(F)cc(Br)cc1F ZINC000002243326 304087771 /nfs/dbraw/zinc/08/77/71/304087771.db2.gz GBFFYYLXGIHKLU-UHFFFAOYSA-N -1 0 251.026 2.354 50 0 in-vitro CEAARM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000155802783 296005413 /nfs/dbraw/zinc/00/54/13/296005413.db2.gz ARPKNCZHIWAOFO-GWCFXTLKSA-N -1 0 279.311 2.080 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2sccc2C2CC2)C1 ZINC000299742768 200852789 /nfs/dbraw/zinc/85/27/89/200852789.db2.gz KEVJPVNNXCFXGO-VIFPVBQESA-N -1 0 265.334 2.172 50 0 CEAARM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)CC(=O)[O-])cc1 ZINC000299749615 200856688 /nfs/dbraw/zinc/85/66/88/200856688.db2.gz KZNHVSGRKFMRFA-ZFWWWQNUSA-N -1 0 291.347 2.006 50 0 CEAARM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccccc1F ZINC000000182521 361141647 /nfs/dbraw/zinc/14/16/47/361141647.db2.gz IMPPNVOUPGNEAN-UHFFFAOYSA-N -1 0 297.289 2.228 50 0 CEAARM CCOc1ccccc1[C@H]1SC[C@@H](C(=O)[O-])N1C(C)=O ZINC000000214953 361147376 /nfs/dbraw/zinc/14/73/76/361147376.db2.gz CIKHVOJUMUDRPU-WCQYABFASA-N -1 0 295.360 2.132 50 0 CEAARM Cc1cccc(NC(=O)c2ccccc2C(=O)[O-])n1 ZINC000000249013 361151281 /nfs/dbraw/zinc/15/12/81/361151281.db2.gz NDIMSWFALAOKTI-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000269466 361153993 /nfs/dbraw/zinc/15/39/93/361153993.db2.gz WSXUCWDHQOSETM-UONOGXRCSA-N -1 0 293.338 2.375 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1 ZINC000000074231 361123822 /nfs/dbraw/zinc/12/38/22/361123822.db2.gz WMACFMOMYRKMOJ-LURJTMIESA-N -1 0 274.103 2.431 50 0 CEAARM CCc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000571012 361188222 /nfs/dbraw/zinc/18/82/22/361188222.db2.gz QFKCEHLRISHVQY-UHFFFAOYSA-N -1 0 262.334 2.445 50 0 CEAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000000618967 361191145 /nfs/dbraw/zinc/19/11/45/361191145.db2.gz KLGSMDCLIJRNPU-UHFFFAOYSA-N -1 0 262.334 2.499 50 0 CEAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000887303 361194724 /nfs/dbraw/zinc/19/47/24/361194724.db2.gz VHQWMWGEVQXGBR-UHFFFAOYSA-N -1 0 278.333 2.281 50 0 CEAARM O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccccc3)o2)N1 ZINC000000368222 361165888 /nfs/dbraw/zinc/16/58/88/361165888.db2.gz SIDHXKDTMYTVJC-DHZHZOJOSA-N -1 0 254.245 2.127 50 0 CEAARM CC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000002750214 361247551 /nfs/dbraw/zinc/24/75/51/361247551.db2.gz KUTQRPSOIXBGBT-UONOGXRCSA-N -1 0 287.315 2.495 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCCc1ccccc1 ZINC000002754039 361247844 /nfs/dbraw/zinc/24/78/44/361247844.db2.gz FLPWPJHCBYPVKL-CABCVRRESA-N -1 0 287.359 2.402 50 0 CEAARM CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001675889 361215909 /nfs/dbraw/zinc/21/59/09/361215909.db2.gz FPKHNNQXKZMOJJ-NSHDSACASA-N -1 0 283.349 2.119 50 0 CEAARM O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccccc1 ZINC000001672832 361216645 /nfs/dbraw/zinc/21/66/45/361216645.db2.gz BENAOQZABXENIF-UHFFFAOYSA-N -1 0 277.301 2.186 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccoc1 ZINC000002389096 361234333 /nfs/dbraw/zinc/23/43/33/361234333.db2.gz JMRUMNAUPGNUDB-VIFPVBQESA-N -1 0 255.270 2.320 50 0 CEAARM CC(C)C[C@H](NC(=O)NCc1cccs1)C(=O)[O-] ZINC000002418108 361234411 /nfs/dbraw/zinc/23/44/11/361234411.db2.gz OGMVFRHTZAIHKY-JTQLQIEISA-N -1 0 270.354 2.047 50 0 CEAARM CC(C(=O)[N-]C1=NCCS1)(C(F)(F)F)C(F)(F)F ZINC000002491218 361235686 /nfs/dbraw/zinc/23/56/86/361235686.db2.gz NUNSXOVYKBRABQ-UHFFFAOYSA-N -1 0 294.220 2.336 50 0 CEAARM Nc1cn(Cc2ccc(C(=O)[O-])cc2)nc1C(F)(F)F ZINC000002537437 361239696 /nfs/dbraw/zinc/23/96/96/361239696.db2.gz CNLRVYWKGPRVJM-UHFFFAOYSA-N -1 0 285.225 2.231 50 0 CEAARM O=C([O-])c1ccn(COc2ccc(F)c(Cl)c2)n1 ZINC000002535545 361239726 /nfs/dbraw/zinc/23/97/26/361239726.db2.gz JXBKDZQBVWHPQT-UHFFFAOYSA-N -1 0 270.647 2.410 50 0 CEAARM CC(C)(C)OC(=O)N1CSC(C)(C)[C@H]1C(=O)[O-] ZINC000002545156 361239963 /nfs/dbraw/zinc/23/99/63/361239963.db2.gz FZSPELSRTNXPPY-SSDOTTSWSA-N -1 0 261.343 2.160 50 0 CEAARM Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)[O-])cc1 ZINC000002626440 361243426 /nfs/dbraw/zinc/24/34/26/361243426.db2.gz TUWBPBMZCFQENP-UKTHLTGXSA-N -1 0 271.272 2.444 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000003880979 361293459 /nfs/dbraw/zinc/29/34/59/361293459.db2.gz XGKQMLSTYRYFML-UHFFFAOYSA-N -1 0 259.208 2.091 50 0 CEAARM O=C([O-])CCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000004325186 361312143 /nfs/dbraw/zinc/31/21/43/361312143.db2.gz BFSKGGPVYOCGLR-ZDUSSCGKSA-N -1 0 261.321 2.435 50 0 CEAARM O=C([O-])CCCNC(=S)Nc1ccc(F)cc1F ZINC000004376455 361315121 /nfs/dbraw/zinc/31/51/21/361315121.db2.gz XAFZVHCXNANPPV-UHFFFAOYSA-N -1 0 274.292 2.116 50 0 CEAARM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2Cl)[C@H]2CC[C@@H]1O2 ZINC000004671364 361325608 /nfs/dbraw/zinc/32/56/08/361325608.db2.gz IODONSYDQZOHBN-RHYQMDGZSA-N -1 0 295.722 2.157 50 0 CEAARM CC[C@@H](C)NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000012138858 361374425 /nfs/dbraw/zinc/37/44/25/361374425.db2.gz MKMVNBMNGNRVEW-SNVBAGLBSA-N -1 0 292.335 2.018 50 0 CEAARM COc1c2occc2c(OC)c(-c2ccnc(N)n2)c1[O-] ZINC000012296461 361377354 /nfs/dbraw/zinc/37/73/54/361377354.db2.gz OQLFNBGUDZMLNH-UHFFFAOYSA-N -1 0 287.275 2.195 50 0 CEAARM Cc1cccc(C)c1OCC(=O)NCCCCCC(=O)[O-] ZINC000012346143 361379484 /nfs/dbraw/zinc/37/94/84/361379484.db2.gz KGPWECYJBDIKIC-UHFFFAOYSA-N -1 0 293.363 2.443 50 0 CEAARM CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170310 361422506 /nfs/dbraw/zinc/42/25/06/361422506.db2.gz QKIBVFCQACGMJA-NSHDSACASA-N -1 0 277.320 2.022 50 0 CEAARM CCCSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000013957288 361446766 /nfs/dbraw/zinc/44/67/66/361446766.db2.gz RJMIDRUMGNJCOT-UHFFFAOYSA-N -1 0 262.334 2.440 50 0 CEAARM O=C([O-])c1cccc(OCC(=O)NCCc2ccccc2)c1 ZINC000013080017 361418565 /nfs/dbraw/zinc/41/85/65/361418565.db2.gz FGPMKHAQUPBFTL-UHFFFAOYSA-N -1 0 299.326 2.123 50 0 CEAARM CC(=O)Nc1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000016478954 361489209 /nfs/dbraw/zinc/48/92/09/361489209.db2.gz GCMMNPGKIIPXPC-UHFFFAOYSA-N -1 0 292.335 2.475 50 0 CEAARM CNc1nc(-c2ccc(OC)cc2)c(CC(=O)[O-])s1 ZINC000021948224 361585638 /nfs/dbraw/zinc/58/56/38/361585638.db2.gz VTNIKEFAYAHXDH-UHFFFAOYSA-N -1 0 278.333 2.488 50 0 CEAARM O=C([O-])[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000001503125 304110488 /nfs/dbraw/zinc/11/04/88/304110488.db2.gz RZGUAQHPDVTBPX-MRVPVSSYSA-N -1 0 274.242 2.401 50 0 CEAARM C[C@@H](OC1CCCCCC1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237392950 370717488 /nfs/dbraw/zinc/71/74/88/370717488.db2.gz BYKJEMHNXWATRC-NEPJUHHUSA-N -1 0 283.368 2.047 50 0 CEAARM C[C@H](CC(=O)N(CC(=O)[O-])C1CC1)c1ccccc1F ZINC000237508880 370728417 /nfs/dbraw/zinc/72/84/17/370728417.db2.gz VUEDKHKVARKGGF-SNVBAGLBSA-N -1 0 279.311 2.395 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000237943355 370761711 /nfs/dbraw/zinc/76/17/11/370761711.db2.gz OLUIMNMOXYGYHZ-LLVKDONJSA-N -1 0 267.350 2.004 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 ZINC000237952943 370763214 /nfs/dbraw/zinc/76/32/14/370763214.db2.gz XMNJVMRQSXIFIR-GWJCSSMESA-N -1 0 288.347 2.198 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000238077510 370769801 /nfs/dbraw/zinc/76/98/01/370769801.db2.gz IVSYLEQXMYCASR-BOLDSZDNSA-N -1 0 296.326 2.324 50 0 CEAARM CC(C)C[C@H](CNC(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000094702531 364288904 /nfs/dbraw/zinc/28/89/04/364288904.db2.gz SYHPFYIBBGQLFJ-GFCCVEGCSA-N -1 0 281.327 2.231 50 0 CEAARM O=C([O-])c1cc(NC(=O)C2CC=CC2)cc([N+](=O)[O-])c1 ZINC000095425135 364370699 /nfs/dbraw/zinc/37/06/99/364370699.db2.gz IEEQLGURNRWGDV-UHFFFAOYSA-N -1 0 276.248 2.198 50 0 CEAARM Cc1sc2ncn3c(CCCC(=O)[O-])nnc3c2c1C ZINC000095471890 364390383 /nfs/dbraw/zinc/39/03/83/364390383.db2.gz QOQFEOUGUGBMPE-UHFFFAOYSA-N -1 0 290.348 2.363 50 0 CEAARM COCCN(C)[C@@H](C(=O)[O-])c1ccccc1SC ZINC000095368329 364347664 /nfs/dbraw/zinc/34/76/64/364347664.db2.gz VIZLIUVYKKVMDA-GFCCVEGCSA-N -1 0 269.366 2.112 50 0 CEAARM C[C@@]1(C(=O)[O-])Oc2ccccc2N(Cc2ccccc2)C1=O ZINC000096517669 364424902 /nfs/dbraw/zinc/42/49/02/364424902.db2.gz WFDKTBGQIJJFGT-QGZVFWFLSA-N -1 0 297.310 2.456 50 0 CEAARM Cc1cc(CN(C)Cc2cccc(C(=O)[O-])n2)ccn1 ZINC000097528882 364508834 /nfs/dbraw/zinc/50/88/34/364508834.db2.gz KOFLNGQNZLSCEI-UHFFFAOYSA-N -1 0 271.320 2.115 50 0 CEAARM Cc1[nH]c(C(=O)[O-])c(C)c1-c1n[nH]c(C2CCOCC2)n1 ZINC000097288672 364489932 /nfs/dbraw/zinc/48/99/32/364489932.db2.gz RWMPELAENFYBOF-UHFFFAOYSA-N -1 0 290.323 2.009 50 0 CEAARM O=c1[n-][nH]cc1Sc1ncc(C(F)(F)F)cc1Cl ZINC000100915354 364552922 /nfs/dbraw/zinc/55/29/22/364552922.db2.gz FOMANDCTCYVDLW-ZCFIWIBFSA-N -1 0 295.673 2.330 50 0 CEAARM C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000241644369 370783141 /nfs/dbraw/zinc/78/31/41/370783141.db2.gz PQEYARFNCQVTHC-MPKXVKKWSA-N -1 0 293.338 2.374 50 0 CEAARM CCO[C@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000120824986 365482012 /nfs/dbraw/zinc/48/20/12/365482012.db2.gz LTCWWIGMQODJHL-JTQLQIEISA-N -1 0 267.300 2.172 50 0 CEAARM O=C([O-])CSc1ncn(-c2ccc(Cl)cc2)c1CO ZINC000170624842 367388545 /nfs/dbraw/zinc/38/85/45/367388545.db2.gz GTEJWLUGHBRNAZ-UHFFFAOYSA-N -1 0 298.751 2.195 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000262595417 304146505 /nfs/dbraw/zinc/14/65/05/304146505.db2.gz IRVLBHJWYCNCTL-KKZNHRDASA-N -1 0 295.722 2.001 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCOCC1 ZINC000192912736 369870275 /nfs/dbraw/zinc/87/02/75/369870275.db2.gz MLJDUSAXGPUGSA-STQMWFEESA-N -1 0 297.395 2.153 50 0 CEAARM CC/C=C(\C)C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000222058150 370249358 /nfs/dbraw/zinc/24/93/58/370249358.db2.gz QBAJWCCXANJLRC-KPKJPENVSA-N -1 0 261.321 2.456 50 0 CEAARM CC(C)Oc1cccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000236755799 370620032 /nfs/dbraw/zinc/62/00/32/370620032.db2.gz SMNYADFFLXHZGN-CQSZACIVSA-N -1 0 291.347 2.092 50 0 CEAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@H]31)[C@H]2Sc1ccccc1 ZINC000244787918 304162565 /nfs/dbraw/zinc/16/25/65/304162565.db2.gz QGDUFGHDYAYOLT-TXWLSFLZSA-N -1 0 290.340 2.039 50 0 CEAARM Cc1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1 ZINC000250890042 371393448 /nfs/dbraw/zinc/39/34/48/371393448.db2.gz BBOCNQLSCWDIGC-WCQGTBRESA-N -1 0 294.376 2.309 50 0 CEAARM C/C=C(\C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000254382901 371536003 /nfs/dbraw/zinc/53/60/03/371536003.db2.gz JQRDEKOCHMKVMY-ZZIPRTSTSA-N -1 0 251.326 2.197 50 0 CEAARM CCc1ccc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000237155469 189866063 /nfs/dbraw/zinc/86/60/63/189866063.db2.gz YLYSYUMFVCXWEL-MRXNPFEDSA-N -1 0 275.348 2.115 50 0 CEAARM O=C([O-])[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000038342443 304165209 /nfs/dbraw/zinc/16/52/09/304165209.db2.gz BXUSSTYMXIMALU-NSHDSACASA-N -1 0 269.709 2.353 50 0 CEAARM O=C([O-])c1ccc(NC(=O)CC2CCOCC2)c(F)c1 ZINC000261985491 371789528 /nfs/dbraw/zinc/78/95/28/371789528.db2.gz XABFJCOWBZINJC-UHFFFAOYSA-N -1 0 281.283 2.279 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263316566 371934348 /nfs/dbraw/zinc/93/43/48/371934348.db2.gz QKWFDQCXZIZWAG-DRZSPHRISA-N -1 0 261.321 2.030 50 0 CEAARM CC[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)CCO1 ZINC000263128833 371928889 /nfs/dbraw/zinc/92/88/89/371928889.db2.gz FVPILWCWTSPYEA-DTWKUNHWSA-N -1 0 283.349 2.134 50 0 CEAARM C[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000000509897 299431969 /nfs/dbraw/zinc/43/19/69/299431969.db2.gz AHBCSVQPWAFYED-ZETCQYMHSA-N -1 0 277.349 2.455 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000013320247 304175847 /nfs/dbraw/zinc/17/58/47/304175847.db2.gz ZEKURYLVZVODDD-GJZGRUSLSA-N -1 0 285.343 2.238 50 0 CEAARM CCCc1nc(C[S@](=O)[C@@H](C(=O)[O-])C(C)C)cs1 ZINC000408520191 375508040 /nfs/dbraw/zinc/50/80/40/375508040.db2.gz SEIKUEFWUSMCMG-ZMZPIMSZSA-N -1 0 289.422 2.454 50 0 CEAARM C[C@H]1CCC[C@@H](C(=O)[O-])N1C(=O)Cc1ccsc1 ZINC000408525443 375510893 /nfs/dbraw/zinc/51/08/93/375510893.db2.gz UWWZHSJBVSTZHA-ONGXEEELSA-N -1 0 267.350 2.145 50 0 CEAARM C/C(=C\C(=O)N(CCC(=O)[O-])C1CCOCC1)C(C)(C)C ZINC000328595429 376854005 /nfs/dbraw/zinc/85/40/05/376854005.db2.gz UYWKWARWWHUZGQ-VAWYXSNFSA-N -1 0 297.395 2.461 50 0 CEAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)CC2CCC2)c1 ZINC000426739586 377431241 /nfs/dbraw/zinc/43/12/41/377431241.db2.gz CJOIDSACUBDHEM-UHFFFAOYSA-N -1 0 277.320 2.266 50 0 CEAARM Cc1cccc(Cl)c1OCCNC(=O)CCCC(=O)[O-] ZINC000426506529 377412924 /nfs/dbraw/zinc/41/29/24/377412924.db2.gz 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/nfs/dbraw/zinc/58/69/61/169586961.db2.gz FRNYPAJLMPCHQD-QMTHXVAHSA-N -1 0 255.358 2.382 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000160134809 304236048 /nfs/dbraw/zinc/23/60/48/304236048.db2.gz DBCTXSWGBRVBOF-CHWSQXEVSA-N -1 0 259.305 2.257 50 0 CEAARM CC(C)CC(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000000450591 169644042 /nfs/dbraw/zinc/64/40/42/169644042.db2.gz BIMJUQSNUYFDHS-UHFFFAOYSA-N -1 0 251.282 2.135 50 0 CEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000014000435 285159801 /nfs/dbraw/zinc/15/98/01/285159801.db2.gz NYSYCGLAGQIEDC-OCCSQVGLSA-N -1 0 261.321 2.379 50 0 CEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(C)cc1 ZINC000040488277 285160224 /nfs/dbraw/zinc/16/02/24/285160224.db2.gz NYSYCGLAGQIEDC-TZMCWYRMSA-N -1 0 261.321 2.379 50 0 CEAARM C[C@@H]1CCC[C@@H](C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000095969463 296411995 /nfs/dbraw/zinc/41/19/95/296411995.db2.gz CZXOBTICRNFHHN-ZYHUDNBSSA-N -1 0 253.342 2.136 50 0 CEAARM CC(C)(C)OC(=O)Nc1ncccc1CC(=O)[O-] ZINC000096300703 256888650 /nfs/dbraw/zinc/88/86/50/256888650.db2.gz OHWUZICWFKKKBA-UHFFFAOYSA-N -1 0 252.270 2.056 50 0 CEAARM O=C([O-])c1cnnn1-c1c(Cl)cccc1Cl ZINC000075668451 304280496 /nfs/dbraw/zinc/28/04/96/304280496.db2.gz STBIKUOVXBXXJV-UHFFFAOYSA-N -1 0 258.064 2.272 50 0 CEAARM CCCOc1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1OC ZINC000095377562 184958180 /nfs/dbraw/zinc/95/81/80/184958180.db2.gz NGAILKRWJSACFV-JTQLQIEISA-N -1 0 295.335 2.077 50 0 CEAARM O=C([O-])c1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000038342462 304284990 /nfs/dbraw/zinc/28/49/90/304284990.db2.gz HXOYYMZWOQXOMO-UHFFFAOYSA-N -1 0 265.578 2.100 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cccs1 ZINC000250105199 131124252 /nfs/dbraw/zinc/12/42/52/131124252.db2.gz ZNNVMVALFFMOTA-BBBLOLIVSA-N -1 0 265.334 2.132 50 0 CEAARM C[C@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000262690706 131251808 /nfs/dbraw/zinc/25/18/08/131251808.db2.gz BNYNCKVDWBTUIT-DTWKUNHWSA-N -1 0 285.290 2.438 50 0 CEAARM O=C([O-])C[C@H]1CCCN1C(=O)c1ccc2c(c1)N=S=N2 ZINC000262987136 131277683 /nfs/dbraw/zinc/27/76/83/131277683.db2.gz PVYYIHBWLNQEQI-SECBINFHSA-N -1 0 291.332 2.492 50 0 CEAARM O=C([O-])c1cccc(NC(=O)CC[C@H]2CCOC2)c1 ZINC000263095194 131282013 /nfs/dbraw/zinc/28/20/13/131282013.db2.gz IGOUZZQBAKREGW-JTQLQIEISA-N -1 0 263.293 2.140 50 0 CEAARM CC(C)(C)CC(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263176614 131285004 /nfs/dbraw/zinc/28/50/04/131285004.db2.gz LFWYUCYRNSPDTE-UHFFFAOYSA-N -1 0 293.367 2.181 50 0 CEAARM COC(=O)c1cc(=O)n(-c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000015924189 292002443 /nfs/dbraw/zinc/00/24/43/292002443.db2.gz FAEYGTUPZNQAOX-UHFFFAOYSA-N -1 0 286.209 2.383 50 0 CEAARM O=C([O-])CC1=C(c2cccs2)N2CCN=C2S1 ZINC000100438016 394704531 /nfs/dbraw/zinc/70/45/31/394704531.db2.gz FTNQAVGWDVDLSG-UHFFFAOYSA-N -1 0 266.347 2.310 50 0 CEAARM Cc1cccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)c1 ZINC000101829869 400252755 /nfs/dbraw/zinc/25/27/55/400252755.db2.gz SBGLESSKRDTORX-AWEZNQCLSA-N -1 0 294.310 2.239 50 0 CEAARM Cc1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])cc(C)c1F ZINC000263037565 154007954 /nfs/dbraw/zinc/00/79/54/154007954.db2.gz OYEGPCRLFBOUJF-SECBINFHSA-N -1 0 289.253 2.281 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C(F)(F)F ZINC000263217507 154035601 /nfs/dbraw/zinc/03/56/01/154035601.db2.gz XUZHSFUPMUOUSX-BDAKNGLRSA-N -1 0 281.274 2.288 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000263364118 154069656 /nfs/dbraw/zinc/06/96/56/154069656.db2.gz ZHEIUEYQDXYAHY-AXTSPUMRSA-N -1 0 293.285 2.335 50 0 CEAARM C[C@@H](Nc1nc(C(F)F)nc2ccccc21)C(=O)[O-] ZINC000263406714 154080825 /nfs/dbraw/zinc/08/08/25/154080825.db2.gz KWGLVJABYBWKDZ-ZCFIWIBFSA-N -1 0 267.235 2.452 50 0 CEAARM C[C@@H](CN(C)c1nnc(Cc2ccccc2)s1)C(=O)[O-] ZINC000263542146 154122070 /nfs/dbraw/zinc/12/20/70/154122070.db2.gz DMKXAVNDNQRFQL-JTQLQIEISA-N -1 0 291.376 2.286 50 0 CEAARM CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262864544 288462192 /nfs/dbraw/zinc/46/21/92/288462192.db2.gz AYJJNYGXMDQZAA-GGZOMVNGSA-N -1 0 293.285 2.288 50 0 CEAARM C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013076662 299777319 /nfs/dbraw/zinc/77/73/19/299777319.db2.gz DMDJJBMZAMTALJ-GWCFXTLKSA-N -1 0 297.376 2.242 50 0 CEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000005005404 170054288 /nfs/dbraw/zinc/05/42/88/170054288.db2.gz WJNGYLPRZBNEGC-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM O=S(=O)([N-]c1ccncc1)c1cccc2cccnc21 ZINC000005260249 170080734 /nfs/dbraw/zinc/08/07/34/170080734.db2.gz GKSRTHIYZZBDQX-UHFFFAOYSA-N -1 0 285.328 2.431 50 0 CEAARM CN(C)c1nc(=S)[n-]c(NCc2ccccc2)n1 ZINC000005909531 170153882 /nfs/dbraw/zinc/15/38/82/170153882.db2.gz NQLPDJHIQKPUPO-UHFFFAOYSA-N -1 0 261.354 2.212 50 0 CEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005924497 170155774 /nfs/dbraw/zinc/15/57/74/170155774.db2.gz DOSQXDPMQNFOHS-UHFFFAOYSA-N -1 0 297.357 2.336 50 0 CEAARM CC[C@H](C(=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC000006667085 170224322 /nfs/dbraw/zinc/22/43/22/170224322.db2.gz WBULUDGUWZFLMO-VIFPVBQESA-N -1 0 254.282 2.291 50 0 CEAARM CCOC(=O)c1c(C)n(CC)c(C)c1/C=C/C(=O)[O-] ZINC000008037191 170315720 /nfs/dbraw/zinc/31/57/20/170315720.db2.gz FJLVYIAXOQTVNM-BQYQJAHWSA-N -1 0 265.309 2.399 50 0 CEAARM Cn1c(SCCC(=O)[O-])nnc1-c1ccccc1 ZINC000008362808 170333295 /nfs/dbraw/zinc/33/32/95/170333295.db2.gz YKHDOKPUONZXCU-UHFFFAOYSA-N -1 0 263.322 2.049 50 0 CEAARM CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000008469315 170336915 /nfs/dbraw/zinc/33/69/15/170336915.db2.gz PIFSZNCRIBFFQX-NSHDSACASA-N -1 0 256.346 2.118 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)OCc2cccnc2)cc1 ZINC000008700524 170346580 /nfs/dbraw/zinc/34/65/80/170346580.db2.gz HZUDHRTWQOKGOX-UHFFFAOYSA-N -1 0 286.287 2.206 50 0 CEAARM COc1ccc2[nH]c(C)c(CCC(=O)[O-])c(=O)c2c1 ZINC000008740395 170353391 /nfs/dbraw/zinc/35/33/91/170353391.db2.gz QDBCBEYRGZYEOR-UHFFFAOYSA-N -1 0 261.277 2.275 50 0 CEAARM O=c1cn[n-]c(NC(c2ccccc2)c2ccccc2)n1 ZINC000008767025 170354950 /nfs/dbraw/zinc/35/49/50/170354950.db2.gz BHMQMBWVZTWYGB-UHFFFAOYSA-N -1 0 278.315 2.366 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013176340 170539000 /nfs/dbraw/zinc/53/90/00/170539000.db2.gz PQIPPZYBTCMXBF-FXAINCCUSA-N -1 0 265.284 2.114 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC=CCC1 ZINC000019472656 170805834 /nfs/dbraw/zinc/80/58/34/170805834.db2.gz SDLPZUNIMMEHHQ-UONOGXRCSA-N -1 0 273.332 2.155 50 0 CEAARM Cc1cc(C(=O)[O-])cc(C)c1OCC(=O)N1CCCCC1 ZINC000020424676 171191420 /nfs/dbraw/zinc/19/14/20/171191420.db2.gz DOTWCUWZDVFZAF-UHFFFAOYSA-N -1 0 291.347 2.393 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1ccc(C)c(Cl)c1 ZINC000021147526 171298667 /nfs/dbraw/zinc/29/86/67/171298667.db2.gz QMODDHWGCOSEGA-UHFFFAOYSA-N -1 0 251.673 2.236 50 0 CEAARM O=C([O-])c1ccc(C[S@](=O)c2ccc(F)cc2)o1 ZINC000021714257 171319709 /nfs/dbraw/zinc/31/97/09/171319709.db2.gz NJFIICUXNGPLRP-GOSISDBHSA-N -1 0 268.265 2.425 50 0 CEAARM O=C([O-])[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000035301404 172115361 /nfs/dbraw/zinc/11/53/61/172115361.db2.gz NKIWXDQNAYWFJT-JTQLQIEISA-N -1 0 278.333 2.452 50 0 CEAARM O=C([O-])[C@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000035302437 172116169 /nfs/dbraw/zinc/11/61/69/172116169.db2.gz NQSBGWUJTBZHFZ-CYBMUJFWSA-N -1 0 272.304 2.391 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1cccs1 ZINC000035721574 172377140 /nfs/dbraw/zinc/37/71/40/172377140.db2.gz LOBHGTTVXOKXFX-NWDGAFQWSA-N -1 0 281.377 2.298 50 0 CEAARM Cc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000037329386 173130265 /nfs/dbraw/zinc/13/02/65/173130265.db2.gz LFQIPGJSMJSHLH-CYBMUJFWSA-N -1 0 261.321 2.003 50 0 CEAARM Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037410434 173186940 /nfs/dbraw/zinc/18/69/40/173186940.db2.gz IOYRBZZAAUBPKP-XEHSLEBBSA-N -1 0 259.305 2.084 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1F ZINC000037410839 173187397 /nfs/dbraw/zinc/18/73/97/173187397.db2.gz MIDOTLFPEDJGLN-XEHSLEBBSA-N -1 0 277.295 2.305 50 0 CEAARM Cc1[nH]c2ccccc2c1CC(=O)N(C)CCCC(=O)[O-] ZINC000037455909 173220730 /nfs/dbraw/zinc/22/07/30/173220730.db2.gz OGZKWTMFZSFRDD-UHFFFAOYSA-N -1 0 288.347 2.342 50 0 CEAARM CN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037517956 173248623 /nfs/dbraw/zinc/24/86/23/173248623.db2.gz XECAIINIVGBGMT-WDEREUQCSA-N -1 0 267.712 2.019 50 0 CEAARM C[C@H](O)C[C@H](Sc1ncccc1Cl)C(=O)[O-] ZINC000040068636 174186370 /nfs/dbraw/zinc/18/63/70/174186370.db2.gz DDRQREGXWZOBFG-XPUUQOCRSA-N -1 0 261.730 2.051 50 0 CEAARM O=C([O-])C1CCN(Cc2cccc(Br)n2)CC1 ZINC000040447957 174265370 /nfs/dbraw/zinc/26/53/70/174265370.db2.gz WMIWLEMAXKVVRP-UHFFFAOYSA-N -1 0 299.168 2.141 50 0 CEAARM CCO[N-]C(=O)COc1ccccc1C(F)(F)F ZINC000040498071 174295942 /nfs/dbraw/zinc/29/59/42/174295942.db2.gz IBIMKVXYYLXZIZ-UHFFFAOYSA-N -1 0 263.215 2.152 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000043512321 175060565 /nfs/dbraw/zinc/06/05/65/175060565.db2.gz KRSZVPOPGONCIN-LBPRGKRZSA-N -1 0 284.315 2.172 50 0 CEAARM Nc1c(C(=O)[O-])cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000044919078 175277322 /nfs/dbraw/zinc/27/73/22/175277322.db2.gz ZIMJWVZGKQPFCQ-UHFFFAOYSA-N -1 0 287.197 2.051 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cc(C)ccc1F ZINC000052980953 175541654 /nfs/dbraw/zinc/54/16/54/175541654.db2.gz AXMDIFQCEQCSQA-UHFFFAOYSA-N -1 0 253.273 2.071 50 0 CEAARM C[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCCO1 ZINC000659138325 415414476 /nfs/dbraw/zinc/41/44/76/415414476.db2.gz UUIKIROEBBVSEB-RISCZKNCSA-N -1 0 291.347 2.457 50 0 CEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCCCC1 ZINC000064980677 175699939 /nfs/dbraw/zinc/69/99/39/175699939.db2.gz BTMPXACFUZQXCH-UHFFFAOYSA-N -1 0 278.352 2.070 50 0 CEAARM Cc1cccc(Cn2nnc(C(=O)[O-])c2-c2ccccn2)c1 ZINC000065288275 175707714 /nfs/dbraw/zinc/70/77/14/175707714.db2.gz WLRJHZMBXGOFFN-UHFFFAOYSA-N -1 0 294.314 2.395 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]12 ZINC000659195501 415442119 /nfs/dbraw/zinc/44/21/19/415442119.db2.gz PRLPKXGCTLYKRC-YNEHKIRRSA-N -1 0 265.353 2.278 50 0 CEAARM O=C([O-])C[C@H]1COCCN1Cc1cc2ccccc2o1 ZINC000072170039 176332072 /nfs/dbraw/zinc/33/20/72/176332072.db2.gz UJIWBVLXBRLHRX-LBPRGKRZSA-N -1 0 275.304 2.108 50 0 CEAARM CN(CC(=O)[O-])c1nc2c(cc(F)cc2F)s1 ZINC000074934190 176636906 /nfs/dbraw/zinc/63/69/06/176636906.db2.gz BDCIXMCWELEOBE-UHFFFAOYSA-N -1 0 258.249 2.095 50 0 CEAARM O=C([O-])c1ccc(N[C@@H]2CCOC2)c(Br)c1 ZINC000095884020 260558117 /nfs/dbraw/zinc/55/81/17/260558117.db2.gz TXAQJPKYHHQTNL-MRVPVSSYSA-N -1 0 286.125 2.348 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000519306818 265390631 /nfs/dbraw/zinc/39/06/31/265390631.db2.gz RULRJXCURLDERV-MTMQSLQUSA-N -1 0 277.295 2.305 50 0 CEAARM CC(C)(C)C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000002825690 278285254 /nfs/dbraw/zinc/28/52/54/278285254.db2.gz HJQZCMQPGYDVPS-UHFFFAOYSA-N -1 0 280.349 2.244 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2n[n-]c(=S)o2)C1 ZINC000225484890 278390430 /nfs/dbraw/zinc/39/04/30/278390430.db2.gz NTCAZAMJBGQMNP-MRVPVSSYSA-N -1 0 285.369 2.473 50 0 CEAARM CC(C)(C)OC(=O)N1Cc2cc(N)ccc2C[C@@H]1C(=O)[O-] ZINC000095775068 278419574 /nfs/dbraw/zinc/41/95/74/278419574.db2.gz RREQMGDPGYJILI-GFCCVEGCSA-N -1 0 292.335 2.015 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000008075844 278435622 /nfs/dbraw/zinc/43/56/22/278435622.db2.gz HOBFSNNENNQQIU-SNVBAGLBSA-N -1 0 251.282 2.337 50 0 CEAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(c2ccnc(N)n2)C1 ZINC000091451944 278667087 /nfs/dbraw/zinc/66/70/87/278667087.db2.gz PLVWNSBIGNXKQW-HNNXBMFYSA-N -1 0 290.367 2.086 50 0 CEAARM COc1cccc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000208205472 280206243 /nfs/dbraw/zinc/20/62/43/280206243.db2.gz AQFOAMLOPFNXPH-CKXPSTMWSA-N -1 0 289.331 2.174 50 0 CEAARM COc1ccc2ccccc2c1[C@H]1OC(=O)[N-]C1=O ZINC000039393222 295279185 /nfs/dbraw/zinc/27/91/85/295279185.db2.gz OMLRUFVOBJOSJV-GFCCVEGCSA-N -1 0 257.245 2.156 50 0 CEAARM Cc1cc(Br)ccc1N1CC[C@@H](C(=O)[O-])C1=O ZINC000011891073 301071628 /nfs/dbraw/zinc/07/16/28/301071628.db2.gz LYQLGFQXRLAMFQ-SECBINFHSA-N -1 0 298.136 2.195 50 0 CEAARM Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000022145031 301217778 /nfs/dbraw/zinc/21/77/78/301217778.db2.gz SBKOERBWQZBUHY-ZDUSSCGKSA-N -1 0 261.321 2.383 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000003684518 301534004 /nfs/dbraw/zinc/53/40/04/301534004.db2.gz UCFDVVVEEVSDPW-UHFFFAOYSA-N -1 0 297.376 2.258 50 0 CEAARM O=S(=O)([O-])c1nc2cc(Br)ccc2s1 ZINC000040456666 304768769 /nfs/dbraw/zinc/76/87/69/304768769.db2.gz PQFRQZCBKYMUBY-UHFFFAOYSA-N -1 0 294.151 2.306 50 0 CEAARM Cc1ccccc1[C@@H]1CN(C(=O)C2CCC2)C[C@H]1C(=O)[O-] ZINC000092080441 302153759 /nfs/dbraw/zinc/15/37/59/302153759.db2.gz PYOTZFILNMRROX-LSDHHAIUSA-N -1 0 287.359 2.422 50 0 CEAARM Nc1c(C(=O)[O-])cnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000012958414 303492015 /nfs/dbraw/zinc/49/20/15/303492015.db2.gz NHFWRQOQYKRILF-UHFFFAOYSA-N -1 0 288.694 2.330 50 0 CEAARM COc1ccc(F)cc1-c1cnn(CC(=O)[O-])c1C ZINC000534578930 328311033 /nfs/dbraw/zinc/31/10/33/328311033.db2.gz XGJVZKMIUSZEKK-UHFFFAOYSA-N -1 0 264.256 2.091 50 0 CEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000253369547 329962769 /nfs/dbraw/zinc/96/27/69/329962769.db2.gz DWXWKJDYSOVTPV-KKUMJFAQSA-N -1 0 285.343 2.243 50 0 CEAARM Cc1oc(CN(C)C(=O)CC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000268940691 330067025 /nfs/dbraw/zinc/06/70/25/330067025.db2.gz SFGKUNJGPYDCKU-NSHDSACASA-N -1 0 295.335 2.204 50 0 CEAARM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCS2)s1 ZINC000150316181 526362688 /nfs/dbraw/zinc/36/26/88/526362688.db2.gz AUCYPUWHQLZVIC-ZETCQYMHSA-N -1 0 271.363 2.072 50 0 CEAARM CCc1nc(NCCc2cccs2)ncc1C(=O)[O-] ZINC000169751194 639633645 /nfs/dbraw/zinc/63/36/45/639633645.db2.gz BALJQNNQHHNRHB-UHFFFAOYSA-N -1 0 277.349 2.453 50 0 CEAARM C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc2c(c1)CCCC2 ZINC000071767826 641808242 /nfs/dbraw/zinc/80/82/42/641808242.db2.gz NUQOKBVOVWUWNO-SNVBAGLBSA-N -1 0 285.347 2.485 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC000095961741 185045076 /nfs/dbraw/zinc/04/50/76/185045076.db2.gz ZFXKUWWQAVPYDK-BDAKNGLRSA-N -1 0 267.712 2.323 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000095989433 185057453 /nfs/dbraw/zinc/05/74/53/185057453.db2.gz VPAQKYBRXFYCAR-ZJUUUORDSA-N -1 0 267.350 2.093 50 0 CEAARM CCn1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000032595298 361745014 /nfs/dbraw/zinc/74/50/14/361745014.db2.gz MLZWDPHWDVMUHF-UHFFFAOYSA-N -1 0 291.785 2.419 50 0 CEAARM CCc1nc(CCC(=O)[O-])n(-c2cc(C)cc(C)c2)n1 ZINC000034927239 361797503 /nfs/dbraw/zinc/79/75/03/361797503.db2.gz NEAROHMVLWFERY-UHFFFAOYSA-N -1 0 273.336 2.464 50 0 CEAARM O=C([O-])CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CC1 ZINC000037588560 361907089 /nfs/dbraw/zinc/90/70/89/361907089.db2.gz RMCZTHDLIOFZTJ-UHFFFAOYSA-N -1 0 277.107 2.011 50 0 CEAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccc2cc[nH]c2c1 ZINC000097001657 185150466 /nfs/dbraw/zinc/15/04/66/185150466.db2.gz NXZPFWKFZPEUDY-UHFFFAOYSA-N -1 0 274.320 2.351 50 0 CEAARM Cc1ccccc1C[C@H](CNC(=O)c1ccoc1)C(=O)[O-] ZINC000097018814 185152789 /nfs/dbraw/zinc/15/27/89/185152789.db2.gz RANIWYVKRUPMKZ-CQSZACIVSA-N -1 0 287.315 2.261 50 0 CEAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000037827982 361952869 /nfs/dbraw/zinc/95/28/69/361952869.db2.gz DQGQDJDKKJKOMW-OLZOCXBDSA-N -1 0 277.295 2.037 50 0 CEAARM O=C([O-])C1(NC(=O)CCn2ccc3ccccc32)CCC1 ZINC000097036280 185166641 /nfs/dbraw/zinc/16/66/41/185166641.db2.gz ZSNREYNVPNWFPQ-UHFFFAOYSA-N -1 0 286.331 2.155 50 0 CEAARM O=C([O-])[C@]12CN(C(=O)c3ccsc3)C[C@H]1CCCC2 ZINC000621613732 349643995 /nfs/dbraw/zinc/64/39/95/349643995.db2.gz KXCSNLWXDZKZNC-BXUZGUMPSA-N -1 0 279.361 2.465 50 0 CEAARM C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000042696356 362112376 /nfs/dbraw/zinc/11/23/76/362112376.db2.gz RGRQFMUDPRIVLW-UWVGGRQHSA-N -1 0 299.754 2.286 50 0 CEAARM COc1ccc(OC)c(C(=O)CC(C)(C)C(=O)[O-])c1 ZINC000043214308 362139826 /nfs/dbraw/zinc/13/98/26/362139826.db2.gz HOFHKYULZCIROK-UHFFFAOYSA-N -1 0 266.293 2.387 50 0 CEAARM COc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1OC ZINC000043214311 362140037 /nfs/dbraw/zinc/14/00/37/362140037.db2.gz YPHPSBRYQRMCFZ-UHFFFAOYSA-N -1 0 266.293 2.387 50 0 CEAARM CC[C@@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000473430 343350167 /nfs/dbraw/zinc/35/01/67/343350167.db2.gz NXTVQPHDKPQPPA-JHJVBQTASA-N -1 0 265.353 2.445 50 0 CEAARM C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000484283 343350423 /nfs/dbraw/zinc/35/04/23/343350423.db2.gz DNPCQPRWUACXEW-IJLUTSLNSA-N -1 0 253.342 2.278 50 0 CEAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000237469330 539310230 /nfs/dbraw/zinc/31/02/30/539310230.db2.gz GXEKUJIJMKUIMO-IEBDPFPHSA-N -1 0 281.739 2.280 50 0 CEAARM CC[NH+](CC)CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000096026916 344239109 /nfs/dbraw/zinc/23/91/09/344239109.db2.gz LMVMMLHMHVIISB-ZIAGYGMSSA-N -1 0 293.363 2.288 50 0 CEAARM CCC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000014984836 282342215 /nfs/dbraw/zinc/34/22/15/282342215.db2.gz JEDALECUOKHQDK-UHFFFAOYSA-N -1 0 257.330 2.498 50 0 CEAARM COc1cc(NC(=O)OCC2CC2)c(C(=O)[O-])cc1OC ZINC000585136538 345006871 /nfs/dbraw/zinc/00/68/71/345006871.db2.gz KBPLVAWGCCKDEO-UHFFFAOYSA-N -1 0 295.291 2.361 50 0 CEAARM O=C([O-])COc1ccccc1OCC(F)(F)F ZINC000057218550 362573642 /nfs/dbraw/zinc/57/36/42/362573642.db2.gz NIZSYZSAZKLYJR-UHFFFAOYSA-N -1 0 250.172 2.091 50 0 CEAARM CSc1ccc(S(=O)(=O)[N-]c2cc(C)nn2C)cc1 ZINC000058304551 362620278 /nfs/dbraw/zinc/62/02/78/362620278.db2.gz NWABQWZGHZOIPS-UHFFFAOYSA-N -1 0 297.405 2.251 50 0 CEAARM Cc1nnc([N-]S(=O)(=O)c2ccc(F)cc2C)s1 ZINC000083955934 539484136 /nfs/dbraw/zinc/48/41/36/539484136.db2.gz JZWUKXXQUCLRHX-UHFFFAOYSA-N -1 0 287.341 2.095 50 0 CEAARM Cn1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000062913818 362734053 /nfs/dbraw/zinc/73/40/53/362734053.db2.gz MQUYYGQGQFOMPG-MRXNPFEDSA-N -1 0 286.331 2.115 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000063021092 362744592 /nfs/dbraw/zinc/74/45/92/362744592.db2.gz RSEHNZBHMCIMPP-NSHDSACASA-N -1 0 267.712 2.338 50 0 CEAARM O=C([O-])c1cccc(NC2SN=NC2=S)c1 ZINC000063772505 362774741 /nfs/dbraw/zinc/77/47/41/362774741.db2.gz QCSYOUZRIPAPOE-UHFFFAOYSA-N -1 0 253.308 2.269 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n(C)n1 ZINC000066247843 362858360 /nfs/dbraw/zinc/85/83/60/362858360.db2.gz MPCZLXJOOCPSFP-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CC(=O)Nc1cccc(-c2c(C)nn(CC(=O)[O-])c2C)c1 ZINC000067726201 362921561 /nfs/dbraw/zinc/92/15/61/362921561.db2.gz CLOQHOHWROOKCE-UHFFFAOYSA-N -1 0 287.319 2.210 50 0 CEAARM Cc1cccc2cc(C(=O)NC[C@H](C)C(=O)[O-])oc21 ZINC000089689056 179846989 /nfs/dbraw/zinc/84/69/89/179846989.db2.gz ACZUXRDQSZCOAY-VIFPVBQESA-N -1 0 261.277 2.192 50 0 CEAARM Cc1oc(CNC(=O)c2ccncc2Cl)cc1C(=O)[O-] ZINC000091449291 180157356 /nfs/dbraw/zinc/15/73/56/180157356.db2.gz RTCGCUHHPKHDFO-UHFFFAOYSA-N -1 0 294.694 2.265 50 0 CEAARM C[C@@H]1C[C@H](C(=O)Nc2cccc(CC(=O)[O-])c2)[C@@H](C)O1 ZINC000630143039 351637430 /nfs/dbraw/zinc/63/74/30/351637430.db2.gz DSNQNYXNABZISP-BREBYQMCSA-N -1 0 277.320 2.066 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cnn1 ZINC000630163317 351644945 /nfs/dbraw/zinc/64/49/45/351644945.db2.gz VSQJECVOVYHRCI-JTQLQIEISA-N -1 0 299.330 2.301 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000630172383 351647295 /nfs/dbraw/zinc/64/72/95/351647295.db2.gz GZTILBAVOFCMHX-NWDGAFQWSA-N -1 0 279.723 2.055 50 0 CEAARM C[C@@H](CC(=O)N1CCCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000630100353 351619421 /nfs/dbraw/zinc/61/94/21/351619421.db2.gz GTHJRTKOSDALNT-YUMQZZPRSA-N -1 0 267.247 2.041 50 0 CEAARM O=C(c1ccc(F)cc1[O-])N1CCOC2(CCCC2)C1 ZINC000124162532 187124789 /nfs/dbraw/zinc/12/47/89/187124789.db2.gz SHKJNIMWWFWKBR-UHFFFAOYSA-N -1 0 279.311 2.317 50 0 CEAARM O=C([O-])/C=C\C(=O)Nc1ccccc1OC(F)(F)F ZINC000033364543 304023961 /nfs/dbraw/zinc/02/39/61/304023961.db2.gz CGQSJWRYSHWAOB-WAYWQWQTSA-N -1 0 275.182 2.165 50 0 CEAARM O=C([O-])C1(C(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000095993689 304027242 /nfs/dbraw/zinc/02/72/42/304027242.db2.gz JGSSTEHPOZPTSE-CQSZACIVSA-N -1 0 263.337 2.200 50 0 CEAARM Cc1cc(F)cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000135171980 187802480 /nfs/dbraw/zinc/80/24/80/187802480.db2.gz KDNIAEFSZVXBGU-JTQLQIEISA-N -1 0 265.284 2.071 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1cc(F)ccc1F ZINC000136464065 187879416 /nfs/dbraw/zinc/87/94/16/187879416.db2.gz HDGMIUQPJBFATL-CYBMUJFWSA-N -1 0 297.301 2.363 50 0 CEAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000136133918 187866499 /nfs/dbraw/zinc/86/64/99/187866499.db2.gz RQZFKDFYSAWXAX-QJPTWQEYSA-N -1 0 293.388 2.483 50 0 CEAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1nc(C(C)(C)C)cs1 ZINC000154870118 188165988 /nfs/dbraw/zinc/16/59/88/188165988.db2.gz VGMXTOMYLMVMRY-MRVPVSSYSA-N -1 0 296.392 2.483 50 0 CEAARM O=C([O-])C1(NC(=O)[C@H]2SCCc3sccc32)CCC1 ZINC000237956171 304032526 /nfs/dbraw/zinc/03/25/26/304032526.db2.gz RGPVQEBOSGTCBY-JTQLQIEISA-N -1 0 297.401 2.202 50 0 CEAARM C[C@]1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCCS1 ZINC000157123353 188297963 /nfs/dbraw/zinc/29/79/63/188297963.db2.gz YTZSWGLZYFKURY-CQSZACIVSA-N -1 0 279.361 2.400 50 0 CEAARM O=C([O-])CSc1nc2ccccc2nc1Cl ZINC000073665691 363239206 /nfs/dbraw/zinc/23/92/06/363239206.db2.gz HOSBQYBWOMNCLL-UHFFFAOYSA-N -1 0 254.698 2.460 50 0 CEAARM CCNC(=O)N1CCC(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000169676811 188661839 /nfs/dbraw/zinc/66/18/39/188661839.db2.gz CBXVTMCWGMEINT-UHFFFAOYSA-N -1 0 290.363 2.369 50 0 CEAARM C[C@@H](CNC(=O)C1(Cc2ccccc2)CCC1)C(=O)[O-] ZINC000097035987 295943658 /nfs/dbraw/zinc/94/36/58/295943658.db2.gz LBYMQMSYOPTOMH-LBPRGKRZSA-N -1 0 275.348 2.236 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCCOC2)c2ccccc21 ZINC000167136706 540380561 /nfs/dbraw/zinc/38/05/61/540380561.db2.gz LVUBFUDHBLGBBX-AAEUAGOBSA-N -1 0 289.331 2.018 50 0 CEAARM Cc1nc(C)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)o1 ZINC000136105063 366495682 /nfs/dbraw/zinc/49/56/82/366495682.db2.gz VCUFNBGCZHHLSL-LBPRGKRZSA-N -1 0 288.303 2.237 50 0 CEAARM CCCc1ncc(C(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000136468874 366514282 /nfs/dbraw/zinc/51/42/82/366514282.db2.gz BVJVPUJKMBGCDZ-VIFPVBQESA-N -1 0 282.365 2.175 50 0 CEAARM O=C([O-])Cc1ccc(N2C(=O)Nc3ccccc3N2O)cc1 ZINC000002908029 304089206 /nfs/dbraw/zinc/08/92/06/304089206.db2.gz VACXBSNJDHHCHH-UHFFFAOYSA-N -1 0 299.286 2.476 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000045922871 304097703 /nfs/dbraw/zinc/09/77/03/304097703.db2.gz YVONMGVOEXRIGB-YPMHNXCESA-N -1 0 279.723 2.477 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000177251 304099565 /nfs/dbraw/zinc/09/95/65/304099565.db2.gz JTNGNKFRLSZNJZ-WDEREUQCSA-N -1 0 289.287 2.021 50 0 CEAARM CC(C)CCOc1ccc([C@@H](CC(N)=O)C(=O)[O-])cc1 ZINC000000037423 361118861 /nfs/dbraw/zinc/11/88/61/361118861.db2.gz URHQETDIGDRFRL-CYBMUJFWSA-N -1 0 279.336 2.155 50 0 CEAARM COc1ccc(Cl)cc1NC(=O)CSCC(=O)[O-] ZINC000000102345 361128979 /nfs/dbraw/zinc/12/89/79/361128979.db2.gz LOIJPBGURSDEHM-UHFFFAOYSA-N -1 0 289.740 2.105 50 0 CEAARM COc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000000111861 361130170 /nfs/dbraw/zinc/13/01/70/361130170.db2.gz USZWEVQJHWPOAD-UHFFFAOYSA-N -1 0 282.321 2.101 50 0 CEAARM COC(=O)c1c(C)oc2ccc(O[C@H](C)C(=O)[O-])cc21 ZINC000000116892 361131356 /nfs/dbraw/zinc/13/13/56/361131356.db2.gz DZVITWLQUAHHBZ-MRVPVSSYSA-N -1 0 278.260 2.380 50 0 CEAARM COC(=O)c1c(C)oc2ccc(O[C@@H](C)C(=O)[O-])cc21 ZINC000000116890 361131521 /nfs/dbraw/zinc/13/15/21/361131521.db2.gz DZVITWLQUAHHBZ-QMMMGPOBSA-N -1 0 278.260 2.380 50 0 CEAARM CCOC(=O)c1c(C)oc2ccc(OCC(=O)[O-])cc21 ZINC000000116887 361131616 /nfs/dbraw/zinc/13/16/16/361131616.db2.gz FSSBTUPGSPOFLM-UHFFFAOYSA-N -1 0 278.260 2.381 50 0 CEAARM C[C@@H](Oc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)[O-] ZINC000000148432 361135950 /nfs/dbraw/zinc/13/59/50/361135950.db2.gz BVXYITKPGKPOKT-GFCCVEGCSA-N -1 0 299.326 2.469 50 0 CEAARM C[C@@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23 ZINC000000156820 361136838 /nfs/dbraw/zinc/13/68/38/361136838.db2.gz DPSPPJIUMHPXMA-SSDOTTSWSA-N -1 0 261.252 2.346 50 0 world CEAARM O=C([O-])/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000000174607 361139706 /nfs/dbraw/zinc/13/97/06/361139706.db2.gz XDKRSRYSRYRMTM-FMIVXFBMSA-N -1 0 257.245 2.135 50 0 CEAARM Cc1ccc(Cl)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000322572 361161395 /nfs/dbraw/zinc/16/13/95/361161395.db2.gz HFMQBZLBNDOOFS-QMMMGPOBSA-N -1 0 253.685 2.086 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000000206832 361145353 /nfs/dbraw/zinc/14/53/53/361145353.db2.gz NUJVFWWGRWNFLF-CYBMUJFWSA-N -1 0 270.288 2.027 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1F ZINC000000307509 361159269 /nfs/dbraw/zinc/15/92/69/361159269.db2.gz VSLMIPZSIZTSNG-ZJUUUORDSA-N -1 0 263.268 2.431 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000000399425 361170921 /nfs/dbraw/zinc/17/09/21/361170921.db2.gz LXSODSXUTNRYPE-NWDGAFQWSA-N -1 0 263.293 2.222 50 0 CEAARM O=C([O-])COc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000000417640 361172203 /nfs/dbraw/zinc/17/22/03/361172203.db2.gz MBECCRREBRCLAV-UHFFFAOYSA-N -1 0 286.243 2.460 50 0 CEAARM COc1cc2[n-]c(=S)n(C3CC3)c(=O)c2cc1OC ZINC000000425089 361174017 /nfs/dbraw/zinc/17/40/17/361174017.db2.gz BOMHESKRRZZQFW-UHFFFAOYSA-N -1 0 278.333 2.411 50 0 CEAARM CCc1sc([N-]S(C)(=O)=O)nc1-c1ccccc1 ZINC000000464176 361178263 /nfs/dbraw/zinc/17/82/63/361178263.db2.gz DVZRKGSRGYFCGW-UHFFFAOYSA-N -1 0 282.390 2.166 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1 ZINC000000534348 361183892 /nfs/dbraw/zinc/18/38/92/361183892.db2.gz UIZDKNPWCWPRTQ-HNNXBMFYSA-N -1 0 298.342 2.182 50 0 CEAARM C[C@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000000533711 361184399 /nfs/dbraw/zinc/18/43/99/361184399.db2.gz SZMNRBWISCWRMX-JSGCOSHPSA-N -1 0 290.363 2.266 50 0 CEAARM Cc1cccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)c1C ZINC000001005893 361195963 /nfs/dbraw/zinc/19/59/63/361195963.db2.gz WEPIWZTYLJOPTB-UKTHLTGXSA-N -1 0 281.315 2.274 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CC(C1CC1)C1CC1 ZINC000328593962 304101823 /nfs/dbraw/zinc/10/18/23/304101823.db2.gz DRNXQWZGYWSCTK-ZDUSSCGKSA-N -1 0 265.353 2.278 50 0 CEAARM COc1ccc([C@](O)(C(=O)[O-])c2ccccc2)cc1 ZINC000001646633 361213804 /nfs/dbraw/zinc/21/38/04/361213804.db2.gz KWRLXQHDQNHPLW-HNNXBMFYSA-N -1 0 258.273 2.016 50 0 CEAARM O=C([O-])C[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000002334856 361233674 /nfs/dbraw/zinc/23/36/74/361233674.db2.gz RCUGEKXAARDIMT-NEPJUHHUSA-N -1 0 281.283 2.034 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccco1 ZINC000002389097 361234548 /nfs/dbraw/zinc/23/45/48/361234548.db2.gz NTIWANHPRXTWCF-QMMMGPOBSA-N -1 0 255.270 2.320 50 0 CEAARM CCCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000002565400 361240547 /nfs/dbraw/zinc/24/05/47/361240547.db2.gz MRVWHOSSKWDZJG-CYBMUJFWSA-N -1 0 277.320 2.165 50 0 CEAARM Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000002618308 361242808 /nfs/dbraw/zinc/24/28/08/361242808.db2.gz YOEZOGCBFWCKAF-LFAOLKIESA-N -1 0 270.284 2.223 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000003566390 361285204 /nfs/dbraw/zinc/28/52/04/361285204.db2.gz NQBHYLFDLMZMPU-UHFFFAOYSA-N -1 0 283.328 2.275 50 0 CEAARM CCOC(=O)c1ccccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000003646782 361288748 /nfs/dbraw/zinc/28/87/48/361288748.db2.gz BFONPJRZILOOSE-SNVBAGLBSA-N -1 0 293.319 2.303 50 0 CEAARM CCCCOC(=O)N=c1[n-]nc(CCOCC)s1 ZINC000002846613 361254866 /nfs/dbraw/zinc/25/48/66/361254866.db2.gz PWKHJMHDGZAYMP-UHFFFAOYSA-N -1 0 273.358 2.466 50 0 CEAARM CCCCC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000003003859 361261296 /nfs/dbraw/zinc/26/12/96/361261296.db2.gz RGXGUVPJDJGVAO-UHFFFAOYSA-N -1 0 280.349 2.388 50 0 CEAARM CCCCCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000012536223 361388987 /nfs/dbraw/zinc/38/89/87/361388987.db2.gz YYQHUTQSHSLZBG-UHFFFAOYSA-N -1 0 298.408 2.368 50 0 CEAARM COc1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013442463 361428148 /nfs/dbraw/zinc/42/81/48/361428148.db2.gz XIQVJJHTNDTROL-UHFFFAOYSA-N -1 0 299.326 2.366 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000013655737 361436019 /nfs/dbraw/zinc/43/60/19/361436019.db2.gz KYFRDGXPSHFSLP-CABZTGNLSA-N -1 0 282.315 2.124 50 0 CEAARM CC(C)NC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013034323 361417248 /nfs/dbraw/zinc/41/72/48/361417248.db2.gz JTTAEMDQEYBCQM-UHFFFAOYSA-N -1 0 287.315 2.441 50 0 CEAARM CC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000015996954 361482246 /nfs/dbraw/zinc/48/22/46/361482246.db2.gz BDLHUBGGPRHVFV-SNVBAGLBSA-N -1 0 294.307 2.036 50 0 CEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000014223574 361453648 /nfs/dbraw/zinc/45/36/48/361453648.db2.gz XLVLTTGBZNLVCG-UHFFFAOYSA-N -1 0 299.302 2.172 50 0 CEAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)CCC(=O)[O-])s1 ZINC000017024769 361502023 /nfs/dbraw/zinc/50/20/23/361502023.db2.gz BTNQPDXKGQTFPD-UHFFFAOYSA-N -1 0 299.348 2.425 50 0 CEAARM O=C([O-])CCc1nc(-c2cccc(Cl)c2)no1 ZINC000017087013 361504154 /nfs/dbraw/zinc/50/41/54/361504154.db2.gz CHQIGFQFWBKOIG-UHFFFAOYSA-N -1 0 252.657 2.407 50 0 CEAARM Cc1cccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000019981684 361572812 /nfs/dbraw/zinc/57/28/12/361572812.db2.gz MKHLPFHXPDCNNR-NSHDSACASA-N -1 0 262.309 2.324 50 0 CEAARM COc1ccc([C@@H](C)CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237173056 370697919 /nfs/dbraw/zinc/69/79/19/370697919.db2.gz GVLGPPPLWDRPBC-AAEUAGOBSA-N -1 0 291.347 2.122 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n(C)n1 ZINC000090120859 364040528 /nfs/dbraw/zinc/04/05/28/364040528.db2.gz NFXYIXGLUUPKGH-UHFFFAOYSA-N -1 0 293.710 2.332 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000237273407 370707761 /nfs/dbraw/zinc/70/77/61/370707761.db2.gz YKHIXPDLNAEJBT-CMPLNLGQSA-N -1 0 297.301 2.392 50 0 CEAARM CSCc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1F ZINC000237381047 370715946 /nfs/dbraw/zinc/71/59/46/370715946.db2.gz VWEQPEVFUSXCJX-JTQLQIEISA-N -1 0 297.351 2.235 50 0 CEAARM Cc1nc(C)c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)s1 ZINC000237467394 370724257 /nfs/dbraw/zinc/72/42/57/370724257.db2.gz DYLVMJRHSSIJIS-ZETCQYMHSA-N -1 0 282.365 2.085 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237507781 370728041 /nfs/dbraw/zinc/72/80/41/370728041.db2.gz SCVIOUDLJLTKJL-KOLCDFICSA-N -1 0 297.301 2.424 50 0 CEAARM C[C@H]1C[C@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237638536 370739738 /nfs/dbraw/zinc/73/97/38/370739738.db2.gz SCVIOUDLJLTKJL-GXSJLCMTSA-N -1 0 297.301 2.424 50 0 CEAARM Cc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000237676506 370744130 /nfs/dbraw/zinc/74/41/30/370744130.db2.gz QDFJDVJCWUOLOM-CQSZACIVSA-N -1 0 275.348 2.312 50 0 CEAARM O=C([O-])c1ccc(NC(=O)C[C@H]2CCCCO2)c(F)c1 ZINC000095031280 364324153 /nfs/dbraw/zinc/32/41/53/364324153.db2.gz LIKITBBIPBHKDY-SNVBAGLBSA-N -1 0 281.283 2.422 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)no1 ZINC000095406568 364360842 /nfs/dbraw/zinc/36/08/42/364360842.db2.gz BNRRTFZYRCYTBG-MRVPVSSYSA-N -1 0 294.332 2.107 50 0 CEAARM CCC(CC)(CNC(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000095972846 364395050 /nfs/dbraw/zinc/39/50/50/364395050.db2.gz IWNVDDPHLHIVKX-UHFFFAOYSA-N -1 0 272.732 2.289 50 0 CEAARM O=C([O-])[C@@H]1CCCN1c1ncnc2sc3c(c21)CCC3 ZINC000057630965 304115782 /nfs/dbraw/zinc/11/57/82/304115782.db2.gz VJNLSIXHWSRHDZ-VIFPVBQESA-N -1 0 289.360 2.233 50 0 CEAARM CC(C)(C)OC(=O)N1CC[C@@H](CC2CC2)[C@@H]1C(=O)[O-] ZINC000096675745 364425335 /nfs/dbraw/zinc/42/53/35/364425335.db2.gz BLLZNKBINLVGOX-WDEREUQCSA-N -1 0 269.341 2.497 50 0 CEAARM Cc1cc(-c2nc(C)nn2CC(=O)[O-])sc1C ZINC000097785567 364518965 /nfs/dbraw/zinc/51/89/65/364518965.db2.gz OGCZERWQPXWTBX-UHFFFAOYSA-N -1 0 251.311 2.016 50 0 CEAARM Nc1nc(/C=C/c2cccnc2)nc(-c2ccccc2[O-])n1 ZINC000100155712 364540927 /nfs/dbraw/zinc/54/09/27/364540927.db2.gz WTGHURLGUXYVQE-BQYQJAHWSA-N -1 0 291.314 2.392 50 0 CEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000102820410 364612015 /nfs/dbraw/zinc/61/20/15/364612015.db2.gz INEQZXHNRRKKTA-ZIAGYGMSSA-N -1 0 292.298 2.184 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000111475996 304119773 /nfs/dbraw/zinc/11/97/73/304119773.db2.gz RZIDJMCTOZSUMD-NWDGAFQWSA-N -1 0 273.332 2.420 50 0 CEAARM CN(C)C(=O)c1cccc(-c2ccc(CCC(=O)[O-])cc2)n1 ZINC000220298849 189722781 /nfs/dbraw/zinc/72/27/81/189722781.db2.gz IXAUQOHUTHKGEW-UHFFFAOYSA-N -1 0 298.342 2.468 50 0 CEAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC000178266176 368294451 /nfs/dbraw/zinc/29/44/51/368294451.db2.gz GSZHZOQPNPKUHK-LLVKDONJSA-N -1 0 284.315 2.090 50 0 CEAARM CCc1nnc(CN(CC)Cc2ccccc2C(=O)[O-])o1 ZINC000216178785 370184809 /nfs/dbraw/zinc/18/48/09/370184809.db2.gz VTVOCAWBTYJWFE-UHFFFAOYSA-N -1 0 289.335 2.352 50 0 CEAARM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000236631115 370598528 /nfs/dbraw/zinc/59/85/28/370598528.db2.gz WGXMTUXZLCZGRB-UMAGTOLTSA-N -1 0 277.295 2.162 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1F ZINC000236626550 370599182 /nfs/dbraw/zinc/59/91/82/370599182.db2.gz ZVQQJLNHYCFRMG-XPSMFNQNSA-N -1 0 277.295 2.305 50 0 CEAARM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])C1)CCc1ccccc1 ZINC000236690364 370608699 /nfs/dbraw/zinc/60/86/99/370608699.db2.gz GYFQSBHNNVWAFL-HVCHUGMYSA-N -1 0 287.359 2.499 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1COc2ccccc21 ZINC000250854395 371392775 /nfs/dbraw/zinc/39/27/75/371392775.db2.gz OMHBYVXOJCABIN-LOWVWBTDSA-N -1 0 289.331 2.127 50 0 CEAARM Cc1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000250890041 371393521 /nfs/dbraw/zinc/39/35/21/371393521.db2.gz BBOCNQLSCWDIGC-JLLWLGSASA-N -1 0 294.376 2.309 50 0 CEAARM C/C(=C\C(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000269092984 372338985 /nfs/dbraw/zinc/33/89/85/372338985.db2.gz WIZMWHGRSQORSK-AORWBKJGSA-N -1 0 277.295 2.305 50 0 CEAARM Cc1ccccc1-c1nc(CN2CCC[C@H]2C(=O)[O-])no1 ZINC000237705630 189888173 /nfs/dbraw/zinc/88/81/73/189888173.db2.gz CQESQWALKRAEON-LBPRGKRZSA-N -1 0 287.319 2.094 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1coc(-c2ccccc2)n1 ZINC000238087435 189899392 /nfs/dbraw/zinc/89/93/92/189899392.db2.gz ZRMUUULRLFNPQO-GFCCVEGCSA-N -1 0 286.287 2.031 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000236959993 284408001 /nfs/dbraw/zinc/40/80/01/284408001.db2.gz KRNHTDABUUHVSL-BDAKNGLRSA-N -1 0 283.274 2.001 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000005685372 304181275 /nfs/dbraw/zinc/18/12/75/304181275.db2.gz YMXKNOSJIYWEQI-CABCVRRESA-N -1 0 287.359 2.462 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NC/C=C/c2ccccc2)C1 ZINC000414436128 375835437 /nfs/dbraw/zinc/83/54/37/375835437.db2.gz BKBYAUKWAAKYDG-QFVHEQCKSA-N -1 0 273.332 2.317 50 0 CEAARM CCc1cc(C(=O)N[C@@H](CCSC)C(=O)[O-])cs1 ZINC000426503462 377412660 /nfs/dbraw/zinc/41/26/60/377412660.db2.gz HCTBEGOATMETET-JTQLQIEISA-N -1 0 287.406 2.247 50 0 CEAARM COc1n[n-]c(=NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)s1 ZINC000331740378 377491361 /nfs/dbraw/zinc/49/13/61/377491361.db2.gz WYCRPLBLFBUWQA-KXUCPTDWSA-N -1 0 296.396 2.154 50 0 CEAARM CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299747312 379126583 /nfs/dbraw/zinc/12/65/83/379126583.db2.gz CONMMDYWMUSDQQ-ZJUUUORDSA-N -1 0 285.702 2.158 50 0 CEAARM C[C@H](OCC1CC1)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299750337 379127466 /nfs/dbraw/zinc/12/74/66/379127466.db2.gz NDHSYIXRNOFZJF-GHYVTOPFSA-N -1 0 295.379 2.046 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1ccsc1 ZINC000492173530 380474656 /nfs/dbraw/zinc/47/46/56/380474656.db2.gz ZCCYWQJHPCUVLJ-DOGVGXBMSA-N -1 0 265.334 2.227 50 0 CEAARM Cc1cc2c(cccc2NC(=O)CCCC(=O)[O-])nn1 ZINC000000156452 169557165 /nfs/dbraw/zinc/55/71/65/169557165.db2.gz FKRXMDKIUCWSAC-UHFFFAOYSA-N -1 0 273.292 2.132 50 0 CEAARM COc1c(F)c(F)c(/C=C/C(=O)[O-])c(F)c1F ZINC000000196664 169571025 /nfs/dbraw/zinc/57/10/25/169571025.db2.gz WTMURTQUJBZDLA-NSCUHMNNSA-N -1 0 250.147 2.349 50 0 CEAARM Nc1cc(C(F)(F)F)ccc1SCC(=O)[O-] ZINC000000332905 169609667 /nfs/dbraw/zinc/60/96/67/169609667.db2.gz ARWXONAOLOIATM-UHFFFAOYSA-N -1 0 251.229 2.464 50 0 CEAARM O=C([O-])COc1ccccc1[C@H]1NC(=O)c2ccccc2N1 ZINC000000399015 169630534 /nfs/dbraw/zinc/63/05/34/169630534.db2.gz KXPJRCKVNDDVAL-OAHLLOKOSA-N -1 0 298.298 2.004 50 0 CEAARM COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1C ZINC000004046790 184530653 /nfs/dbraw/zinc/53/06/53/184530653.db2.gz HBQUXVLMABKFQJ-UHFFFAOYSA-N -1 0 276.288 2.436 50 0 CEAARM CC(C)(C)OC(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC000014632615 184534002 /nfs/dbraw/zinc/53/40/02/184534002.db2.gz LXPQNTNSSNXGIN-UHFFFAOYSA-N -1 0 265.309 2.338 50 0 CEAARM O=C([O-])c1cccc(-n2cc(Br)cn2)c1 ZINC000021953496 304255247 /nfs/dbraw/zinc/25/52/47/304255247.db2.gz YTQYZCOYYUQUKG-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM O=c1[n-]c(C(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000006454580 285195920 /nfs/dbraw/zinc/19/59/20/285195920.db2.gz KCJAAKAXPXQDIY-UHFFFAOYSA-N -1 0 280.209 2.128 50 0 CEAARM O=C([O-])c1cccnc1N1CCc2ccccc2C1 ZINC000011987236 304272666 /nfs/dbraw/zinc/27/26/66/304272666.db2.gz WSUVTBQSFHVPMI-UHFFFAOYSA-N -1 0 254.289 2.343 50 0 CEAARM O=C([O-])c1cnc(Br)c(Br)c1 ZINC000000480666 304275083 /nfs/dbraw/zinc/27/50/83/304275083.db2.gz ABBCIGFWDCOGEQ-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM O=C([O-])C1CCC(NC(=O)C2CCCCC2)CC1 ZINC000001465716 169708282 /nfs/dbraw/zinc/70/82/82/169708282.db2.gz DXMWOJOVIJXDTK-UHFFFAOYSA-N -1 0 253.342 2.326 50 0 CEAARM O=C([O-])c1nn(-c2cc(F)cc(F)c2)c2c1CCC2 ZINC000021961504 304284477 /nfs/dbraw/zinc/28/44/77/304284477.db2.gz PNQRRJZHLKZNGZ-UHFFFAOYSA-N -1 0 264.231 2.337 50 0 CEAARM O=C([O-])c1noc(-c2cccc(Br)c2)n1 ZINC000040447954 304285194 /nfs/dbraw/zinc/28/51/94/304285194.db2.gz XXBVERSIURKBQZ-UHFFFAOYSA-N -1 0 269.054 2.197 50 0 CEAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263469010 131294445 /nfs/dbraw/zinc/29/44/45/131294445.db2.gz ROAPOCRVJKBZAD-RFAUZJTJSA-N -1 0 294.351 2.251 50 0 CEAARM CCN(CC)C(=O)CN1CCCc2c(C(=O)[O-])cccc21 ZINC000037595801 134845769 /nfs/dbraw/zinc/84/57/69/134845769.db2.gz QHVLPPCGNROEFA-UHFFFAOYSA-N -1 0 290.363 2.006 50 0 CEAARM CNC(=O)c1sc(-c2cccc(C(=O)[O-])c2)nc1C ZINC000077576756 394623257 /nfs/dbraw/zinc/62/32/57/394623257.db2.gz FZWHVDUOXWTZHX-UHFFFAOYSA-N -1 0 276.317 2.176 50 0 CEAARM C[C@]1(C(=O)NCc2cccc(C(=O)[O-])c2)CC1(F)F ZINC000422560554 394710426 /nfs/dbraw/zinc/71/04/26/394710426.db2.gz XXSTVPHJYRKUQI-GFCCVEGCSA-N -1 0 269.247 2.046 50 0 CEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC12CC2 ZINC000263215814 154035162 /nfs/dbraw/zinc/03/51/62/154035162.db2.gz OCTXYSBTQRLFMY-GXTWGEPZSA-N -1 0 298.342 2.080 50 0 CEAARM O=C([O-])Cc1ccc(NC(=O)COC2CCCC2)cc1F ZINC000263276658 154047435 /nfs/dbraw/zinc/04/74/35/154047435.db2.gz WTSOZQPQWMKMTR-UHFFFAOYSA-N -1 0 295.310 2.351 50 0 CEAARM O=C(Cc1csc2ccccc12)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263290813 154051564 /nfs/dbraw/zinc/05/15/64/154051564.db2.gz MCWGGVPBMVHQDH-JGZJWPJOSA-N -1 0 289.356 2.423 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)[O-] ZINC000004218197 169944923 /nfs/dbraw/zinc/94/49/23/169944923.db2.gz OJLISTAWQHSIHL-VIFPVBQESA-N -1 0 271.338 2.269 50 0 CEAARM NC(=O)N[C@H](CC(=O)[O-])c1ccc(OC2CCCC2)cc1 ZINC000004651001 169993289 /nfs/dbraw/zinc/99/32/89/169993289.db2.gz GVTOXYIOYPUADD-CYBMUJFWSA-N -1 0 292.335 2.192 50 0 CEAARM CC[C@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000004734396 170007788 /nfs/dbraw/zinc/00/77/88/170007788.db2.gz KRKBSIJUCVXTLT-ONGXEEELSA-N -1 0 266.366 2.472 50 0 CEAARM O=c1[n-]c(NC2CCCC2)nnc1Cc1ccc(F)cc1 ZINC000005154500 170071341 /nfs/dbraw/zinc/07/13/41/170071341.db2.gz AJOANODYZNELJF-UHFFFAOYSA-N -1 0 288.326 2.249 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000005198025 170075762 /nfs/dbraw/zinc/07/57/62/170075762.db2.gz PUAYAFXUERYCHH-OLZOCXBDSA-N -1 0 277.295 2.109 50 0 CEAARM O=C([O-])c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000005248625 170079332 /nfs/dbraw/zinc/07/93/32/170079332.db2.gz LCAXQPJGSCIVJV-UHFFFAOYSA-N -1 0 281.670 2.387 50 0 CEAARM C[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)[O-] ZINC000005270430 170081548 /nfs/dbraw/zinc/08/15/48/170081548.db2.gz FEUJHIWZKDKUCH-VIFPVBQESA-N -1 0 295.294 2.101 50 0 CEAARM O=C(COc1ccccc1)[N-]OCc1ccccc1 ZINC000005736896 170135581 /nfs/dbraw/zinc/13/55/81/170135581.db2.gz HHWLGFNKSLLZGM-UHFFFAOYSA-N -1 0 257.289 2.313 50 0 CEAARM CCCCCCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006042149 170170736 /nfs/dbraw/zinc/17/07/36/170170736.db2.gz XGOOGILWANDIKI-NWDGAFQWSA-N -1 0 253.342 2.350 50 0 CEAARM CCN(CC)S(=O)(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000006146732 170179212 /nfs/dbraw/zinc/17/92/12/170179212.db2.gz RMAIEOGUVZGPNG-UHFFFAOYSA-N -1 0 286.378 2.147 50 0 CEAARM O=C([O-])c1ccc(C[S@@](=O)c2ccccc2)o1 ZINC000006344699 170194438 /nfs/dbraw/zinc/19/44/38/170194438.db2.gz LCURHPLNBBIAJV-KRWDZBQOSA-N -1 0 250.275 2.286 50 0 CEAARM Cc1cc(O[C@@H](C)C(=O)[O-])nc(-c2ccccc2)n1 ZINC000006922237 170255397 /nfs/dbraw/zinc/25/53/97/170255397.db2.gz MPBCOLDQMXNXFC-JTQLQIEISA-N -1 0 258.277 2.304 50 0 CEAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCc2ccccc2C1 ZINC000009850143 170386647 /nfs/dbraw/zinc/38/66/47/170386647.db2.gz VJIXNJHZOCTAQV-LLVKDONJSA-N -1 0 261.321 2.072 50 0 CEAARM O=C([O-])c1ccc2c(=O)[nH]c(Cc3cccs3)nc2c1 ZINC000012788397 170510740 /nfs/dbraw/zinc/51/07/40/170510740.db2.gz SUGCAFUNHJOHDI-UHFFFAOYSA-N -1 0 286.312 2.274 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000013320249 170543414 /nfs/dbraw/zinc/54/34/14/170543414.db2.gz ZEKURYLVZVODDD-CABCVRRESA-N -1 0 285.343 2.238 50 0 CEAARM CC(C)(C)OC(=O)Nc1cnc(F)cc1C(=O)[O-] ZINC000013367331 170546951 /nfs/dbraw/zinc/54/69/51/170546951.db2.gz KGJLIDFAPYTBDU-UHFFFAOYSA-N -1 0 256.233 2.266 50 0 CEAARM O=C([O-])c1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 ZINC000019263336 170763128 /nfs/dbraw/zinc/76/31/28/170763128.db2.gz WYWDEILLKCOCRV-CQSZACIVSA-N -1 0 283.283 2.327 50 0 CEAARM O=C([O-])c1ccc(-c2ccccc2CN2CCOCC2)nc1 ZINC000020166495 171040829 /nfs/dbraw/zinc/04/08/29/171040829.db2.gz WTYDTIGZHOGJJG-UHFFFAOYSA-N -1 0 298.342 2.279 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000020200214 171064156 /nfs/dbraw/zinc/06/41/56/171064156.db2.gz QXZIFOFIOQUYKU-CQSZACIVSA-N -1 0 275.348 2.333 50 0 CEAARM COc1ccccc1C(=O)Nc1nc(C(=O)[O-])cs1 ZINC000020332346 171151734 /nfs/dbraw/zinc/15/17/34/171151734.db2.gz FQGWSUSJPKNODB-UHFFFAOYSA-N -1 0 278.289 2.102 50 0 CEAARM COc1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1C ZINC000037329676 173130567 /nfs/dbraw/zinc/13/05/67/173130567.db2.gz CDKTWGGAQDKNCX-UHFFFAOYSA-N -1 0 277.320 2.131 50 0 CEAARM Cc1oc(CNC(=O)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000038059729 174069850 /nfs/dbraw/zinc/06/98/50/174069850.db2.gz YBDNHKQXDPVBDF-UHFFFAOYSA-N -1 0 291.278 2.284 50 0 CEAARM O=C([O-])[C@H](c1ccc(F)cc1)N1Cc2cccnc2C1=O ZINC000040449784 174265837 /nfs/dbraw/zinc/26/58/37/174265837.db2.gz COJUMNILLDSWCX-ZDUSSCGKSA-N -1 0 286.262 2.002 50 0 CEAARM Cc1cc(C)cc([C@H](NC(=O)[C@H]2C[C@@H]2C)C(=O)[O-])c1 ZINC000653666343 415068746 /nfs/dbraw/zinc/06/87/46/415068746.db2.gz XPNHETLLJSUUGJ-DRZSPHRISA-N -1 0 261.321 2.201 50 0 CEAARM Cc1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000043509018 175059869 /nfs/dbraw/zinc/05/98/69/175059869.db2.gz FTSSNNWTFDFHOR-OAHLLOKOSA-N -1 0 293.388 2.004 50 0 CEAARM Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043583826 175070381 /nfs/dbraw/zinc/07/03/81/175070381.db2.gz ZHUJRZLTWWIRAM-JTQLQIEISA-N -1 0 298.770 2.396 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000043583946 175071193 /nfs/dbraw/zinc/07/11/93/175071193.db2.gz KAAXUTHTSTUBQR-LLVKDONJSA-N -1 0 281.377 2.394 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000043583949 175071201 /nfs/dbraw/zinc/07/12/01/175071201.db2.gz KAAXUTHTSTUBQR-NSHDSACASA-N -1 0 281.377 2.394 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000062117211 175663340 /nfs/dbraw/zinc/66/33/40/175663340.db2.gz DDZZMPWPPKKXFS-JTQLQIEISA-N -1 0 279.361 2.174 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000062117371 175663508 /nfs/dbraw/zinc/66/35/08/175663508.db2.gz MQFQACSIGUUNLL-VIFPVBQESA-N -1 0 287.237 2.252 50 0 CEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NC1CCCC1 ZINC000064983729 175699942 /nfs/dbraw/zinc/69/99/42/175699942.db2.gz HWZBTKVTMDEMAS-UHFFFAOYSA-N -1 0 278.352 2.116 50 0 CEAARM CN(C[C@@H]1CCc2ccccc21)C(=O)C(C)(C)C(=O)[O-] ZINC000659233971 415467973 /nfs/dbraw/zinc/46/79/73/415467973.db2.gz PDUPTFMBXGMKES-LBPRGKRZSA-N -1 0 275.348 2.286 50 0 CEAARM CCc1ccccc1C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000659244865 415472119 /nfs/dbraw/zinc/47/21/19/415472119.db2.gz PMVKFGPJWUDNRO-MXYBEHONSA-N -1 0 287.359 2.478 50 0 CEAARM O=C([O-])CCCCNC(=O)c1ccc(Br)o1 ZINC000070191263 175881671 /nfs/dbraw/zinc/88/16/71/175881671.db2.gz ANFDCEUNVMOHMV-UHFFFAOYSA-N -1 0 290.113 2.027 50 0 CEAARM CC(C)n1nccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071279296 176108308 /nfs/dbraw/zinc/10/83/08/176108308.db2.gz ONRVPTMSAOJQEK-UHFFFAOYSA-N -1 0 287.319 2.343 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N=c1[nH]c2ccccc2s1 ZINC000071280436 176108811 /nfs/dbraw/zinc/10/88/11/176108811.db2.gz GNOPELTXPIOQHW-UWVGGRQHSA-N -1 0 290.344 2.014 50 0 CEAARM O=C([O-])c1ccc(OC2COC2)c(C(F)(F)F)c1 ZINC000071792055 176263373 /nfs/dbraw/zinc/26/33/73/176263373.db2.gz SUZFUXPJVLDKBM-UHFFFAOYSA-N -1 0 262.183 2.181 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-] ZINC000033414778 278441158 /nfs/dbraw/zinc/44/11/58/278441158.db2.gz BWIMUIWFDXMFLE-XFWSIPNHSA-N -1 0 255.314 2.010 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1cccc(F)c1 ZINC000208205352 280206082 /nfs/dbraw/zinc/20/60/82/280206082.db2.gz RCWIFFBYMLCCMI-MEJMFZKBSA-N -1 0 277.295 2.305 50 0 CEAARM CC[C@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000095989964 288216506 /nfs/dbraw/zinc/21/65/06/288216506.db2.gz YCLBPQFMDZXKEH-NSHDSACASA-N -1 0 276.336 2.432 50 0 CEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000062851419 292661584 /nfs/dbraw/zinc/66/15/84/292661584.db2.gz AQOQGWDUHSPKTE-AWEZNQCLSA-N -1 0 287.356 2.125 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000005528214 297354597 /nfs/dbraw/zinc/35/45/97/297354597.db2.gz VHLOFPCUCDQZIB-XQHKEYJVSA-N -1 0 267.369 2.382 50 0 CEAARM C[C@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000279666 298219362 /nfs/dbraw/zinc/21/93/62/298219362.db2.gz PWXYCRJLKZLHNH-JGVFFNPUSA-N -1 0 292.360 2.228 50 0 CEAARM Cc1cc(C)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])[nH]1 ZINC000097035528 301169893 /nfs/dbraw/zinc/16/98/93/301169893.db2.gz WMWOUYYAJPWSOQ-AWEZNQCLSA-N -1 0 298.342 2.283 50 0 CEAARM Cc1cc(Cl)ccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000001985785 301290560 /nfs/dbraw/zinc/29/05/60/301290560.db2.gz JXCVTVMOXHTEHB-QMMMGPOBSA-N -1 0 253.685 2.086 50 0 CEAARM COc1ccc(N(C)C(=O)c2ncccc2[O-])cc1F ZINC000131916170 321698593 /nfs/dbraw/zinc/69/85/93/321698593.db2.gz ZSBGTZAFZZRUNV-UHFFFAOYSA-N -1 0 276.267 2.212 50 0 CEAARM O=S(=O)(C=C([O-])c1ccccc1)Cc1ccccc1 ZINC000000399887 326791949 /nfs/dbraw/zinc/79/19/49/326791949.db2.gz BLPXWHLBRZPMDC-UHFFFAOYSA-N 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ZINC000155806629 188228457 /nfs/dbraw/zinc/22/84/57/188228457.db2.gz VPSHKDHPYIYARY-JTQLQIEISA-N -1 0 282.365 2.031 50 0 CEAARM CC(C)C[C@@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000131765608 366087674 /nfs/dbraw/zinc/08/76/74/366087674.db2.gz FOKAYTZDFQZWRN-JTQLQIEISA-N -1 0 294.376 2.253 50 0 CEAARM O=C([O-])C1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000037433204 304041555 /nfs/dbraw/zinc/04/15/55/304041555.db2.gz BATCZTQETSBVRN-HNNXBMFYSA-N -1 0 287.359 2.430 50 0 CEAARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])n2ccnc2)cc1 ZINC000195792582 540211994 /nfs/dbraw/zinc/21/19/94/540211994.db2.gz CCRABWFPDVZZEN-LBPRGKRZSA-N -1 0 258.277 2.090 50 0 CEAARM CC(C)[C@H](C)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000133874970 366264045 /nfs/dbraw/zinc/26/40/45/366264045.db2.gz KWFCUHNJDKVVGR-JQWIXIFHSA-N -1 0 261.321 2.494 50 0 CEAARM CS(=O)(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575618571 366304867 /nfs/dbraw/zinc/30/48/67/366304867.db2.gz DFFXQGCWKZRGHP-UHFFFAOYSA-N -1 0 291.376 2.258 50 0 CEAARM C[C@@]12CCC(=O)N1[C@@H](C(=O)[O-])Cc1c3ccccc3[nH]c12 ZINC000002631691 538747398 /nfs/dbraw/zinc/74/73/98/538747398.db2.gz NZDWCAYIVCYIPK-WBMJQRKESA-N -1 0 284.315 2.015 50 0 CEAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000136133854 366497401 /nfs/dbraw/zinc/49/74/01/366497401.db2.gz RQZFKDFYSAWXAX-TUAOUCFPSA-N -1 0 293.388 2.483 50 0 CEAARM O=C(c1s[n-]c(=O)c1Cl)N1CCC(CF)CC1 ZINC000296853186 200015917 /nfs/dbraw/zinc/01/59/17/200015917.db2.gz IUAHSZHBUSAMJT-UHFFFAOYSA-N -1 0 278.736 2.324 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)c1ccccc1)C(=O)[O-] ZINC000002583165 169814105 /nfs/dbraw/zinc/81/41/05/169814105.db2.gz UYBVBOASUUTFDS-LLVKDONJSA-N -1 0 293.319 2.237 50 0 CEAARM CO[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000177953511 189081808 /nfs/dbraw/zinc/08/18/08/189081808.db2.gz PIRIPWZFCDLIRG-MRZGDXHCSA-N -1 0 289.331 2.035 50 0 CEAARM Cc1c(C(=O)N2CCCC[C@@H]2C(=O)[O-])cnn1C(C)(C)C ZINC000180168494 189240954 /nfs/dbraw/zinc/24/09/54/189240954.db2.gz FRAUYPBTOMQIBR-GFCCVEGCSA-N -1 0 293.367 2.026 50 0 CEAARM O=C([O-])CSCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000000156453 361137139 /nfs/dbraw/zinc/13/71/39/361137139.db2.gz QPFJNOBUTXNFMJ-UHFFFAOYSA-N -1 0 291.275 2.044 50 0 CEAARM COc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000168749 361138664 /nfs/dbraw/zinc/13/86/64/361138664.db2.gz DCJSHKQYJZNXTJ-QWRGUYRKSA-N -1 0 275.304 2.301 50 0 CEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1 ZINC000000278452 361155907 /nfs/dbraw/zinc/15/59/07/361155907.db2.gz YVOZBHZIECSAFS-LBPRGKRZSA-N -1 0 289.287 2.234 50 0 CEAARM Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)[O-] ZINC000000083696 361125368 /nfs/dbraw/zinc/12/53/68/361125368.db2.gz NDCUMIWQWHIBAL-UHFFFAOYSA-N -1 0 294.694 2.118 50 0 in-vitro CEAARM CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000000386196 361168250 /nfs/dbraw/zinc/16/82/50/361168250.db2.gz HSRVLJBCHYKOGI-UHFFFAOYSA-N -1 0 297.357 2.271 50 0 CEAARM O=C([O-])CSCC(=O)Nc1nc2ccccc2s1 ZINC000000417634 361172701 /nfs/dbraw/zinc/17/27/01/361172701.db2.gz YWFNFDFOIRNHNV-UHFFFAOYSA-N -1 0 282.346 2.053 50 0 CEAARM O=C([O-])c1cccc(NC(=O)c2ccccc2)c1O ZINC000001429478 361205103 /nfs/dbraw/zinc/20/51/03/361205103.db2.gz ZIRLPQKKFAQFCV-UHFFFAOYSA-N -1 0 257.245 2.343 50 0 in-vitro CEAARM Cc1ccc2sc(NC(=O)/C=C/C(=O)[O-])nc2c1 ZINC000000369270 361166276 /nfs/dbraw/zinc/16/62/76/361166276.db2.gz JWECYYLYQPHYCV-SNAWJCMRSA-N -1 0 262.290 2.184 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCCc1ccccc1 ZINC000002754036 361248091 /nfs/dbraw/zinc/24/80/91/361248091.db2.gz FLPWPJHCBYPVKL-LSDHHAIUSA-N -1 0 287.359 2.402 50 0 CEAARM CCOC(=O)[C@H](CC(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000002163716 361229092 /nfs/dbraw/zinc/22/90/92/361229092.db2.gz WTGXEUPAOWVTTM-GXFFZTMASA-N -1 0 280.320 2.453 50 0 CEAARM O=C([O-])C[C@@H](C(=O)Nc1ccc(F)cc1)[C@H]1CCCO1 ZINC000002334851 361233483 /nfs/dbraw/zinc/23/34/83/361233483.db2.gz RCUGEKXAARDIMT-VXGBXAGGSA-N -1 0 281.283 2.034 50 0 CEAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000002345810 361233615 /nfs/dbraw/zinc/23/36/15/361233615.db2.gz UPDOIDZVEJYGMU-LRUQUBRESA-N -1 0 277.301 2.196 50 0 CEAARM O=C([O-])COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000002574795 361241227 /nfs/dbraw/zinc/24/12/27/361241227.db2.gz VSLUULHUGBODEF-UHFFFAOYSA-N -1 0 274.272 2.135 50 0 CEAARM COC(=O)C=C([O-])c1ccccc1Br ZINC000002575876 361241347 /nfs/dbraw/zinc/24/13/47/361241347.db2.gz QMLPQBSYXCTIEC-UHFFFAOYSA-N -1 0 257.083 2.195 50 0 CEAARM CC(C)(C)OC(=O)N1CSC(C)(C)[C@@H]1C(=O)[O-] ZINC000002583076 361242874 /nfs/dbraw/zinc/24/28/74/361242874.db2.gz FZSPELSRTNXPPY-ZETCQYMHSA-N -1 0 261.343 2.160 50 0 CEAARM CCCCn1c2ccccc2nc(CCC(=O)[O-])c1=O ZINC000003316814 361273977 /nfs/dbraw/zinc/27/39/77/361273977.db2.gz OPPOBVTXRUNODU-UHFFFAOYSA-N -1 0 274.320 2.214 50 0 CEAARM Cc1nnc(SCC(=O)[O-])n1-c1ccc(C)cc1 ZINC000003338721 361275339 /nfs/dbraw/zinc/27/53/39/361275339.db2.gz VGYSKBOFFYSREU-UHFFFAOYSA-N -1 0 263.322 2.061 50 0 CEAARM CC(C)NC(=O)CSc1ccccc1C(=O)[O-] ZINC000003445837 361280156 /nfs/dbraw/zinc/28/01/56/361280156.db2.gz AUFOOQXJWXGQLB-UHFFFAOYSA-N -1 0 253.323 2.002 50 0 CEAARM O=C([O-])c1ccc(OC(=O)c2ccc(O)cc2)cc1 ZINC000003156317 361265907 /nfs/dbraw/zinc/26/59/07/361265907.db2.gz XEWYFIXXJRNLJV-UHFFFAOYSA-N -1 0 258.229 2.310 50 0 CEAARM CC(=O)NCCCCCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004015761 361297734 /nfs/dbraw/zinc/29/77/34/361297734.db2.gz ZAYKPQNRKUJDLJ-UHFFFAOYSA-N -1 0 292.335 2.020 50 0 CEAARM O=c1[n-]nc(COc2ccc(Br)cc2)o1 ZINC000005997053 361335355 /nfs/dbraw/zinc/33/53/55/361335355.db2.gz NDFWIWJDJCDQAN-UHFFFAOYSA-N -1 0 271.070 2.117 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000011891426 361368634 /nfs/dbraw/zinc/36/86/34/361368634.db2.gz ZLYXWUNQWRXGGZ-MRVPVSSYSA-N -1 0 285.702 2.416 50 0 CEAARM O=C([O-])c1cnn(Cc2ccc(Br)cc2)c1 ZINC000011920456 361369002 /nfs/dbraw/zinc/36/90/02/361369002.db2.gz YIISSXHEMUEORU-UHFFFAOYSA-N -1 0 281.109 2.392 50 0 CEAARM CSc1cccc([N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000011923784 361370211 /nfs/dbraw/zinc/37/02/11/361370211.db2.gz UTZSCUQRHLDMFG-UHFFFAOYSA-N -1 0 297.405 2.251 50 0 CEAARM CCc1c(C(=O)[O-])nnn1-c1cccc(Br)c1 ZINC000011758864 361363691 /nfs/dbraw/zinc/36/36/91/361363691.db2.gz JLPWVCAYADODBI-UHFFFAOYSA-N -1 0 296.124 2.290 50 0 CEAARM Nc1ccccc1-c1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000012554452 361390954 /nfs/dbraw/zinc/39/09/54/361390954.db2.gz WJSXDVZRFBVDKQ-UHFFFAOYSA-N -1 0 278.315 2.005 50 0 CEAARM Cc1nn(CC(F)F)c2nc(C)cc(C(=O)[O-])c12 ZINC000012396391 361383070 /nfs/dbraw/zinc/38/30/70/361383070.db2.gz NYZQFFKXCVGLMR-UHFFFAOYSA-N -1 0 255.224 2.011 50 0 CEAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccccc2)c1 ZINC000012741006 361397848 /nfs/dbraw/zinc/39/78/48/361397848.db2.gz VCMCEAMZBFHRDJ-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000012781750 361400323 /nfs/dbraw/zinc/40/03/23/361400323.db2.gz VWYMWGKJPPUNQM-NEPJUHHUSA-N -1 0 285.303 2.168 50 0 CEAARM C[C@@]12C(=O)N(c3ccccc3C(=O)[O-])C(=O)[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000013147342 361420904 /nfs/dbraw/zinc/42/09/04/361420904.db2.gz YVSRNXBYRZALSN-FFKBBGQRSA-N -1 0 297.310 2.086 50 0 CEAARM CSCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167367 361422287 /nfs/dbraw/zinc/42/22/87/361422287.db2.gz GQNBCYMPWUBEEU-UHFFFAOYSA-N -1 0 293.388 2.486 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000013260704 361423297 /nfs/dbraw/zinc/42/32/97/361423297.db2.gz HYADBZMQYURYOU-AWEZNQCLSA-N -1 0 298.342 2.414 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000013259374 361423526 /nfs/dbraw/zinc/42/35/26/361423526.db2.gz VKBOINBJTKQYHR-AWEZNQCLSA-N -1 0 284.315 2.167 50 0 CEAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC2)cc1 ZINC000013178946 361423742 /nfs/dbraw/zinc/42/37/42/361423742.db2.gz XHIYOMJKKNFPNN-CYBMUJFWSA-N -1 0 261.321 2.427 50 0 CEAARM O=C(NC1C(=O)c2ccccc2N=C1[O-])c1ccco1 ZINC000013637815 361435005 /nfs/dbraw/zinc/43/50/05/361435005.db2.gz NXKWOZFITVFDET-UHFFFAOYSA-N -1 0 270.244 2.491 50 0 CEAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000016623821 361494233 /nfs/dbraw/zinc/49/42/33/361494233.db2.gz CBXORNZFQLWVFN-UHFFFAOYSA-N -1 0 296.348 2.409 50 0 CEAARM NC(=O)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000015636567 361476769 /nfs/dbraw/zinc/47/67/69/361476769.db2.gz UVHDSYUBTMKAIE-UHFFFAOYSA-N -1 0 287.159 2.098 50 0 CEAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccccc1 ZINC000019518446 361541164 /nfs/dbraw/zinc/54/11/64/361541164.db2.gz YHVORCIBKFUBOB-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM CCn1cc([N-]S(=O)(=O)c2ccccc2Cl)cn1 ZINC000024577397 361611401 /nfs/dbraw/zinc/61/14/01/361611401.db2.gz CNOFSDKAXOLCSR-UHFFFAOYSA-N -1 0 285.756 2.357 50 0 CEAARM Cc1nc2ccn(-c3ccccc3)c(=O)c2cc1C(=O)[O-] ZINC000020153980 361582114 /nfs/dbraw/zinc/58/21/14/361582114.db2.gz BYSJQOKRERVOLV-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000024986149 361617218 /nfs/dbraw/zinc/61/72/18/361617218.db2.gz HHEZPAILJVFLCS-UHFFFAOYSA-N -1 0 287.291 2.106 50 0 CEAARM CC(C)[C@H](NC(=O)c1sccc1Cl)C(=O)[O-] ZINC000087720836 363867247 /nfs/dbraw/zinc/86/72/47/363867247.db2.gz ABPTYGPCGOVCMV-ZETCQYMHSA-N -1 0 261.730 2.241 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000089381775 363959161 /nfs/dbraw/zinc/95/91/61/363959161.db2.gz VTBUPFPBYWYTQE-WDEREUQCSA-N -1 0 287.315 2.174 50 0 CEAARM CCC[C@@H](NC(=O)c1ccc(C)cc1C)c1nnn[n-]1 ZINC000089949669 364022527 /nfs/dbraw/zinc/02/25/27/364022527.db2.gz VCFYOQGYNMUYDP-GFCCVEGCSA-N -1 0 273.340 2.088 50 0 CEAARM CCn1nc(C)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000090122791 364041916 /nfs/dbraw/zinc/04/19/16/364041916.db2.gz COPJFUBXRLGAGK-UHFFFAOYSA-N -1 0 273.292 2.162 50 0 CEAARM CSC[C@@H](C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237354085 370715329 /nfs/dbraw/zinc/71/53/29/370715329.db2.gz PWXLBRBHERLAGH-MNOVXSKESA-N -1 0 273.398 2.231 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237441038 370720996 /nfs/dbraw/zinc/72/09/96/370720996.db2.gz UIULGSVFZNOMMG-BXUZGUMPSA-N -1 0 291.347 2.202 50 0 CEAARM C[C@@H]1CC[C@@H](CCC(=O)NC(C)(C)CCC(=O)[O-])O1 ZINC000237433468 370721265 /nfs/dbraw/zinc/72/12/65/370721265.db2.gz PAZDOIZPBVBURP-MNOVXSKESA-N -1 0 271.357 2.094 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237440519 370721312 /nfs/dbraw/zinc/72/13/12/370721312.db2.gz KCQWYDACXVOHOL-MWLCHTKSSA-N -1 0 297.301 2.424 50 0 CEAARM Cc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cc1F ZINC000237463825 370724266 /nfs/dbraw/zinc/72/42/66/370724266.db2.gz LEJWOQHMDMHNDX-JTQLQIEISA-N -1 0 279.311 2.459 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 ZINC000237953183 370763057 /nfs/dbraw/zinc/76/30/57/370763057.db2.gz GQANPKVATHABLE-FGEFZZPRSA-N -1 0 295.285 2.301 50 0 CEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CC1 ZINC000237681486 370744289 /nfs/dbraw/zinc/74/42/89/370744289.db2.gz BDXSDLCJGWHRIG-ZIAGYGMSSA-N -1 0 273.332 2.174 50 0 CEAARM Cn1c(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000237715055 370746339 /nfs/dbraw/zinc/74/63/39/370746339.db2.gz LGCAKBIVZIOEBA-ZDUSSCGKSA-N -1 0 298.342 2.239 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(F)c(F)c1F ZINC000094183593 364255159 /nfs/dbraw/zinc/25/51/59/364255159.db2.gz LCUBPELLXRJRMB-ZETCQYMHSA-N -1 0 289.253 2.429 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000095031163 364324729 /nfs/dbraw/zinc/32/47/29/364324729.db2.gz DKZCDYVVFJAIKU-STQMWFEESA-N -1 0 283.368 2.049 50 0 CEAARM CCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nnn[n-]1 ZINC000095287760 364341977 /nfs/dbraw/zinc/34/19/77/364341977.db2.gz IFNIREIELAEBKZ-SNVBAGLBSA-N -1 0 285.307 2.217 50 0 CEAARM CCC[C@H](NC(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000094913545 364308510 /nfs/dbraw/zinc/30/85/10/364308510.db2.gz BJTHPWQEBHPPTA-NSHDSACASA-N -1 0 253.273 2.117 50 0 CEAARM O=C([O-])CC1(NC(=O)[C@@H]2CC23CCCC3)CCC1 ZINC000095424886 364370301 /nfs/dbraw/zinc/37/03/01/364370301.db2.gz CCZPSGLHUOYGGF-JTQLQIEISA-N -1 0 251.326 2.080 50 0 CEAARM C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000095424730 364371003 /nfs/dbraw/zinc/37/10/03/364371003.db2.gz JTJPSRQEKXHISM-LPEHRKFASA-N -1 0 267.350 2.221 50 0 CEAARM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccccc1 ZINC000095425560 364371366 /nfs/dbraw/zinc/37/13/66/364371366.db2.gz LDJLXBJQBDOBEP-BFHYXJOUSA-N -1 0 299.326 2.368 50 0 CEAARM CCC(CC)(CNC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000095972853 364394467 /nfs/dbraw/zinc/39/44/67/364394467.db2.gz FKFUEOPDRFFHKR-UHFFFAOYSA-N -1 0 284.381 2.001 50 0 CEAARM CC(C)(C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000097039437 364428671 /nfs/dbraw/zinc/42/86/71/364428671.db2.gz KAUQBLLHMGSLDL-GXFFZTMASA-N -1 0 293.338 2.473 50 0 CEAARM C[C@H](c1cccnc1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000097259384 364488017 /nfs/dbraw/zinc/48/80/17/364488017.db2.gz AUOXVEPGYZSUKA-LLVKDONJSA-N -1 0 271.320 2.368 50 0 CEAARM CC[C@H](C)Cc1nc(CC(F)(F)F)n(CC(=O)[O-])n1 ZINC000097301369 364490189 /nfs/dbraw/zinc/49/01/89/364490189.db2.gz KSIPZHODCAAECP-ZETCQYMHSA-N -1 0 279.262 2.056 50 0 CEAARM Cn1cc(-c2cnc3ccc(C(=O)[O-])cc3c2)cn1 ZINC000098213231 364538342 /nfs/dbraw/zinc/53/83/42/364538342.db2.gz PSYLXNSIVMPPBR-UHFFFAOYSA-N -1 0 253.261 2.334 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000226850743 304117268 /nfs/dbraw/zinc/11/72/68/304117268.db2.gz LADFQHXIMILKGF-NQBHXWOUSA-N -1 0 289.331 2.127 50 0 CEAARM O=C([O-])c1cccc(CN2CCO[C@H](c3cccnc3)C2)c1 ZINC000102544454 364599043 /nfs/dbraw/zinc/59/90/43/364599043.db2.gz CTTZNOUVIIIVPK-INIZCTEOSA-N -1 0 298.342 2.353 50 0 CEAARM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000244274230 370791309 /nfs/dbraw/zinc/79/13/09/370791309.db2.gz WQFQGYNTAASRNQ-UHFFFAOYSA-N -1 0 273.310 2.280 50 0 CEAARM COc1cc(NS(=O)(=O)c2ccc(O)cc2)ccc1F ZINC000160450240 367006320 /nfs/dbraw/zinc/00/63/20/367006320.db2.gz MMOXBSNKZQGVHN-UHFFFAOYSA-N -1 0 297.307 2.341 50 0 CEAARM Cc1nocc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000585119205 367180808 /nfs/dbraw/zinc/18/08/08/367180808.db2.gz WVPXPEVCVAAJBG-UHFFFAOYSA-N -1 0 266.322 2.401 50 0 CEAARM Cc1ccc2[nH]c(C(=O)NC3(C(=O)[O-])CC3)cc2c1C ZINC000170066661 367375536 /nfs/dbraw/zinc/37/55/36/367375536.db2.gz SRISEUFMRONDMY-UHFFFAOYSA-N -1 0 272.304 2.132 50 0 CEAARM Cc1ccc(S[C@H](C)C(=O)N(C)CC(=O)[O-])cc1 ZINC000345210951 368195236 /nfs/dbraw/zinc/19/52/36/368195236.db2.gz NJEXWCHVKXSLGG-SNVBAGLBSA-N -1 0 267.350 2.019 50 0 CEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C1CCC=CCC1 ZINC000634803140 368892042 /nfs/dbraw/zinc/89/20/42/368892042.db2.gz HLPIXLFVARBQRM-CQSZACIVSA-N -1 0 295.379 2.215 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000262582687 304146672 /nfs/dbraw/zinc/14/66/72/304146672.db2.gz FYXJNXTYCJHNGV-KKZNHRDASA-N -1 0 295.335 2.200 50 0 CEAARM CNc1ccnc(-c2ccc(CCC(=O)[O-])cc2)n1 ZINC000215887161 370180753 /nfs/dbraw/zinc/18/07/53/370180753.db2.gz STBBYMJCKKBLNM-UHFFFAOYSA-N -1 0 257.293 2.203 50 0 CEAARM CC1(NC(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCC1 ZINC000222167155 370252161 /nfs/dbraw/zinc/25/21/61/370252161.db2.gz PQZOOBDJVMCOOE-YVMONPNESA-N -1 0 259.305 2.457 50 0 CEAARM Cc1noc(C)c1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250947087 371394361 /nfs/dbraw/zinc/39/43/61/371394361.db2.gz BZIOBVSIAGISLS-TUAOUCFPSA-N -1 0 292.335 2.149 50 0 CEAARM O=c1[n-]nc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)o1 ZINC000253415646 371517963 /nfs/dbraw/zinc/51/79/63/371517963.db2.gz PIBAQKHESXUDAA-SNVBAGLBSA-N -1 0 295.289 2.021 50 0 CEAARM CN1C(=O)[C@@H]2CC=CC[C@]2(C(=O)[O-])[C@H]1c1ccccc1 ZINC000253612793 371532402 /nfs/dbraw/zinc/53/24/02/371532402.db2.gz SKNILECKEROAPM-WOSRLPQWSA-N -1 0 271.316 2.237 50 0 CEAARM Cc1ccc2oc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2n1 ZINC000261880398 371759385 /nfs/dbraw/zinc/75/93/85/371759385.db2.gz UDRYRJWGJARLPW-SNVBAGLBSA-N -1 0 288.303 2.073 50 0 CEAARM Cc1cc2nc(N3CC[C@H](C(=O)[O-])C3)oc2c(C)c1 ZINC000263486037 371937603 /nfs/dbraw/zinc/93/76/03/371937603.db2.gz HLDWMGUIDGKAFQ-JTQLQIEISA-N -1 0 260.293 2.356 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000237948908 189894289 /nfs/dbraw/zinc/89/42/89/189894289.db2.gz RAZHRLTVVMSVTB-LLVKDONJSA-N -1 0 281.739 2.206 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000136501774 304177614 /nfs/dbraw/zinc/17/76/14/304177614.db2.gz BXDPUVZBYGWYRZ-MGPQQGTHSA-N -1 0 291.322 2.395 50 0 CEAARM O=C([O-])[C@H]1CCCN1c1ncnc2sc3c(c21)CCC3 ZINC000057630962 304188901 /nfs/dbraw/zinc/18/89/01/304188901.db2.gz VJNLSIXHWSRHDZ-SECBINFHSA-N -1 0 289.360 2.233 50 0 CEAARM Cc1cccc([C@@H](NC(=O)NC2CCCC2)C(=O)[O-])c1 ZINC000426489953 377410839 /nfs/dbraw/zinc/41/08/39/377410839.db2.gz CMGIRGSRZJWORQ-CYBMUJFWSA-N -1 0 276.336 2.363 50 0 CEAARM Cc1ccc(SCCN(C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000426497009 377413204 /nfs/dbraw/zinc/41/32/04/377413204.db2.gz SMJBFQWFPITKHL-NSHDSACASA-N -1 0 296.392 2.202 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)c2cccc3c2OCO3)c1 ZINC000299741481 379125543 /nfs/dbraw/zinc/12/55/43/379125543.db2.gz FEQFZRIAYOAIER-UHFFFAOYSA-N -1 0 299.282 2.044 50 0 CEAARM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1C)C(=O)[O-] ZINC000299747345 379127078 /nfs/dbraw/zinc/12/70/78/379127078.db2.gz CSHNCKSVJZFMKB-YRGRVCCFSA-N -1 0 275.348 2.392 50 0 CEAARM O=C([O-])c1cc(Br)cnc1Br ZINC000004287785 304221561 /nfs/dbraw/zinc/22/15/61/304221561.db2.gz BRPWRSWAXHWEPS-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM CCOc1ccc2nc(NC(=O)CCC(=O)[O-])sc2c1 ZINC000000297345 169600639 /nfs/dbraw/zinc/60/06/39/169600639.db2.gz BYSJHDPKXPBWCI-UHFFFAOYSA-N -1 0 294.332 2.498 50 0 CEAARM COc1ccc2nc(NC(=O)CCCC(=O)[O-])sc2c1 ZINC000000380780 169624010 /nfs/dbraw/zinc/62/40/10/169624010.db2.gz MVBYUSBQMSXPKK-UHFFFAOYSA-N -1 0 294.332 2.498 50 0 CEAARM Cc1ccc(-c2ccc(=O)n(CCC(=O)[O-])n2)cc1C ZINC000000390164 169627332 /nfs/dbraw/zinc/62/73/32/169627332.db2.gz FGAIKOYMZOBGLR-UHFFFAOYSA-N -1 0 272.304 2.002 50 0 CEAARM C[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC000239135307 296377609 /nfs/dbraw/zinc/37/76/09/296377609.db2.gz LASNXWQAJQTKSB-GRYCIOLGSA-N -1 0 253.342 2.136 50 0 CEAARM O=C([O-])c1cccc(-n2ncc(Cl)c(Cl)c2=O)c1 ZINC000001572004 304255446 /nfs/dbraw/zinc/25/54/46/304255446.db2.gz UCDIWDQNHGPZLN-UHFFFAOYSA-N -1 0 285.086 2.238 50 0 CEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000238210079 304257508 /nfs/dbraw/zinc/25/75/08/304257508.db2.gz YKBYFMWNLBAPAN-MCIONIFRSA-N -1 0 289.331 2.072 50 0 CEAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000040488307 285172061 /nfs/dbraw/zinc/17/20/61/285172061.db2.gz YRCZONGBUJPEGY-BXKDBHETSA-N -1 0 267.712 2.334 50 0 CEAARM O=C([O-])c1cn(-c2ccc(Br)cc2)cn1 ZINC000050225930 304273771 /nfs/dbraw/zinc/27/37/71/304273771.db2.gz BOXLOBBFTWDLPD-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM CCOc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCOCC1 ZINC000095352630 256779103 /nfs/dbraw/zinc/77/91/03/256779103.db2.gz ZIDXXCMFTFMQHD-CYBMUJFWSA-N -1 0 299.754 2.197 50 0 CEAARM O=C([O-])c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F ZINC000049452938 304280103 /nfs/dbraw/zinc/28/01/03/304280103.db2.gz VQKIMLQGJTZVLZ-UHFFFAOYSA-N -1 0 299.130 2.465 50 0 CEAARM O=C([O-])c1nc(-c2ccco2)ncc1Br ZINC000058042028 304283071 /nfs/dbraw/zinc/28/30/71/304283071.db2.gz HTFJUZFDOWIVHN-UHFFFAOYSA-N -1 0 269.054 2.197 50 0 CEAARM O=C([O-])c1nn(-c2ccc(F)cc2)cc1Br ZINC000035452574 304284353 /nfs/dbraw/zinc/28/43/53/304284353.db2.gz SFVBKMGQINVBER-UHFFFAOYSA-N -1 0 285.072 2.472 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000238129301 131077606 /nfs/dbraw/zinc/07/76/06/131077606.db2.gz CHIBVVDYTQDZHD-CHWSQXEVSA-N -1 0 295.310 2.027 50 0 CEAARM CC[C@H](NC(=O)[C@H]1C[C@H]1c1sccc1C)C(=O)[O-] ZINC000252485872 131134918 /nfs/dbraw/zinc/13/49/18/131134918.db2.gz BGQVJXHHPHWTCU-UTLUCORTSA-N -1 0 267.350 2.139 50 0 CEAARM C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262153507 131194973 /nfs/dbraw/zinc/19/49/73/131194973.db2.gz RPUSEJGLJFIKRH-ZWNOBZJWSA-N -1 0 279.311 2.080 50 0 CEAARM Cc1ocnc1C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1C ZINC000262937481 131274889 /nfs/dbraw/zinc/27/48/89/131274889.db2.gz GJXKSBVRCXNHMA-ZDUSSCGKSA-N -1 0 288.303 2.156 50 0 CEAARM Cc1cc(NC(=O)[C@H]2CCO[C@H](C)C2)ccc1C(=O)[O-] ZINC000262956522 131276396 /nfs/dbraw/zinc/27/63/96/131276396.db2.gz NMCJVEJPMRFMHM-MNOVXSKESA-N -1 0 277.320 2.447 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000263183582 131285645 /nfs/dbraw/zinc/28/56/45/131285645.db2.gz RULRJXCURLDERV-CHWPNHQFSA-N -1 0 277.295 2.305 50 0 CEAARM CC(C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])[nH]n1 ZINC000236883797 394488738 /nfs/dbraw/zinc/48/87/38/394488738.db2.gz FRABVRIFYWEZSQ-NSHDSACASA-N -1 0 293.367 2.393 50 0 CEAARM Cc1c(Br)cccc1C(=O)NC1(C(=O)[O-])CC1 ZINC000096424773 394688492 /nfs/dbraw/zinc/68/84/92/394688492.db2.gz ITSQFQJXEUQZBJ-UHFFFAOYSA-N -1 0 298.136 2.105 50 0 CEAARM Cn1[n-]c(-c2ccco2)c(-c2ccc3c(c2)OCO3)c1=N ZINC000103161187 400257383 /nfs/dbraw/zinc/25/73/83/400257383.db2.gz UVWOVMQWQVUSQA-UHFFFAOYSA-N -1 0 283.287 2.488 50 0 CEAARM CN(C(=O)C[C@@H]1C=CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263026404 154009233 /nfs/dbraw/zinc/00/92/33/154009233.db2.gz MMORLYPTWRLMNU-GFCCVEGCSA-N -1 0 289.331 2.469 50 0 CEAARM Cc1ccncc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263056673 154012376 /nfs/dbraw/zinc/01/23/76/154012376.db2.gz FZKMGKYNBWJCDE-LBPRGKRZSA-N -1 0 276.336 2.107 50 0 CEAARM Cc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@H]2CCCOC2)c1 ZINC000263325017 154057380 /nfs/dbraw/zinc/05/73/80/154057380.db2.gz OMVXZNDHWLEVGL-GFCCVEGCSA-N -1 0 291.347 2.192 50 0 CEAARM CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263333952 154061305 /nfs/dbraw/zinc/06/13/05/154061305.db2.gz QMHBJFYIUCTVEM-OLZOCXBDSA-N -1 0 291.347 2.228 50 0 CEAARM Cc1cc(C(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)n(C)n1 ZINC000263333939 154062316 /nfs/dbraw/zinc/06/23/16/154062316.db2.gz QLXQUBLJPDPKFF-SNVBAGLBSA-N -1 0 287.319 2.169 50 0 CEAARM O=C([O-])[C@H]1CCCN1c1nccc(OCc2ccccc2)n1 ZINC000263378929 154071857 /nfs/dbraw/zinc/07/18/57/154071857.db2.gz CAPQVXUWLULKPE-CYBMUJFWSA-N -1 0 299.330 2.109 50 0 CEAARM CC[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)C1 ZINC000263570570 154131055 /nfs/dbraw/zinc/13/10/55/154131055.db2.gz IIQDVAQBQBXTEK-SRVKXCTJSA-N -1 0 253.342 2.136 50 0 CEAARM C[C@H](CCc1ccccc1)NC(=O)CS[C@@H](C)C(=O)[O-] ZINC000006509480 298468298 /nfs/dbraw/zinc/46/82/98/298468298.db2.gz RLLVWSJVKMKRLM-NEPJUHHUSA-N -1 0 295.404 2.330 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC000165182740 162340102 /nfs/dbraw/zinc/34/01/02/162340102.db2.gz IKLIDWVPBJUGBD-LBPRGKRZSA-N -1 0 280.299 2.080 50 0 CEAARM CCOc1ccccc1C(=O)NCCCCCC(=O)[O-] ZINC000002271374 169784276 /nfs/dbraw/zinc/78/42/76/169784276.db2.gz CBZWIHRCBSXMOG-UHFFFAOYSA-N -1 0 279.336 2.460 50 0 CEAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003135743 169859882 /nfs/dbraw/zinc/85/98/82/169859882.db2.gz ZXZXUZONTVYBRL-BDAKNGLRSA-N -1 0 273.210 2.365 50 0 CEAARM C[C@H](CCc1ccccc1)NC(=O)CCCC(=O)[O-] ZINC000004784094 170016358 /nfs/dbraw/zinc/01/63/58/170016358.db2.gz CMDHISVQJGUTSQ-GFCCVEGCSA-N -1 0 263.337 2.379 50 0 CEAARM Cc1ccc(Cc2nnc(NC3CCCC3)[n-]c2=O)cc1 ZINC000005154497 170071317 /nfs/dbraw/zinc/07/13/17/170071317.db2.gz MQQVEJNZAMGIHA-UHFFFAOYSA-N -1 0 284.363 2.419 50 0 CEAARM CC(C)[C@H](NC(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC000005177349 170074087 /nfs/dbraw/zinc/07/40/87/170074087.db2.gz KDUQEWNGIIXGHM-NSHDSACASA-N -1 0 284.743 2.248 50 0 CEAARM O=C([O-])CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000005731161 170134442 /nfs/dbraw/zinc/13/44/42/170134442.db2.gz CNJTUQCKXPMLJE-UHFFFAOYSA-N -1 0 269.713 2.302 50 0 CEAARM CCCCCCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006042148 170170695 /nfs/dbraw/zinc/17/06/95/170170695.db2.gz XGOOGILWANDIKI-RYUDHWBXSA-N -1 0 253.342 2.350 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccco1 ZINC000006726351 170233129 /nfs/dbraw/zinc/23/31/29/170233129.db2.gz GFPXGNNCOYCBAW-XYJRBWASSA-N -1 0 277.320 2.033 50 0 CEAARM Cc1n[n-]c(Nc2ccc(F)c(Cl)c2)nc1=O ZINC000008768013 170354724 /nfs/dbraw/zinc/35/47/24/170354724.db2.gz VPAQXVXIGSDKMN-UHFFFAOYSA-N -1 0 254.652 2.009 50 0 CEAARM CCCSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000009183865 170365450 /nfs/dbraw/zinc/36/54/50/170365450.db2.gz PBRCSRFQDXLEQM-UHFFFAOYSA-N -1 0 261.350 2.258 50 0 CEAARM CCCc1cc(=O)n2nc(NC(=O)c3ccccc3)[n-]c2n1 ZINC000009202978 170366513 /nfs/dbraw/zinc/36/65/13/170366513.db2.gz GLEWHWWOAFRAMN-UHFFFAOYSA-N -1 0 297.318 2.035 50 0 CEAARM COc1cccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c1 ZINC000009361377 170373650 /nfs/dbraw/zinc/37/36/50/170373650.db2.gz AGOBIWMFKQLLQI-XFFZJAGNSA-N -1 0 291.332 2.340 50 0 CEAARM CCC(CC)(CC(=O)Nc1sccc1C(N)=O)C(=O)[O-] ZINC000010168438 170399560 /nfs/dbraw/zinc/39/95/60/170399560.db2.gz YYPLHIFKXPHIGK-UHFFFAOYSA-N -1 0 298.364 2.067 50 0 CEAARM CC(C)n1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)F ZINC000012397927 170485185 /nfs/dbraw/zinc/48/51/85/170485185.db2.gz ZDAMNLRILQDQLG-UHFFFAOYSA-N -1 0 299.277 2.191 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000019277707 170770143 /nfs/dbraw/zinc/77/01/43/170770143.db2.gz NDAYWWPZPIGMDX-JTQLQIEISA-N -1 0 287.237 2.395 50 0 CEAARM Cc1cccc(-n2nnc(C(=O)[O-])c2C2CC2)c1C ZINC000019813418 170879993 /nfs/dbraw/zinc/87/99/93/170879993.db2.gz JZZRMIWHXUWFJE-UHFFFAOYSA-N -1 0 257.293 2.460 50 0 CEAARM O=C([O-])CCCNC(=O)Cc1c(F)cccc1Cl ZINC000020200390 171064169 /nfs/dbraw/zinc/06/41/69/171064169.db2.gz LUFHUUDNMONBFK-UHFFFAOYSA-N -1 0 273.691 2.003 50 0 CEAARM COc1ccc(-c2nnc3ccc(C(=O)[O-])cn32)cc1 ZINC000020273881 171130774 /nfs/dbraw/zinc/13/07/74/171130774.db2.gz CGIAKDNWUZCZRP-UHFFFAOYSA-N -1 0 269.260 2.103 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1F ZINC000021968711 171343909 /nfs/dbraw/zinc/34/39/09/171343909.db2.gz FHQYCRYNJLJTGT-LBPRGKRZSA-N -1 0 265.284 2.213 50 0 CEAARM Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])o1 ZINC000022130538 171354652 /nfs/dbraw/zinc/35/46/52/171354652.db2.gz RIYNMBDNMKQVDW-UKTHLTGXSA-N -1 0 271.272 2.444 50 0 CEAARM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C)c1 ZINC000022160590 171363782 /nfs/dbraw/zinc/36/37/82/171363782.db2.gz NTLQGZZDYNCINW-UHFFFAOYSA-N -1 0 294.332 2.131 50 0 CEAARM CCCc1nc(CN2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000035297093 172110202 /nfs/dbraw/zinc/11/02/02/172110202.db2.gz KCNJTUUIFNQCMD-JTQLQIEISA-N -1 0 268.382 2.392 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000037518013 173248663 /nfs/dbraw/zinc/24/86/63/173248663.db2.gz UOZVNJNCGFRNKG-XROYCOCOSA-N -1 0 267.712 2.238 50 0 CEAARM Cc1ccccc1OCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561547 173271863 /nfs/dbraw/zinc/27/18/63/173271863.db2.gz JRXZLSXYILUTSY-UHFFFAOYSA-N -1 0 291.347 2.133 50 0 CEAARM O=C([O-])C1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000037561322 173271935 /nfs/dbraw/zinc/27/19/35/173271935.db2.gz CPXFFXINURTDSO-UHFFFAOYSA-N -1 0 283.274 2.338 50 0 CEAARM Cc1cc(OCC(=O)[O-])nc(-c2ccc(F)cc2)n1 ZINC000040478748 174283411 /nfs/dbraw/zinc/28/34/11/174283411.db2.gz UQMCYWDOQBGRRM-UHFFFAOYSA-N -1 0 262.240 2.055 50 0 CEAARM O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccccc1 ZINC000040555791 174331040 /nfs/dbraw/zinc/33/10/40/174331040.db2.gz XMHIJYOURGQFKT-UHFFFAOYSA-N -1 0 273.317 2.364 50 0 CEAARM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1(C)C ZINC000122689344 414792795 /nfs/dbraw/zinc/79/27/95/414792795.db2.gz QYTAQTVXZQJHSV-MFKMUULPSA-N -1 0 291.351 2.145 50 0 CEAARM CCc1cc(C)nc(Nc2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000662894921 414794897 /nfs/dbraw/zinc/79/48/97/414794897.db2.gz IGKIULNRZPHJOO-UHFFFAOYSA-N -1 0 289.339 2.107 50 0 CEAARM Cc1cc(Br)ccc1C(=O)NC1(C(=O)[O-])CC1 ZINC000203653357 414841150 /nfs/dbraw/zinc/84/11/50/414841150.db2.gz BKXAXRNNQKYYGB-UHFFFAOYSA-N -1 0 298.136 2.105 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000653329168 414987324 /nfs/dbraw/zinc/98/73/24/414987324.db2.gz RWTFHPZBMQWLMT-ZIAGYGMSSA-N -1 0 271.316 2.382 50 0 CEAARM O=C([O-])c1ccccc1OCCN1CCO[C@H]2CCC[C@@H]21 ZINC000043425984 175040806 /nfs/dbraw/zinc/04/08/06/175040806.db2.gz 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/nfs/dbraw/zinc/11/07/28/176110728.db2.gz LVVXJNPHRGBYQE-JGVFFNPUSA-N -1 0 295.364 2.101 50 0 CEAARM COCCOc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000071598352 176221994 /nfs/dbraw/zinc/22/19/94/176221994.db2.gz RSIZPXMZIZMULN-UHFFFAOYSA-N -1 0 266.293 2.149 50 0 CEAARM O=C([O-])C1CC2(C1)CN(C(=O)OCc1ccccc1)C2 ZINC000072194318 176337250 /nfs/dbraw/zinc/33/72/50/176337250.db2.gz TXYJSXKXMYOUBY-UHFFFAOYSA-N -1 0 275.304 2.120 50 0 CEAARM O=C([O-])c1cnc(NC[C@H]2CCCO2)nc1-c1ccccc1 ZINC000075166009 176670808 /nfs/dbraw/zinc/67/08/08/176670808.db2.gz DWRUDJZRPLMRBO-GFCCVEGCSA-N -1 0 299.330 2.433 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000237278967 260676291 /nfs/dbraw/zinc/67/62/91/260676291.db2.gz YKHIXPDLNAEJBT-JQWIXIFHSA-N -1 0 297.301 2.392 50 0 CEAARM CC(=O)N1[C@@H](c2ccc(C)cc2)SC[C@@H]1C(=O)[O-] ZINC000000098958 278074983 /nfs/dbraw/zinc/07/49/83/278074983.db2.gz JIFJBRTVYQXRPG-VXGBXAGGSA-N -1 0 265.334 2.042 50 0 CEAARM CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000002390026 278190056 /nfs/dbraw/zinc/19/00/56/278190056.db2.gz JUWQEPVNDAKOQG-UHFFFAOYSA-N -1 0 258.071 2.106 50 0 CEAARM CC(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC000013379589 278222829 /nfs/dbraw/zinc/22/28/29/278222829.db2.gz RGQHBWNTRVUICJ-UHFFFAOYSA-N -1 0 259.055 2.073 50 0 CEAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000000135711 280312356 /nfs/dbraw/zinc/31/23/56/280312356.db2.gz CANZBRDGRHNSGZ-NSHDSACASA-N -1 0 251.282 2.022 50 0 CEAARM CC(C)c1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020614966 280609523 /nfs/dbraw/zinc/60/95/23/280609523.db2.gz BZGWFOGYVVDTHI-UHFFFAOYSA-N -1 0 287.319 2.494 50 0 CEAARM CC1=C[C@@H](C)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000100549371 281690303 /nfs/dbraw/zinc/69/03/03/281690303.db2.gz IUFYUZYEQQSJDA-DDTOSNHZSA-N -1 0 299.326 2.477 50 0 CEAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])CCCC2=O ZINC000000401225 295041393 /nfs/dbraw/zinc/04/13/93/295041393.db2.gz FMLQWOGAUHAOMM-MRVPVSSYSA-N -1 0 264.277 2.239 50 0 CEAARM COc1ccc(Br)c(C(=O)[O-])c1OC 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ZINC000004691374 301480115 /nfs/dbraw/zinc/48/01/15/301480115.db2.gz FRSKITNPPDAUKH-UXBLZVDNSA-N -1 0 277.301 2.116 50 0 CEAARM Cc1cccc2cc(C(=O)N3CC=C[C@@H]3C(=O)[O-])c(C)nc12 ZINC000426575081 302069140 /nfs/dbraw/zinc/06/91/40/302069140.db2.gz VQLAKHJXWKXBRY-CQSZACIVSA-N -1 0 296.326 2.317 50 0 CEAARM C[C@@H](CN(C(=O)Cc1cc(F)ccc1F)C1CC1)C(=O)[O-] ZINC000195552017 321820638 /nfs/dbraw/zinc/82/06/38/321820638.db2.gz HHSCNVPFDVKLQK-VIFPVBQESA-N -1 0 297.301 2.219 50 0 CEAARM COCCOc1ccc(-c2cnn([C@@H](C)C(=O)[O-])c2)cc1 ZINC000534587157 328315857 /nfs/dbraw/zinc/31/58/57/328315857.db2.gz LLSVHCBLRXANKO-NSHDSACASA-N -1 0 290.319 2.221 50 0 CEAARM CCOC(=O)/C(=C\c1c(C)cc(OC)cc1C)C(=O)[O-] ZINC000005716407 326816874 /nfs/dbraw/zinc/81/68/74/326816874.db2.gz HMSKVOIXBQNFHJ-JYRVWZFOSA-N -1 0 278.304 2.343 50 0 CEAARM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000055391303 526256047 /nfs/dbraw/zinc/25/60/47/526256047.db2.gz FLHWPXCUWSCLNZ-GWCFXTLKSA-N -1 0 276.336 2.431 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000097018041 527931437 /nfs/dbraw/zinc/93/14/37/527931437.db2.gz HLISLSHSWKNRBJ-CHWSQXEVSA-N -1 0 261.321 2.032 50 0 CEAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)C1Cc2ccccc2C1 ZINC000426494405 528281874 /nfs/dbraw/zinc/28/18/74/528281874.db2.gz UNDSKHJZVWZISJ-HNNXBMFYSA-N -1 0 289.375 2.407 50 0 CEAARM CCCc1nc(C[S@](=O)[C@H](C(=O)[O-])C(C)C)cs1 ZINC000408520190 528754968 /nfs/dbraw/zinc/75/49/68/528754968.db2.gz SEIKUEFWUSMCMG-VOJFVSQTSA-N -1 0 289.422 2.454 50 0 CEAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1sc(C)nc1C ZINC000096480225 529355067 /nfs/dbraw/zinc/35/50/67/529355067.db2.gz ATPYLAIRJDPJRH-GFCCVEGCSA-N -1 0 270.354 2.133 50 0 CEAARM COCC1(C(=O)Nc2cccc(C(=O)[O-])c2)CCC1 ZINC000263202794 536815266 /nfs/dbraw/zinc/81/52/66/536815266.db2.gz VJAUKNHWSOSGCO-UHFFFAOYSA-N -1 0 263.293 2.140 50 0 CEAARM CC(C)c1noc(=N[C@@H]2CCc3ccccc3OC2)[n-]1 ZINC000337821457 804741551 /nfs/dbraw/zinc/74/15/51/804741551.db2.gz QYBDYLUNMBDMBG-GFCCVEGCSA-N -1 0 273.336 2.421 50 0 CEAARM C/C(=C/C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])C1CC1 ZINC000195551193 804842526 /nfs/dbraw/zinc/84/25/26/804842526.db2.gz ZTGSUAARKIWZEO-HMVFGEFZSA-N -1 0 287.359 2.402 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC000095961801 185044980 /nfs/dbraw/zinc/04/49/80/185044980.db2.gz SJELGZQUHAMFSO-YPMHNXCESA-N -1 0 279.311 2.128 50 0 CEAARM Cn1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000095965572 185045454 /nfs/dbraw/zinc/04/54/54/185045454.db2.gz KGNPNHKTFZLPPE-UHFFFAOYSA-N -1 0 287.319 2.035 50 0 CEAARM O=C([O-])c1ccn(-c2ccccc2NC(=O)C2CC=CC2)n1 ZINC000095970059 185048336 /nfs/dbraw/zinc/04/83/36/185048336.db2.gz OFBITJGCTVURPY-UHFFFAOYSA-N -1 0 297.314 2.475 50 0 CEAARM CCc1cc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)n[nH]1 ZINC000095970806 185048528 /nfs/dbraw/zinc/04/85/28/185048528.db2.gz XQKMBSSOLFKQBA-UHFFFAOYSA-N -1 0 273.292 2.231 50 0 CEAARM CCOc1ccc2cc(C(=O)NC[C@@H](C)C(=O)[O-])[nH]c2c1 ZINC000095970621 185049023 /nfs/dbraw/zinc/04/90/23/185049023.db2.gz UKXCOYSQZTVQPI-SECBINFHSA-N -1 0 290.319 2.017 50 0 CEAARM Cc1ccc2cccc(S(=O)(=O)[N-]c3cn[nH]c3)c2n1 ZINC000095976737 185050579 /nfs/dbraw/zinc/05/05/79/185050579.db2.gz UWVUGEINSHGBDT-UHFFFAOYSA-N -1 0 288.332 2.067 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC000095991997 185058829 /nfs/dbraw/zinc/05/88/29/185058829.db2.gz KWYGXNMFSSWYBD-CMPLNLGQSA-N -1 0 297.301 2.267 50 0 CEAARM CC(C)[C@@H](C(=O)[O-])n1sc2ccccc2c1=O ZINC000032500435 361740111 /nfs/dbraw/zinc/74/01/11/361740111.db2.gz WWXBUKVYEVDASM-JTQLQIEISA-N -1 0 251.307 2.345 50 0 CEAARM COc1ccc(-c2cc(CCCC(=O)[O-])[nH]n2)cc1 ZINC000032920074 361766823 /nfs/dbraw/zinc/76/68/23/361766823.db2.gz RLRMHPGETMICOY-UHFFFAOYSA-N -1 0 260.293 2.493 50 0 CEAARM Cc1nc(C)c(C(=O)N2CCC([C@@H](C)C(=O)[O-])CC2)s1 ZINC000034927250 361797763 /nfs/dbraw/zinc/79/77/63/361797763.db2.gz JTABEIOXUSULHN-MRVPVSSYSA-N -1 0 296.392 2.333 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccnc1Cl ZINC000096663650 185109225 /nfs/dbraw/zinc/10/92/25/185109225.db2.gz YCYMKQRCGATIOG-MRVPVSSYSA-N -1 0 286.715 2.385 50 0 CEAARM O=C([O-])CN(C(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000037584546 361905994 /nfs/dbraw/zinc/90/59/94/361905994.db2.gz NIPGLIVQQIUBFV-LBPRGKRZSA-N -1 0 259.305 2.461 50 0 CEAARM CN(CC(F)(F)F)C(=O)c1ccccc1C(=O)[O-] ZINC000037664082 361919745 /nfs/dbraw/zinc/91/97/45/361919745.db2.gz LTFLWDSXLYFSIW-UHFFFAOYSA-N -1 0 261.199 2.019 50 0 CEAARM CC(C)=CC(=O)NC[C@H](Cc1ccccc1C)C(=O)[O-] ZINC000097018798 185152943 /nfs/dbraw/zinc/15/29/43/185152943.db2.gz SWBNFOWIMAIIBX-AWEZNQCLSA-N -1 0 275.348 2.321 50 0 CEAARM Cc1ccc(CCC(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000097018581 185152995 /nfs/dbraw/zinc/15/29/95/185152995.db2.gz BURCPXDBMXFBSX-UHFFFAOYSA-N -1 0 279.336 2.280 50 0 CEAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000097032933 185155511 /nfs/dbraw/zinc/15/55/11/185155511.db2.gz WJQAIUJLTHTYSB-GFCCVEGCSA-N -1 0 265.353 2.302 50 0 CEAARM C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000097036768 185166202 /nfs/dbraw/zinc/16/62/02/185166202.db2.gz IMSBZSHXQIWDLM-DJIHRAIXSA-N -1 0 261.321 2.016 50 0 CEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCSC1 ZINC000070435935 539174031 /nfs/dbraw/zinc/17/40/31/539174031.db2.gz GICUSIREHHGPIZ-GFCCVEGCSA-N -1 0 279.361 2.096 50 0 CEAARM COc1ccccc1[S@](=O)Cc1occc1C(=O)[O-] ZINC000041031147 362014865 /nfs/dbraw/zinc/01/48/65/362014865.db2.gz RYVYGSDQIMNKIZ-IBGZPJMESA-N -1 0 280.301 2.294 50 0 CEAARM COc1ncc(C(F)(F)F)c(C(=O)[O-])c1Cl ZINC000043827486 362151036 /nfs/dbraw/zinc/15/10/36/362151036.db2.gz OSUAAIABKQEPMD-UHFFFAOYSA-N -1 0 255.579 2.461 50 0 CEAARM COC(=O)C[C@@H]1Sc2ccccc2[N-]C1=S ZINC000005209636 343353941 /nfs/dbraw/zinc/35/39/41/343353941.db2.gz YPPGNEQKYMOJEQ-VIFPVBQESA-N -1 0 253.348 2.463 50 0 CEAARM O=C([O-])c1nc(NCc2ccco2)ncc1Br ZINC000685944138 539306994 /nfs/dbraw/zinc/30/69/94/539306994.db2.gz QFDCTSCBVSOBFL-UHFFFAOYSA-N -1 0 298.096 2.142 50 0 CEAARM O=C([O-])c1cccc2c1S(=O)(=O)c1ccccc1-2 ZINC000048547268 343531466 /nfs/dbraw/zinc/53/14/66/343531466.db2.gz FAIIFZXZHQMKMB-UHFFFAOYSA-N -1 0 260.270 2.198 50 0 CEAARM CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCC2)n1 ZINC000084382299 344084282 /nfs/dbraw/zinc/08/42/82/344084282.db2.gz OLQBLSLSDMTLTR-UHFFFAOYSA-N -1 0 285.347 2.376 50 0 CEAARM CCc1ccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101802627 344249505 /nfs/dbraw/zinc/24/95/05/344249505.db2.gz MWPMMDUMOXZYCN-UHFFFAOYSA-N -1 0 297.362 2.209 50 0 CEAARM CC(C)C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000104004052 344253737 /nfs/dbraw/zinc/25/37/37/344253737.db2.gz JIRRMIMDDZDMAX-NSHDSACASA-N -1 0 273.361 2.401 50 0 CEAARM O=C([O-])c1c(=O)[nH]c2ccccc2c1NCc1cccnc1 ZINC000198838207 344526549 /nfs/dbraw/zinc/52/65/49/344526549.db2.gz GGJUJCVELBCXDR-UHFFFAOYSA-N -1 0 295.298 2.233 50 0 CEAARM Cc1ccoc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921238 362423678 /nfs/dbraw/zinc/42/36/78/362423678.db2.gz TUSNPTBHCZEAET-NSHDSACASA-N -1 0 265.309 2.448 50 0 CEAARM Cc1occc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921221 362423929 /nfs/dbraw/zinc/42/39/29/362423929.db2.gz QDXGPJUDBQNASZ-LLVKDONJSA-N -1 0 265.309 2.448 50 0 CEAARM O=c1c2ccccc2nc(N=NCc2ccc(F)cc2)n1[O-] ZINC000390825674 344838246 /nfs/dbraw/zinc/83/82/46/344838246.db2.gz ZBTMZWGLTKPXGP-UHFFFAOYSA-N -1 0 298.277 2.219 50 0 CEAARM CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)[O-])C2 ZINC000584883048 344996865 /nfs/dbraw/zinc/99/68/65/344996865.db2.gz ANTZTQSLMJZUFM-UHFFFAOYSA-N -1 0 255.314 2.251 50 0 CEAARM C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000054309349 362526568 /nfs/dbraw/zinc/52/65/68/362526568.db2.gz FYHBVOZUQIIFOZ-ZCFIWIBFSA-N -1 0 276.119 2.444 50 0 CEAARM CCn1cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000669435186 539447403 /nfs/dbraw/zinc/44/74/03/539447403.db2.gz XNIPWNOQHXOCAO-ZDUSSCGKSA-N -1 0 299.330 2.122 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1cccs1 ZINC000097228707 185568114 /nfs/dbraw/zinc/56/81/14/185568114.db2.gz UXQLEUDQRCQSDY-LBPRGKRZSA-N -1 0 255.339 2.050 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000084592742 539514621 /nfs/dbraw/zinc/51/46/21/539514621.db2.gz CHOZJDBEIJIFMS-WDEREUQCSA-N -1 0 253.342 2.326 50 0 CEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000085388477 179047375 /nfs/dbraw/zinc/04/73/75/179047375.db2.gz OFMDJRWWFHLIJS-WDEREUQCSA-N -1 0 290.319 2.084 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000062460138 362719226 /nfs/dbraw/zinc/71/92/26/362719226.db2.gz JXAYFFMUPZPPOP-CYBMUJFWSA-N -1 0 297.301 2.363 50 0 CEAARM Cc1cccc(O[C@@H](C)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062913299 362734097 /nfs/dbraw/zinc/73/40/97/362734097.db2.gz OBDKJIGJYSAVTC-BLLLJJGKSA-N -1 0 291.347 2.086 50 0 CEAARM Cc1cn(C)c(CC(=O)Nc2cccc(F)c2)c1C(=O)[O-] ZINC000064980618 362799785 /nfs/dbraw/zinc/79/97/85/362799785.db2.gz BOTRVWNDOHWUEO-UHFFFAOYSA-N -1 0 290.294 2.352 50 0 CEAARM C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000128520388 187375263 /nfs/dbraw/zinc/37/52/63/187375263.db2.gz LOLPBVBRXUDCLE-CHWSQXEVSA-N -1 0 297.395 2.438 50 0 CEAARM C[C@H](Oc1ccccc1-c1ccc(C(=O)[O-])s1)C(N)=O ZINC000067650485 362914510 /nfs/dbraw/zinc/91/45/10/362914510.db2.gz JRGIRCUUTNBLJD-QMMMGPOBSA-N -1 0 291.328 2.366 50 0 CEAARM CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)[O-] ZINC000068576368 362944456 /nfs/dbraw/zinc/94/44/56/362944456.db2.gz QYRVZFXAMIYZCG-ZJUUUORDSA-N -1 0 267.281 2.335 50 0 CEAARM O=C([O-])Cn1cnc(-c2ccccc2)c1[C@H]1CCOC1 ZINC000092022409 180307370 /nfs/dbraw/zinc/30/73/70/180307370.db2.gz DPYZBZRKWKUFHF-LBPRGKRZSA-N -1 0 272.304 2.139 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2cc(F)ccc2F)C1 ZINC000108657462 186226839 /nfs/dbraw/zinc/22/68/39/186226839.db2.gz CKHNVPBKATXSTH-NXEZZACHSA-N -1 0 297.301 2.472 50 0 CEAARM O=C([O-])CCCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000070197781 363052789 /nfs/dbraw/zinc/05/27/89/363052789.db2.gz HIWIJUAORTVEJU-LBPRGKRZSA-N -1 0 297.738 2.015 50 0 CEAARM COC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000122417221 187031425 /nfs/dbraw/zinc/03/14/25/187031425.db2.gz QYYPCXQFLUSHBF-NSHDSACASA-N -1 0 292.360 2.271 50 0 CEAARM O=C(c1c([O-])cccc1F)N1CCC[C@H](n2cccn2)C1 ZINC000122544747 187037747 /nfs/dbraw/zinc/03/77/47/187037747.db2.gz RGUVRJHNMRWITQ-NSHDSACASA-N -1 0 289.310 2.205 50 0 CEAARM O=C([O-])/C=C/c1cc(Br)c2c(c1)OCCO2 ZINC000036897352 304023414 /nfs/dbraw/zinc/02/34/14/304023414.db2.gz HVJWZSYFHWNTIW-OWOJBTEDSA-N -1 0 285.093 2.318 50 0 CEAARM O=C([O-])C1(C(=O)N2CCC3(CCCCC3)CC2)CC1 ZINC000061823999 304027152 /nfs/dbraw/zinc/02/71/52/304027152.db2.gz DKJNIHHHCPUBLS-UHFFFAOYSA-N -1 0 265.353 2.424 50 0 CEAARM CCCc1nc(C)c(C(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000158492345 188379192 /nfs/dbraw/zinc/37/91/92/188379192.db2.gz KXLVUAZMTMVHSH-JTQLQIEISA-N -1 0 296.392 2.483 50 0 CEAARM Cc1ccoc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000131978932 366107043 /nfs/dbraw/zinc/10/70/43/366107043.db2.gz UACMLRKBKDNZCW-NSHDSACASA-N -1 0 271.272 2.417 50 0 CEAARM O=C([O-])CCCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000004985879 304051735 /nfs/dbraw/zinc/05/17/35/304051735.db2.gz DBVMDCKCSPZLMY-UHFFFAOYSA-N -1 0 292.360 2.202 50 0 CEAARM Cc1ccsc1S(=O)(=O)[N-]c1c2c(nn1C)CCC2 ZINC000328917066 202111617 /nfs/dbraw/zinc/11/16/17/202111617.db2.gz RNOCQTHOOVWUCI-UHFFFAOYSA-N -1 0 297.405 2.080 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000050921785 304058769 /nfs/dbraw/zinc/05/87/69/304058769.db2.gz WMQVSPREUBTDHY-QWHCGFSZSA-N -1 0 283.368 2.192 50 0 CEAARM Cc1cc2ncc(C(=O)[O-])c(O)c2cc1Br ZINC000079016485 363565812 /nfs/dbraw/zinc/56/58/12/363565812.db2.gz JQPRDYDFAKDDER-UHFFFAOYSA-N -1 0 282.093 2.297 50 0 CEAARM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1cccc(N)c1 ZINC000144078486 538873430 /nfs/dbraw/zinc/87/34/30/538873430.db2.gz WEPKRDYCQFGGRW-AWEZNQCLSA-N -1 0 280.324 2.093 50 0 CEAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1Cl ZINC000135208248 366408826 /nfs/dbraw/zinc/40/88/26/366408826.db2.gz FUZYDAQIAISXRQ-JTQLQIEISA-N -1 0 267.712 2.195 50 0 CEAARM O=C([O-])Cc1ccc2c(c1)C(=O)c1ccccc1OC2 ZINC000021993079 304089659 /nfs/dbraw/zinc/08/96/59/304089659.db2.gz OWOZLTVSQSXUTQ-UHFFFAOYSA-N -1 0 268.268 2.437 50 0 CEAARM O=C([O-])Cn1nc(C(F)(F)F)c2c1CCCCC2 ZINC000004294572 304091387 /nfs/dbraw/zinc/09/13/87/304091387.db2.gz DFMVUFNGENZIPQ-UHFFFAOYSA-N -1 0 262.231 2.255 50 0 CEAARM CO[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000177953497 189081838 /nfs/dbraw/zinc/08/18/38/189081838.db2.gz PIRIPWZFCDLIRG-VIIAAUOXSA-N -1 0 289.331 2.035 50 0 CEAARM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000037425152 304096888 /nfs/dbraw/zinc/09/68/88/304096888.db2.gz NHNIMDNNPOIASO-LLVKDONJSA-N -1 0 290.146 2.451 50 0 CEAARM CC(=O)N/C(=C/c1ccc(Br)cc1)C(=O)[O-] ZINC000000128306 361132527 /nfs/dbraw/zinc/13/25/27/361132527.db2.gz PTEZWGHXLACFOP-UXBLZVDNSA-N -1 0 284.109 2.011 50 0 CEAARM O=S(=O)(C=C([O-])c1ccccc1)c1ccccc1 ZINC000000164284 361138238 /nfs/dbraw/zinc/13/82/38/361138238.db2.gz DREVPGKOIZVPQV-UHFFFAOYSA-N -1 0 260.314 2.343 50 0 CEAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(Br)cc2)N1 ZINC000000170023 361138299 /nfs/dbraw/zinc/13/82/99/361138299.db2.gz TYLJHTCYCWHWRG-BDAKNGLRSA-N -1 0 288.166 2.237 50 0 CEAARM CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000318898 361161545 /nfs/dbraw/zinc/16/15/45/361161545.db2.gz RGZBDLJFTKGSBI-UHFFFAOYSA-N -1 0 290.344 2.446 50 0 CEAARM CC(C)Oc1ccccc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000000234125 361148936 /nfs/dbraw/zinc/14/89/36/361148936.db2.gz ASZHYBVNHOCPCG-LBPRGKRZSA-N -1 0 277.320 2.163 50 0 CEAARM CC(C)CCOc1ccccc1C(=O)NCCC(=O)[O-] ZINC000000433242 361173765 /nfs/dbraw/zinc/17/37/65/361173765.db2.gz NFGMRSKWRARDMF-UHFFFAOYSA-N -1 0 279.336 2.316 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)cn1 ZINC000001430386 361205460 /nfs/dbraw/zinc/20/54/60/361205460.db2.gz NNGOFOHUTILLKO-UHFFFAOYSA-N -1 0 283.328 2.151 50 0 CEAARM Cc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC000000543006 361185990 /nfs/dbraw/zinc/18/59/90/361185990.db2.gz SRCSPQIZCZUENE-ZETCQYMHSA-N -1 0 256.689 2.243 50 0 CEAARM O=C1[N-]C(=O)[C@@H](Nc2ccc(Br)cc2)S1 ZINC000000969689 361194638 /nfs/dbraw/zinc/19/46/38/361194638.db2.gz VOERHJCIEAUQPY-QMMMGPOBSA-N -1 0 287.138 2.170 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCCc1ccccc1 ZINC000002754037 361247985 /nfs/dbraw/zinc/24/79/85/361247985.db2.gz FLPWPJHCBYPVKL-HUUCEWRRSA-N -1 0 287.359 2.402 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)[O-] ZINC000001576310 361208753 /nfs/dbraw/zinc/20/87/53/361208753.db2.gz DMBKPDOAQVGTST-GFCCVEGCSA-N -1 0 295.335 2.181 50 0 CEAARM COc1ccc(C)cc1NC(=O)N=C([O-])C(F)(F)F ZINC000002141537 361229157 /nfs/dbraw/zinc/22/91/57/361229157.db2.gz PUGMOGNULVCKTO-UHFFFAOYSA-N -1 0 276.214 2.214 50 0 CEAARM CC(C)CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002418326 361234626 /nfs/dbraw/zinc/23/46/26/361234626.db2.gz UIUDUSVLUFDYRX-ZDUSSCGKSA-N -1 0 278.352 2.028 50 0 CEAARM O=C1[N-]C(=O)C2(COC(c3ccccc3Cl)OC2)S1 ZINC000002475566 361235271 /nfs/dbraw/zinc/23/52/71/361235271.db2.gz HUGBQWPDXLPYNP-UHFFFAOYSA-N -1 0 299.735 2.107 50 0 CEAARM O=C([O-])C=C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002527211 361238143 /nfs/dbraw/zinc/23/81/43/361238143.db2.gz NGSLTFIGWWOKHK-UHFFFAOYSA-N -1 0 275.304 2.430 50 0 CEAARM Nc1c(Br)cc(C(=O)[O-])cc1Br ZINC000002545431 361239852 /nfs/dbraw/zinc/23/98/52/361239852.db2.gz VWYQFZKTKAMCLU-UHFFFAOYSA-N -1 0 294.930 2.492 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(F)c1)C(=O)[O-] ZINC000002583004 361242195 /nfs/dbraw/zinc/24/21/95/361242195.db2.gz PIDYYTCMUSVKTJ-SNVBAGLBSA-N -1 0 299.298 2.052 50 0 CEAARM CC1(C)[C@]2(CC[C@@H]2C(=O)NCc2ccco2)[C@@]1(C)C(=O)[O-] ZINC000004012734 361296109 /nfs/dbraw/zinc/29/61/09/361296109.db2.gz YKDHCCFJXBEINY-XFBWCDHKSA-N -1 0 291.347 2.423 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000004104994 361300678 /nfs/dbraw/zinc/30/06/78/361300678.db2.gz SATTXAWNONVPLP-NKWVEPMBSA-N -1 0 257.648 2.138 50 0 CEAARM CCC(=O)Nc1ccc(C(=O)[O-])cc1NC(=O)CC ZINC000004492360 361318654 /nfs/dbraw/zinc/31/86/54/361318654.db2.gz YDDRGBGYLVKPMI-UHFFFAOYSA-N -1 0 264.281 2.082 50 0 CEAARM O=C([O-])c1cc(Cl)nc(OCC(F)(F)F)c1 ZINC000004335871 361311730 /nfs/dbraw/zinc/31/17/30/361311730.db2.gz FVHKOLLQKHIDJS-UHFFFAOYSA-N -1 0 255.579 2.374 50 0 CEAARM COc1ccc(C(=O)[O-])cc1NCc1ccncc1 ZINC000004413490 361315856 /nfs/dbraw/zinc/31/58/56/361315856.db2.gz VOGBNCKCGRAYRM-UHFFFAOYSA-N -1 0 258.277 2.401 50 0 CEAARM Cc1cc(C(=O)N(C)C2CCC2)cc(C)c1OCC(=O)[O-] ZINC000237031363 370680328 /nfs/dbraw/zinc/68/03/28/370680328.db2.gz MUGUHZMMDAQOST-UHFFFAOYSA-N -1 0 291.347 2.391 50 0 CEAARM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237049934 370684918 /nfs/dbraw/zinc/68/49/18/370684918.db2.gz QQVRKTDYSGOUMC-IUODEOHRSA-N -1 0 283.368 2.047 50 0 CEAARM Cc1nn2c(ncc(C(=O)[O-])c2C(F)(F)F)c1Cl ZINC000005678003 361334032 /nfs/dbraw/zinc/33/40/32/361334032.db2.gz YLJBPGQARVBTKQ-UHFFFAOYSA-N -1 0 279.605 2.408 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000082271232 363756425 /nfs/dbraw/zinc/75/64/25/363756425.db2.gz WMDAVRBLCPLCCG-UHFFFAOYSA-N -1 0 272.304 2.105 50 0 CEAARM O=C([O-])[C@@H](O)Cc1ccc(OCc2ccccc2)cc1 ZINC000012648454 361394798 /nfs/dbraw/zinc/39/47/98/361394798.db2.gz RADJEIZOJZINJB-HNNXBMFYSA-N -1 0 272.300 2.254 50 0 CEAARM Cc1cccc(OCCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013170653 361422314 /nfs/dbraw/zinc/42/23/14/361422314.db2.gz QISDKZXFTOJZID-ZDUSSCGKSA-N -1 0 291.347 2.087 50 0 CEAARM Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170799 361422401 /nfs/dbraw/zinc/42/24/01/361422401.db2.gz WMNQLTCDXJHFIA-QWHCGFSZSA-N -1 0 291.347 2.086 50 0 CEAARM CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013340381 361426321 /nfs/dbraw/zinc/42/63/21/361426321.db2.gz OAIIGYWJPJDWMF-UHFFFAOYSA-N -1 0 291.756 2.115 50 0 CEAARM CC(C)(O)CCC[C@](C)(O)c1ccc(C(=O)[O-])cc1O ZINC000013482269 361429016 /nfs/dbraw/zinc/42/90/16/361429016.db2.gz YCUWMGPYKGLQQF-HNNXBMFYSA-N -1 0 282.336 2.239 50 0 biogenic,in-vitro CEAARM O=C([O-])c1coc(C(=O)NCCc2cc3ccccc3[nH]2)c1 ZINC000183811122 189368315 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/nfs/dbraw/zinc/01/09/50/364010950.db2.gz DYVUWZURUSLJAE-ZDUSSCGKSA-N -1 0 273.332 2.230 50 0 CEAARM CCC[C@@H](NC(=O)[C@@H](C)Cc1ccccc1)c1nnn[n-]1 ZINC000089949525 364021300 /nfs/dbraw/zinc/02/13/00/364021300.db2.gz UVFSNJJMMPTPTE-WCQYABFASA-N -1 0 287.367 2.036 50 0 CEAARM C[C@H](CN(C)C(=O)C1(c2ccccc2F)CC1)C(=O)[O-] ZINC000237542119 370731322 /nfs/dbraw/zinc/73/13/22/370731322.db2.gz BMMXXMRNPRMFLI-SNVBAGLBSA-N -1 0 279.311 2.036 50 0 CEAARM COc1cc(CNC(=O)C2CCCC2)ccc1C(=O)[O-] ZINC000237335708 370711815 /nfs/dbraw/zinc/71/18/15/370711815.db2.gz FOJODULKLZUSMM-UHFFFAOYSA-N -1 0 277.320 2.200 50 0 CEAARM C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(C(=O)[O-])cc2)O1 ZINC000237378948 370716414 /nfs/dbraw/zinc/71/64/14/370716414.db2.gz JDIYDZSLIMEEIC-RISCZKNCSA-N -1 0 291.347 2.349 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237408167 370719120 /nfs/dbraw/zinc/71/91/20/370719120.db2.gz KCIHFTQECVFOHX-JOYOIKCWSA-N -1 0 265.284 2.005 50 0 CEAARM C[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccs1 ZINC000237458044 370722419 /nfs/dbraw/zinc/72/24/19/370722419.db2.gz PDDGCUPVCJHUAN-NOZJJQNGSA-N -1 0 267.350 2.175 50 0 CEAARM CC(C)(C)OC(=O)N1CCCCC[C@@H](C(=O)[O-])C1 ZINC000238157523 370772959 /nfs/dbraw/zinc/77/29/59/370772959.db2.gz CFTWHOCHRHKALN-SNVBAGLBSA-N -1 0 257.330 2.498 50 0 CEAARM O=C([O-])CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000095424240 364371395 /nfs/dbraw/zinc/37/13/95/364371395.db2.gz ZBMILYLGPSEJPL-GFCCVEGCSA-N -1 0 261.321 2.088 50 0 CEAARM O=C([O-])Cc1ncc(C(F)(F)F)cc1Br ZINC000095884123 364392756 /nfs/dbraw/zinc/39/27/56/364392756.db2.gz NMWRCUAFYHJEAN-UHFFFAOYSA-N -1 0 284.031 2.490 50 0 CEAARM CCc1ncc(CN(CC(=O)[O-])C(=O)c2ccoc2)s1 ZINC000097050079 364433448 /nfs/dbraw/zinc/43/34/48/364433448.db2.gz DBXJXKUAKPSNGT-UHFFFAOYSA-N -1 0 294.332 2.026 50 0 CEAARM C[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccsc1 ZINC000097050043 364434128 /nfs/dbraw/zinc/43/41/28/364434128.db2.gz ODAPTDKJFWLHEH-MWLCHTKSSA-N -1 0 267.350 2.317 50 0 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297.362 2.291 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccsc2)C1 ZINC000104274008 364689820 /nfs/dbraw/zinc/68/98/20/364689820.db2.gz CSRTXFMVRYXPAR-GHMZBOCLSA-N -1 0 267.350 2.255 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-n2cccc2)c1 ZINC000262909705 304118780 /nfs/dbraw/zinc/11/87/80/304118780.db2.gz NAILDSMWWCUWPY-CABCVRRESA-N -1 0 298.342 2.460 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000108655226 304119459 /nfs/dbraw/zinc/11/94/59/304119459.db2.gz ZYSHSHLHNPKOMK-UONOGXRCSA-N -1 0 287.359 2.462 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)C1(c2ccccc2F)CC1 ZINC000195562239 189680283 /nfs/dbraw/zinc/68/02/83/189680283.db2.gz KYCFFPWRHHUSON-UHFFFAOYSA-N -1 0 279.311 2.181 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000269203436 304122002 /nfs/dbraw/zinc/12/20/02/304122002.db2.gz SGPJOOBJHKHFAK-KXUCPTDWSA-N -1 0 295.285 2.001 50 0 CEAARM O=C([O-])c1c(=O)[nH]c2ccccc2c1NCc1ccccn1 ZINC000170624651 367388333 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C[C@@H](Oc1cccc(/C=C\c2ccncn2)c1)C(=O)[O-] ZINC000346917195 218057706 /nfs/dbraw/zinc/05/77/06/218057706.db2.gz KCCGAEWKRGCJFC-ISALQUGTSA-N -1 0 270.288 2.499 50 0 CEAARM Cc1c(C(=O)[O-])cnn1-c1nccc(-c2ccccc2F)n1 ZINC000299771346 379132814 /nfs/dbraw/zinc/13/28/14/379132814.db2.gz WNRUMNDWABOJCJ-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM O=C([O-])CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1 ZINC000299777242 379135989 /nfs/dbraw/zinc/13/59/89/379135989.db2.gz OAMDFKOFXXKOIK-CQSZACIVSA-N -1 0 281.739 2.396 50 0 CEAARM Cc1ccc(C)c([C@@H]2CN(CC(=O)[O-])[C@H](C)CO2)c1 ZINC000266597823 190270238 /nfs/dbraw/zinc/27/02/38/190270238.db2.gz OYLYAURNQRPLJY-OCCSQVGLSA-N -1 0 263.337 2.150 50 0 CEAARM O=C([O-])c1cc(Br)ncc1Br ZINC000014989100 304221482 /nfs/dbraw/zinc/22/14/82/304221482.db2.gz CLIZDLYBXIPXCR-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM O=C([O-])c1cc(Br)nc(Br)c1 ZINC000026898868 304221525 /nfs/dbraw/zinc/22/15/25/304221525.db2.gz AULQTVXAKNKCCA-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM Nc1c(Cl)cc(NC(=O)/C=C/C(=O)[O-])cc1Cl ZINC000000034753 169511640 /nfs/dbraw/zinc/51/16/40/169511640.db2.gz VGHDBOKWFSYITP-OWOJBTEDSA-N -1 0 275.091 2.155 50 0 CEAARM O=C([O-])c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 ZINC000000395536 304229208 /nfs/dbraw/zinc/22/92/08/304229208.db2.gz KCDCNGXPPGQERR-UHFFFAOYSA-N -1 0 285.299 2.190 50 0 in-vitro CEAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCCC[C@H]2CCC(=O)[O-])O1 ZINC000263434449 297369921 /nfs/dbraw/zinc/36/99/21/297369921.db2.gz OFXFKUAVXATSDF-OPDFLTKYSA-N -1 0 283.368 2.046 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000000273804 169594350 /nfs/dbraw/zinc/59/43/50/169594350.db2.gz ZMFPWTJSJOHKEQ-ZHACJKMWSA-N -1 0 295.294 2.497 50 0 CEAARM O=C([O-])c1ccc2c(c1)C[C@H](c1ccccc1)NC2=O ZINC000003399258 304253009 /nfs/dbraw/zinc/25/30/09/304253009.db2.gz DTYYCVFJXAQBJA-CQSZACIVSA-N -1 0 267.284 2.412 50 0 CEAARM O=C([O-])c1ccccc1[C@H]1CCN(c2ncccn2)C1 ZINC000072121905 304271764 /nfs/dbraw/zinc/27/17/64/304271764.db2.gz OPIBMOKSJKQHHC-NSHDSACASA-N -1 0 269.304 2.169 50 0 CEAARM O=C([O-])c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000040350780 304274827 /nfs/dbraw/zinc/27/48/27/304274827.db2.gz BNKNMXNILPUNQQ-UHFFFAOYSA-N -1 0 294.104 2.018 50 0 CEAARM CN(C/C=C/c1ccccc1)c1ncncc1C(=O)[O-] ZINC000095375466 184958575 /nfs/dbraw/zinc/95/85/75/184958575.db2.gz LJRSAZHFQKHWLE-VMPITWQZSA-N -1 0 269.304 2.324 50 0 CEAARM O=C([O-])c1nnn(-c2ccc(Cl)cc2)c1C1CC1 ZINC000011730637 304285386 /nfs/dbraw/zinc/28/53/86/304285386.db2.gz FSFZXBNLNYNJLL-UHFFFAOYSA-N -1 0 263.684 2.496 50 0 CEAARM CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000262054891 131187771 /nfs/dbraw/zinc/18/77/71/131187771.db2.gz CFRSLZKZPUBHOR-ZIAGYGMSSA-N -1 0 291.347 2.176 50 0 CEAARM Cc1cc(NC(=O)[C@H]2CCO[C@@H](C)C2)ccc1C(=O)[O-] ZINC000262956524 131276190 /nfs/dbraw/zinc/27/61/90/131276190.db2.gz NMCJVEJPMRFMHM-QWRGUYRKSA-N -1 0 277.320 2.447 50 0 CEAARM CC1=C(C(=O)[O-])[C@@H](c2ccccc2)N(C)C(=O)N1C ZINC000003846949 394454401 /nfs/dbraw/zinc/45/44/01/394454401.db2.gz OPNHLILMXFDNLY-GFCCVEGCSA-N -1 0 260.293 2.084 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000237279236 394491218 /nfs/dbraw/zinc/49/12/18/394491218.db2.gz UETVHXWNTGSKOX-RYUDHWBXSA-N -1 0 297.301 2.392 50 0 CEAARM CC(C)c1noc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000246885330 394522759 /nfs/dbraw/zinc/52/27/59/394522759.db2.gz WRKSYDIZNVOBLZ-WOPDTQHZSA-N -1 0 293.367 2.411 50 0 CEAARM CN(C)c1ccccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000096405219 394680648 /nfs/dbraw/zinc/68/06/48/394680648.db2.gz TZVQRTJHNMYJGC-UHFFFAOYSA-N -1 0 295.339 2.088 50 0 CEAARM Cc1ccnc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000104273922 400260810 /nfs/dbraw/zinc/26/08/10/400260810.db2.gz MVNCBCUBUMGZEU-GHMZBOCLSA-N -1 0 262.309 2.220 50 0 CEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CC=CCC1 ZINC000263506968 296682441 /nfs/dbraw/zinc/68/24/41/296682441.db2.gz MHANUQUIRBUWHX-WOPDTQHZSA-N -1 0 251.326 2.054 50 0 CEAARM Cc1cscc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262182798 153924347 /nfs/dbraw/zinc/92/43/47/153924347.db2.gz RUINVDCTZTVWPN-LLVKDONJSA-N -1 0 279.361 2.383 50 0 CEAARM C[C@]1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1(F)F ZINC000263087362 154015339 /nfs/dbraw/zinc/01/53/39/154015339.db2.gz BUVBUAQVETWAHZ-CYBMUJFWSA-N -1 0 283.274 2.089 50 0 CEAARM Cc1nc(-c2ccccn2)nc(N(C)CCC(=O)[O-])c1C ZINC000263429195 154082039 /nfs/dbraw/zinc/08/20/39/154082039.db2.gz SCUGZJVZUUPXTP-UHFFFAOYSA-N -1 0 286.335 2.066 50 0 CEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)ccc1F ZINC000263521869 154111407 /nfs/dbraw/zinc/11/14/07/154111407.db2.gz RHMSKYPEXAXTCQ-BDAKNGLRSA-N -1 0 283.274 2.290 50 0 CEAARM Cc1scc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1C ZINC000263555764 154124416 /nfs/dbraw/zinc/12/44/16/154124416.db2.gz YSKZNMFQCATZLM-GFCCVEGCSA-N -1 0 271.313 2.004 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)CCc2ccoc2)c2ccccc21 ZINC000263553980 154124426 /nfs/dbraw/zinc/12/44/26/154124426.db2.gz XYGONQFGGAFHTP-ZDUSSCGKSA-N -1 0 285.299 2.427 50 0 CEAARM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC000263568251 154129422 /nfs/dbraw/zinc/12/94/22/154129422.db2.gz YHUWMQPXFWDPSC-VIFPVBQESA-N -1 0 290.319 2.003 50 0 CEAARM Cc1cc(C)nc(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000001921676 169763238 /nfs/dbraw/zinc/76/32/38/169763238.db2.gz JRGMOIMJTPVPOR-UHFFFAOYSA-N -1 0 259.265 2.241 50 0 CEAARM O=Cc1cn(CCC(=O)[O-])nc1-c1cccc(Cl)c1 ZINC000004279420 169952247 /nfs/dbraw/zinc/95/22/47/169952247.db2.gz OWZHOLACDNJKGX-UHFFFAOYSA-N -1 0 278.695 2.491 50 0 CEAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000004884323 170036392 /nfs/dbraw/zinc/03/63/92/170036392.db2.gz CPOMHNOQUIWYBL-UHFFFAOYSA-N -1 0 282.321 2.101 50 0 CEAARM O=c1cc([O-])c2sc(SCc3ccncc3)nc2[nH]1 ZINC000004945354 170043558 /nfs/dbraw/zinc/04/35/58/170043558.db2.gz PPPMFZJZHNFPKY-UHFFFAOYSA-N -1 0 291.357 2.378 50 0 CEAARM COc1ccccc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-] ZINC000005072363 170064059 /nfs/dbraw/zinc/06/40/59/170064059.db2.gz OXATXEXWROVPOY-XFFZJAGNSA-N -1 0 291.332 2.340 50 0 CEAARM CCc1cc2c(cc1[O-])occ(-n1ccccc1=O)c2=O ZINC000005686761 170128753 /nfs/dbraw/zinc/12/87/53/170128753.db2.gz NRBQSALPIAJXHZ-UHFFFAOYSA-N -1 0 283.283 2.212 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccc1F ZINC000006698635 170227622 /nfs/dbraw/zinc/22/76/22/170227622.db2.gz UQUJKRFYRXFSHJ-NWDGAFQWSA-N -1 0 279.311 2.333 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cn1 ZINC000006699681 170228606 /nfs/dbraw/zinc/22/86/06/170228606.db2.gz VGYBCKQACGAPSS-UHFFFAOYSA-N -1 0 283.328 2.151 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccccc1 ZINC000006728910 170234289 /nfs/dbraw/zinc/23/42/89/170234289.db2.gz GDGDWULESJQMHB-PFSRBDOWSA-N -1 0 287.359 2.440 50 0 CEAARM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccs1 ZINC000007050427 170264483 /nfs/dbraw/zinc/26/44/83/170264483.db2.gz JJGFQAUZZXFRBV-UHFFFAOYSA-N -1 0 279.346 2.425 50 0 CEAARM CC(C)[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007212510 170272068 /nfs/dbraw/zinc/27/20/68/170272068.db2.gz IYTFQPGJPNLUSJ-MRVPVSSYSA-N -1 0 263.309 2.288 50 0 CEAARM CCCC(=O)Nc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000009229910 170367594 /nfs/dbraw/zinc/36/75/94/170367594.db2.gz YFSLIMJARIJVRX-BQYQJAHWSA-N -1 0 276.292 2.005 50 0 CEAARM CC[C@@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000012138841 170470736 /nfs/dbraw/zinc/47/07/36/170470736.db2.gz CENLXXMXHJRJKK-SNVBAGLBSA-N -1 0 292.335 2.018 50 0 CEAARM COc1ccc([S@@](=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000015827494 170678563 /nfs/dbraw/zinc/67/85/63/170678563.db2.gz SBXGFFXICGTDMR-LJQANCHMSA-N -1 0 280.301 2.294 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cn1C ZINC000021940718 171337962 /nfs/dbraw/zinc/33/79/62/171337962.db2.gz JAYXPLXINUBYQI-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CCc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000022159516 171363643 /nfs/dbraw/zinc/36/36/43/171363643.db2.gz UIOUEHWZVIEQIG-UHFFFAOYSA-N -1 0 294.332 2.076 50 0 CEAARM CCCc1nc(CN2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000035297095 172109795 /nfs/dbraw/zinc/10/97/95/172109795.db2.gz KCNJTUUIFNQCMD-SNVBAGLBSA-N -1 0 268.382 2.392 50 0 CEAARM O=C([O-])[C@H]1CCCN1Cc1cc(-c2cccs2)on1 ZINC000035301407 172115527 /nfs/dbraw/zinc/11/55/27/172115527.db2.gz SXGWDVBGPQFVKX-SNVBAGLBSA-N -1 0 278.333 2.452 50 0 CEAARM O=C([O-])CCCCCNC(=O)Cn1ccc2ccccc21 ZINC000036359548 172625647 /nfs/dbraw/zinc/62/56/47/172625647.db2.gz ZITYJNNLJNFUPR-UHFFFAOYSA-N -1 0 288.347 2.403 50 0 CEAARM CCn1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n1 ZINC000036619585 172641671 /nfs/dbraw/zinc/64/16/71/172641671.db2.gz BKYMXVIMSVPQQU-UHFFFAOYSA-N -1 0 299.783 2.498 50 0 CEAARM Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037410433 173187217 /nfs/dbraw/zinc/18/72/17/173187217.db2.gz IOYRBZZAAUBPKP-MMQHEFTJSA-N -1 0 259.305 2.084 50 0 CEAARM Cc1ccc(SCC(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC000037412655 173189131 /nfs/dbraw/zinc/18/91/31/173189131.db2.gz BWQINNHMIIRLMN-SNVBAGLBSA-N -1 0 267.350 2.067 50 0 CEAARM C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000037518014 173248797 /nfs/dbraw/zinc/24/87/97/173248797.db2.gz UOZVNJNCGFRNKG-ONOSFVFSSA-N -1 0 267.712 2.238 50 0 CEAARM Cc1cc(Cn2cc(Br)cn2)oc1C(=O)[O-] ZINC000038054193 174065786 /nfs/dbraw/zinc/06/57/86/174065786.db2.gz WLCLQBADVCRIMG-UHFFFAOYSA-N -1 0 285.097 2.294 50 0 CEAARM Cc1oc(CNC(=O)C2CCCC2)cc1C(=O)[O-] ZINC000038059680 174069329 /nfs/dbraw/zinc/06/93/29/174069329.db2.gz OIADKSIGIKALAF-UHFFFAOYSA-N -1 0 251.282 2.093 50 0 CEAARM CCOC1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000040690332 174377088 /nfs/dbraw/zinc/37/70/88/174377088.db2.gz KQPJHIMYMDWVRU-UHFFFAOYSA-N -1 0 292.335 2.418 50 0 CEAARM O=S(=O)([N-]c1ccc(CCO)cc1)c1ccccc1F ZINC000040715640 174382895 /nfs/dbraw/zinc/38/28/95/174382895.db2.gz CKFFHTNNYRPSTL-UHFFFAOYSA-N -1 0 295.335 2.161 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](Nc2nc3cccc(F)c3s2)[C@@H](O)C1 ZINC000662898073 414795664 /nfs/dbraw/zinc/79/56/64/414795664.db2.gz RIAMMAPISPWJKG-QUNWWBBNSA-N -1 0 296.323 2.071 50 0 CEAARM CCOC(=O)C(CC)=C([O-])c1cccc(OC)c1 ZINC000043501932 175059027 /nfs/dbraw/zinc/05/90/27/175059027.db2.gz AHACBSHOBOWKJW-GFCCVEGCSA-N -1 0 250.294 2.467 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2nccc3ccccc32)C1 ZINC000043512322 175060489 /nfs/dbraw/zinc/06/04/89/175060489.db2.gz KRSZVPOPGONCIN-GFCCVEGCSA-N -1 0 284.315 2.172 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000043583406 175070306 /nfs/dbraw/zinc/07/03/06/175070306.db2.gz KBKWPLJVJIIFCV-SNVBAGLBSA-N -1 0 267.350 2.465 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000043583292 175070391 /nfs/dbraw/zinc/07/03/91/175070391.db2.gz GCWZWPJQUQXMRQ-GFCCVEGCSA-N -1 0 293.338 2.472 50 0 CEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000054051118 175553165 /nfs/dbraw/zinc/55/31/65/175553165.db2.gz QTOXRSSWXWRKIE-ZETCQYMHSA-N -1 0 275.226 2.251 50 0 CEAARM Cn1ncc(C2CC2)c1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000659138646 415415389 /nfs/dbraw/zinc/41/53/89/415415389.db2.gz ZGBJVIMNADSEHX-UHFFFAOYSA-N -1 0 299.330 2.177 50 0 CEAARM CC(C)(C)CN(CC(=O)[O-])C(=O)Cc1ccsc1 ZINC000659785405 415679997 /nfs/dbraw/zinc/67/99/97/415679997.db2.gz WHUCNAGQQXXQLM-UHFFFAOYSA-N -1 0 269.366 2.250 50 0 CEAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)nc2)[C@@H]1C(=O)[O-] ZINC000071282301 176108942 /nfs/dbraw/zinc/10/89/42/176108942.db2.gz VWDWGFKEDWWTJE-DTWKUNHWSA-N -1 0 268.700 2.030 50 0 CEAARM CC(=O)NC1=C(C(=O)[O-])[C@@H](C(C)C)Cc2ccccc21 ZINC000000517589 278086463 /nfs/dbraw/zinc/08/64/63/278086463.db2.gz HRUHVJYBEVXJEG-CYBMUJFWSA-N -1 0 273.332 2.447 50 0 CEAARM CC[C@H](NC(=O)c1scnc1C(C)(C)C)C(=O)[O-] ZINC000097035875 288033085 /nfs/dbraw/zinc/03/30/85/288033085.db2.gz ICFRXMZISRRPPV-ZETCQYMHSA-N -1 0 270.354 2.034 50 0 CEAARM CC(C)(C)OC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC000002517136 278419563 /nfs/dbraw/zinc/41/95/63/278419563.db2.gz ZJYIVHWYSNWCSX-LBPRGKRZSA-N -1 0 293.319 2.139 50 0 CEAARM CC(C)(NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000040909371 278631433 /nfs/dbraw/zinc/63/14/33/278631433.db2.gz SWURIJHSQKIPHU-UHFFFAOYSA-N -1 0 286.125 2.042 50 0 CEAARM CC(C)[C@@]1(C)CC(=O)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000035281993 280120589 /nfs/dbraw/zinc/12/05/89/280120589.db2.gz WXGHNHPDKHQVIG-XJKSGUPXSA-N -1 0 289.331 2.234 50 0 CEAARM Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000208202101 280206049 /nfs/dbraw/zinc/20/60/49/280206049.db2.gz IOYRBZZAAUBPKP-LJTDUEICSA-N -1 0 259.305 2.084 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2ccnc3ccccc23)C1 ZINC000255618929 280508239 /nfs/dbraw/zinc/50/82/39/280508239.db2.gz XNAICVCXLATPQG-SZZPACECSA-N -1 0 296.326 2.181 50 0 CEAARM CCC1C(=O)N(C2CCCCC2)C(=S)N=C1[O-] ZINC000100386521 281373803 /nfs/dbraw/zinc/37/38/03/281373803.db2.gz IMEQYFIRZBCJJO-UHFFFAOYSA-N -1 0 254.355 2.305 50 0 CEAARM CC1(C)OC[C@@H](c2oc3c(c2[O-])OC(C)(C)O3)O1 ZINC000169725985 281416424 /nfs/dbraw/zinc/41/64/24/281416424.db2.gz PPSLWKFLQIQCPS-LURJTMIESA-N -1 0 256.254 2.317 50 0 CEAARM Cc1nn2c([n-]1)c1c3c(sc1nc2=O)CC[C@@H](C)C3 ZINC000024544728 293441572 /nfs/dbraw/zinc/44/15/72/293441572.db2.gz UKUPBUBWMFFURP-ZCFIWIBFSA-N -1 0 274.349 2.478 50 0 CEAARM COc1ccc(-c2ccnc3cc(C(=O)[O-])nn32)cc1 ZINC000002526584 295047217 /nfs/dbraw/zinc/04/72/17/295047217.db2.gz YVQIVWLVEPIYJL-UHFFFAOYSA-N -1 0 269.260 2.103 50 0 CEAARM COc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cn1 ZINC000055359365 295049460 /nfs/dbraw/zinc/04/94/60/295049460.db2.gz WQNFHYFFSCPFPZ-UHFFFAOYSA-N -1 0 269.260 2.332 50 0 CEAARM CSCCC(=O)N1CCC[C@](CC2CC2)(C(=O)[O-])C1 ZINC000092062032 295589958 /nfs/dbraw/zinc/58/99/58/295589958.db2.gz ARDMDBRQVCYJHT-CQSZACIVSA-N -1 0 285.409 2.233 50 0 CEAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000003186071 297232541 /nfs/dbraw/zinc/23/25/41/297232541.db2.gz NQDJZPKCSPMOQQ-GHMZBOCLSA-N -1 0 297.376 2.051 50 0 CEAARM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(O)c1 ZINC000262794005 301520313 /nfs/dbraw/zinc/52/03/13/301520313.db2.gz LHBZRKACMXJSSL-WDMOLILDSA-N -1 0 289.331 2.026 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000100548345 301532767 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O=C([O-])[C@H]1CN(C(=O)c2ccco2)c2ccccc21 ZINC000133858383 534537899 /nfs/dbraw/zinc/53/78/99/534537899.db2.gz QPVAFLNXBDPFLR-JTQLQIEISA-N -1 0 257.245 2.108 50 0 CEAARM CN(C(=O)C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000585079841 601679214 /nfs/dbraw/zinc/67/92/14/601679214.db2.gz YWSWLFOOIWJNFG-DZGCQCFKSA-N -1 0 291.347 2.230 50 0 CEAARM C[C@@H](C1CC1)N(C(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000118312701 624368523 /nfs/dbraw/zinc/36/85/23/624368523.db2.gz SIAQMMCEFGHSCZ-JTQLQIEISA-N -1 0 297.358 2.326 50 0 CEAARM CC(C)c1ncc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000262758248 631218584 /nfs/dbraw/zinc/21/85/84/631218584.db2.gz KESRAYCTRXLMDA-QMMMGPOBSA-N -1 0 282.365 2.344 50 0 CEAARM CC[C@@H]1CC[C@@H](C)N1C(=O)c1csc(C(=O)[O-])n1 ZINC000227273883 639580234 /nfs/dbraw/zinc/58/02/34/639580234.db2.gz BJKVJFHBLQHUEM-HTQZYQBOSA-N -1 0 268.338 2.244 50 0 CEAARM O=C(CCCC1CCCCC1)N1CC[C@H](c2nnn[n-]2)C1 ZINC000952994777 642620767 /nfs/dbraw/zinc/62/07/67/642620767.db2.gz 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CCOc1ccccc1[C@@H]1[C@H](C(=O)[O-])CCC(=O)N1C ZINC000040488281 361993788 /nfs/dbraw/zinc/99/37/88/361993788.db2.gz BJFJEJRRWSCHLL-BXUZGUMPSA-N -1 0 277.320 2.079 50 0 CEAARM CCN(CC(=O)[O-])C(=O)/C(C)=C/c1ccc(F)cc1 ZINC000097035590 185166334 /nfs/dbraw/zinc/16/63/34/185166334.db2.gz HKXMUZDDXIUKKQ-CSKARUKUSA-N -1 0 265.284 2.162 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000097035560 185166477 /nfs/dbraw/zinc/16/64/77/185166477.db2.gz WQBNUZGGFRNWRK-WDEREUQCSA-N -1 0 281.377 2.483 50 0 CEAARM O=C([O-])[C@@H](NC(=O)c1ccsc1)c1ccccc1F ZINC000097036439 185166586 /nfs/dbraw/zinc/16/65/86/185166586.db2.gz YERRGAXYLFSJSM-NSHDSACASA-N -1 0 279.292 2.443 50 0 CEAARM COc1ccc([S@@](=O)[O-])c(Br)c1 ZINC000078168603 539183676 /nfs/dbraw/zinc/18/36/76/539183676.db2.gz BDZKEFBQVUZRNK-UHFFFAOYSA-N -1 0 251.101 2.038 50 0 CEAARM CCc1nc2sc3c(c2c(NCC(=O)[O-])n1)CCC3 ZINC000041090236 362017207 /nfs/dbraw/zinc/01/72/07/362017207.db2.gz YBCBVUJYNKDPLQ-UHFFFAOYSA-N -1 0 277.349 2.239 50 0 CEAARM CCc1cc2c(nc(CC)nc2N(C)CC(=O)[O-])s1 ZINC000041090307 362017635 /nfs/dbraw/zinc/01/76/35/362017635.db2.gz ZXAKHEOPQMEJFX-UHFFFAOYSA-N -1 0 279.365 2.337 50 0 CEAARM Cc1oc(-c2ccc3c(c2)OCO3)nc1CC(=O)[O-] ZINC000041349935 362029939 /nfs/dbraw/zinc/02/99/39/362029939.db2.gz RDSONUHNWKOJJO-UHFFFAOYSA-N -1 0 261.233 2.006 50 0 CEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000043827393 362150535 /nfs/dbraw/zinc/15/05/35/362150535.db2.gz NKZAZUYDWWUQBL-CYBMUJFWSA-N -1 0 257.330 2.498 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000218460932 344536279 /nfs/dbraw/zinc/53/62/79/344536279.db2.gz MVDPCELOHPVRAH-DGMVEKRQSA-N -1 0 277.320 2.396 50 0 CEAARM O=C([O-])C1CCN(C(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC000223355264 344541688 /nfs/dbraw/zinc/54/16/88/344541688.db2.gz HLQMIJXHBQGTCO-HNNXBMFYSA-N -1 0 287.359 2.115 50 0 CEAARM O=C([O-])c1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000050213489 362410916 /nfs/dbraw/zinc/41/09/16/362410916.db2.gz BOJOBFVDYCGLCW-UHFFFAOYSA-N -1 0 272.091 2.331 50 0 CEAARM Cc1cc(C(=O)[O-])ccc1I ZINC000001440335 301154833 /nfs/dbraw/zinc/15/48/33/301154833.db2.gz DKMIWBBIVNNAMG-UHFFFAOYSA-N -1 0 262.046 2.298 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000058062787 362607607 /nfs/dbraw/zinc/60/76/07/362607607.db2.gz RWOJFWWNYMJWLH-SECBINFHSA-N -1 0 287.237 2.139 50 0 CEAARM CCN(CC)c1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000058065168 362607676 /nfs/dbraw/zinc/60/76/76/362607676.db2.gz MRLJASLNROPOKL-UHFFFAOYSA-N -1 0 250.298 2.189 50 0 CEAARM CC(C)CN(CC(=O)[O-])C(=O)c1cc(F)ccc1F ZINC000059881242 362653682 /nfs/dbraw/zinc/65/36/82/362653682.db2.gz CSGAHIRYVHBTMA-UHFFFAOYSA-N -1 0 271.263 2.148 50 0 CEAARM CC(C)c1nc(C(=O)NCCCCC(=O)[O-])cs1 ZINC000097228599 185567544 /nfs/dbraw/zinc/56/75/44/185567544.db2.gz IHECWKUNBKDIEA-UHFFFAOYSA-N -1 0 270.354 2.251 50 0 CEAARM CO[C@@H]1CCC[C@@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000128339487 187364426 /nfs/dbraw/zinc/36/44/26/187364426.db2.gz QGDLJPOQZXVPOL-GXSJLCMTSA-N -1 0 292.360 2.414 50 0 CEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000062851420 362725399 /nfs/dbraw/zinc/72/53/99/362725399.db2.gz AQOQGWDUHSPKTE-CQSZACIVSA-N -1 0 287.356 2.125 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000062912983 362733748 /nfs/dbraw/zinc/73/37/48/362733748.db2.gz RSTOMNFKDDBRBV-NSHDSACASA-N -1 0 291.134 2.258 50 0 CEAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1F ZINC000063055388 362746481 /nfs/dbraw/zinc/74/64/81/362746481.db2.gz VRAMILZLTRKNCZ-UHFFFAOYSA-N -1 0 265.284 2.261 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccsc1 ZINC000063152944 362751895 /nfs/dbraw/zinc/75/18/95/362751895.db2.gz ZKIWRGVMLLWQRY-GHMZBOCLSA-N -1 0 265.334 2.031 50 0 CEAARM CC(C)CCNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000101453908 185740540 /nfs/dbraw/zinc/74/05/40/185740540.db2.gz ASJIJRQOJJLSMA-UHFFFAOYSA-N -1 0 288.347 2.020 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C\c2ccccn2)C1 ZINC000606441172 347473477 /nfs/dbraw/zinc/47/34/77/347473477.db2.gz XMNJVMRQSXIFIR-MEJMFZKBSA-N -1 0 288.347 2.198 50 0 CEAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc[nH]n1 ZINC000158409637 304005375 /nfs/dbraw/zinc/00/53/75/304005375.db2.gz FEXXLONSSNTHLJ-UHFFFAOYSA-N -1 0 260.278 2.092 50 0 CEAARM CC(C)(NC(=O)/C=C/c1ccco1)C(C)(C)C(=O)[O-] ZINC000087622513 179457104 /nfs/dbraw/zinc/45/71/04/179457104.db2.gz QLWOADALECZMBL-BQYQJAHWSA-N -1 0 265.309 2.298 50 0 CEAARM COc1cc(C(=O)[O-])c(NC(=O)c2ccccc2)cc1N ZINC000068606593 362944380 /nfs/dbraw/zinc/94/43/80/362944380.db2.gz WLAATFOVPJOHAQ-UHFFFAOYSA-N -1 0 286.287 2.228 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC000090622090 180015120 /nfs/dbraw/zinc/01/51/20/180015120.db2.gz RRSUJWSLYLQSFZ-LBPRGKRZSA-N -1 0 251.326 2.343 50 0 CEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCCC2)C1 ZINC000091350696 180137571 /nfs/dbraw/zinc/13/75/71/180137571.db2.gz QYHXMSAEYLGCAA-INIZCTEOSA-N -1 0 297.395 2.297 50 0 CEAARM CCC[C@@H]1CN(c2noc(C(C)C)n2)C[C@H]1C(=O)[O-] ZINC000091817954 180262961 /nfs/dbraw/zinc/26/29/61/180262961.db2.gz 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CEAARM O=C([O-])c1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000000039414 361120465 /nfs/dbraw/zinc/12/04/65/361120465.db2.gz FRAHNBWWMSAPGA-UHFFFAOYSA-N -1 0 263.150 2.303 50 0 CEAARM Cc1ccc(Cl)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000322574 361161372 /nfs/dbraw/zinc/16/13/72/361161372.db2.gz HFMQBZLBNDOOFS-MRVPVSSYSA-N -1 0 253.685 2.086 50 0 CEAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/C(=O)[O-] ZINC000000046751 361121561 /nfs/dbraw/zinc/12/15/61/361121561.db2.gz BFTZHIBQBQWJNU-AATRIKPKSA-N -1 0 297.332 2.121 50 0 CEAARM O=C([O-])CCCC(=O)Nc1nc2ccccc2s1 ZINC000000053728 361122560 /nfs/dbraw/zinc/12/25/60/361122560.db2.gz VWJNBVIMTRPISG-UHFFFAOYSA-N -1 0 264.306 2.490 50 0 CEAARM CCC(=O)c1c(OCC(=O)[O-])ccc2c(C)cc(=O)oc21 ZINC000000383213 361168551 /nfs/dbraw/zinc/16/85/51/361168551.db2.gz OGUXIZJUHUJCGM-UHFFFAOYSA-N -1 0 290.271 2.158 50 0 CEAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccc(C)cc1 ZINC000000381383 361168595 /nfs/dbraw/zinc/16/85/95/361168595.db2.gz YLZFLAXCYHWLKH-UHFFFAOYSA-N -1 0 273.292 2.147 50 0 CEAARM COc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000000448746 361176093 /nfs/dbraw/zinc/17/60/93/361176093.db2.gz PPKAIFDXEVAHPC-STQMWFEESA-N -1 0 275.304 2.301 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000001420814 361205494 /nfs/dbraw/zinc/20/54/94/361205494.db2.gz ZVYVZEUADCRFHK-JTQLQIEISA-N -1 0 257.330 2.498 50 0 CEAARM O=c1c2ccccc2nc(COc2ccccc2)n1[O-] ZINC000000545505 361185664 /nfs/dbraw/zinc/18/56/64/361185664.db2.gz DBENNQKBLNFIRG-UHFFFAOYSA-N -1 0 268.272 2.213 50 0 CEAARM O=C([O-])c1ccc(-n2cccc2/C=C/[N+](=O)[O-])cc1 ZINC000000805065 361192187 /nfs/dbraw/zinc/19/21/87/361192187.db2.gz WOGIPWKJELMGPG-VQHVLOKHSA-N -1 0 258.233 2.423 50 0 CEAARM CC(C)(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000873437 361194222 /nfs/dbraw/zinc/19/42/22/361194222.db2.gz AGOITVRYEADGHQ-ZDUSSCGKSA-N -1 0 288.347 2.326 50 0 CEAARM CC(=O)Nc1ccc(S(=O)(=O)[O-])c2ccccc12 ZINC000001752229 361220899 /nfs/dbraw/zinc/22/08/99/361220899.db2.gz KBFCJMIZQUTTKS-UHFFFAOYSA-N -1 0 265.290 2.045 50 0 CEAARM CCCCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000001760397 361222202 /nfs/dbraw/zinc/22/22/02/361222202.db2.gz PIFLLCPFYBARGN-UHFFFAOYSA-N -1 0 285.365 2.243 50 0 CEAARM CCCCCOc1ccc([C@H]2NC(=O)NC2=O)cc1 ZINC000002294531 361232071 /nfs/dbraw/zinc/23/20/71/361232071.db2.gz FPVPUCWUYCPBFX-GFCCVEGCSA-N -1 0 262.309 2.136 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1cccnc1 ZINC000002585844 361242750 /nfs/dbraw/zinc/24/27/50/361242750.db2.gz GQWRNLFTLLZYBJ-SNVBAGLBSA-N -1 0 266.297 2.122 50 0 CEAARM CCOC(=O)c1ccccc1NC(=O)CC[C@H](C)C(=O)[O-] ZINC000003646771 361288964 /nfs/dbraw/zinc/28/89/64/361288964.db2.gz UAMGDSZHJGUMJP-JTQLQIEISA-N -1 0 293.319 2.303 50 0 CEAARM COc1cc(C(=O)[O-])cc(NC(=O)c2ccco2)c1OC ZINC000003319607 361273113 /nfs/dbraw/zinc/27/31/13/361273113.db2.gz QBYQMLJNOQWYID-UHFFFAOYSA-N -1 0 291.259 2.247 50 0 CEAARM Cc1ccc(-c2nn(CCC(=O)[O-])cc2C=O)cc1 ZINC000004279402 361308798 /nfs/dbraw/zinc/30/87/98/361308798.db2.gz OYCDSHRPXSIJGT-UHFFFAOYSA-N -1 0 258.277 2.146 50 0 CEAARM CCOCCC1(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CCCC1 ZINC000237037182 370681779 /nfs/dbraw/zinc/68/17/79/370681779.db2.gz UOMHLAMLLXFTAU-OAHLLOKOSA-N -1 0 297.395 2.297 50 0 CEAARM O=C(COc1cccc(F)c1)[N-]OCc1ccccc1 ZINC000010318894 361350114 /nfs/dbraw/zinc/35/01/14/361350114.db2.gz BBVINOZRLPQGQF-UHFFFAOYSA-N -1 0 275.279 2.453 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(OC(F)F)c2)N1 ZINC000011766254 361364555 /nfs/dbraw/zinc/36/45/55/361364555.db2.gz MKELJKCVNKLGPM-IUCAKERBSA-N -1 0 275.276 2.076 50 0 CEAARM Cc1ccc(NC(=O)c2ccncc2)c(C(=O)[O-])c1 ZINC000012421339 361383804 /nfs/dbraw/zinc/38/38/04/361383804.db2.gz KFUPCISHLGMGBU-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccnc2)C1 ZINC000012954689 361410793 /nfs/dbraw/zinc/41/07/93/361410793.db2.gz SJINPULFJCWKFE-NEPJUHHUSA-N -1 0 292.335 2.117 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCOc2ccccc2)C1 ZINC000013170656 361422142 /nfs/dbraw/zinc/42/21/42/361422142.db2.gz 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/nfs/dbraw/zinc/57/49/51/361574951.db2.gz NCRJSXYOJDBICO-UHFFFAOYSA-N -1 0 253.261 2.178 50 0 CEAARM CSc1ncc(C(=O)[O-])c(NC2CCCC2)n1 ZINC000020385503 361583517 /nfs/dbraw/zinc/58/35/17/361583517.db2.gz GZXJDOFLCMEPGA-UHFFFAOYSA-N -1 0 253.327 2.251 50 0 CEAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])Cc1ccccn1 ZINC000032126574 361730321 /nfs/dbraw/zinc/73/03/21/361730321.db2.gz QKNOPLLWNBGGJG-UHFFFAOYSA-N -1 0 280.324 2.293 50 0 CEAARM CC(C)(NC(=O)Cc1ccccc1F)C(C)(C)C(=O)[O-] ZINC000087622493 363863605 /nfs/dbraw/zinc/86/36/05/363863605.db2.gz MGKABUCBHSJPOZ-UHFFFAOYSA-N -1 0 281.327 2.374 50 0 CEAARM O=C([O-])[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000020353699 304111035 /nfs/dbraw/zinc/11/10/35/304111035.db2.gz ZLGAIZATGMSSMM-MRVPVSSYSA-N -1 0 274.242 2.401 50 0 CEAARM COc1ccc(CN(C)Cc2cscn2)cc1C(=O)[O-] ZINC000087829387 363872659 /nfs/dbraw/zinc/87/26/59/363872659.db2.gz OIIUDTIVUQVVOR-UHFFFAOYSA-N -1 0 292.360 2.482 50 0 CEAARM O=S(=O)([N-]c1cn[nH]c1)c1cccc2ccccc21 ZINC000090230691 364050796 /nfs/dbraw/zinc/05/07/96/364050796.db2.gz WXRRWHCPBSNFLS-UHFFFAOYSA-N -1 0 273.317 2.364 50 0 CEAARM COc1ccc([C@H](C)CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237235932 370703720 /nfs/dbraw/zinc/70/37/20/370703720.db2.gz GVLGPPPLWDRPBC-YPMHNXCESA-N -1 0 291.347 2.122 50 0 CEAARM C[C@H](CN(C)C(=O)[C@H]1SCCc2ccccc21)C(=O)[O-] ZINC000237565349 370733657 /nfs/dbraw/zinc/73/36/57/370733657.db2.gz BAOPKTCVNIBCJT-MFKMUULPSA-N -1 0 293.388 2.196 50 0 CEAARM COc1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1F ZINC000237358536 370714694 /nfs/dbraw/zinc/71/46/94/370714694.db2.gz HIFGBZKNEXFHBM-UHFFFAOYSA-N -1 0 295.310 2.352 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000237408209 370718412 /nfs/dbraw/zinc/71/84/12/370718412.db2.gz HTXVPHQEPHEWEA-JOYOIKCWSA-N -1 0 265.284 2.005 50 0 CEAARM Cc1ccsc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237467484 370723780 /nfs/dbraw/zinc/72/37/80/370723780.db2.gz KOPPPHYPRNCCIF-VIFPVBQESA-N -1 0 267.350 2.382 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 ZINC000238004559 370765744 /nfs/dbraw/zinc/76/57/44/370765744.db2.gz XMNJVMRQSXIFIR-SBDDDAINSA-N -1 0 288.347 2.198 50 0 CEAARM Cc1ccc(CCCC(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC000237692039 370745076 /nfs/dbraw/zinc/74/50/76/370745076.db2.gz VBBCKHKWMBIBFZ-LBPRGKRZSA-N -1 0 281.377 2.455 50 0 CEAARM Cc1sc(NC(=O)CN2CCC[C@H]2C(=O)[O-])c(C)c1C ZINC000237707379 370746414 /nfs/dbraw/zinc/74/64/14/370746414.db2.gz IGFVNEAHVHOHMG-NSHDSACASA-N -1 0 296.392 2.161 50 0 CEAARM Cc1ccc2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c(C)nc2c1 ZINC000237889058 370757578 /nfs/dbraw/zinc/75/75/78/370757578.db2.gz WJVBVAIPPOGMKL-CYBMUJFWSA-N -1 0 298.342 2.398 50 0 CEAARM O=C([O-])C1CCC(NC(=O)Cc2ccc(F)cc2F)CC1 ZINC000095066188 364328706 /nfs/dbraw/zinc/32/87/06/364328706.db2.gz ALYUOVHOKSWXQF-UHFFFAOYSA-N -1 0 297.301 2.267 50 0 CEAARM COCCN(C)[C@H](C(=O)[O-])c1cc(Cl)ccc1OC ZINC000095382565 364353364 /nfs/dbraw/zinc/35/33/64/364353364.db2.gz PTIUSBVHRVEZNH-LBPRGKRZSA-N -1 0 287.743 2.053 50 0 CEAARM Cc1nnc(CN(C)[C@@H](C(=O)[O-])c2ccc(C)cc2C)o1 ZINC000095386987 364354803 /nfs/dbraw/zinc/35/48/03/364354803.db2.gz SYBJUGBHVSJTGK-CQSZACIVSA-N -1 0 289.335 2.253 50 0 CEAARM Cc1oc(-c2cccs2)nc1C(=O)N(C)CCC(=O)[O-] ZINC000095389890 364355134 /nfs/dbraw/zinc/35/51/34/364355134.db2.gz UHOWCCDIXNHOSN-UHFFFAOYSA-N -1 0 294.332 2.258 50 0 CEAARM CCC[C@](C)(NC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000095393075 364355948 /nfs/dbraw/zinc/35/59/48/364355948.db2.gz CJTPTEVQONGDAZ-LRDDRELGSA-N -1 0 291.347 2.312 50 0 CEAARM CC(C)[C@@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000095424138 364370135 /nfs/dbraw/zinc/37/01/35/364370135.db2.gz COECRKQWBXLLNF-JOYOIKCWSA-N -1 0 267.300 2.155 50 0 CEAARM Cc1oc(CN(C)C(=O)c2ccoc2)cc1C(=O)[O-] ZINC000095425070 364370856 /nfs/dbraw/zinc/37/08/56/364370856.db2.gz DNZHTVRTMODLDH-UHFFFAOYSA-N -1 0 263.249 2.151 50 0 CEAARM O=C([O-])c1cc(Nc2nc(O)cs2)ccc1Cl ZINC000095470846 364388770 /nfs/dbraw/zinc/38/87/70/364388770.db2.gz 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/nfs/dbraw/zinc/37/40/80/367374080.db2.gz YEOVMMUHKHTFIJ-ZDUSSCGKSA-N -1 0 282.365 2.250 50 0 CEAARM CC[C@H](C)c1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)on1 ZINC000225459024 189752831 /nfs/dbraw/zinc/75/28/31/189752831.db2.gz SHSOPTIKRZWIJW-AUTRQRHGSA-N -1 0 282.340 2.417 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)COc2ccccc2)c2ccccc21 ZINC000177467206 368268261 /nfs/dbraw/zinc/26/82/61/368268261.db2.gz OTQSIQZVSWLROT-AWEZNQCLSA-N -1 0 297.310 2.280 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000213384215 370168545 /nfs/dbraw/zinc/16/85/45/370168545.db2.gz UVQQFVUKHXAXEZ-UUSYTGMJSA-N -1 0 279.723 2.286 50 0 CEAARM CS(=O)(=O)[N-]c1cccc2oc(C(F)(F)F)nc21 ZINC000195580606 370143825 /nfs/dbraw/zinc/14/38/25/370143825.db2.gz FBUQFWNQQMNBPL-UHFFFAOYSA-N -1 0 280.227 2.218 50 0 CEAARM CC(C)(C)n1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000218989978 370216530 /nfs/dbraw/zinc/21/65/30/370216530.db2.gz OELXXWKQKGGYRU-UHFFFAOYSA-N -1 0 290.319 2.464 50 0 CEAARM 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304174345 /nfs/dbraw/zinc/17/43/45/304174345.db2.gz VRTYWVHTHDSHOH-TYUFSLCMSA-N -1 0 265.353 2.136 50 0 CEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCCCC1 ZINC000005828565 304174276 /nfs/dbraw/zinc/17/42/76/304174276.db2.gz VRTYWVHTHDSHOH-TUUUFIMRSA-N -1 0 265.353 2.136 50 0 CEAARM Cc1cc(Br)cn2cc(C(=O)[O-])nc12 ZINC000004024460 291665305 /nfs/dbraw/zinc/66/53/05/291665305.db2.gz WFFIWTWLWKGLPB-UHFFFAOYSA-N -1 0 255.071 2.103 50 0 CEAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@H]2CC2(C)C)c1 ZINC000426597362 377422293 /nfs/dbraw/zinc/42/22/93/377422293.db2.gz FJBBTHNENHMDQQ-LLVKDONJSA-N -1 0 277.320 2.169 50 0 CEAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1n[nH]c(C)c1Cl ZINC000426667340 377427988 /nfs/dbraw/zinc/42/79/88/377427988.db2.gz AJXJMNPPNPAYJY-MRVPVSSYSA-N -1 0 287.747 2.135 50 0 CEAARM C[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Cl)C1 ZINC000299750627 379126737 /nfs/dbraw/zinc/12/67/37/379126737.db2.gz ODMQXPJZWVHOGT-CABZTGNLSA-N -1 0 269.728 2.186 50 0 CEAARM 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CC[C@@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263571945 131298650 /nfs/dbraw/zinc/29/86/50/131298650.db2.gz KEIQOFSXXBHUAW-LLVKDONJSA-N -1 0 277.320 2.022 50 0 CEAARM Cc1ccc2c(c1)N(Cc1ccc(C(=O)[O-])o1)C(=O)CO2 ZINC000035516845 134798530 /nfs/dbraw/zinc/79/85/30/134798530.db2.gz CJXFTCLYBAMVHI-UHFFFAOYSA-N -1 0 287.271 2.212 50 0 CEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCc2ccccn2)C1 ZINC000000069599 394448538 /nfs/dbraw/zinc/44/85/38/394448538.db2.gz DRPDOORITXZZMV-KGLIPLIRSA-N -1 0 288.347 2.145 50 0 CEAARM COCc1nc(=NC(=O)CC(C)(C)C(F)(F)F)s[n-]1 ZINC000331092873 394627961 /nfs/dbraw/zinc/62/79/61/394627961.db2.gz JGPJSVBWQZNTDM-UHFFFAOYSA-N -1 0 297.302 2.024 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2cccs2)C1 ZINC000096305169 394679186 /nfs/dbraw/zinc/67/91/86/394679186.db2.gz SWNNOFCHSWFUPT-OMMCCPJFSA-N -1 0 265.334 2.085 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cccc2ccncc21 ZINC000647729692 395750384 /nfs/dbraw/zinc/75/03/84/395750384.db2.gz MDXWFGZQJOTJPM-UHFFFAOYSA-N -1 0 272.304 2.172 50 0 CEAARM CC(C)c1cc(=O)n2nc(CNc3ccccc3)[n-]c2n1 ZINC000101403790 400251195 /nfs/dbraw/zinc/25/11/95/400251195.db2.gz PQTZXPRFWAWKLY-UHFFFAOYSA-N -1 0 283.335 2.153 50 0 CEAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000048236682 400190203 /nfs/dbraw/zinc/19/02/03/400190203.db2.gz VAOMCMKYGOWXMO-LRDDRELGSA-N -1 0 299.326 2.463 50 0 CEAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000048236680 400190514 /nfs/dbraw/zinc/19/05/14/400190514.db2.gz VAOMCMKYGOWXMO-WBMJQRKESA-N -1 0 299.326 2.463 50 0 CEAARM O=C([O-])[C@@H]1CCO[C@H]1c1ccnn1Cc1ccccc1 ZINC000238855220 400314718 /nfs/dbraw/zinc/31/47/18/400314718.db2.gz QTVVJRZSEMUYQK-TZMCWYRMSA-N -1 0 272.304 2.094 50 0 CEAARM Cc1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])cc(C)c1F ZINC000263037567 154009946 /nfs/dbraw/zinc/00/99/46/154009946.db2.gz OYEGPCRLFBOUJF-VIFPVBQESA-N -1 0 289.253 2.281 50 0 CEAARM CC(C)n1cnnc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC000263428095 154082751 /nfs/dbraw/zinc/08/27/51/154082751.db2.gz 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/nfs/dbraw/zinc/85/96/70/169859670.db2.gz ZXZXUZONTVYBRL-DTWKUNHWSA-N -1 0 273.210 2.365 50 0 CEAARM O=C(c1ccccc1)c1cccc(S(=O)(=O)[O-])c1 ZINC000003844749 169914828 /nfs/dbraw/zinc/91/48/28/169914828.db2.gz MGVDSBGNZUMFRD-UHFFFAOYSA-N -1 0 262.286 2.164 50 0 CEAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000004937478 170042508 /nfs/dbraw/zinc/04/25/08/170042508.db2.gz VDJIWVZPAFTBIF-UHFFFAOYSA-N -1 0 292.360 2.453 50 0 CEAARM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000005426999 170098037 /nfs/dbraw/zinc/09/80/37/170098037.db2.gz WFSPNIXVYXLDLL-LLVKDONJSA-N -1 0 250.298 2.226 50 0 CEAARM O=C([O-])C[C@@H](c1ccco1)N1Cc2ccccc2C1=O ZINC000005776520 170139571 /nfs/dbraw/zinc/13/95/71/170139571.db2.gz SEPAEPHVEAWXJH-LBPRGKRZSA-N -1 0 271.272 2.451 50 0 CEAARM CCCCn1c2ccccc2[nH]c1=NC(=O)CCC(=O)[O-] ZINC000005870610 170149124 /nfs/dbraw/zinc/14/91/24/170149124.db2.gz QISUCMOEXISWFF-UHFFFAOYSA-N -1 0 289.335 2.062 50 0 CEAARM Cc1c(S(=O)(=O)[N-]c2ccc(Cl)cc2)cnn1C ZINC000005941574 170159809 /nfs/dbraw/zinc/15/98/09/170159809.db2.gz HRWNAKIWCILGPA-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM O=c1c(-c2ccc(O)cc2O)coc2cc([O-])cc(O)c12 ZINC000006525249 170209771 /nfs/dbraw/zinc/20/97/71/170209771.db2.gz GSSOWCUOWLMMRJ-UHFFFAOYSA-N -1 0 286.239 2.282 50 0 endogenous,in-man CEAARM COCc1[n-]n2c(nc(C)cc2=O)c1-c1ccccc1 ZINC000009170415 170365606 /nfs/dbraw/zinc/36/56/06/170365606.db2.gz VCMYVBCUEDSVFH-UHFFFAOYSA-N -1 0 269.304 2.144 50 0 CEAARM O=C([O-])CCCCCCNC(=O)[C@H]1Cc2ccccc2O1 ZINC000019474416 170807003 /nfs/dbraw/zinc/80/70/03/170807003.db2.gz FKIZYWNLWIKHPA-CQSZACIVSA-N -1 0 291.347 2.141 50 0 CEAARM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccncc1 ZINC000022143932 171355727 /nfs/dbraw/zinc/35/57/27/171355727.db2.gz ORVJLHWQKFLCCR-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000022143423 171355792 /nfs/dbraw/zinc/35/57/92/171355792.db2.gz CDZKFBLFXXBNHQ-QMMMGPOBSA-N -1 0 254.307 2.413 50 0 CEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC1 ZINC000022147888 171357045 /nfs/dbraw/zinc/35/70/45/171357045.db2.gz MMIPPCWTGQKNSI-CQSZACIVSA-N -1 0 286.331 2.080 50 0 CEAARM CCCn1nc(C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000032508854 171730388 /nfs/dbraw/zinc/73/03/88/171730388.db2.gz CXNOJYLXCRIMFV-NWDGAFQWSA-N -1 0 293.367 2.431 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2cccs2)C1 ZINC000037410506 173187065 /nfs/dbraw/zinc/18/70/65/173187065.db2.gz KNFSVHUVLLUQAU-JTQLQIEISA-N -1 0 267.350 2.004 50 0 CEAARM O=C([O-])c1ccc(NC(=O)C[C@H]2Cn3cccc3C2=O)cc1 ZINC000039931086 174174875 /nfs/dbraw/zinc/17/48/75/174174875.db2.gz NKSGCKFVSCISOM-NSHDSACASA-N -1 0 298.298 2.028 50 0 CEAARM Cc1nc(C)c(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])o1 ZINC000120184163 414783989 /nfs/dbraw/zinc/78/39/89/414783989.db2.gz IDNPTKVAUQHWSH-GHMZBOCLSA-N -1 0 280.324 2.055 50 0 CEAARM Cc1occc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043583474 175070330 /nfs/dbraw/zinc/07/03/30/175070330.db2.gz BTXVOYKCEBHQSE-NSHDSACASA-N -1 0 265.309 2.305 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1C ZINC000043583881 175070483 /nfs/dbraw/zinc/07/04/83/175070483.db2.gz ODIFVTRCSODTIL-GFCCVEGCSA-N -1 0 278.352 2.051 50 0 CEAARM O=C([O-])c1cccnc1Oc1ccc2nonc2c1 ZINC000044126711 175144027 /nfs/dbraw/zinc/14/40/27/175144027.db2.gz PHWWRHJCMXOENH-UHFFFAOYSA-N -1 0 257.205 2.108 50 0 CEAARM O=C([O-])CNc1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000055414023 175578617 /nfs/dbraw/zinc/57/86/17/175578617.db2.gz UYLYYJPVCLHDSX-MISXGVKJSA-N -1 0 288.347 2.102 50 0 CEAARM COc1cc(Cl)c(C)cc1-n1nnc(C(=O)[O-])c1C ZINC000062265732 175666995 /nfs/dbraw/zinc/66/69/95/175666995.db2.gz JKOOLEPNCMTAIV-UHFFFAOYSA-N -1 0 281.699 2.244 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCOc2ccccc2)C1 ZINC000062913442 175677372 /nfs/dbraw/zinc/67/73/72/175677372.db2.gz UXVHQLVHBHGUJI-MRXNPFEDSA-N -1 0 291.347 2.169 50 0 CEAARM CC(C)(C)c1nnc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071283527 176109092 /nfs/dbraw/zinc/10/90/92/176109092.db2.gz ZOGCLFCFNRCXAN-RQJHMYQMSA-N -1 0 297.380 2.131 50 0 CEAARM CC(C)(C)c1nnc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071283524 176109485 /nfs/dbraw/zinc/10/94/85/176109485.db2.gz ZOGCLFCFNRCXAN-NKWVEPMBSA-N -1 0 297.380 2.131 50 0 CEAARM COc1ccc(OC)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000071405218 176155508 /nfs/dbraw/zinc/15/55/08/176155508.db2.gz NTWCCHSJAICNFA-UWVGGRQHSA-N -1 0 293.319 2.143 50 0 CEAARM C[C@@H](CN(C(=O)c1cccs1)C1CC1)C(=O)[O-] ZINC000071730860 176256041 /nfs/dbraw/zinc/25/60/41/176256041.db2.gz CAJPYTJIHOMQJP-QMMMGPOBSA-N -1 0 253.323 2.073 50 0 CEAARM O=C([O-])CCn1ncc2cc(Br)ccc21 ZINC000072206760 176342737 /nfs/dbraw/zinc/34/27/37/176342737.db2.gz DDLCSHXKUSBLAK-UHFFFAOYSA-N -1 0 269.098 2.274 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC=CCC1 ZINC000019519463 262187444 /nfs/dbraw/zinc/18/74/44/262187444.db2.gz BCFFRPCZMWPFPV-SWLSCSKDSA-N -1 0 285.343 2.381 50 0 CEAARM CC(=O)c1c([O-])cc(C)n(-c2ccc(F)cc2)c1=O ZINC000004425855 277102776 /nfs/dbraw/zinc/10/27/76/277102776.db2.gz FYQMEFAWDKZUJM-UHFFFAOYSA-N -1 0 261.252 2.193 50 0 CEAARM CC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2C1(C)C ZINC000000846554 278075154 /nfs/dbraw/zinc/07/51/54/278075154.db2.gz JOMSVTQPEFGELV-CYBMUJFWSA-N -1 0 286.331 2.261 50 0 CEAARM CC(C)(C)NC(=O)CN1CCCc2c(C(=O)[O-])cccc21 ZINC000037595802 278358242 /nfs/dbraw/zinc/35/82/42/278358242.db2.gz AEVMGAZNSHNPRP-UHFFFAOYSA-N -1 0 290.363 2.052 50 0 CEAARM CC(C)C[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000236644832 279039167 /nfs/dbraw/zinc/03/91/67/279039167.db2.gz RHZHREDRSPASOY-CQSZACIVSA-N -1 0 291.347 2.272 50 0 CEAARM CN1c2ccc(C(=O)[O-])cc2-c2ccccc2S1(=O)=O ZINC000242581722 290318583 /nfs/dbraw/zinc/31/85/83/290318583.db2.gz OCQOTMGZPKWLNU-UHFFFAOYSA-N -1 0 289.312 2.190 50 0 CEAARM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1(C)C ZINC000237270456 294857777 /nfs/dbraw/zinc/85/77/77/294857777.db2.gz JVQJXLKTSUDUSG-XHDPSFHLSA-N -1 0 295.335 2.253 50 0 CEAARM COc1cccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)c1 ZINC000045922789 295330941 /nfs/dbraw/zinc/33/09/41/295330941.db2.gz CYPZKFULBAXMBS-OCCSQVGLSA-N -1 0 277.320 2.078 50 0 CEAARM C[C@H]1C[C@H](C(=O)NC2(C(=O)[O-])CCCCCC2)CCO1 ZINC000262752269 300467012 /nfs/dbraw/zinc/46/70/12/300467012.db2.gz JLCAZNLFHBMSQS-NWDGAFQWSA-N -1 0 283.368 2.095 50 0 CEAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@H]1C(=O)[O-] ZINC000095512207 301015896 /nfs/dbraw/zinc/01/58/96/301015896.db2.gz XIBOIDUPOUQQED-LBPRGKRZSA-N -1 0 286.331 2.392 50 0 CEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000252364466 301523520 /nfs/dbraw/zinc/52/35/20/301523520.db2.gz JJGDUCOTVAHZIE-BNOWGMLFSA-N -1 0 288.347 2.248 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001662550 301697928 /nfs/dbraw/zinc/69/79/28/301697928.db2.gz RFXBNKGBGHNQJL-UHFFFAOYSA-N -1 0 254.336 2.252 50 0 CEAARM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)ccc1F ZINC000195551886 321820741 /nfs/dbraw/zinc/82/07/41/321820741.db2.gz KTDFCUOHBSQBRL-SNVBAGLBSA-N -1 0 279.311 2.459 50 0 CEAARM N#Cc1ccc(C[C@@H](C(=O)[O-])c2cccnc2)cc1 ZINC000043214640 328754152 /nfs/dbraw/zinc/75/41/52/328754152.db2.gz AGQHIPCGOWDNND-CQSZACIVSA-N -1 0 252.273 2.364 50 0 CEAARM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000055391302 524128391 /nfs/dbraw/zinc/12/83/91/524128391.db2.gz FLHWPXCUWSCLNZ-MFKMUULPSA-N -1 0 276.336 2.431 50 0 CEAARM CCC[C@](C)(NC(=O)CCc1ccc(C)o1)C(=O)[O-] ZINC000096479974 528465510 /nfs/dbraw/zinc/46/55/10/528465510.db2.gz STCCOFBFSNENPW-AWEZNQCLSA-N -1 0 267.325 2.280 50 0 CEAARM CCC(CC)(CNC(=O)c1ccoc1C)C(=O)[O-] ZINC000096483426 528690118 /nfs/dbraw/zinc/69/01/18/528690118.db2.gz IYXWCLKSDKUWSC-UHFFFAOYSA-N -1 0 253.298 2.209 50 0 CEAARM CC(C)[C@H](NC(=O)c1cnc(-c2ccoc2)s1)C(=O)[O-] ZINC000097017533 529116616 /nfs/dbraw/zinc/11/66/16/529116616.db2.gz WPVIMRDURVWMPQ-JTQLQIEISA-N -1 0 294.332 2.242 50 0 CEAARM CC(C)Oc1ccccc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262887583 535052974 /nfs/dbraw/zinc/05/29/74/535052974.db2.gz MWVMJXOXFBBJCK-SNVBAGLBSA-N -1 0 265.309 2.019 50 0 CEAARM O=C([O-])[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000116932208 624625012 /nfs/dbraw/zinc/62/50/12/624625012.db2.gz BLQLDUGKXMFTKB-ZETCQYMHSA-N -1 0 265.490 2.221 50 0 CEAARM C[C@H](NC(=O)c1cc(=O)[nH][n-]1)c1ccc2c(c1)CCCC2 ZINC000071767825 641808508 /nfs/dbraw/zinc/80/85/08/641808508.db2.gz NUQOKBVOVWUWNO-JTQLQIEISA-N -1 0 285.347 2.485 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])Cc1c(C)nsc1C ZINC000864097368 646900161 /nfs/dbraw/zinc/90/01/61/646900161.db2.gz UPPUTYJJWNDWTC-MRVPVSSYSA-N -1 0 256.371 2.445 50 0 CEAARM CC(C)c1noc(=N[C@H]2CCc3ccccc3OC2)[n-]1 ZINC000337821458 804741525 /nfs/dbraw/zinc/74/15/25/804741525.db2.gz QYBDYLUNMBDMBG-LBPRGKRZSA-N -1 0 273.336 2.421 50 0 CEAARM CN(C)C(=O)c1cccnc1-c1ccc(C(=O)[O-])s1 ZINC000032553353 807406735 /nfs/dbraw/zinc/40/67/35/807406735.db2.gz FPCBOXYSXKDEEW-UHFFFAOYSA-N -1 0 276.317 2.210 50 0 CEAARM Cc1cccc2c(CCNC(=O)CCCC(=O)[O-])c[nH]c21 ZINC000585090017 813672070 /nfs/dbraw/zinc/67/20/70/813672070.db2.gz PIDHGDWXSHWXSS-UHFFFAOYSA-N -1 0 288.347 2.390 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)no1 ZINC000096448160 230375163 /nfs/dbraw/zinc/37/51/63/230375163.db2.gz FBCKBXZSZYNYFC-UHFFFAOYSA-N -1 0 298.368 2.178 50 0 CEAARM COc1ccc2oc(C(=O)NC(C)(C)C(=O)[O-])c(C)c2c1 ZINC000095956918 185042839 /nfs/dbraw/zinc/04/28/39/185042839.db2.gz GWASMTUJWHHOKW-UHFFFAOYSA-N -1 0 291.303 2.343 50 0 CEAARM CC(C)c1ccsc1C(=O)N(C)CCC(=O)[O-] ZINC000095970537 185048505 /nfs/dbraw/zinc/04/85/05/185048505.db2.gz XFSFHPAKNKANHH-UHFFFAOYSA-N -1 0 255.339 2.418 50 0 CEAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccn1C)c1ccccc1 ZINC000095970294 185048808 /nfs/dbraw/zinc/04/88/08/185048808.db2.gz VSVWPNHIYLTDOV-SMDDNHRTSA-N -1 0 286.331 2.217 50 0 CEAARM Cc1nc(C)c(CNC(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000095976719 185050945 /nfs/dbraw/zinc/05/09/45/185050945.db2.gz QZLQRFMZYTXZGN-UHFFFAOYSA-N -1 0 290.344 2.388 50 0 CEAARM CCC[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(F)c1 ZINC000095976333 185050966 /nfs/dbraw/zinc/05/09/66/185050966.db2.gz MRIIPZPQEBANNV-LBPRGKRZSA-N -1 0 267.300 2.128 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000096793839 185114597 /nfs/dbraw/zinc/11/45/97/185114597.db2.gz PCQZCPOFOJQVQA-ZHRWSRJISA-N -1 0 277.295 2.162 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000037588159 361906962 /nfs/dbraw/zinc/90/69/62/361906962.db2.gz OKHWIZZHUHPPJO-RTXFEEFZSA-N -1 0 261.321 2.365 50 0 CEAARM O=C([O-])c1ccn(-c2cccc(NC(=O)C3CC=CC3)c2)n1 ZINC000097018569 185152767 /nfs/dbraw/zinc/15/27/67/185152767.db2.gz PQSSZDRNRRTFNW-UHFFFAOYSA-N -1 0 297.314 2.475 50 0 CEAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000097032925 185155748 /nfs/dbraw/zinc/15/57/48/185155748.db2.gz ZIMXFYABNLYVIL-LLVKDONJSA-N -1 0 253.342 2.136 50 0 CEAARM Cc1cscc1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000097035466 185166228 /nfs/dbraw/zinc/16/62/28/185166228.db2.gz UBOXPOOHHGGHHA-UHFFFAOYSA-N -1 0 267.350 2.383 50 0 CEAARM CCc1cc(C)c(C(=O)N(CC(=O)[O-])CC2CC2)o1 ZINC000097035478 185166417 /nfs/dbraw/zinc/16/64/17/185166417.db2.gz WPCCRNRDMVIUKE-UHFFFAOYSA-N -1 0 265.309 2.087 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000097035654 185166501 /nfs/dbraw/zinc/16/65/01/185166501.db2.gz HRAUHAAFWXFMOQ-MFKMUULPSA-N -1 0 293.367 2.227 50 0 CEAARM CCc1cc(C)c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)o1 ZINC000096494270 529524841 /nfs/dbraw/zinc/52/48/41/529524841.db2.gz KXPFYJVVHIMLCY-AWEZNQCLSA-N -1 0 265.309 2.134 50 0 CEAARM CC(=O)N(CC(C)C)c1nc(C)c(C(=O)[O-])s1 ZINC000041127929 362021390 /nfs/dbraw/zinc/02/13/90/362021390.db2.gz WZJWCXSVVWHAHP-UHFFFAOYSA-N -1 0 256.327 2.159 50 0 CEAARM C[C@H](CN(C)C(=O)c1ccccc1OC(F)F)C(=O)[O-] ZINC000042694701 362109660 /nfs/dbraw/zinc/10/96/60/362109660.db2.gz VDSCHQMGXUXMDZ-MRVPVSSYSA-N -1 0 287.262 2.081 50 0 CEAARM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1c(C)noc1C ZINC000126868266 187266383 /nfs/dbraw/zinc/26/63/83/187266383.db2.gz LXPKFXZGQZPMII-UHFFFAOYSA-N -1 0 297.336 2.266 50 0 CEAARM Cc1nonc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000137267406 344387336 /nfs/dbraw/zinc/38/73/36/344387336.db2.gz DSJARNHNQBTXAM-UHFFFAOYSA-N -1 0 291.332 2.107 50 0 CEAARM [O-]c1ccc(I)nc1C(F)(F)F ZINC000238719401 344608054 /nfs/dbraw/zinc/60/80/54/344608054.db2.gz XSIFEMBTJKHSSC-UHFFFAOYSA-N -1 0 288.994 2.411 50 0 CEAARM CCn1cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000669435185 539447362 /nfs/dbraw/zinc/44/73/62/539447362.db2.gz XNIPWNOQHXOCAO-CYBMUJFWSA-N -1 0 299.330 2.122 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000062117422 362708258 /nfs/dbraw/zinc/70/82/58/362708258.db2.gz DEGBEZAWFRGULQ-SSDOTTSWSA-N -1 0 271.675 2.026 50 0 CEAARM Cc1ccccc1OCCCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062118566 362709073 /nfs/dbraw/zinc/70/90/73/362709073.db2.gz LDYOWDKPDHYNDU-CYBMUJFWSA-N -1 0 291.347 2.087 50 0 CEAARM Cc1ccc(OCCC(=O)N2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000062117819 362709590 /nfs/dbraw/zinc/70/95/90/362709590.db2.gz QJJPJNBYUCUCLU-ZDUSSCGKSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])C1CCN(c2ccc(-c3ccco3)nn2)CC1 ZINC000061966023 362700162 /nfs/dbraw/zinc/70/01/62/362700162.db2.gz RAEHRSWDRPKSJO-UHFFFAOYSA-N -1 0 273.292 2.038 50 0 CEAARM O=C([O-])[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000061966021 362700787 /nfs/dbraw/zinc/70/07/87/362700787.db2.gz CGGXAXASTGZYEU-SNVBAGLBSA-N -1 0 273.292 2.038 50 0 CEAARM COc1ccc(CCCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000062457827 362719434 /nfs/dbraw/zinc/71/94/34/362719434.db2.gz ASDDEZDZLXFMHQ-CQSZACIVSA-N -1 0 291.347 2.094 50 0 CEAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000062702235 362721144 /nfs/dbraw/zinc/72/11/44/362721144.db2.gz WUWOUZOTTGCOPK-CMPLNLGQSA-N -1 0 267.712 2.334 50 0 CEAARM CC[C@@H](OC1CCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000128569624 187377877 /nfs/dbraw/zinc/37/78/77/187377877.db2.gz RHZFXNKLORYHAK-TZMCWYRMSA-N -1 0 297.395 2.438 50 0 CEAARM CO[N-]C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000066607404 362876933 /nfs/dbraw/zinc/87/69/33/362876933.db2.gz VZTKKTORJVHWCE-UHFFFAOYSA-N -1 0 259.227 2.415 50 0 CEAARM C[C@@H](Oc1ccccc1-c1ccc(C(=O)[O-])s1)C(N)=O ZINC000067650486 362914953 /nfs/dbraw/zinc/91/49/53/362914953.db2.gz JRGIRCUUTNBLJD-MRVPVSSYSA-N -1 0 291.328 2.366 50 0 CEAARM C[C@@H](C(=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000003308325 295802449 /nfs/dbraw/zinc/80/24/49/295802449.db2.gz IEODYFJEEGJUQB-BYPYZUCNSA-N -1 0 288.086 2.063 50 0 CEAARM O=C([O-])[C@H](NC(=O)c1ccncc1Cl)c1ccccc1 ZINC000091449108 180157654 /nfs/dbraw/zinc/15/76/54/180157654.db2.gz PALDSMNJJGTTEJ-GFCCVEGCSA-N -1 0 290.706 2.291 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)Cc1c[nH]c2ccccc12 ZINC000070311291 363070142 /nfs/dbraw/zinc/07/01/42/363070142.db2.gz LQDQGCYADAOLJX-JTQLQIEISA-N -1 0 274.320 2.080 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCOC2)cc1 ZINC000630328045 351697771 /nfs/dbraw/zinc/69/77/71/351697771.db2.gz FMWDSMLVGSBTRX-KWCYVHTRSA-N -1 0 289.331 2.240 50 0 CEAARM Cc1cc(C)c(CCNC(=O)C2(C(=O)[O-])CC2)c(C)c1 ZINC000154993912 188175567 /nfs/dbraw/zinc/17/55/67/188175567.db2.gz YNKVDXIJSIEIMI-UHFFFAOYSA-N -1 0 275.348 2.135 50 0 CEAARM Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000131975354 366107670 /nfs/dbraw/zinc/10/76/70/366107670.db2.gz QTRIXWYQYCRWLT-LLVKDONJSA-N -1 0 286.287 2.120 50 0 CEAARM Cc1c2ncnc(Nc3cccc(C(=O)[O-])c3)c2nn1C ZINC000074941309 363425131 /nfs/dbraw/zinc/42/51/31/363425131.db2.gz NHQLPICXTCBHFP-UHFFFAOYSA-N -1 0 283.291 2.114 50 0 CEAARM O=C([O-])CCC1=C2c3ccccc3CCN2C(=O)CC1 ZINC000000875789 304045752 /nfs/dbraw/zinc/04/57/52/304045752.db2.gz RHIGLLWELPSXJJ-UHFFFAOYSA-N -1 0 271.316 2.441 50 0 CEAARM CC[C@@H](C(=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000096951924 540165694 /nfs/dbraw/zinc/16/56/94/540165694.db2.gz LPKVEVSNOKARTB-NXEZZACHSA-N -1 0 257.330 2.354 50 0 CEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C1CCCCC1 ZINC000071729650 304052323 /nfs/dbraw/zinc/05/23/23/304052323.db2.gz FGFXQIDKASHVIA-ZDUSSCGKSA-N -1 0 283.368 2.049 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1F)C1CC1 ZINC000238081626 304065497 /nfs/dbraw/zinc/06/54/97/304065497.db2.gz BTFCQIXLUKHFHP-ZJUUUORDSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])CSCNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000003900384 304072845 /nfs/dbraw/zinc/07/28/45/304072845.db2.gz QVKYMGFMOWPTGI-UHFFFAOYSA-N -1 0 297.420 2.484 50 0 CEAARM C[C@@H](NC(=O)N(C/C=C/c1ccccc1)C1CC1)C(=O)[O-] ZINC000670455116 540418154 /nfs/dbraw/zinc/41/81/54/540418154.db2.gz VBJLZBXTOMFEAD-FZKGZDJFSA-N -1 0 288.347 2.347 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1cccc(F)c1F ZINC000136492324 366515256 /nfs/dbraw/zinc/51/52/56/366515256.db2.gz HWDQPXVBHVOHEY-LBPRGKRZSA-N -1 0 297.301 2.363 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccs1 ZINC000136128554 366497415 /nfs/dbraw/zinc/49/74/15/366497415.db2.gz MQTLSQIVDZRGHZ-ZJUUUORDSA-N -1 0 267.350 2.175 50 0 CEAARM CN(C/C=C/c1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000670467088 540424565 /nfs/dbraw/zinc/42/45/65/540424565.db2.gz OBKQNKRADVVAKG-GPAKFWEMSA-N -1 0 288.347 2.204 50 0 CEAARM O=C([O-])Cn1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000000381943 304091504 /nfs/dbraw/zinc/09/15/04/304091504.db2.gz YDUAIHQZTBBMED-UHFFFAOYSA-N -1 0 278.267 2.332 50 0 CEAARM Cc1ccc2cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c2n1 ZINC000178158666 189094102 /nfs/dbraw/zinc/09/41/02/189094102.db2.gz KPABLXDRHUOSKT-CYBMUJFWSA-N -1 0 286.331 2.382 50 0 CEAARM CS[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000178257801 189100705 /nfs/dbraw/zinc/10/07/05/189100705.db2.gz UXLYGIHHRBVPHY-RYUDHWBXSA-N -1 0 279.361 2.024 50 0 CEAARM O=C([O-])c1ccccc1OC(=O)c1ccccc1O ZINC000000002062 361116526 /nfs/dbraw/zinc/11/65/26/361116526.db2.gz WVYADZUPLLSGPU-UHFFFAOYSA-N -1 0 258.229 2.310 50 0 world CEAARM O=C([O-])c1cccnc1Oc1ccc2c(c1)OCO2 ZINC000000128994 361132860 /nfs/dbraw/zinc/13/28/60/361132860.db2.gz HXXHQOGRXQVZCN-UHFFFAOYSA-N -1 0 259.217 2.301 50 0 CEAARM C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000000329730 361161211 /nfs/dbraw/zinc/16/12/11/361161211.db2.gz QGOLQRHBIUSBRQ-GFCCVEGCSA-N -1 0 283.327 2.408 50 0 CEAARM O=C([O-])CNC(=S)N(Cc1cccs1)C1CCCC1 ZINC000000259104 361153440 /nfs/dbraw/zinc/15/34/40/361153440.db2.gz HLORTXJRSBKZBZ-UHFFFAOYSA-N -1 0 298.433 2.452 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1F ZINC000000307503 361159476 /nfs/dbraw/zinc/15/94/76/361159476.db2.gz VSLMIPZSIZTSNG-VHSXEESVSA-N -1 0 263.268 2.431 50 0 CEAARM O=C(N=C([O-])C(F)(F)F)Nc1ccccc1OC(F)F ZINC000000045405 361121525 /nfs/dbraw/zinc/12/15/25/361121525.db2.gz UYLVXXQCYBKKGO-UHFFFAOYSA-N -1 0 298.167 2.498 50 0 CEAARM O=C(N=C([O-])Nc1ccc(F)cc1F)C(F)(F)F ZINC000000081875 361125424 /nfs/dbraw/zinc/12/54/24/361125424.db2.gz QYKRBQCPIQXGSE-UHFFFAOYSA-N -1 0 268.141 2.175 50 0 CEAARM O=C([O-])CCNC(=S)Nc1ccc(Cl)cc1 ZINC000000089615 361127030 /nfs/dbraw/zinc/12/70/30/361127030.db2.gz RIIKGQQQCKYJBI-UHFFFAOYSA-N -1 0 258.730 2.101 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000000378533 361167312 /nfs/dbraw/zinc/16/73/12/361167312.db2.gz SETQQTBFNOXQDC-UHFFFAOYSA-N -1 0 262.309 2.090 50 0 CEAARM Cc1nc(NCc2ccccc2)[n-]c(=O)c1Br ZINC000000463055 361178005 /nfs/dbraw/zinc/17/80/05/361178005.db2.gz ZGSAKBBTWDNJTL-UHFFFAOYSA-N -1 0 294.152 2.453 50 0 CEAARM COc1ccccc1CC(=O)c1c(O)cc(O)cc1O ZINC000000487572 361180547 /nfs/dbraw/zinc/18/05/47/361180547.db2.gz JXHCBDZUPWMLDA-UHFFFAOYSA-N -1 0 274.272 2.237 50 0 CEAARM O=[N+]([O-])/C=C/c1ccc([O-])c(I)c1 ZINC000000558938 361187140 /nfs/dbraw/zinc/18/71/40/361187140.db2.gz GOOHVRDKKATBFF-ONEGZZNKSA-N -1 0 291.044 2.244 50 0 CEAARM O=S(=O)(C=C([O-])c1ccc(F)cc1)c1ccccc1 ZINC000001396918 361203313 /nfs/dbraw/zinc/20/33/13/361203313.db2.gz FCXNRTNBPQUTBL-UHFFFAOYSA-N -1 0 278.304 2.482 50 0 in-vivo CEAARM O=C(NC1CCCCC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000000346574 361164070 /nfs/dbraw/zinc/16/40/70/361164070.db2.gz MZELJDKERIRFIU-UHFFFAOYSA-N -1 0 286.331 2.296 50 0 CEAARM CCOC(=O)c1cc(C)sc1NC(=O)CCC(=O)[O-] ZINC000000355468 361165379 /nfs/dbraw/zinc/16/53/79/361165379.db2.gz GVDPQPOUNNCBEI-UHFFFAOYSA-N -1 0 285.321 2.037 50 0 CEAARM O=C([O-])CSCc1cc2cccc3c2n(c1=O)CCC3 ZINC000001741328 361220967 /nfs/dbraw/zinc/22/09/67/361220967.db2.gz FGSOBJDQRIXEMM-UHFFFAOYSA-N -1 0 289.356 2.266 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 ZINC000001845206 361224005 /nfs/dbraw/zinc/22/40/05/361224005.db2.gz PKOVGZQJPDDEJO-INIZCTEOSA-N -1 0 297.354 2.431 50 0 CEAARM COc1ccc(C(=O)NCCCCCC(=O)[O-])cc1OC ZINC000002281458 361231993 /nfs/dbraw/zinc/23/19/93/361231993.db2.gz YLTAUAUEZVIMJB-UHFFFAOYSA-N -1 0 295.335 2.079 50 0 CEAARM CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002386105 361234471 /nfs/dbraw/zinc/23/44/71/361234471.db2.gz JZBKYJZIWJSOPA-MRVPVSSYSA-N -1 0 263.359 2.108 50 0 CEAARM Cc1cccc(-c2ccnc3c(C(=O)[O-])cnn32)c1 ZINC000002785013 361251548 /nfs/dbraw/zinc/25/15/48/361251548.db2.gz WTNAZYNGDMYJOK-UHFFFAOYSA-N -1 0 253.261 2.403 50 0 CEAARM CCN1CCc2nc3ccccc3c(C(=O)[O-])c2C1 ZINC000003529933 361284326 /nfs/dbraw/zinc/28/43/26/361284326.db2.gz SJUVKSDEXHEPSA-UHFFFAOYSA-N -1 0 256.305 2.311 50 0 CEAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-] ZINC000002811240 361254015 /nfs/dbraw/zinc/25/40/15/361254015.db2.gz GXAYSHPZKIBHGY-QMMMGPOBSA-N -1 0 274.272 2.134 50 0 CEAARM COc1ccc(Oc2c3cnn(C)c3ncc2C(=O)[O-])cc1 ZINC000004014767 361295786 /nfs/dbraw/zinc/29/57/86/361295786.db2.gz RFEGFXKPUSHEIU-UHFFFAOYSA-N -1 0 299.286 2.467 50 0 CEAARM Cc1ccn([C@@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])n1 ZINC000004125019 361301581 /nfs/dbraw/zinc/30/15/81/361301581.db2.gz JXSHVOIQYIVGET-ZDUSSCGKSA-N -1 0 272.304 2.399 50 0 CEAARM COc1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000004671136 361325936 /nfs/dbraw/zinc/32/59/36/361325936.db2.gz CKEQUSSZIJLMCT-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000237043472 370683881 /nfs/dbraw/zinc/68/38/81/370683881.db2.gz DHSGQLQICDGXKW-ZIAGYGMSSA-N -1 0 275.348 2.422 50 0 CEAARM O=C([O-])CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000011891668 361368723 /nfs/dbraw/zinc/36/87/23/361368723.db2.gz PXDUKUMEEJVPIQ-UHFFFAOYSA-N -1 0 262.092 2.198 50 0 CEAARM Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000012505289 361386439 /nfs/dbraw/zinc/38/64/39/361386439.db2.gz YLOIVAYOFFVRTA-CYBMUJFWSA-N -1 0 278.352 2.294 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc2cnccc21 ZINC000262681997 304104605 /nfs/dbraw/zinc/10/46/05/304104605.db2.gz SWFVPSHXZMIBHW-AWEZNQCLSA-N -1 0 284.315 2.314 50 0 CEAARM Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)[O-] ZINC000013348670 361426477 /nfs/dbraw/zinc/42/64/77/361426477.db2.gz IULHJCPIDUOTJP-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM CCn1ncc2cc(C(=O)c3ccccc3[O-])cnc21 ZINC000014165406 361449742 /nfs/dbraw/zinc/44/97/42/361449742.db2.gz CTNJKLHRLDFWBY-UHFFFAOYSA-N -1 0 267.288 2.388 50 0 CEAARM C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013076664 361417627 /nfs/dbraw/zinc/41/76/27/361417627.db2.gz DMDJJBMZAMTALJ-GXFFZTMASA-N -1 0 297.376 2.242 50 0 CEAARM CCC[C@@](C)(NC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000095393076 283695113 /nfs/dbraw/zinc/69/51/13/283695113.db2.gz CJTPTEVQONGDAZ-BLLLJJGKSA-N -1 0 291.347 2.312 50 0 CEAARM Cc1ccsc1CNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000028901154 361678565 /nfs/dbraw/zinc/67/85/65/361678565.db2.gz JQZJQDSTRPJYBA-GHMZBOCLSA-N -1 0 279.361 2.340 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000088730998 363916368 /nfs/dbraw/zinc/91/63/68/363916368.db2.gz HHTRTBLBKJWWNS-UHFFFAOYSA-N -1 0 272.304 2.105 50 0 CEAARM C[C@H](CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C)C(=O)[O-] ZINC000237540876 370731209 /nfs/dbraw/zinc/73/12/09/370731209.db2.gz CSHNCKSVJZFMKB-SCRDCRAPSA-N -1 0 275.348 2.392 50 0 CEAARM COc1cccc([C@H](C)CC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000237322758 370710446 /nfs/dbraw/zinc/71/04/46/370710446.db2.gz XKDAFOSPVQHIIP-BXUZGUMPSA-N -1 0 291.347 2.264 50 0 CEAARM Cc1ccccc1CC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237444285 370721388 /nfs/dbraw/zinc/72/13/88/370721388.db2.gz DDPCZROQSRHULC-LBPRGKRZSA-N -1 0 275.348 2.249 50 0 CEAARM C[C@H]1C[C@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237639085 370741484 /nfs/dbraw/zinc/74/14/84/370741484.db2.gz UIULGSVFZNOMMG-SMDDNHRTSA-N -1 0 291.347 2.202 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C1CC1 ZINC000238081342 370769666 /nfs/dbraw/zinc/76/96/66/370769666.db2.gz PVUASBIFPPPTDN-MNOVXSKESA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H]1CCCCO1 ZINC000095031183 364324712 /nfs/dbraw/zinc/32/47/12/364324712.db2.gz WRUNAZCBEWUKRO-STQMWFEESA-N -1 0 283.368 2.192 50 0 CEAARM COc1ccc(F)c([C@H](C(=O)[O-])N(C)Cc2ccon2)c1 ZINC000095392030 364356215 /nfs/dbraw/zinc/35/62/15/364356215.db2.gz TXVREJZAFBFQMT-CYBMUJFWSA-N -1 0 294.282 2.080 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2C)c(C)o1 ZINC000095463659 364386541 /nfs/dbraw/zinc/38/65/41/364386541.db2.gz MKXWPMJXVFKZTN-UHFFFAOYSA-N -1 0 269.326 2.037 50 0 CEAARM CC[C@@H](Nc1ncncc1C(=O)[O-])c1ccccn1 ZINC000095359753 364345322 /nfs/dbraw/zinc/34/53/22/364345322.db2.gz GTAVIZZOQAUYDX-SNVBAGLBSA-N -1 0 258.281 2.133 50 0 CEAARM CCS(=O)(=O)[N-]c1nc(C)c(-c2ccccc2)s1 ZINC000097098397 364449677 /nfs/dbraw/zinc/44/96/77/364449677.db2.gz UGDNSGYAWFZNCF-UHFFFAOYSA-N -1 0 282.390 2.302 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cscn1)c1ccccc1 ZINC000097018343 364427484 /nfs/dbraw/zinc/42/74/84/364427484.db2.gz ZRTLTYDYMKAYDH-SKDRFNHKSA-N -1 0 290.344 2.335 50 0 CEAARM C[C@H](CN(C(=O)/C=C/C(C)(C)C)C1CC1)C(=O)[O-] ZINC000097039234 364428572 /nfs/dbraw/zinc/42/85/72/364428572.db2.gz MXGOUPVLZQQGEG-QROSGCPLSA-N -1 0 253.342 2.300 50 0 CEAARM CC(C)c1nc(C(=O)N[C@H](C)CCC(=O)[O-])cs1 ZINC000097039207 364429126 /nfs/dbraw/zinc/42/91/26/364429126.db2.gz RRNCRDVKCAWWON-MRVPVSSYSA-N -1 0 270.354 2.250 50 0 CEAARM Cc1cc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])n2)no1 ZINC000097758022 364518794 /nfs/dbraw/zinc/51/87/94/364518794.db2.gz OQASEDWOJPTISU-AWEZNQCLSA-N -1 0 287.319 2.413 50 0 CEAARM O=c1c2c(nc3[n-]c(SCc4ccccc4)nn31)CCC2 ZINC000100125787 364540349 /nfs/dbraw/zinc/54/03/49/364540349.db2.gz IKCUGOUCQZECPJ-UHFFFAOYSA-N -1 0 298.371 2.199 50 0 CEAARM CCc1ccccc1NCc1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101582288 364564517 /nfs/dbraw/zinc/56/45/17/364564517.db2.gz BDCJDHFVXWIEBQ-UHFFFAOYSA-N -1 0 297.362 2.209 50 0 CEAARM CCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)[O-])c1 ZINC000100489534 364546571 /nfs/dbraw/zinc/54/65/71/364546571.db2.gz RKAIQZFHMHMAEQ-UHFFFAOYSA-N -1 0 297.314 2.247 50 0 CEAARM CC[C@H]1C=CCN1C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000097642093 364513919 /nfs/dbraw/zinc/51/39/19/364513919.db2.gz SWYHIRLMGZLSPP-LBPRGKRZSA-N -1 0 275.304 2.184 50 0 CEAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000335212099 364630635 /nfs/dbraw/zinc/63/06/35/364630635.db2.gz QQMJQIZXEVQEPD-UFBFGSQYSA-N -1 0 283.274 2.144 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000062119148 304121975 /nfs/dbraw/zinc/12/19/75/304121975.db2.gz GRDBABNIQHUZAN-TZMCWYRMSA-N -1 0 273.332 2.040 50 0 CEAARM CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000170066934 367375576 /nfs/dbraw/zinc/37/55/76/367375576.db2.gz 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/nfs/dbraw/zinc/22/91/38/370229138.db2.gz HOFQFKFGXZVDHK-LBPRGKRZSA-N -1 0 279.336 2.084 50 0 CEAARM Cc1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1 ZINC000226895545 370352944 /nfs/dbraw/zinc/35/29/44/370352944.db2.gz BBOCNQLSCWDIGC-USWWRNFRSA-N -1 0 294.376 2.309 50 0 CEAARM C[C@@H]1CC[C@@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)O1 ZINC000247207357 371077438 /nfs/dbraw/zinc/07/74/38/371077438.db2.gz WRUDHGDTKHMBHS-BNOWGMLFSA-N -1 0 291.347 2.276 50 0 CEAARM C[C@@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC000000187681 296166789 /nfs/dbraw/zinc/16/67/89/296166789.db2.gz RJJYVENWLDQYPA-SSDOTTSWSA-N -1 0 257.249 2.261 50 0 CEAARM COc1n[n-]c(=NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)s1 ZINC000331740380 204110697 /nfs/dbraw/zinc/11/06/97/204110697.db2.gz WYCRPLBLFBUWQA-UTLUCORTSA-N -1 0 296.396 2.154 50 0 CEAARM C[C@H](C(=O)N[C@H]1CCC[C@H]1C(=O)[O-])c1cccs1 ZINC000252477183 371441437 /nfs/dbraw/zinc/44/14/37/371441437.db2.gz JTJPSRQEKXHISM-AEJSXWLSSA-N -1 0 267.350 2.221 50 0 CEAARM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(O)c1 ZINC000262794004 371910528 /nfs/dbraw/zinc/91/05/28/371910528.db2.gz LHBZRKACMXJSSL-MJVIPROJSA-N -1 0 289.331 2.026 50 0 CEAARM CCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC000268933159 372292005 /nfs/dbraw/zinc/29/20/05/372292005.db2.gz ZIOYJFAHVRIYTH-WOPDTQHZSA-N -1 0 277.320 2.226 50 0 CEAARM Cc1nc2c(s1)[C@H](N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-])CCC2 ZINC000268885718 372270956 /nfs/dbraw/zinc/27/09/56/372270956.db2.gz GBUBDPPKJOFEPP-IQJOONFLSA-N -1 0 294.376 2.008 50 0 CEAARM Cc1cccc([C@H](NC(=O)C2CC=CC2)C(=O)[O-])c1 ZINC000252495580 189977669 /nfs/dbraw/zinc/97/76/69/189977669.db2.gz OTWKJJMPQMMAMW-ZDUSSCGKSA-N -1 0 259.305 2.203 50 0 CEAARM Cc1ccc(S(=O)(=O)C2(C(=O)[O-])CCCC2)cc1C ZINC000000236837 169582529 /nfs/dbraw/zinc/58/25/29/169582529.db2.gz OLJLBERQLGMFSY-UHFFFAOYSA-N -1 0 282.361 2.475 50 0 aggregator CEAARM O=C([O-])c1ccccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000002708019 304270578 /nfs/dbraw/zinc/27/05/78/304270578.db2.gz SLZCSXIGWLYTGG-CQSZACIVSA-N -1 0 299.282 2.163 50 0 CEAARM O=C([O-])c1cnc2cc(Br)ccc2c1O ZINC000002583924 304279268 /nfs/dbraw/zinc/27/92/68/304279268.db2.gz SKEXUXOCAHNLRH-UHFFFAOYSA-N -1 0 268.066 2.401 50 0 CEAARM COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000001385874 169698314 /nfs/dbraw/zinc/69/83/14/169698314.db2.gz SSGSEPUHFILJJS-HNNXBMFYSA-N -1 0 299.326 2.121 50 0 CEAARM O=C([O-])c1nc(Cc2ccc(Br)cc2)no1 ZINC000040447951 304283053 /nfs/dbraw/zinc/28/30/53/304283053.db2.gz DQCYVEGDXFEMLT-UHFFFAOYSA-N -1 0 283.081 2.121 50 0 CEAARM Cc1ccc(N(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC000262096433 131190543 /nfs/dbraw/zinc/19/05/43/131190543.db2.gz IOXBDTPVXFDOJF-NXEZZACHSA-N -1 0 267.712 2.332 50 0 CEAARM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000262652454 131247197 /nfs/dbraw/zinc/24/71/97/131247197.db2.gz SEHGONIQTDFTIE-IHRRRGAJSA-N -1 0 273.332 2.379 50 0 CEAARM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000262652456 131247398 /nfs/dbraw/zinc/24/73/98/131247398.db2.gz SEHGONIQTDFTIE-MJBXVCDLSA-N -1 0 273.332 2.379 50 0 CEAARM COc1cc(NC(=O)[C@@]2(C)CCCOC2)ccc1C(=O)[O-] ZINC000262994775 131278610 /nfs/dbraw/zinc/27/86/10/131278610.db2.gz QQHGUFBBZBNXSY-HNNXBMFYSA-N -1 0 293.319 2.149 50 0 CEAARM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263469011 131294197 /nfs/dbraw/zinc/29/41/97/131294197.db2.gz ROAPOCRVJKBZAD-VFZGTOFNSA-N -1 0 294.351 2.251 50 0 CEAARM O=C([O-])[C@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 ZINC000061966019 134931309 /nfs/dbraw/zinc/93/13/09/134931309.db2.gz CGGXAXASTGZYEU-JTQLQIEISA-N -1 0 273.292 2.038 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccsc1 ZINC000095969494 394674320 /nfs/dbraw/zinc/67/43/20/394674320.db2.gz ZHIKBPRHBOSDTE-VHSXEESVSA-N -1 0 267.350 2.175 50 0 CEAARM CC(C)(C)c1ncsc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097039272 394699476 /nfs/dbraw/zinc/69/94/76/394699476.db2.gz XDEWLZDVPQUORN-RKDXNWHRSA-N -1 0 296.392 2.424 50 0 CEAARM CCO[N-]C(=O)[C@@H](C)Oc1cc(C)ccc1Cl ZINC000048342501 400194489 /nfs/dbraw/zinc/19/44/89/400194489.db2.gz AIEMUSZZJOHKJS-SECBINFHSA-N -1 0 257.717 2.483 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000213914711 400304588 /nfs/dbraw/zinc/30/45/88/400304588.db2.gz HTAWNLNBUOTGLY-XHPSBEMXSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(c3ccccc3F)CC2)C1 ZINC000263339874 154062647 /nfs/dbraw/zinc/06/26/47/154062647.db2.gz RQRKDQWSGYVRMX-WDEREUQCSA-N -1 0 291.322 2.432 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccoc2)c2ccccc21 ZINC000263553979 154125885 /nfs/dbraw/zinc/12/58/85/154125885.db2.gz XYGONQFGGAFHTP-CYBMUJFWSA-N -1 0 285.299 2.427 50 0 CEAARM C[C@@H](CN(C)c1nccc(Oc2ccccc2)n1)C(=O)[O-] ZINC000263551658 154126315 /nfs/dbraw/zinc/12/63/15/154126315.db2.gz LGNOGWZUYUVLDX-NSHDSACASA-N -1 0 287.319 2.426 50 0 CEAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1O ZINC000003195093 169867109 /nfs/dbraw/zinc/86/71/09/169867109.db2.gz OPVDRXWPJDGETH-UHFFFAOYSA-N -1 0 263.274 2.404 50 0 CEAARM Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000003913575 169924993 /nfs/dbraw/zinc/92/49/93/169924993.db2.gz VNPAVLDSIONFMU-UHFFFAOYSA-N -1 0 280.301 2.260 50 0 CEAARM COc1ccc(C(=O)[O-])cc1Cn1cc(Cl)cn1 ZINC000004235012 169946493 /nfs/dbraw/zinc/94/64/93/169946493.db2.gz ZXEXRYHAHMYZQW-UHFFFAOYSA-N -1 0 266.684 2.292 50 0 CEAARM O=C([O-])c1cccc(-c2nnn(Cc3ccc(F)cc3)n2)c1 ZINC000004778752 170016133 /nfs/dbraw/zinc/01/61/33/170016133.db2.gz YTNJWPGIYNVRFJ-UHFFFAOYSA-N -1 0 298.277 2.226 50 0 CEAARM COc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000004813568 170022001 /nfs/dbraw/zinc/02/20/01/170022001.db2.gz QHYOPQYLTZDLSG-UHFFFAOYSA-N -1 0 287.271 2.351 50 0 CEAARM Cc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000005422970 170097511 /nfs/dbraw/zinc/09/75/11/170097511.db2.gz BZPWDHCTIAIAJK-NSHDSACASA-N -1 0 250.298 2.226 50 0 CEAARM O=C([O-])CCCNC(=O)c1ccccc1Br ZINC000005583653 170116115 /nfs/dbraw/zinc/11/61/15/170116115.db2.gz LLOGLEXDBSSONQ-UHFFFAOYSA-N -1 0 286.125 2.044 50 0 CEAARM COc1ccc(C(=O)C(=O)Nc2ccccc2)c([O-])c1 ZINC000005675583 170127221 /nfs/dbraw/zinc/12/72/21/170127221.db2.gz IMBDWAQHNBGALN-UHFFFAOYSA-N -1 0 271.272 2.222 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1 ZINC000006634503 170220296 /nfs/dbraw/zinc/22/02/96/170220296.db2.gz ZQMVAKBVOJPNML-UHFFFAOYSA-N -1 0 281.377 2.380 50 0 CEAARM CCc1ccc([N-]S(=O)(=O)c2cnn(CC)c2)cc1 ZINC000006706536 170231040 /nfs/dbraw/zinc/23/10/40/170231040.db2.gz HNQZOHGYJXDGHF-UHFFFAOYSA-N -1 0 279.365 2.266 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000006725902 170232921 /nfs/dbraw/zinc/23/29/21/170232921.db2.gz MQNPHUAOQXOKQO-UWVGGRQHSA-N -1 0 280.711 2.341 50 0 CEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000007422972 170284173 /nfs/dbraw/zinc/28/41/73/170284173.db2.gz WRFGGPBBIVOTJL-UHFFFAOYSA-N -1 0 282.321 2.101 50 0 CEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000007708584 170298437 /nfs/dbraw/zinc/29/84/37/170298437.db2.gz VLUAXBUKSFOHAZ-UHFFFAOYSA-N -1 0 297.355 2.285 50 0 CEAARM O=c1cn[n-]c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000008856517 170357769 /nfs/dbraw/zinc/35/77/69/170357769.db2.gz KRMYYMHSIXNGAW-UHFFFAOYSA-N -1 0 257.080 2.215 50 0 CEAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)cc3=O)cc1OC ZINC000009137779 170364459 /nfs/dbraw/zinc/36/44/59/170364459.db2.gz DYHVFKISPYMTBN-UHFFFAOYSA-N -1 0 299.330 2.324 50 0 CEAARM COc1ccc([C@@H](C)NC(=O)CCCC(=O)[O-])cc1OC ZINC000017023710 170722346 /nfs/dbraw/zinc/72/23/46/170722346.db2.gz RWPKZXWQQVDNPO-SNVBAGLBSA-N -1 0 295.335 2.136 50 0 CEAARM O=C([O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000019264370 170763890 /nfs/dbraw/zinc/76/38/90/170763890.db2.gz IAVBAJSVXIXYBQ-CQSZACIVSA-N -1 0 283.283 2.327 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2OC(F)(F)F)C1 ZINC000019277047 170769873 /nfs/dbraw/zinc/76/98/73/170769873.db2.gz RVOPSZJREVIITI-ZETCQYMHSA-N -1 0 289.209 2.023 50 0 CEAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(Br)c1 ZINC000019405835 170787167 /nfs/dbraw/zinc/78/71/67/170787167.db2.gz LRLGMGTXNVDSMW-QMMMGPOBSA-N -1 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252.281 2.314 50 0 CEAARM Cc1occc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000021955698 171341341 /nfs/dbraw/zinc/34/13/41/171341341.db2.gz DAHZZFARBRJIFG-ZDUSSCGKSA-N -1 0 273.288 2.014 50 0 CEAARM Cc1occc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000021969097 171344424 /nfs/dbraw/zinc/34/44/24/171344424.db2.gz QACVKWMCSVANCI-LBPRGKRZSA-N -1 0 259.261 2.144 50 0 CEAARM C[C@](NC(=O)c1ccc(Cl)s1)(C(=O)[O-])C1CC1 ZINC000036980520 172847128 /nfs/dbraw/zinc/84/71/28/172847128.db2.gz SKBQIQYCPUPELS-LLVKDONJSA-N -1 0 273.741 2.385 50 0 CEAARM COc1ccc(NCc2nn(CCC(C)C)c(=O)[n-]2)cc1 ZINC000040286719 174219530 /nfs/dbraw/zinc/21/95/30/174219530.db2.gz FKVQEPLHNHJOAK-UHFFFAOYSA-N -1 0 290.367 2.238 50 0 CEAARM Cn1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000118759360 414780305 /nfs/dbraw/zinc/78/03/05/414780305.db2.gz PKIPBJXJULOOGP-UHFFFAOYSA-N -1 0 274.305 2.102 50 0 CEAARM CCS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCC1 ZINC000049419913 175476772 /nfs/dbraw/zinc/47/67/72/175476772.db2.gz ZBFJVTYJQJXFBX-UHFFFAOYSA-N -1 0 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ZINC000000333467 301641035 /nfs/dbraw/zinc/64/10/35/301641035.db2.gz VSTFEWZMNNXAHJ-STQMWFEESA-N -1 0 277.320 2.203 50 0 CEAARM Cc1nc(-c2ccccc2)nc2sc3c([n-]nnc3=O)c21 ZINC000009484792 302537761 /nfs/dbraw/zinc/53/77/61/302537761.db2.gz HDCZAEPETFFXFO-UHFFFAOYSA-N -1 0 295.327 2.298 50 0 CEAARM O=C(c1cc(F)c([O-])c(F)c1)N1CCC[C@H]1CCCO ZINC000097377191 321695094 /nfs/dbraw/zinc/69/50/94/321695094.db2.gz MEOVVCAJMMFWSX-JTQLQIEISA-N -1 0 285.290 2.048 50 0 CEAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3ccc[nH]3)C2)cc1 ZINC000072439156 327110865 /nfs/dbraw/zinc/11/08/65/327110865.db2.gz VSUCQVKAKNIYBB-ZDUSSCGKSA-N -1 0 298.342 2.418 50 0 CEAARM Cc1c[nH]c(CN(C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC000055198777 526001841 /nfs/dbraw/zinc/00/18/41/526001841.db2.gz AXHCWNPQSPLBSH-CQSZACIVSA-N -1 0 291.326 2.423 50 0 CEAARM Cc1ncsc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000050922366 527476222 /nfs/dbraw/zinc/47/62/22/527476222.db2.gz XOKVCMBXOWEIKH-UHFFFAOYSA-N -1 0 282.365 2.169 50 0 CEAARM COC[C@@H](N[C@H](C)c1nn(C)cc1[O-])c1ccccc1 ZINC000952993072 616903846 /nfs/dbraw/zinc/90/38/46/616903846.db2.gz VPZDSNOAIUUBIV-DGCLKSJQSA-N -1 0 275.352 2.164 50 0 CEAARM COCc1nc(N[C@@H]2CCc3ccccc32)ncc1C(=O)[O-] ZINC000169751219 639633741 /nfs/dbraw/zinc/63/37/41/639633741.db2.gz OLGIZSOWMLTTBN-CYBMUJFWSA-N -1 0 299.330 2.421 50 0 CEAARM CC(C)(NC(=O)[C@@H]1CC=CCC1)c1cc(C(=O)[O-])on1 ZINC000863981732 646864445 /nfs/dbraw/zinc/86/44/45/646864445.db2.gz MNLYQXFTNCOBRB-SECBINFHSA-N -1 0 278.308 2.080 50 0 CEAARM O=C([O-])c1cccn1C1CCN(C(=O)OCCCF)CC1 ZINC000952876276 815073443 /nfs/dbraw/zinc/07/34/43/815073443.db2.gz KAZSPUKNDOYCHN-UHFFFAOYSA-N -1 0 298.314 2.319 50 0 CEAARM CC(C)Cc1ccc(CN2CCO[C@H](C(=O)[O-])C2)s1 ZINC000821459814 810566756 /nfs/dbraw/zinc/56/67/56/810566756.db2.gz JGDZNTYSTPGUMF-ZDUSSCGKSA-N -1 0 283.393 2.232 50 0 CEAARM CC(C)c1ccsc1C(=O)N1CCO[C@@](C)(C(=O)[O-])C1 ZINC000585138117 813699142 /nfs/dbraw/zinc/69/91/42/813699142.db2.gz OWQALOLJHCRKMT-CQSZACIVSA-N -1 0 297.376 2.187 50 0 CEAARM C[C@H](CNC(=O)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000096480494 230380306 /nfs/dbraw/zinc/38/03/06/230380306.db2.gz SUGPKQPNXFLPTG-SECBINFHSA-N -1 0 269.728 2.110 50 0 CEAARM COc1cc(C(=O)[O-])cc(C(=O)N2C[C@@H]3CC[C@@H](C3)C2)c1 ZINC000426488562 230419936 /nfs/dbraw/zinc/41/99/36/230419936.db2.gz XQNCWEAJOLOYAT-PHIMTYICSA-N -1 0 289.331 2.266 50 0 CEAARM CCOC(=O)c1[n-]c(Br)nc1C(F)(F)F ZINC000095831121 185029654 /nfs/dbraw/zinc/02/96/54/185029654.db2.gz VHSMVVWMAHWZER-UHFFFAOYSA-N -1 0 287.035 2.368 50 0 CEAARM CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1cc(C(=O)[O-])co1 ZINC000095939864 185035039 /nfs/dbraw/zinc/03/50/39/185035039.db2.gz HBFMHLWORPCCSH-UWVGGRQHSA-N -1 0 265.309 2.484 50 0 CEAARM O=C([O-])c1ccc([C@@H]2NC(=O)CN2Cc2ccccc2)cc1 ZINC000095958679 185043077 /nfs/dbraw/zinc/04/30/77/185043077.db2.gz OJMSCBCDBWWSJZ-MRXNPFEDSA-N -1 0 296.326 2.015 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)CCc2ccc(F)cc2)C1 ZINC000095961799 185044737 /nfs/dbraw/zinc/04/47/37/185044737.db2.gz 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ZINC000037829535 361952742 /nfs/dbraw/zinc/95/27/42/361952742.db2.gz WBCFQMTUHWMTPU-QWHCGFSZSA-N -1 0 277.295 2.037 50 0 CEAARM COc1ccccc1NC(=O)c1ncccc1C(=O)[O-] ZINC000040803448 362000888 /nfs/dbraw/zinc/00/08/88/362000888.db2.gz UPMLFXJZKZWSEP-UHFFFAOYSA-N -1 0 272.260 2.041 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000097036767 185166505 /nfs/dbraw/zinc/16/65/05/185166505.db2.gz IMSBZSHXQIWDLM-DNIRFERGSA-N -1 0 261.321 2.016 50 0 CEAARM CCc1nc2sc(C)cc2c(N(C)CC(=O)[O-])n1 ZINC000041090721 362017487 /nfs/dbraw/zinc/01/74/87/362017487.db2.gz PIXCQADHYWFQGS-UHFFFAOYSA-N -1 0 265.338 2.083 50 0 CEAARM C[C@H](CN(C)C(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000042696357 362112107 /nfs/dbraw/zinc/11/21/07/362112107.db2.gz RGRQFMUDPRIVLW-ZJUUUORDSA-N -1 0 299.754 2.286 50 0 CEAARM Cc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)F)C1 ZINC000685940173 539306162 /nfs/dbraw/zinc/30/61/62/539306162.db2.gz KWQSSRGRDTWRKK-GHMZBOCLSA-N -1 0 283.274 2.033 50 0 CEAARM 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370731332 /nfs/dbraw/zinc/73/13/32/370731332.db2.gz KBADBJSRCCXDNQ-MNOVXSKESA-N -1 0 279.311 2.252 50 0 CEAARM COc1cc(C2(C(=O)NCC(=O)[O-])CCCC2)ccc1C ZINC000237306603 370708594 /nfs/dbraw/zinc/70/85/94/370708594.db2.gz DFMOCLDQGCGFDS-UHFFFAOYSA-N -1 0 291.347 2.016 50 0 CEAARM CSCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000237380905 370716226 /nfs/dbraw/zinc/71/62/26/370716226.db2.gz VWEQPEVFUSXCJX-SNVBAGLBSA-N -1 0 297.351 2.235 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000237660338 370743005 /nfs/dbraw/zinc/74/30/05/370743005.db2.gz GIEJLDWZLISLBI-QGZVFWFLSA-N -1 0 298.342 2.414 50 0 CEAARM Cc1ccsc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237767301 370750604 /nfs/dbraw/zinc/75/06/04/370750604.db2.gz DBRWGIOEPJPQFI-UHFFFAOYSA-N -1 0 297.376 2.152 50 0 CEAARM Cc1ccc2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)c(C)nc2c1 ZINC000237889234 370757147 /nfs/dbraw/zinc/75/71/47/370757147.db2.gz WJVBVAIPPOGMKL-ZDUSSCGKSA-N -1 0 298.342 2.398 50 0 CEAARM 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CEAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000617804 169676112 /nfs/dbraw/zinc/67/61/12/169676112.db2.gz BBLHDDNNWXSFLG-UHFFFAOYSA-N -1 0 297.282 2.084 50 0 CEAARM CN(Cc1ccon1)[C@H](C(=O)[O-])c1ccc2cc[nH]c2c1 ZINC000095357432 184952627 /nfs/dbraw/zinc/95/26/27/184952627.db2.gz RWFUYFDVBZHAEI-AWEZNQCLSA-N -1 0 285.303 2.414 50 0 CEAARM O=C([O-])c1coc2ccc(Br)cc2c1=O ZINC000002380425 304281844 /nfs/dbraw/zinc/28/18/44/304281844.db2.gz IJTWNMVKNJSGMS-UHFFFAOYSA-N -1 0 269.050 2.254 50 0 CEAARM CC(C)Oc1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262168895 131196807 /nfs/dbraw/zinc/19/68/07/131196807.db2.gz ONOUBGPYNUUTFT-INIZCTEOSA-N -1 0 291.347 2.411 50 0 CEAARM COc1c2sc(N)nc2c(Cl)cc1C(=O)[O-] ZINC000031893794 394487413 /nfs/dbraw/zinc/48/74/13/394487413.db2.gz LAZBRWYKONVZAZ-UHFFFAOYSA-N -1 0 258.686 2.239 50 0 CEAARM O=S(=O)([N-]c1ncccc1F)c1cc(F)cc(F)c1 ZINC000095994115 394675648 /nfs/dbraw/zinc/67/56/48/394675648.db2.gz GRVZQZPDDLDFLF-UHFFFAOYSA-N -1 0 288.250 2.300 50 0 CEAARM CC[C@@H](NC(=O)c1scnc1C(C)(C)C)C(=O)[O-] ZINC000097035877 394699420 /nfs/dbraw/zinc/69/94/20/394699420.db2.gz ICFRXMZISRRPPV-SSDOTTSWSA-N -1 0 270.354 2.034 50 0 CEAARM Cc1ccccc1C1(CNC(=O)C2(C(=O)[O-])CC2)CC1 ZINC000154852335 395024024 /nfs/dbraw/zinc/02/40/24/395024024.db2.gz XNIWGZQPESFCFQ-UHFFFAOYSA-N -1 0 273.332 2.008 50 0 CEAARM [O-]c1c(F)cc(F)cc1I ZINC000091692859 296589695 /nfs/dbraw/zinc/58/96/95/296589695.db2.gz DNTJGBIQTKFVRH-UHFFFAOYSA-N -1 0 255.989 2.275 50 0 CEAARM CCc1cc(N[C@H](Cc2ccccc2)C(=O)[O-])nc(C)n1 ZINC000263397115 154074341 /nfs/dbraw/zinc/07/43/41/154074341.db2.gz HXRDYXPZZWMRSF-CQSZACIVSA-N -1 0 285.347 2.455 50 0 CEAARM CCc1ccnc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000263464865 154097901 /nfs/dbraw/zinc/09/79/01/154097901.db2.gz WKWWJJUFNSEHEA-CYBMUJFWSA-N -1 0 290.363 2.361 50 0 CEAARM CCS(=O)(=O)Nc1cccc2cccc(C(=O)[O-])c21 ZINC000045929498 286690026 /nfs/dbraw/zinc/69/00/26/286690026.db2.gz QOELAIOHTVQVHI-UHFFFAOYSA-N -1 0 279.317 2.300 50 0 CEAARM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000416480 287015596 /nfs/dbraw/zinc/01/55/96/287015596.db2.gz VMMQONWYFDXURM-GFCCVEGCSA-N -1 0 297.376 2.338 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccsc1)C(=O)[O-] ZINC000002379458 169788197 /nfs/dbraw/zinc/78/81/97/169788197.db2.gz SIQSLARNSCAXSF-SECBINFHSA-N -1 0 271.338 2.269 50 0 CEAARM O=C([O-])c1nn(COc2cccc(F)c2)cc1Cl ZINC000002535900 169804457 /nfs/dbraw/zinc/80/44/57/169804457.db2.gz CZYTYRTWOGKPAO-UHFFFAOYSA-N -1 0 270.647 2.410 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1cccs1 ZINC000002772527 169828215 /nfs/dbraw/zinc/82/82/15/169828215.db2.gz MNGZNMIWIYMJRM-GHMZBOCLSA-N -1 0 267.350 2.255 50 0 CEAARM CCCC[C@H](C(=O)[O-])N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000004104416 169931963 /nfs/dbraw/zinc/93/19/63/169931963.db2.gz NUKMWUWMUQVTFL-GARJFASQSA-N -1 0 299.754 2.148 50 0 CEAARM Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000004570578 169984929 /nfs/dbraw/zinc/98/49/29/169984929.db2.gz YYGCLPMKIMGWKO-LLVKDONJSA-N -1 0 262.309 2.324 50 0 CEAARM O=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccco1 ZINC000004837441 170026935 /nfs/dbraw/zinc/02/69/35/170026935.db2.gz WSASDVXTTVSULN-PKNBQFBNSA-N -1 0 257.245 2.135 50 0 CEAARM O=C([O-])c1ccc2c(c1)nnn2CCc1ccccc1 ZINC000004941967 170043303 /nfs/dbraw/zinc/04/33/03/170043303.db2.gz RIHSXTOHOLXPMB-UHFFFAOYSA-N -1 0 267.288 2.372 50 0 CEAARM CSCC[C@@H](NC(=O)N[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000005427273 170098137 /nfs/dbraw/zinc/09/81/37/170098137.db2.gz ILLYGJKZYKQZBP-OUAUKWLOSA-N -1 0 288.413 2.071 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000006700114 170228730 /nfs/dbraw/zinc/22/87/30/170228730.db2.gz IROXQMROTFIROF-UHFFFAOYSA-N -1 0 284.287 2.469 50 0 CEAARM O=C([O-])CCSc1nnc(COc2ccccc2)o1 ZINC000006744826 170238968 /nfs/dbraw/zinc/23/89/68/170238968.db2.gz LGTQLROMFSLFSF-UHFFFAOYSA-N -1 0 280.305 2.215 50 0 CEAARM O=C([O-])c1ccccc1[S@@](=O)c1ccccc1CCO ZINC000008553527 170339911 /nfs/dbraw/zinc/33/99/11/170339911.db2.gz ZPOBTIITPIAJFL-HXUWFJFHSA-N -1 0 290.340 2.086 50 0 CEAARM CCc1ccc(C(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000008686258 170345618 /nfs/dbraw/zinc/34/56/18/170345618.db2.gz JNQHBNCHPNDALK-UHFFFAOYSA-N -1 0 289.360 2.423 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000008764947 170354841 /nfs/dbraw/zinc/35/48/41/170354841.db2.gz AMDIGSLXKNGOAS-ZANVPECISA-N -1 0 274.320 2.397 50 0 CEAARM COc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000008908682 170358406 /nfs/dbraw/zinc/35/84/06/170358406.db2.gz YTCSURALFUMLBF-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM COc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1 ZINC000009329045 170372391 /nfs/dbraw/zinc/37/23/91/170372391.db2.gz HFDDPJHKIISNQP-XFFZJAGNSA-N -1 0 291.332 2.340 50 0 CEAARM Cc1n[nH]c(SC(=Cc2cccs2)C(=O)[O-])n1 ZINC000009411648 170376147 /nfs/dbraw/zinc/37/61/47/170376147.db2.gz SQLPXTABTULZKG-VMPITWQZSA-N -1 0 267.335 2.392 50 0 CEAARM CC(C)N1C(=O)S[C@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000009423692 170376439 /nfs/dbraw/zinc/37/64/39/170376439.db2.gz RVBUKZYGWRJCDB-JTQLQIEISA-N -1 0 294.332 2.227 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013176332 170539005 /nfs/dbraw/zinc/53/90/05/170539005.db2.gz PQIPPZYBTCMXBF-ZHAHWJHGSA-N -1 0 265.284 2.114 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1 ZINC000019263022 170763176 /nfs/dbraw/zinc/76/31/76/170763176.db2.gz VJFVHSBVRFORJE-ZETCQYMHSA-N -1 0 289.209 2.023 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccccc1Cl ZINC000019281299 170771929 /nfs/dbraw/zinc/77/19/29/170771929.db2.gz LOVUFOTULFWCRN-LBPRGKRZSA-N -1 0 281.739 2.348 50 0 CEAARM Cc1nc(C)c(C(=O)NCCCCCC(=O)[O-])s1 ZINC000020724727 171270324 /nfs/dbraw/zinc/27/03/24/171270324.db2.gz WACWHHOVKANFNT-UHFFFAOYSA-N -1 0 270.354 2.135 50 0 CEAARM Cc1nc(C)c(C(=O)N2CCC(CC(=O)[O-])CC2)s1 ZINC000034927259 171895385 /nfs/dbraw/zinc/89/53/85/171895385.db2.gz ZEAGNOLJDISZDX-UHFFFAOYSA-N -1 0 282.365 2.087 50 0 CEAARM O=C([O-])[C@H]1CCCN(Cc2noc(-c3ccccc3)n2)C1 ZINC000035297068 172110331 /nfs/dbraw/zinc/11/03/31/172110331.db2.gz ZHWFOIXZQCPKRJ-LBPRGKRZSA-N -1 0 287.319 2.033 50 0 CEAARM COc1cccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000037410708 173187515 /nfs/dbraw/zinc/18/75/15/173187515.db2.gz AQFOAMLOPFNXPH-MYSGNRETSA-N -1 0 289.331 2.174 50 0 CEAARM O=C([O-])[C@@H]1CCCN1Cc1nc2ccccc2s1 ZINC000038090467 174103756 /nfs/dbraw/zinc/10/37/56/174103756.db2.gz IVZDJDJSDWBEMN-JTQLQIEISA-N -1 0 262.334 2.345 50 0 CEAARM CN(Cc1ccsc1)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000040575298 174341011 /nfs/dbraw/zinc/34/10/11/174341011.db2.gz IOOAJNTXCVPCCK-SNVBAGLBSA-N -1 0 284.381 2.389 50 0 CEAARM CCOC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000040690468 174376847 /nfs/dbraw/zinc/37/68/47/174376847.db2.gz WYOZYXVEASVLJY-UHFFFAOYSA-N -1 0 277.320 2.026 50 0 CEAARM CC(C)n1cc2cc(NC(=O)C3(C(=O)[O-])CC3)ccc2n1 ZINC000118973772 414780241 /nfs/dbraw/zinc/78/02/41/414780241.db2.gz HJDKYDWFPJJJBR-UHFFFAOYSA-N -1 0 287.319 2.421 50 0 CEAARM O=C([O-])[C@@]1(NC(=O)c2ccc(Cl)s2)CCSC1 ZINC000043510897 175060148 /nfs/dbraw/zinc/06/01/48/175060148.db2.gz UFRJYRRNCTZNJZ-SNVBAGLBSA-N -1 0 291.781 2.092 50 0 CEAARM Cc1noc(C)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043589683 175073329 /nfs/dbraw/zinc/07/33/29/175073329.db2.gz HKRYDPPQXFPERF-LLVKDONJSA-N -1 0 280.324 2.008 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000050921599 175520476 /nfs/dbraw/zinc/52/04/76/175520476.db2.gz OUBXUPICGPTJEA-NSHDSACASA-N -1 0 265.309 2.448 50 0 CEAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)NC(C)C)cc1 ZINC000057576538 175599565 /nfs/dbraw/zinc/59/95/65/175599565.db2.gz OREMUUHKUYQCSJ-GFCCVEGCSA-N -1 0 279.336 2.168 50 0 CEAARM O=C([O-])[C@@H](CNC(=O)c1cccs1)c1ccccc1 ZINC000061608533 175651040 /nfs/dbraw/zinc/65/10/40/175651040.db2.gz PEQZFPPJXGSYIZ-NSHDSACASA-N -1 0 275.329 2.346 50 0 CEAARM Cc1cccc(OCCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000062117920 175663691 /nfs/dbraw/zinc/66/36/91/175663691.db2.gz VKSLKFUUDKLUHO-CYBMUJFWSA-N -1 0 291.347 2.087 50 0 CEAARM COc1ccc(OC)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000071405220 176155395 /nfs/dbraw/zinc/15/53/95/176155395.db2.gz NTWCCHSJAICNFA-VHSXEESVSA-N -1 0 293.319 2.143 50 0 CEAARM CC(=O)N1[C@H](C)c2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000000850499 278075625 /nfs/dbraw/zinc/07/56/25/278075625.db2.gz OSXCHCJGSVTSSB-AMIZOPFISA-N -1 0 272.304 2.087 50 0 CEAARM CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000057218523 278151913 /nfs/dbraw/zinc/15/19/13/278151913.db2.gz QYAZKNJZYGILFU-LLVKDONJSA-N -1 0 275.226 2.141 50 0 CEAARM CC(C)(C)OC(=O)N1CCc2ncc(C(=O)[O-])cc2C1 ZINC000095707683 278414100 /nfs/dbraw/zinc/41/41/00/278414100.db2.gz XLCFMXRWJJKNKY-UHFFFAOYSA-N -1 0 278.308 2.073 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)[O-])C2(Cl)Cl ZINC000097463432 278419559 /nfs/dbraw/zinc/41/95/59/278419559.db2.gz AJGRRMJOHXYQHC-ACZMJKKPSA-N -1 0 296.150 2.110 50 0 CEAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)C1Cc2ccccc2C1 ZINC000426494407 279120188 /nfs/dbraw/zinc/12/01/88/279120188.db2.gz UNDSKHJZVWZISJ-OAHLLOKOSA-N -1 0 289.375 2.407 50 0 CEAARM Cc1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000208201699 280206263 /nfs/dbraw/zinc/20/62/63/280206263.db2.gz MADGIBGOPOEDEK-LJTDUEICSA-N -1 0 259.305 2.084 50 0 CEAARM CC1(C)[C@H](C(=O)Nc2cccnc2Cl)[C@@H]1C(=O)[O-] ZINC000071281649 281465691 /nfs/dbraw/zinc/46/56/91/281465691.db2.gz VURRFMSMJSMTGJ-JGVFFNPUSA-N -1 0 268.700 2.030 50 0 CEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000043827389 288430771 /nfs/dbraw/zinc/43/07/71/288430771.db2.gz NKZAZUYDWWUQBL-ZDUSSCGKSA-N -1 0 257.330 2.498 50 0 CEAARM CCc1cc2c(cc1[O-])occ(-c1c[nH]cn1)c2=O ZINC000005817790 288526313 /nfs/dbraw/zinc/52/63/13/288526313.db2.gz KAAZOQYTCLEQEV-UHFFFAOYSA-N -1 0 256.261 2.451 50 0 CEAARM C[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2)c2nccn21 ZINC000263388788 288564430 /nfs/dbraw/zinc/56/44/30/288564430.db2.gz DSLMZBYTARASAL-ZWNOBZJWSA-N -1 0 271.320 2.377 50 0 CEAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])O1 ZINC000263434452 297369794 /nfs/dbraw/zinc/36/97/94/297369794.db2.gz OFXFKUAVXATSDF-SFTQSGBHSA-N -1 0 283.368 2.046 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000237443088 298754388 /nfs/dbraw/zinc/75/43/88/298754388.db2.gz GXEKUJIJMKUIMO-FBIMIBRVSA-N -1 0 281.739 2.280 50 0 CEAARM O=C1Nc2ccc(Cl)cc2O[C@@]1([O-])C(F)(F)Cl ZINC000004693873 304688896 /nfs/dbraw/zinc/68/88/96/304688896.db2.gz RUCUOXYDSRLTKD-MRVPVSSYSA-N -1 0 284.045 2.191 50 0 CEAARM Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000225797 301624364 /nfs/dbraw/zinc/62/43/64/301624364.db2.gz DRPUWRHXSUVQLL-UHFFFAOYSA-N -1 0 281.267 2.494 50 0 CEAARM Cn1nc2cc(Br)ccc2c1C(=O)[O-] ZINC000034936124 303045278 /nfs/dbraw/zinc/04/52/78/303045278.db2.gz QNIIYXJKTORVOF-UHFFFAOYSA-N -1 0 255.071 2.034 50 0 CEAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000195541890 321820578 /nfs/dbraw/zinc/82/05/78/321820578.db2.gz UKVIZCVOFHISQL-GXFFZTMASA-N -1 0 273.288 2.471 50 0 CEAARM Cc1cnn([C@H](C)CNC(=O)c2ccc(O)c(F)c2)c1 ZINC000534642206 328328849 /nfs/dbraw/zinc/32/88/49/328328849.db2.gz QGGYYIGLWQAXIS-SNVBAGLBSA-N -1 0 277.299 2.027 50 0 CEAARM CCCc1n[n-]c(=NCCc2nc(C)cs2)s1 ZINC000534630499 328331063 /nfs/dbraw/zinc/33/10/63/328331063.db2.gz CZTHBBAHHAMYNA-UHFFFAOYSA-N -1 0 268.411 2.332 50 0 CEAARM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000096500766 527556010 /nfs/dbraw/zinc/55/60/10/527556010.db2.gz MOWQWQWTOZRKBM-UHFFFAOYSA-N -1 0 294.332 2.314 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CC[C@H]1CCOC1 ZINC000262941977 527598134 /nfs/dbraw/zinc/59/81/34/527598134.db2.gz CLSKGRSYXZOBLZ-QWHCGFSZSA-N -1 0 283.368 2.049 50 0 CEAARM CC(C)c1ccoc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000263058517 535376922 /nfs/dbraw/zinc/37/69/22/535376922.db2.gz XBNCILOYIIFMMB-JTQLQIEISA-N -1 0 265.309 2.482 50 0 CEAARM C[C@H](CNC(=O)c1csc(C(=O)[O-])n1)C(C)(C)C ZINC000227273849 639580580 /nfs/dbraw/zinc/58/05/80/639580580.db2.gz UFLRAKLCTJCEIS-SSDOTTSWSA-N -1 0 270.354 2.253 50 0 CEAARM CCNc1ccccc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC ZINC000864086590 646893693 /nfs/dbraw/zinc/89/36/93/646893693.db2.gz LUSFDQOMMSBGEJ-LLVKDONJSA-N -1 0 298.408 2.360 50 0 CEAARM O=C([O-])CCCC(=O)Nc1cccc(-c2c[nH]cn2)c1 ZINC000952970929 815084188 /nfs/dbraw/zinc/08/41/88/815084188.db2.gz CLHDQXNAPVSCSG-UHFFFAOYSA-N -1 0 273.292 2.270 50 0 CEAARM CCc1nc(=N[C@H](CC)c2nc(C)c[nH]2)s[n-]1 ZINC000585092058 813671867 /nfs/dbraw/zinc/67/18/67/813671867.db2.gz CTXFFDKZCHIQFM-MRVPVSSYSA-N -1 0 251.359 2.117 50 0 CEAARM Cc1nsc(C(=O)[O-])c1NC(=O)OC(C)(C)C ZINC000095627644 185016995 /nfs/dbraw/zinc/01/69/95/185016995.db2.gz VFOBPYOMFJEYMC-UHFFFAOYSA-N -1 0 258.299 2.497 50 0 CEAARM C[C@H](Cc1ccccc1)C(=O)N(C)CCCC(=O)[O-] ZINC000095969619 185047715 /nfs/dbraw/zinc/04/77/15/185047715.db2.gz MDQODMGVYNRBRD-GFCCVEGCSA-N -1 0 263.337 2.188 50 0 CEAARM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)s1 ZINC000095970072 185048561 /nfs/dbraw/zinc/04/85/61/185048561.db2.gz ZPGKCOQJCVJAPG-LLVKDONJSA-N -1 0 269.366 2.215 50 0 CEAARM C/C(=C\c1ccc(F)cc1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000095989488 185057654 /nfs/dbraw/zinc/05/76/54/185057654.db2.gz AIOUXQYEDIHECH-UQSGXBNBSA-N -1 0 279.311 2.408 50 0 CEAARM Cc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2 ZINC000034955519 361799113 /nfs/dbraw/zinc/79/91/13/361799113.db2.gz PAHYHSJSMRYCBJ-UHFFFAOYSA-N -1 0 289.360 2.159 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)CCCc1ccccc1 ZINC000034202520 361787401 /nfs/dbraw/zinc/78/74/01/361787401.db2.gz XQIRATUKSYJTKI-CYBMUJFWSA-N -1 0 261.321 2.085 50 0 CEAARM O=C([O-])c1cnn(-c2ccccc2)c1Br ZINC000034162416 361787453 /nfs/dbraw/zinc/78/74/53/361787453.db2.gz JDXINZHHDLGKGO-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM O=[P@@]([O-])(O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000034474767 361791463 /nfs/dbraw/zinc/79/14/63/361791463.db2.gz NTUQIHXUWNQRPZ-UHFFFAOYSA-N -1 0 262.070 2.060 50 0 CEAARM C[C@@H](CN(C)C(=O)c1coc(-c2ccccc2)n1)C(=O)[O-] ZINC000122663368 365631478 /nfs/dbraw/zinc/63/14/78/365631478.db2.gz HMRSTVNLQRPMAO-JTQLQIEISA-N -1 0 288.303 2.134 50 0 CEAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2oc(=O)cc(C)c12 ZINC000036037702 361825319 /nfs/dbraw/zinc/82/53/19/361825319.db2.gz AFLSTRCJUQDYSS-UHFFFAOYSA-N -1 0 284.271 2.294 50 0 CEAARM CN(CCC(=O)[O-])C(=O)Cc1cc(Cl)ccc1Cl ZINC000097018614 185152742 /nfs/dbraw/zinc/15/27/42/185152742.db2.gz UZTXBRDSJDVQRN-UHFFFAOYSA-N -1 0 290.146 2.469 50 0 CEAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000039408478 361989407 /nfs/dbraw/zinc/98/94/07/361989407.db2.gz HIHCMWIQHUQLBO-JTQLQIEISA-N -1 0 298.136 2.025 50 0 CEAARM O=C([O-])C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000039947495 361990828 /nfs/dbraw/zinc/99/08/28/361990828.db2.gz UHVMPHOVDYKWDK-UHFFFAOYSA-N -1 0 272.304 2.241 50 0 CEAARM CC/C=C(/C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000040217583 361992103 /nfs/dbraw/zinc/99/21/03/361992103.db2.gz FHHLWGZNHDUHBG-KGBIHWOQSA-N -1 0 273.332 2.381 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1sccc1C ZINC000097018188 529493502 /nfs/dbraw/zinc/49/35/02/529493502.db2.gz VRSLANUESLYVBK-LBPRGKRZSA-N -1 0 255.339 2.430 50 0 CEAARM CC1CCC(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000130717685 539221551 /nfs/dbraw/zinc/22/15/51/539221551.db2.gz DWYGFBYGIUEUQW-UHFFFAOYSA-N -1 0 253.342 2.136 50 0 CEAARM CC(C)(CC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000043214288 362140013 /nfs/dbraw/zinc/14/00/13/362140013.db2.gz HUVXYFZBCXPMDS-UHFFFAOYSA-N -1 0 264.277 2.141 50 0 CEAARM Cc1cc(NC(=O)c2cccn2C)ccc1C(=O)[O-] ZINC000044749894 362154897 /nfs/dbraw/zinc/15/48/97/362154897.db2.gz YNRHBDHKWWXQSI-UHFFFAOYSA-N -1 0 258.277 2.284 50 0 CEAARM CC(C)CCNC(=O)c1c([O-])c2sccc2[nH]c1=O ZINC000065215066 343696174 /nfs/dbraw/zinc/69/61/74/343696174.db2.gz NAICRPWZXIPYBV-UHFFFAOYSA-N -1 0 280.349 2.071 50 0 CEAARM Cc1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000128147398 187354580 /nfs/dbraw/zinc/35/45/80/187354580.db2.gz CNUMMYBEYQQFOV-LLVKDONJSA-N -1 0 280.324 2.008 50 0 CEAARM CC(C)CCOCCS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000048708115 362299166 /nfs/dbraw/zinc/29/91/66/362299166.db2.gz QKVBVKWXAALRMA-UHFFFAOYSA-N -1 0 296.392 2.399 50 0 CEAARM Cc1ccc2cc(C(=O)Nc3[n-]c(=O)ncc3F)ccc2n1 ZINC000170088525 344484695 /nfs/dbraw/zinc/48/46/95/344484695.db2.gz FDKKFLDIYJQSLV-UHFFFAOYSA-N -1 0 298.277 2.018 50 0 CEAARM Cc1cc(C(=O)Nc2[n-]c(=O)ncc2F)nc2ccccc12 ZINC000170088495 344484758 /nfs/dbraw/zinc/48/47/58/344484758.db2.gz HYOFDWYZLGNSCH-UHFFFAOYSA-N -1 0 298.277 2.018 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2)c(Cl)n1 ZINC000170597351 344485705 /nfs/dbraw/zinc/48/57/05/344485705.db2.gz MGYXWEKAKLSPEE-UHFFFAOYSA-N -1 0 283.740 2.239 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000052944191 362476949 /nfs/dbraw/zinc/47/69/49/362476949.db2.gz GJUQTMGWIALMLN-NSHDSACASA-N -1 0 281.739 2.206 50 0 CEAARM CCn1cc(NC(=O)CCc2ccc(C(=O)[O-])cc2)cn1 ZINC000585134518 345006273 /nfs/dbraw/zinc/00/62/73/345006273.db2.gz XOYKQCPAUOPVOR-UHFFFAOYSA-N -1 0 287.319 2.173 50 0 CEAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(Br)cc1 ZINC000057980292 362603877 /nfs/dbraw/zinc/60/38/77/362603877.db2.gz CIGGOCOFRAALQR-GXSJLCMTSA-N -1 0 298.136 2.053 50 0 CEAARM O=S(=O)([N-]c1nccs1)c1cc(F)cc(F)c1 ZINC000060486721 362664192 /nfs/dbraw/zinc/66/41/92/362664192.db2.gz GPVICZBQEIAWHH-UHFFFAOYSA-N -1 0 276.289 2.222 50 0 CEAARM CCCN1C(=O)c2ccccc2[C@@H]1SCC(=O)[O-] ZINC000085430390 179059592 /nfs/dbraw/zinc/05/95/92/179059592.db2.gz CJQYLIIBVCWGFZ-ZDUSSCGKSA-N -1 0 265.334 2.369 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)c1cc(F)ccc1C ZINC000062664578 362721631 /nfs/dbraw/zinc/72/16/31/362721631.db2.gz JHKVILOONBFKIH-UHFFFAOYSA-N -1 0 253.273 2.071 50 0 CEAARM COc1cc(Cl)ccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062914164 362733584 /nfs/dbraw/zinc/73/35/84/362733584.db2.gz MFTRLAFWAOAPEO-CQSZACIVSA-N -1 0 297.738 2.285 50 0 CEAARM CC(C)O[C@H](C)c1nnc(SCC(=O)[O-])n1C1CC1 ZINC000065398884 362817507 /nfs/dbraw/zinc/81/75/07/362817507.db2.gz SFRXTFOQWRPRSV-MRVPVSSYSA-N -1 0 285.369 2.276 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccncc1Cl ZINC000091449258 180157696 /nfs/dbraw/zinc/15/76/96/180157696.db2.gz GODSLVIJFFASCC-MRVPVSSYSA-N -1 0 270.716 2.060 50 0 CEAARM Cc1ccc(C(=O)[O-])c(N2C[C@@H](C)[C@](O)(C3CCC3)C2)n1 ZINC000091452532 180159417 /nfs/dbraw/zinc/15/94/17/180159417.db2.gz RJNCBGVZMMYGJJ-HWPZZCPQSA-N -1 0 290.363 2.076 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1C1CC1 ZINC000091808520 180260418 /nfs/dbraw/zinc/26/04/18/180260418.db2.gz RTDBMDKVOCDLRE-QWHCGFSZSA-N -1 0 293.388 2.250 50 0 CEAARM COc1ncccc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000106426422 186116642 /nfs/dbraw/zinc/11/66/42/186116642.db2.gz MIZWGBTXBOSBBO-UHFFFAOYSA-N -1 0 286.287 2.349 50 0 CEAARM COC(C)(C)C(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC000630258598 351672353 /nfs/dbraw/zinc/67/23/53/351672353.db2.gz PVGGAZRTXIHRSO-QMMMGPOBSA-N -1 0 299.298 2.041 50 0 CEAARM O=C(c1c([O-])cccc1F)N1CCC[C@@H](n2cccn2)C1 ZINC000122544957 187037546 /nfs/dbraw/zinc/03/75/46/187037546.db2.gz RGUVRJHNMRWITQ-LLVKDONJSA-N -1 0 289.310 2.205 50 0 CEAARM O=C([O-])/C(=C/c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000002023411 304023069 /nfs/dbraw/zinc/02/30/69/304023069.db2.gz VBLUHSFFVJULCF-UVTDQMKNSA-N -1 0 293.278 2.408 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000131554714 187573445 /nfs/dbraw/zinc/57/34/45/187573445.db2.gz IPEZUYMERKDXIZ-UFBFGSQYSA-N -1 0 267.300 2.363 50 0 CEAARM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)[O-])c(O)c12 ZINC000070631692 363102174 /nfs/dbraw/zinc/10/21/74/363102174.db2.gz NGMWBOLNTDARQS-UHFFFAOYSA-N -1 0 283.287 2.441 50 0 CEAARM O=C([O-])/C=C\C1=C(Cl)c2ccccc2S1(=O)=O ZINC000033573538 304024005 /nfs/dbraw/zinc/02/40/05/304024005.db2.gz PESVIVSVXAOIEM-WAYWQWQTSA-N -1 0 270.693 2.022 50 0 CEAARM O=C([O-])[C@@H]1CN(Cc2cc3ccccc3s2)CCO1 ZINC000072421730 363133830 /nfs/dbraw/zinc/13/38/30/363133830.db2.gz NFQGXZFNNUARSG-LBPRGKRZSA-N -1 0 277.345 2.187 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cc(C)c(F)cc1F ZINC000137272049 187896160 /nfs/dbraw/zinc/89/61/60/187896160.db2.gz BLWJQHCMSAENNI-UHFFFAOYSA-N -1 0 271.263 2.210 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccc(F)cc2)CCCCC1 ZINC000013168181 304032995 /nfs/dbraw/zinc/03/29/95/304032995.db2.gz KPDXTOPUPBFEBE-UHFFFAOYSA-N -1 0 265.284 2.343 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000169967209 188666801 /nfs/dbraw/zinc/66/68/01/188666801.db2.gz ZJVXWPBZJRVMPY-SFGNSQDASA-N -1 0 267.712 2.033 50 0 CEAARM Cc1ccc(C)c2sc(N(C)CC(=O)[O-])nc21 ZINC000074934186 363423838 /nfs/dbraw/zinc/42/38/38/363423838.db2.gz STLSHCMEBHNWBR-UHFFFAOYSA-N -1 0 250.323 2.434 50 0 CEAARM O=C([O-])C1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000037433205 304041246 /nfs/dbraw/zinc/04/12/46/304041246.db2.gz BATCZTQETSBVRN-OAHLLOKOSA-N -1 0 287.359 2.430 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000134434147 304050917 /nfs/dbraw/zinc/05/09/17/304050917.db2.gz YVECDWHRMJSXFK-BDAKNGLRSA-N -1 0 281.274 2.336 50 0 CEAARM O=C([O-])C[C@@H](n1cnc2sccc2c1=O)C(F)(F)F ZINC000032627771 304074539 /nfs/dbraw/zinc/07/45/39/304074539.db2.gz QSYOMMZIWSLYBR-ZCFIWIBFSA-N -1 0 292.238 2.036 50 0 CEAARM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000136525660 366515448 /nfs/dbraw/zinc/51/54/48/366515448.db2.gz CAQCOIYELXKONM-GWCFXTLKSA-N -1 0 279.311 2.395 50 0 CEAARM COc1cccc(Cl)c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136144075 366498090 /nfs/dbraw/zinc/49/80/90/366498090.db2.gz DKJOSXZBJGJVKA-VIFPVBQESA-N -1 0 297.738 2.285 50 0 CEAARM O=C(NC[C@H]1CCC[C@@H]1O)c1ccc2[n-]c(=S)oc2c1 ZINC000081467168 363719637 /nfs/dbraw/zinc/71/96/37/363719637.db2.gz MJVASYWDIUODRM-KOLCDFICSA-N -1 0 292.360 2.381 50 0 CEAARM COC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O ZINC000000107591 361129025 /nfs/dbraw/zinc/12/90/25/361129025.db2.gz IJJCPMHDLTXVKA-UHFFFAOYSA-N -1 0 282.679 2.176 50 0 CEAARM CC(C)(C)c1ccc(CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000000148912 361135886 /nfs/dbraw/zinc/13/58/86/361135886.db2.gz BZRROHKAGBIHIS-UHFFFAOYSA-N -1 0 291.376 2.048 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1 ZINC000000151468 361136336 /nfs/dbraw/zinc/13/63/36/361136336.db2.gz GOCPCJNONCMHLZ-LURJTMIESA-N -1 0 274.103 2.431 50 0 CEAARM O=S(=O)(Cc1ccccc1)[N-]c1nccs1 ZINC000000183591 361141476 /nfs/dbraw/zinc/14/14/76/361141476.db2.gz ARJMJQRFEJVSTC-UHFFFAOYSA-N -1 0 254.336 2.085 50 0 CEAARM [O-]C1=C[C@](O)(C(F)(F)C(F)F)Oc2ccccc21 ZINC000000185384 361142530 /nfs/dbraw/zinc/14/25/30/361142530.db2.gz LBUFHPUAFQVEFC-SNVBAGLBSA-N -1 0 264.174 2.241 50 0 CEAARM CCCc1cc(C(=O)OC)c(NC(=O)CCC(=O)[O-])s1 ZINC000000214743 361147538 /nfs/dbraw/zinc/14/75/38/361147538.db2.gz OHUOQSOCBHRXLE-UHFFFAOYSA-N -1 0 299.348 2.291 50 0 CEAARM O=C([O-])C[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000000275753 361155385 /nfs/dbraw/zinc/15/53/85/361155385.db2.gz MMPXOXNLAORIRR-NSHDSACASA-N -1 0 259.261 2.225 50 0 CEAARM Cc1cccc2sc(NC(=O)/C=C/C(=O)[O-])nc21 ZINC000000283079 361156735 /nfs/dbraw/zinc/15/67/35/361156735.db2.gz CGQBOJLXCIXBEP-AATRIKPKSA-N -1 0 262.290 2.184 50 0 CEAARM COc1c2ccoc2c(OC)c(O)c1/C=C/C(=O)[O-] ZINC000000296244 361158059 /nfs/dbraw/zinc/15/80/59/361158059.db2.gz OZUKJVVCLQNGHV-ONEGZZNKSA-N -1 0 264.233 2.253 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccccc1N1CCCCC1 ZINC000000376346 361167560 /nfs/dbraw/zinc/16/75/60/361167560.db2.gz WQFJIMIQIBQSGI-UHFFFAOYSA-N -1 0 276.336 2.480 50 0 CEAARM Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)[O-])cc1 ZINC000000507705 361181732 /nfs/dbraw/zinc/18/17/32/361181732.db2.gz KZZXWFMSTZOYOO-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM COc1ccc2c(c1)[C@H]([N-]C(=O)C(F)(F)F)CC2=O ZINC000001384226 361201812 /nfs/dbraw/zinc/20/18/12/361201812.db2.gz CFPKKCPREADDCE-SECBINFHSA-N -1 0 273.210 2.001 50 0 CEAARM CS(=O)(=O)[N-]c1nc(-c2ccccc2)cs1 ZINC000000356537 361165174 /nfs/dbraw/zinc/16/51/74/361165174.db2.gz LCSFXAKFOMEASS-UHFFFAOYSA-N -1 0 254.336 2.182 50 0 CEAARM CSCC[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000002107135 361227558 /nfs/dbraw/zinc/22/75/58/361227558.db2.gz SUGPXHLBKMNFKG-JQWIXIFHSA-N -1 0 296.392 2.253 50 0 CEAARM CC(C)CCOCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002140000 361229259 /nfs/dbraw/zinc/22/92/59/361229259.db2.gz XZBAGJRAFXSASW-UHFFFAOYSA-N -1 0 265.309 2.386 50 0 CEAARM O=C([O-])CCCCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000002566582 361240308 /nfs/dbraw/zinc/24/03/08/361240308.db2.gz DOCOYOQDXZNCEI-ZRDIBKRKSA-N -1 0 297.376 2.222 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1Cc2ccccc2C1 ZINC000002567258 361240994 /nfs/dbraw/zinc/24/09/94/361240994.db2.gz VCHHRDDQOOBPTC-ZDUSSCGKSA-N -1 0 291.347 2.379 50 0 CEAARM Cc1ccc2c(cc(C(=O)N[C@H](C(=O)[O-])C(C)C)n2C)c1 ZINC000004000257 361296331 /nfs/dbraw/zinc/29/63/31/361296331.db2.gz PYIMIRIORXLYEN-AWEZNQCLSA-N -1 0 288.347 2.326 50 0 CEAARM O=C([O-])CCCCCN1C(=O)c2ccc(F)cc2C1=O ZINC000003188581 361266980 /nfs/dbraw/zinc/26/69/80/361266980.db2.gz ULMQHYXVAKNCSQ-UHFFFAOYSA-N -1 0 279.267 2.067 50 0 CEAARM CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000004126361 361301456 /nfs/dbraw/zinc/30/14/56/361301456.db2.gz TVUAZYKHHMOUKA-RRHJKOLHSA-N -1 0 279.380 2.428 50 0 CEAARM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@H]1CCCO1 ZINC000004197181 361305769 /nfs/dbraw/zinc/30/57/69/361305769.db2.gz 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COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237185035 295379801 /nfs/dbraw/zinc/37/98/01/295379801.db2.gz VEMCPIOYTLSSMH-WCQYABFASA-N -1 0 291.347 2.264 50 0 CEAARM Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nc1 ZINC000000441677 301643733 /nfs/dbraw/zinc/64/37/33/301643733.db2.gz NPZXPBPVCPNFRC-WDEREUQCSA-N -1 0 262.309 2.220 50 0 CEAARM O=c1cc(-c2ccccc2)nc2[n-]c(C(F)(F)F)nn21 ZINC000101020606 304816730 /nfs/dbraw/zinc/81/67/30/304816730.db2.gz HNYWWOAQGOSNJJ-UHFFFAOYSA-N -1 0 280.209 2.103 50 0 CEAARM Cc1ocnc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000097231304 321694294 /nfs/dbraw/zinc/69/42/94/321694294.db2.gz YGNWMKUXWIUICO-CABZTGNLSA-N -1 0 288.303 2.175 50 0 CEAARM CO[C@@H](C)c1ccc(-c2cnn(C)c2C(=O)[O-])cc1 ZINC000534659646 328342143 /nfs/dbraw/zinc/34/21/43/328342143.db2.gz WSNCUXPFSHOFHW-VIFPVBQESA-N -1 0 260.293 2.493 50 0 CEAARM C[C@@H](CNC(=O)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000096480491 533894317 /nfs/dbraw/zinc/89/43/17/533894317.db2.gz SUGPKQPNXFLPTG-VIFPVBQESA-N -1 0 269.728 2.110 50 0 CEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000097017712 534539951 /nfs/dbraw/zinc/53/99/51/534539951.db2.gz LZONXEDZYIRYCM-QWRGUYRKSA-N -1 0 299.330 2.490 50 0 CEAARM O=C([O-])c1ccc(NC(=O)CCc2cscn2)cc1 ZINC000096479711 534544857 /nfs/dbraw/zinc/54/48/57/534544857.db2.gz UZIPTZFAGNIVCE-UHFFFAOYSA-N -1 0 276.317 2.413 50 0 CEAARM O=S(=O)([N-]c1ccon1)c1ccc(F)cc1Cl ZINC000096499603 534871930 /nfs/dbraw/zinc/87/19/30/534871930.db2.gz LIWHKFVURPYFDI-UHFFFAOYSA-N -1 0 276.676 2.268 50 0 CEAARM COc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])ccc1Cl ZINC000263427965 536887172 /nfs/dbraw/zinc/88/71/72/536887172.db2.gz KDAIKDPKQMZTQM-CQSZACIVSA-N -1 0 297.738 2.428 50 0 CEAARM O=C([O-])[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 ZINC000216710993 567947868 /nfs/dbraw/zinc/94/78/68/567947868.db2.gz YMMKNFMTCXHMIM-GXFFZTMASA-N -1 0 276.267 2.174 50 0 CEAARM Cc1noc(C)c1CC(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000035099085 361811687 /nfs/dbraw/zinc/81/16/87/361811687.db2.gz SHAHQWZAHYPJII-UHFFFAOYSA-N -1 0 288.303 2.479 50 0 CEAARM COc1ccc(-c2ncc(C(=O)[O-])c(N3CCCC3)n2)cc1 ZINC000035981482 361824571 /nfs/dbraw/zinc/82/45/71/361824571.db2.gz MFDNLGSTNQKNEX-UHFFFAOYSA-N -1 0 299.330 2.451 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])Cc1nc(-c2ccccc2)no1 ZINC000037599295 361909489 /nfs/dbraw/zinc/90/94/89/361909489.db2.gz IALCTFPCOWENEM-NSHDSACASA-N -1 0 289.335 2.422 50 0 CEAARM C[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000097020137 185152483 /nfs/dbraw/zinc/15/24/83/185152483.db2.gz MYWHWWJIUQKQAZ-SECBINFHSA-N -1 0 291.278 2.478 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)no1 ZINC000097018927 185152748 /nfs/dbraw/zinc/15/27/48/185152748.db2.gz OUHYVUXJEVGGCB-UHFFFAOYSA-N -1 0 274.276 2.253 50 0 CEAARM Cc1cccc(C[C@H](CNC(=O)C2CC=CC2)C(=O)[O-])c1 ZINC000097018790 185153113 /nfs/dbraw/zinc/15/31/13/185153113.db2.gz VNWHIFIADNKJEY-OAHLLOKOSA-N -1 0 287.359 2.321 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)C1CCCCCC1)C1CC1 ZINC000097022292 185153657 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362807258 /nfs/dbraw/zinc/80/72/58/362807258.db2.gz XTKMOZYKMZFLGP-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM CCc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000128513667 187375573 /nfs/dbraw/zinc/37/55/73/187375573.db2.gz NRTMJXAEKXUOSR-SNVBAGLBSA-N -1 0 265.309 2.087 50 0 CEAARM CC(C)(CC1CCOCC1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000128532673 187376468 /nfs/dbraw/zinc/37/64/68/187376468.db2.gz AUYQEXNPTSCWGD-ZDUSSCGKSA-N -1 0 297.395 2.153 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)c2ccncc2Cl)c1 ZINC000091449268 180157444 /nfs/dbraw/zinc/15/74/44/180157444.db2.gz WYMHNKRWZKIQAO-UHFFFAOYSA-N -1 0 290.706 2.363 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237563 180349654 /nfs/dbraw/zinc/34/96/54/180349654.db2.gz NJAVIKMRZSCAMO-LLVKDONJSA-N -1 0 279.361 2.199 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CC2=CCCCC2)C1 ZINC000110534694 186301529 /nfs/dbraw/zinc/30/15/29/186301529.db2.gz CGPMDCZBTATULA-CQSZACIVSA-N -1 0 251.326 2.200 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CC2=CCCCC2)C1 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ZINC000013112092 361419449 /nfs/dbraw/zinc/41/94/49/361419449.db2.gz MLJPYQSZIKMBSW-UHFFFAOYSA-N -1 0 262.334 2.178 50 0 CEAARM O=C([O-])c1cccc(F)c1NS(=O)(=O)c1ccccc1 ZINC000016623874 361494073 /nfs/dbraw/zinc/49/40/73/361494073.db2.gz NJFBILBXADLOJW-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC(C)(C)C ZINC000014371619 361456913 /nfs/dbraw/zinc/45/69/13/361456913.db2.gz CVQWBIYLQZGRJD-UHFFFAOYSA-N -1 0 293.392 2.379 50 0 CEAARM CC[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000019258131 361523012 /nfs/dbraw/zinc/52/30/12/361523012.db2.gz HQVGCMKPDWKAJU-IINYFYTJSA-N -1 0 288.347 2.326 50 0 CEAARM O=C([O-])C1(NC(=O)c2cc(F)ccc2F)CCCCC1 ZINC000019503537 361538902 /nfs/dbraw/zinc/53/89/02/361538902.db2.gz DLNKMGODXQHLTC-UHFFFAOYSA-N -1 0 283.274 2.482 50 0 CEAARM Cn1ccnc1Sc1ncc(C(=O)[O-])cc1Cl ZINC000019845390 361560818 /nfs/dbraw/zinc/56/08/18/361560818.db2.gz CHGUNXIJCXSEBT-UHFFFAOYSA-N -1 0 269.713 2.318 50 0 CEAARM CC(C)(C)NC(=O)Cn1cc(CC(=O)[O-])c2ccccc21 ZINC000020074471 361577258 /nfs/dbraw/zinc/57/72/58/361577258.db2.gz CKFGZTDAGJUZRH-UHFFFAOYSA-N -1 0 288.347 2.183 50 0 CEAARM COc1cc(-c2cc(C(=O)[O-])no2)cc(OC)c1OC ZINC000026420305 361639998 /nfs/dbraw/zinc/63/99/98/361639998.db2.gz UYIOCOCCSKXONZ-UHFFFAOYSA-N -1 0 279.248 2.066 50 0 CEAARM Cc1occc1C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000087622746 363863685 /nfs/dbraw/zinc/86/36/85/363863685.db2.gz AREQVRJIVBFRTD-UHFFFAOYSA-N -1 0 253.298 2.207 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@]2(CC2(F)F)C[C@H]1C(=O)[O-] ZINC000086032376 363837496 /nfs/dbraw/zinc/83/74/96/363837496.db2.gz OXXSWURHJYLTIL-CPCISQLKSA-N -1 0 277.267 2.106 50 0 CEAARM O=C([O-])CCN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000089813498 364006543 /nfs/dbraw/zinc/00/65/43/364006543.db2.gz QHAOAGNLUCNLOQ-GFCCVEGCSA-N -1 0 269.728 2.188 50 0 CEAARM CCC[C@H](NC(=O)c1cc(C)ccc1C)c1nnn[n-]1 ZINC000089949627 364022718 /nfs/dbraw/zinc/02/27/18/364022718.db2.gz RICIZEXBXKOBRZ-LBPRGKRZSA-N -1 0 273.340 2.088 50 0 CEAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000237226642 370703148 /nfs/dbraw/zinc/70/31/48/370703148.db2.gz WCFTZHYPFNZNKV-OLZOCXBDSA-N -1 0 261.321 2.032 50 0 CEAARM COc1cccc(Cl)c1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237265260 370705087 /nfs/dbraw/zinc/70/50/87/370705087.db2.gz XVVFRKBEKPEXJA-CQSZACIVSA-N -1 0 297.738 2.285 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000237971022 370762582 /nfs/dbraw/zinc/76/25/82/370762582.db2.gz UNCBTGTWZYTVTP-NXEZZACHSA-N -1 0 283.274 2.049 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccc(F)c(F)c2)C1 ZINC000237955883 370762728 /nfs/dbraw/zinc/76/27/28/370762728.db2.gz ITJTWUYOFRUEPR-NSHDSACASA-N -1 0 297.301 2.221 50 0 CEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238174062 370772534 /nfs/dbraw/zinc/77/25/34/370772534.db2.gz XAKXJAMLKRVHAE-JGVFFNPUSA-N -1 0 285.702 2.174 50 0 CEAARM Cc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])o1 ZINC000095464008 364387252 /nfs/dbraw/zinc/38/72/52/364387252.db2.gz 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/nfs/dbraw/zinc/42/91/31/364429131.db2.gz HPOBXDPNXBDQFO-UWVGGRQHSA-N -1 0 265.309 2.134 50 0 CEAARM CCc1cc(C)c(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000097039357 364429259 /nfs/dbraw/zinc/42/92/59/364429259.db2.gz HPOBXDPNXBDQFO-NXEZZACHSA-N -1 0 265.309 2.134 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000097228506 364481143 /nfs/dbraw/zinc/48/11/43/364481143.db2.gz LPKFASHKALFZMJ-CHWSQXEVSA-N -1 0 279.311 2.252 50 0 CEAARM Cc1ccc(CCC(=O)N[C@H](C)CC(=O)[O-])c(C)c1 ZINC000097228672 364481222 /nfs/dbraw/zinc/48/12/22/364481222.db2.gz ODGVGYICRGIYAE-GFCCVEGCSA-N -1 0 263.337 2.215 50 0 CEAARM CSc1cccc(CN2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000097759376 364519689 /nfs/dbraw/zinc/51/96/89/364519689.db2.gz RSXKNVNDHQFMGS-LBPRGKRZSA-N -1 0 281.377 2.084 50 0 CEAARM O=C([O-])[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000000002279 304129668 /nfs/dbraw/zinc/12/96/68/304129668.db2.gz OZWKMVRBQXNZKK-LLVKDONJSA-N -1 0 255.273 2.291 50 0 fda CEAARM Cn1nncc1/C=C/c1ccc2cc(C(=O)[O-])ccc2n1 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/nfs/dbraw/zinc/65/32/01/533653201.db2.gz NGFOFLWKXJECMV-ZETCQYMHSA-N -1 0 293.797 2.338 50 0 CEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(F)c(Cl)c1 ZINC000211162249 130751739 /nfs/dbraw/zinc/75/17/39/130751739.db2.gz CTDBPCOZGZQFSK-LURJTMIESA-N -1 0 259.664 2.024 50 0 CEAARM CCOc1ccccc1/C=C\C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000103502887 394716196 /nfs/dbraw/zinc/71/61/96/394716196.db2.gz SCVBKTKYKFULER-XPSMFNQNSA-N -1 0 289.331 2.174 50 0 CEAARM C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccco1 ZINC000104281730 400260788 /nfs/dbraw/zinc/26/07/88/400260788.db2.gz SLEQFEPJXYRDTK-AXFHLTTASA-N -1 0 265.309 2.348 50 0 CEAARM C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000239235720 296665503 /nfs/dbraw/zinc/66/55/03/296665503.db2.gz WOFONWUCBAKESQ-ICCXJUOJSA-N -1 0 287.315 2.310 50 0 CEAARM Cc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cn1 ZINC000262138743 153917231 /nfs/dbraw/zinc/91/72/31/153917231.db2.gz JOUWSRZKYNPULD-CQSZACIVSA-N -1 0 290.363 2.178 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1cscn1 ZINC000262166097 153921415 /nfs/dbraw/zinc/92/14/15/153921415.db2.gz DIDUMXIWZCVAGA-GFCCVEGCSA-N -1 0 296.392 2.322 50 0 CEAARM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263042518 154009841 /nfs/dbraw/zinc/00/98/41/154009841.db2.gz DDMDOVCKCCUFGS-UONOGXRCSA-N -1 0 291.347 2.228 50 0 CEAARM C[C@]1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1(F)F ZINC000263095554 154017973 /nfs/dbraw/zinc/01/79/73/154017973.db2.gz CLKUATWZUWTKSN-JOYOIKCWSA-N -1 0 275.295 2.135 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc(C(C)(C)C)cn1)C1CC1 ZINC000263216256 154036270 /nfs/dbraw/zinc/03/62/70/154036270.db2.gz OELCQZAUODVWMK-SNVBAGLBSA-N -1 0 290.363 2.457 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)cc1Cl ZINC000263528207 154115993 /nfs/dbraw/zinc/11/59/93/154115993.db2.gz LCVMWAQNGLAPIU-PWSUYJOCSA-N -1 0 299.729 2.391 50 0 CEAARM O=C([O-])C1(CNC(=O)C2CCCCCCC2)CCOCC1 ZINC000165929589 162348134 /nfs/dbraw/zinc/34/81/34/162348134.db2.gz KCYRYJDUWWYSTI-UHFFFAOYSA-N -1 0 297.395 2.345 50 0 CEAARM O=C([O-])c1cc(Br)ccc1NC(=O)C1CC1 ZINC000004824082 170023915 /nfs/dbraw/zinc/02/39/15/170023915.db2.gz AKDQATMQWYORNA-UHFFFAOYSA-N -1 0 284.109 2.496 50 0 CEAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccon2)c1 ZINC000006502359 170207754 /nfs/dbraw/zinc/20/77/54/170207754.db2.gz KDBMWHQSLHGZCM-UHFFFAOYSA-N -1 0 252.295 2.092 50 0 CEAARM O=C([O-])c1ccc(NC(=O)c2ccccc2F)cc1O ZINC000006703102 170230375 /nfs/dbraw/zinc/23/03/75/170230375.db2.gz YLLKEPINQNFRLS-UHFFFAOYSA-N -1 0 275.235 2.482 50 0 CEAARM COc1ccc(-c2nnc(SCCC(=O)[O-])o2)cc1 ZINC000006746468 170239418 /nfs/dbraw/zinc/23/94/18/170239418.db2.gz WZKUVLBCMYBUKG-UHFFFAOYSA-N -1 0 280.305 2.312 50 0 CEAARM O=C([O-])CCC(=O)n1ncc2c1cccc2Cl ZINC000006750011 170239652 /nfs/dbraw/zinc/23/96/52/170239652.db2.gz YADFRVGVCZATRV-UHFFFAOYSA-N -1 0 252.657 2.195 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1cccc(CO)c1 ZINC000006847355 170248534 /nfs/dbraw/zinc/24/85/34/170248534.db2.gz PRXJUYLDTLEVJT-OAHLLOKOSA-N -1 0 279.336 2.399 50 0 CEAARM O=C([O-])CCCCCNC(=O)COc1ccccc1Cl ZINC000007778003 170301770 /nfs/dbraw/zinc/30/17/70/170301770.db2.gz LIDLMYUKXKGRHK-UHFFFAOYSA-N -1 0 299.754 2.480 50 0 CEAARM CC(=O)N[C@H](CSc1ccc(Cl)cc1)C(=O)[O-] ZINC000008729902 170350856 /nfs/dbraw/zinc/35/08/56/170350856.db2.gz NYIHHVVSWNGRAJ-SNVBAGLBSA-N -1 0 273.741 2.021 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000008991941 170361116 /nfs/dbraw/zinc/36/11/16/170361116.db2.gz LXZFFMMSVXBBNB-GFCCVEGCSA-N -1 0 272.304 2.105 50 0 CEAARM COc1ccc2nc(C)cc(SC[C@H](O)C(=O)[O-])c2c1 ZINC000013689883 170579237 /nfs/dbraw/zinc/57/92/37/170579237.db2.gz VJRBDDJVJZUHLQ-LBPRGKRZSA-N -1 0 293.344 2.089 50 0 CEAARM Cn1cc(C(=O)[O-])c(C(=O)NC(C)(C)CC(C)(C)C)n1 ZINC000020616096 171267829 /nfs/dbraw/zinc/26/78/29/171267829.db2.gz GYDMVSNDKVMODB-UHFFFAOYSA-N -1 0 281.356 2.063 50 0 CEAARM CCC(CC)(CC(=O)Nc1cccc(CO)c1)C(=O)[O-] ZINC000022729602 171396829 /nfs/dbraw/zinc/39/68/29/171396829.db2.gz LZJWECCBVNWYPW-UHFFFAOYSA-N -1 0 279.336 2.399 50 0 CEAARM CC[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000004992673 287273759 /nfs/dbraw/zinc/27/37/59/287273759.db2.gz LIDGVFDRTAXEDB-VDTYLAMSSA-N -1 0 263.219 2.279 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2c[nH]c3ccccc23)CCCC1 ZINC000037329834 173131445 /nfs/dbraw/zinc/13/14/45/173131445.db2.gz GYHIPQRVHMZRBM-UHFFFAOYSA-N -1 0 286.331 2.224 50 0 CEAARM CC(C)[C@H](NC(=O)/C=C/c1cccc(F)c1)C(=O)[O-] ZINC000037407733 173183957 /nfs/dbraw/zinc/18/39/57/173183957.db2.gz ZWJMNBBBIVPBFZ-YBJDMEARSA-N -1 0 265.284 2.064 50 0 CEAARM CC(C)Oc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000037409960 173185921 /nfs/dbraw/zinc/18/59/21/173185921.db2.gz JNBLNODXEQJKSP-UHFFFAOYSA-N -1 0 265.309 2.068 50 0 CEAARM CCOc1ccccc1/C=C/C(=O)NCCCC(=O)[O-] ZINC000037410035 173186415 /nfs/dbraw/zinc/18/64/15/173186415.db2.gz DQYRAKAIXSLHMN-MDZDMXLPSA-N -1 0 277.320 2.080 50 0 CEAARM CCCCCC(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000038059770 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COc1ccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013091861 361418589 /nfs/dbraw/zinc/41/85/89/361418589.db2.gz ZDMXMSIHXDAVFR-UHFFFAOYSA-N -1 0 299.326 2.252 50 0 CEAARM Cc1cc(Br)c2[nH]c(=O)cc(C(=O)[O-])c2c1 ZINC000015856608 361480771 /nfs/dbraw/zinc/48/07/71/361480771.db2.gz SEVXYEPJPCTVEF-UHFFFAOYSA-N -1 0 282.093 2.297 50 0 CEAARM O=C([O-])c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000019264757 361523796 /nfs/dbraw/zinc/52/37/96/361523796.db2.gz SDFKTGIILHNYDY-AWEZNQCLSA-N -1 0 283.283 2.327 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000019269371 361524522 /nfs/dbraw/zinc/52/45/22/361524522.db2.gz LCWJZPXKKPAQRB-UHFFFAOYSA-N -1 0 285.702 2.416 50 0 CEAARM CCOc1ccc(/C=C2\NC(=O)[N-]C2=O)c2ccccc12 ZINC000016689340 361496170 /nfs/dbraw/zinc/49/61/70/361496170.db2.gz WVHBMDRDOUOVOE-LCYFTJDESA-N -1 0 282.299 2.419 50 0 CEAARM O=C([O-])CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O ZINC000019770127 361550945 /nfs/dbraw/zinc/55/09/45/361550945.db2.gz XFDBEMSTSLPPMI-KXBBGWRGSA-N -1 0 289.312 2.364 50 0 CEAARM Cc1ncsc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000019410811 361532194 /nfs/dbraw/zinc/53/21/94/361532194.db2.gz XDVOQRZJLGDTKS-UHFFFAOYSA-N -1 0 276.317 2.426 50 0 CEAARM O=C([O-])/C=C\C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000031723481 361717069 /nfs/dbraw/zinc/71/70/69/361717069.db2.gz XHTHMZFBLNIKJC-PLNGDYQASA-N -1 0 259.183 2.285 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000037436123 304109882 /nfs/dbraw/zinc/10/98/82/304109882.db2.gz KLILGHRYFPJGRS-HIFRSBDPSA-N -1 0 287.359 2.430 50 0 CEAARM CCC[C@@](C)(NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000088832584 363924722 /nfs/dbraw/zinc/92/47/22/363924722.db2.gz FKOUBTRFAOGZLD-SECBINFHSA-N -1 0 255.236 2.089 50 0 CEAARM C[C@@H](CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1F ZINC000089894500 364014448 /nfs/dbraw/zinc/01/44/48/364014448.db2.gz OJTAVTAOOJIPLE-BONVTDFDSA-N -1 0 297.301 2.345 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000091304128 364069903 /nfs/dbraw/zinc/06/99/03/364069903.db2.gz MNUNPDQAOUQRMY-RNCFNFMXSA-N -1 0 255.314 2.108 50 0 CEAARM C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000237337610 370712094 /nfs/dbraw/zinc/71/20/94/370712094.db2.gz BQDOSHIMJGYUHK-CMPLNLGQSA-N -1 0 279.311 2.252 50 0 CEAARM Cc1ccsc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237377069 370716242 /nfs/dbraw/zinc/71/62/42/370716242.db2.gz KOPPPHYPRNCCIF-SECBINFHSA-N -1 0 267.350 2.382 50 0 CEAARM C[C@@H](CN(C(=O)Cc1ccccc1F)C1CC1)C(=O)[O-] ZINC000237444329 370721150 /nfs/dbraw/zinc/72/11/50/370721150.db2.gz UBKPPGJNQBXNFD-JTQLQIEISA-N -1 0 279.311 2.080 50 0 CEAARM C[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1cccs1 ZINC000237458769 370722789 /nfs/dbraw/zinc/72/27/89/370722789.db2.gz PDDGCUPVCJHUAN-RNCFNFMXSA-N -1 0 267.350 2.175 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1(C(=O)[O-])CCC1 ZINC000237632440 370740007 /nfs/dbraw/zinc/74/00/07/370740007.db2.gz IXTGTVBHSZODGE-STQMWFEESA-N -1 0 273.332 2.222 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000237642604 370741621 /nfs/dbraw/zinc/74/16/21/370741621.db2.gz WTGDQXFVJJMYIG-OAHLLOKOSA-N -1 0 291.322 2.181 50 0 CEAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CC1 ZINC000237677442 370743829 /nfs/dbraw/zinc/74/38/29/370743829.db2.gz BDXSDLCJGWHRIG-KGLIPLIRSA-N -1 0 273.332 2.174 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(F)cc1Cl ZINC000238069851 370769542 /nfs/dbraw/zinc/76/95/42/370769542.db2.gz QLKGQGAHFGSNNJ-LLVKDONJSA-N -1 0 285.702 2.097 50 0 CEAARM Cc1cscc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000094246304 364262527 /nfs/dbraw/zinc/26/25/27/364262527.db2.gz LAJXEJRFSANOOM-CYBMUJFWSA-N -1 0 289.356 2.482 50 0 CEAARM CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1(C)C ZINC000095884109 364393599 /nfs/dbraw/zinc/39/35/99/364393599.db2.gz VTFQKTAQTXZWSV-LKFCYVNXSA-N -1 0 287.356 2.170 50 0 CEAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000095946492 364394848 /nfs/dbraw/zinc/39/48/48/364394848.db2.gz HXIDJHXBOPLOGY-FTGAXOIBSA-N -1 0 299.367 2.170 50 0 CEAARM 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50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000037410702 173187471 /nfs/dbraw/zinc/18/74/71/173187471.db2.gz RCWIFFBYMLCCMI-SBDDDAINSA-N -1 0 277.295 2.305 50 0 CEAARM COc1ccccc1/C=C/C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037410710 173187687 /nfs/dbraw/zinc/18/76/87/173187687.db2.gz INFWFBNUILNYEJ-WTNCMQEWSA-N -1 0 289.331 2.174 50 0 CEAARM CCc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])sc1C ZINC000037415955 173192504 /nfs/dbraw/zinc/19/25/04/173192504.db2.gz OOOSETDBIUIFPI-SNVBAGLBSA-N -1 0 267.350 2.308 50 0 CEAARM O=C([O-])C1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000037433320 173204049 /nfs/dbraw/zinc/20/40/49/173204049.db2.gz OITGDJWRXDMHHU-UHFFFAOYSA-N -1 0 287.359 2.432 50 0 CEAARM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)nc1 ZINC000039971448 174180182 /nfs/dbraw/zinc/18/01/82/174180182.db2.gz PAYMZLQKYPPINK-UHFFFAOYSA-N -1 0 282.752 2.266 50 0 CEAARM CCn1cnnc1-c1cc(C(=O)c2ccccc2[O-])c[nH]1 ZINC000040555689 174330883 /nfs/dbraw/zinc/33/08/83/174330883.db2.gz FDWXSGHUYGKIQD-UHFFFAOYSA-N -1 0 282.303 2.230 50 0 CEAARM CN(Cc1cn[nH]c1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073676070 414776188 /nfs/dbraw/zinc/77/61/88/414776188.db2.gz FZPGGQDGKNDJEE-UHFFFAOYSA-N -1 0 288.332 2.486 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000043583295 175070661 /nfs/dbraw/zinc/07/06/61/175070661.db2.gz GCWZWPJQUQXMRQ-LBPRGKRZSA-N -1 0 293.338 2.472 50 0 CEAARM Cc1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000043584215 175070934 /nfs/dbraw/zinc/07/09/34/175070934.db2.gz HOYVAMSLIOBECK-NSHDSACASA-N -1 0 296.392 2.477 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000043589680 175073515 /nfs/dbraw/zinc/07/35/15/175073515.db2.gz BEZVXZHCYLOZTC-NSHDSACASA-N -1 0 265.309 2.305 50 0 CEAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])[nH]n2)cc1 ZINC000045948732 175388503 /nfs/dbraw/zinc/38/85/03/175388503.db2.gz LPVPXCHDUVOXCE-CQSZACIVSA-N -1 0 299.330 2.074 50 0 CEAARM Cc1cc(-n2nnc(C(=O)[O-])c2-c2ccncc2)ccc1F ZINC000065288257 175707729 /nfs/dbraw/zinc/70/77/29/175707729.db2.gz 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/nfs/dbraw/zinc/33/72/31/176337231.db2.gz ZTZFSUWOLAYZPS-ZYHUDNBSSA-N -1 0 275.304 2.182 50 0 CEAARM CC(=O)N1CCC[C@@H]1c1cc(CCC(=O)[O-])cc(C)n1 ZINC000072344311 176373125 /nfs/dbraw/zinc/37/31/25/176373125.db2.gz FNSJKWVENGXLFG-CQSZACIVSA-N -1 0 276.336 2.091 50 0 CEAARM CC(=O)c1ccc(NC(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000076360126 177001710 /nfs/dbraw/zinc/00/17/10/177001710.db2.gz VTHZHWYVHZIECS-UHFFFAOYSA-N -1 0 263.293 2.329 50 0 CEAARM COc1nccc(C(=O)[O-])c1NC(=O)OC(C)(C)C ZINC000077011295 177146613 /nfs/dbraw/zinc/14/66/13/177146613.db2.gz IYOAARLPVFRFHQ-UHFFFAOYSA-N -1 0 268.269 2.135 50 0 CEAARM CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000012647877 260063208 /nfs/dbraw/zinc/06/32/08/260063208.db2.gz PZUQNQCQELEZKE-SNVBAGLBSA-N -1 0 286.125 2.101 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](C(=O)[O-])CO2)CC1 ZINC000095743347 278397487 /nfs/dbraw/zinc/39/74/87/278397487.db2.gz YJHNZBKIHLXQFG-XHDPSFHLSA-N -1 0 299.367 2.267 50 0 CEAARM CC(C)(C)c1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000016712023 278561461 /nfs/dbraw/zinc/56/14/61/278561461.db2.gz QWLMUXOBFSXBJL-CQSZACIVSA-N -1 0 277.364 2.442 50 0 CEAARM CC(C)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000000546289 279186234 /nfs/dbraw/zinc/18/62/34/279186234.db2.gz DDYBXINYRTUYJT-WOPDTQHZSA-N -1 0 270.373 2.364 50 0 CEAARM CC1(C)c2ccccc2-n2c1cc1oc(=O)cc([O-])c1c2=O ZINC000015923715 281545273 /nfs/dbraw/zinc/54/52/73/281545273.db2.gz FWVULZVPJPVTMT-UHFFFAOYSA-N -1 0 295.294 2.289 50 0 CEAARM COc1ccc(-c2c(C)nn(C)c2C)c(C(=O)[O-])c1 ZINC000005212038 295045289 /nfs/dbraw/zinc/04/52/89/295045289.db2.gz TUKQPRWMZYZWIM-UHFFFAOYSA-N -1 0 260.293 2.411 50 0 CEAARM COc1ccc(-c2cc(C(=O)[O-])n3nc(C)cc3n2)cc1 ZINC000013645797 295046121 /nfs/dbraw/zinc/04/61/21/295046121.db2.gz ZBNOGUHCSBIXIP-UHFFFAOYSA-N -1 0 283.287 2.412 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000237656134 297882533 /nfs/dbraw/zinc/88/25/33/297882533.db2.gz JSCLDBUHWJRLDY-OAHLLOKOSA-N -1 0 290.294 2.244 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000237442777 298753508 /nfs/dbraw/zinc/75/35/08/298753508.db2.gz XKCMHVBPTAHKAI-GGZOMVNGSA-N -1 0 281.739 2.280 50 0 CEAARM C[C@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000004164783 300856180 /nfs/dbraw/zinc/85/61/80/300856180.db2.gz LNCSDWDMZZWUBD-UNCUULHNSA-N -1 0 297.310 2.086 50 0 CEAARM O=Cc1c([O-])c2cc(Br)ccc2oc1=O ZINC000002583695 304724677 /nfs/dbraw/zinc/72/46/77/304724677.db2.gz QDZUGVPQHMKMBU-UHFFFAOYSA-N -1 0 269.050 2.074 50 0 CEAARM Cc1cc(C)cc(-n2cc(C(=O)[O-])c(=O)cc2C)c1 ZINC000020365561 301214780 /nfs/dbraw/zinc/21/47/80/301214780.db2.gz IUIVPMSEAZGXTC-UHFFFAOYSA-N -1 0 257.289 2.461 50 0 CEAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000071731222 301494566 /nfs/dbraw/zinc/49/45/66/301494566.db2.gz CVZKYIIPWFBHGQ-CQSZACIVSA-N -1 0 291.347 2.091 50 0 CEAARM Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)[O-])cc1 ZINC000074941953 301631384 /nfs/dbraw/zinc/63/13/84/301631384.db2.gz 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/nfs/dbraw/zinc/33/01/02/328330102.db2.gz QSUHKFPBGZTSNC-UHFFFAOYSA-N -1 0 264.256 2.091 50 0 CEAARM CCCc1occc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262943921 535570065 /nfs/dbraw/zinc/57/00/65/535570065.db2.gz MIKRTNOHEQLUBF-SNVBAGLBSA-N -1 0 265.309 2.311 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])nc2ccccc12 ZINC000155801943 526250757 /nfs/dbraw/zinc/25/07/57/526250757.db2.gz FSTQMOJUHJJTCY-AWEZNQCLSA-N -1 0 284.315 2.232 50 0 CEAARM CCC[C@@](C)(NC(=O)CCc1ccc(C)o1)C(=O)[O-] ZINC000096479977 527896167 /nfs/dbraw/zinc/89/61/67/527896167.db2.gz STCCOFBFSNENPW-CQSZACIVSA-N -1 0 267.325 2.280 50 0 CEAARM C/C(=C/C(=O)NCCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000097039237 604584761 /nfs/dbraw/zinc/58/47/61/604584761.db2.gz KFSRZKMCLOOJFR-LUAWRHEFSA-N -1 0 273.332 2.400 50 0 CEAARM COc1ccc(F)cc1-n1cc(CCC(=O)[O-])cn1 ZINC000067982348 813120805 /nfs/dbraw/zinc/12/08/05/813120805.db2.gz BBHNNNPRTOFICF-UHFFFAOYSA-N -1 0 264.256 2.037 50 0 CEAARM O=C([O-])CNC(=O)N(CCc1ccccc1)C1CCCC1 ZINC000426653026 230425435 /nfs/dbraw/zinc/42/54/35/230425435.db2.gz WKHSILUOHNZMAM-UHFFFAOYSA-N -1 0 290.363 2.268 50 0 CEAARM O=C([O-])CCCC(=O)Nc1cc(Br)ccn1 ZINC000095946317 185038097 /nfs/dbraw/zinc/03/80/97/185038097.db2.gz WDSOBKRUJKNSMN-UHFFFAOYSA-N -1 0 287.113 2.038 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)c2cccs2)c1 ZINC000095953334 185041132 /nfs/dbraw/zinc/04/11/32/185041132.db2.gz YBTXQLRCGCDKSN-UHFFFAOYSA-N -1 0 275.329 2.419 50 0 CEAARM C[C@@H](Cc1ccccc1)C(=O)N(C)CCCC(=O)[O-] ZINC000095969618 185047955 /nfs/dbraw/zinc/04/79/55/185047955.db2.gz MDQODMGVYNRBRD-LBPRGKRZSA-N -1 0 263.337 2.188 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC000095991998 185058737 /nfs/dbraw/zinc/05/87/37/185058737.db2.gz KWYGXNMFSSWYBD-JQWIXIFHSA-N -1 0 297.301 2.267 50 0 CEAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)c(C)c1F ZINC000096008374 185063923 /nfs/dbraw/zinc/06/39/23/185063923.db2.gz OSYIGWWNUGGDFW-UHFFFAOYSA-N -1 0 296.323 2.339 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)CCOc1ccccc1C)C(=O)[O-] ZINC000033444325 361781222 /nfs/dbraw/zinc/78/12/22/361781222.db2.gz LPHNHZXDIGOWHP-NHYWBVRUSA-N -1 0 293.363 2.379 50 0 CEAARM CCc1onc(C(=O)[O-])c1Cc1c(C)noc1C ZINC000034925042 361795938 /nfs/dbraw/zinc/79/59/38/361795938.db2.gz DPORKVGKYHVVCP-UHFFFAOYSA-N -1 0 250.254 2.131 50 0 CEAARM O=C([O-])CN(C(=O)CCc1ccccc1Cl)C1CC1 ZINC000037588838 361907084 /nfs/dbraw/zinc/90/70/84/361907084.db2.gz FXKZBDBCCINRCT-UHFFFAOYSA-N -1 0 281.739 2.348 50 0 CEAARM Cc1ccc(C)c(CC(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000097009474 185151744 /nfs/dbraw/zinc/15/17/44/185151744.db2.gz YNOYUSFVCMWOPG-TZMCWYRMSA-N -1 0 275.348 2.215 50 0 CEAARM CC(C)=CC(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000097018840 185153038 /nfs/dbraw/zinc/15/30/38/185153038.db2.gz OSQVJYODUIDZEA-CQSZACIVSA-N -1 0 275.348 2.321 50 0 CEAARM CC(C)=CC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000097032921 185156638 /nfs/dbraw/zinc/15/66/38/185156638.db2.gz MZVJZOCMISKQNP-NSHDSACASA-N -1 0 253.342 2.302 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)Cc1ccco1 ZINC000037827643 361952798 /nfs/dbraw/zinc/95/27/98/361952798.db2.gz MEJXQJUXNZRRIK-CHWSQXEVSA-N -1 0 289.287 2.122 50 0 CEAARM COc1ccc(/C=C/C(=O)N(CC(=O)[O-])C(C)C)cc1F ZINC000037994131 361975408 /nfs/dbraw/zinc/97/54/08/361975408.db2.gz BHKDKXXXLRBOMS-FNORWQNLSA-N -1 0 295.310 2.169 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC000685944621 539307236 /nfs/dbraw/zinc/30/72/36/539307236.db2.gz HUSBQXHKJWYUCP-UHFFFAOYSA-N -1 0 299.367 2.003 50 0 CEAARM COc1ccc(/C=C(\C#N)C(=O)[O-])c(Cl)c1O ZINC000048534555 343530683 /nfs/dbraw/zinc/53/06/83/343530683.db2.gz VDTIGUPXBLXQRQ-QPJJXVBHSA-N -1 0 253.641 2.046 50 0 CEAARM Cc1onc(N)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000075490647 343854210 /nfs/dbraw/zinc/85/42/10/343854210.db2.gz JFTMEPCILAMDRC-UHFFFAOYSA-N -1 0 287.728 2.019 50 0 CEAARM COc1ccccc1-c1cc(C(=O)[O-])cc(-n2cnnn2)c1 ZINC000118289127 344291291 /nfs/dbraw/zinc/29/12/91/344291291.db2.gz VKXVHPMZLRZGTK-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM Cc1nn(-c2ccc(C)nn2)c2sc(C(=O)[O-])cc12 ZINC000049961083 362387757 /nfs/dbraw/zinc/38/77/57/362387757.db2.gz RRYLMYCIUKGPCW-UHFFFAOYSA-N -1 0 274.305 2.192 50 0 CEAARM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C(=O)[O-])C2 ZINC000142505319 344403777 /nfs/dbraw/zinc/40/37/77/344403777.db2.gz HKXICUDOIXLKLJ-ILWJIGKKSA-N -1 0 255.314 2.249 50 0 CEAARM O=C([O-])c1ccc(/C=C\C(=O)N2CCCCC2)cc1 ZINC000198843307 344526508 /nfs/dbraw/zinc/52/65/08/344526508.db2.gz YYRGJXCHYUIMMW-TWGQIWQCSA-N -1 0 259.305 2.411 50 0 CEAARM CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000054334017 362529020 /nfs/dbraw/zinc/52/90/20/362529020.db2.gz DCBUCCCOUHGVKO-MNOVXSKESA-N -1 0 299.392 2.199 50 0 CEAARM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062118383 362708692 /nfs/dbraw/zinc/70/86/92/362708692.db2.gz DAXJLMQRRHNXAG-VHSXEESVSA-N -1 0 297.738 2.040 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC000062117941 362709284 /nfs/dbraw/zinc/70/92/84/362709284.db2.gz ORFGZLCUOZXBHJ-HNNXBMFYSA-N -1 0 287.359 2.041 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000091500371 180174598 /nfs/dbraw/zinc/17/45/98/180174598.db2.gz PTIRSCFJBNBZIX-NWDGAFQWSA-N -1 0 272.304 2.151 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000091500374 180174827 /nfs/dbraw/zinc/17/48/27/180174827.db2.gz PTIRSCFJBNBZIX-NEPJUHHUSA-N -1 0 272.304 2.151 50 0 CEAARM CSCC(=O)N1CCC[C@](CC=C(C)C)(C(=O)[O-])C1 ZINC000091770343 180249151 /nfs/dbraw/zinc/24/91/51/180249151.db2.gz HZZWUAWUNQSPOY-CQSZACIVSA-N -1 0 285.409 2.399 50 0 CEAARM Cc1c(-c2c(-c3ccccc3)ncn2CC(=O)[O-])cnn1C ZINC000091745777 180245054 /nfs/dbraw/zinc/24/50/54/180245054.db2.gz BPCHBDAVJDYUOJ-UHFFFAOYSA-N -1 0 296.330 2.344 50 0 CEAARM Cc1ccc(NC(=O)/C=C/c2cnn(C)c2)cc1C(=O)[O-] ZINC000106426696 186116702 /nfs/dbraw/zinc/11/67/02/186116702.db2.gz ULRVYXLNZBXQEV-GQCTYLIASA-N -1 0 285.303 2.079 50 0 CEAARM O=C([O-])CCCCCCNC(=O)CC[C@H]1CCCCO1 ZINC000069385174 362963744 /nfs/dbraw/zinc/96/37/44/362963744.db2.gz NYANIQRIORCBNX-CYBMUJFWSA-N -1 0 285.384 2.487 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccccc2F)C1 ZINC000108655164 186225746 /nfs/dbraw/zinc/22/57/46/186225746.db2.gz QOFGKDNEDFUDLR-WDEREUQCSA-N -1 0 279.311 2.333 50 0 CEAARM Cc1cc(=NC(=O)N2CCCC(F)(F)CC2)[n-]nc1C ZINC000626385647 350718109 /nfs/dbraw/zinc/71/81/09/350718109.db2.gz RCOZONQIPWTZTG-UHFFFAOYSA-N -1 0 284.310 2.168 50 0 CEAARM COC1CC(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)C1 ZINC000630162874 351645013 /nfs/dbraw/zinc/64/50/13/351645013.db2.gz QKDSQVZMIHFQTB-PWQPVHBWSA-N -1 0 291.347 2.313 50 0 CEAARM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(F)cc1 ZINC000071731479 363110573 /nfs/dbraw/zinc/11/05/73/363110573.db2.gz ZKSNOGIGJIFMGD-UHFFFAOYSA-N -1 0 267.300 2.399 50 0 CEAARM Cc1[nH]cnc1-c1nccn1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000071775891 363113710 /nfs/dbraw/zinc/11/37/10/363113710.db2.gz HADSHKFZUFWJHP-CYBMUJFWSA-N -1 0 296.330 2.450 50 0 CEAARM CC1(C)S[C@H](c2c[nH]c3ncccc23)N[C@H]1C(=O)[O-] ZINC000074941369 363424702 /nfs/dbraw/zinc/42/47/02/363424702.db2.gz RMXOQQIJQMPKJR-GXSJLCMTSA-N -1 0 277.349 2.130 50 0 CEAARM COc1ccc(Cl)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC000076310803 363537192 /nfs/dbraw/zinc/53/71/92/363537192.db2.gz TVFXZWCZAZAVGP-ZCFIWIBFSA-N -1 0 257.673 2.008 50 0 CEAARM O=C([O-])COCC(=O)N(c1ccccc1)c1ccccc1 ZINC000004690000 304070007 /nfs/dbraw/zinc/07/00/07/304070007.db2.gz FWNAAAAIOQVXKZ-UHFFFAOYSA-N -1 0 285.299 2.453 50 0 CEAARM Cc1cc(F)cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000135183845 366405887 /nfs/dbraw/zinc/40/58/87/366405887.db2.gz QUDNSLPCWUXMMM-AWEZNQCLSA-N -1 0 265.284 2.071 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CCC(F)(F)F)C(=O)[O-] ZINC000080937131 363690139 /nfs/dbraw/zinc/69/01/39/363690139.db2.gz YRXRZBPEGLIKRH-LURJTMIESA-N -1 0 271.235 2.307 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000103628 361128860 /nfs/dbraw/zinc/12/88/60/361128860.db2.gz DHSKPZLPOTXSHI-UHFFFAOYSA-N -1 0 277.198 2.389 50 0 CEAARM O=C([O-])c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000000127775 361132183 /nfs/dbraw/zinc/13/21/83/361132183.db2.gz MUQLQGDBYNKRGW-CQSZACIVSA-N -1 0 299.282 2.163 50 0 CEAARM CC(C)(C)OC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000000162522 361137597 /nfs/dbraw/zinc/13/75/97/361137597.db2.gz AZEKNJGFCSHZID-UHFFFAOYSA-N -1 0 257.330 2.402 50 0 CEAARM O=C([O-])CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000191523 361142444 /nfs/dbraw/zinc/14/24/44/361142444.db2.gz UPRCODWHIATPJS-UHFFFAOYSA-N -1 0 283.132 2.242 50 0 CEAARM CN(C)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000215203 361147451 /nfs/dbraw/zinc/14/74/51/361147451.db2.gz JHQKPRATGDLOFY-UONOGXRCSA-N -1 0 288.347 2.358 50 0 CEAARM Cc1cc(=O)oc2cc(OCC(=O)[O-])c(Cl)cc12 ZINC000000278241 361155537 /nfs/dbraw/zinc/15/55/37/361155537.db2.gz ZWRVNXQUKBLRAT-UHFFFAOYSA-N -1 0 268.652 2.218 50 0 CEAARM CC(C)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056759 361122540 /nfs/dbraw/zinc/12/25/40/361122540.db2.gz HCZNPUHZYPPINM-CQSZACIVSA-N -1 0 288.347 2.326 50 0 in-vitro CEAARM C[C@H](Oc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000000074332 361123939 /nfs/dbraw/zinc/12/39/39/361123939.db2.gz NVWNMNYBXVGBEN-LURJTMIESA-N -1 0 250.172 2.437 50 0 CEAARM O=C([N-]S(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000000092216 361126292 /nfs/dbraw/zinc/12/62/92/361126292.db2.gz DLHIWWYTYARFJH-UHFFFAOYSA-N -1 0 295.747 2.459 50 0 CEAARM O=S1(=O)C=C([O-])c2ccccc2N1Cc1ccccc1 ZINC000000092204 361126907 /nfs/dbraw/zinc/12/69/07/361126907.db2.gz PMVMITAPYZEZEW-UHFFFAOYSA-N -1 0 287.340 2.219 50 0 CEAARM COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2O)cc1 ZINC000001429477 361205138 /nfs/dbraw/zinc/20/51/38/361205138.db2.gz VHGWAKOSCCRILD-UHFFFAOYSA-N -1 0 287.271 2.351 50 0 CEAARM CC1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2cccnc2)C1 ZINC000000469404 361178088 /nfs/dbraw/zinc/17/80/88/361178088.db2.gz CGLZHDSKMYSNKR-NEPJUHHUSA-N -1 0 260.293 2.077 50 0 CEAARM O=C([O-])CCC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000000486312 361180167 /nfs/dbraw/zinc/18/01/67/361180167.db2.gz MVYSHOPERMUPBE-GFCCVEGCSA-N -1 0 262.309 2.000 50 0 CEAARM Cc1nc2ccc(NC(=O)/C=C/C(=O)[O-])cc2s1 ZINC000000500575 361181111 /nfs/dbraw/zinc/18/11/11/361181111.db2.gz ONOAFWUYPUABOU-SNAWJCMRSA-N -1 0 262.290 2.184 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1 ZINC000000581099 361187622 /nfs/dbraw/zinc/18/76/22/361187622.db2.gz OXNAPOSJPGMQMO-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM Cc1ccc(-c2csc(NC(=O)CCC(=O)[O-])n2)cc1 ZINC000001466264 361206158 /nfs/dbraw/zinc/20/61/58/361206158.db2.gz WRAIRBZTWKPVPQ-UHFFFAOYSA-N -1 0 290.344 2.344 50 0 CEAARM Nc1c(Cl)cc(Br)cc1C(=O)[O-] ZINC000000348879 361163869 /nfs/dbraw/zinc/16/38/69/361163869.db2.gz WYPQWEYJRBPSKL-UHFFFAOYSA-N -1 0 250.479 2.383 50 0 CEAARM COc1ccc(CN(C(=O)/C=C/C(=O)[O-])C(C)(C)C)cc1 ZINC000002023904 361226343 /nfs/dbraw/zinc/22/63/43/361226343.db2.gz SZZIBDRACMWKHI-MDZDMXLPSA-N -1 0 291.347 2.463 50 0 CEAARM O=C([O-])CCC(=O)OCCCC(F)(F)C(F)(F)F ZINC000002133399 361229104 /nfs/dbraw/zinc/22/91/04/361229104.db2.gz AIVLXHLVKWSBPN-UHFFFAOYSA-N -1 0 278.173 2.372 50 0 CEAARM COc1ccccc1C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002385581 361234476 /nfs/dbraw/zinc/23/44/76/361234476.db2.gz QMHKMTAKTUUKEK-NSHDSACASA-N -1 0 295.335 2.216 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1ccccc1 ZINC000022211682 304102185 /nfs/dbraw/zinc/10/21/85/304102185.db2.gz ODMORDYRJUHGED-ZDUSSCGKSA-N -1 0 261.321 2.085 50 0 CEAARM COc1cccc(-n2ccnc2SCC(=O)[O-])c1 ZINC000003407181 361278493 /nfs/dbraw/zinc/27/84/93/361278493.db2.gz NXLTVMWPJNDKIJ-UHFFFAOYSA-N -1 0 264.306 2.058 50 0 CEAARM CCCCOc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000003671025 361288956 /nfs/dbraw/zinc/28/89/56/361288956.db2.gz NNRCIICGPROCOR-NSHDSACASA-N -1 0 277.320 2.303 50 0 CEAARM O=C([O-])C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000003884576 361293333 /nfs/dbraw/zinc/29/33/33/361293333.db2.gz KNDSIDUPVUCATQ-UHFFFAOYSA-N -1 0 274.242 2.401 50 0 CEAARM O=C([O-])COc1cccc(NC(=O)c2cccs2)c1 ZINC000004520000 361319441 /nfs/dbraw/zinc/31/94/41/361319441.db2.gz OLFVTAQGKGCVFJ-UHFFFAOYSA-N -1 0 277.301 2.464 50 0 CEAARM Cn1c2ccccc2nc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008417379 361342676 /nfs/dbraw/zinc/34/26/76/361342676.db2.gz RPPWFHKLVASLTN-GHMZBOCLSA-N -1 0 299.330 2.179 50 0 CEAARM Nc1c(Br)ccc(Br)c1C(=O)[O-] ZINC000005588979 361333967 /nfs/dbraw/zinc/33/39/67/361333967.db2.gz SQZPTOHJOFPPLZ-UHFFFAOYSA-N -1 0 294.930 2.492 50 0 CEAARM Cc1ccc(C(=O)[O-])c(I)c1 ZINC000006281985 361336063 /nfs/dbraw/zinc/33/60/63/361336063.db2.gz WNVUYAMRIXEZAT-UHFFFAOYSA-N -1 0 262.046 2.298 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000019843568 304103764 /nfs/dbraw/zinc/10/37/64/304103764.db2.gz UOZYGXLSJHWDOC-ZDUSSCGKSA-N -1 0 272.304 2.247 50 0 CEAARM Nc1nc(Cl)cc(Nc2ccccc2C(=O)[O-])n1 ZINC000012374417 361379975 /nfs/dbraw/zinc/37/99/75/361379975.db2.gz NGPPJIKVWLMDRZ-UHFFFAOYSA-N -1 0 264.672 2.154 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1cccs1 ZINC000012983342 361414185 /nfs/dbraw/zinc/41/41/85/361414185.db2.gz CESLJOSWMCFILE-MNOVXSKESA-N -1 0 265.334 2.031 50 0 CEAARM Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000013170878 361422153 /nfs/dbraw/zinc/42/21/53/361422153.db2.gz GNQSHPMOUDBXPR-CYBMUJFWSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])C[C@H](NC(=O)C1CC1)c1ccccc1Cl ZINC000013173461 361423918 /nfs/dbraw/zinc/42/39/18/361423918.db2.gz HYYGQHCYXBRDJC-NSHDSACASA-N -1 0 267.712 2.382 50 0 CEAARM C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000013418634 361428009 /nfs/dbraw/zinc/42/80/09/361428009.db2.gz WFEVZHDBLIUTCW-LBPRGKRZSA-N -1 0 299.326 2.469 50 0 CEAARM O=C([O-])c1cc(Cl)ccc1OCC(=O)N1CCCCC1 ZINC000013035106 361416564 /nfs/dbraw/zinc/41/65/64/361416564.db2.gz HOSCHNOINLPDAA-UHFFFAOYSA-N -1 0 297.738 2.430 50 0 CEAARM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013091805 361418459 /nfs/dbraw/zinc/41/84/59/361418459.db2.gz UKLCUIWXMSBVMV-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM COc1ccccc1Nc1nc(=O)c(C(C)(C)C)n[n-]1 ZINC000016776953 361498614 /nfs/dbraw/zinc/49/86/14/361498614.db2.gz IEBNXYJZBJTDHG-UHFFFAOYSA-N -1 0 274.324 2.215 50 0 CEAARM COc1cc(/C=C\C(=O)[O-])cc(Br)c1O ZINC000017314461 361509104 /nfs/dbraw/zinc/50/91/04/361509104.db2.gz NGBVBJQUJJKRGF-IHWYPQMZSA-N -1 0 273.082 2.261 50 0 CEAARM O=C([N-]OCc1ccccc1)[C@@H]1Cc2ccccc2O1 ZINC000025284359 361621892 /nfs/dbraw/zinc/62/18/92/361621892.db2.gz WVUBEKPCDSHCPK-HNNXBMFYSA-N -1 0 269.300 2.238 50 0 CEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccco2)c1 ZINC000028813374 361676136 /nfs/dbraw/zinc/67/61/36/361676136.db2.gz CSAHYHWYKSDNBB-UHFFFAOYSA-N -1 0 295.316 2.031 50 0 CEAARM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@]1(C)C(=O)[O-] ZINC000084316954 363808867 /nfs/dbraw/zinc/80/88/67/363808867.db2.gz DPLPAHSVWDMJMZ-AMIZOPFISA-N -1 0 273.329 2.222 50 0 CEAARM CCC[C@H](NC(=O)[C@H](C)Cc1ccccc1)c1nnn[n-]1 ZINC000089949527 364022874 /nfs/dbraw/zinc/02/28/74/364022874.db2.gz UVFSNJJMMPTPTE-YPMHNXCESA-N -1 0 287.367 2.036 50 0 CEAARM CCn1c(CN2CCC[C@@H]2C(=O)[O-])nc2c1cccc2F ZINC000237213106 370700994 /nfs/dbraw/zinc/70/09/94/370700994.db2.gz AVGGEVSXHPUFIF-GFCCVEGCSA-N -1 0 291.326 2.244 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000237453572 370722595 /nfs/dbraw/zinc/72/25/95/370722595.db2.gz HTXVPHQEPHEWEA-BXKDBHETSA-N -1 0 265.284 2.005 50 0 CEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@H]1CCCO1 ZINC000237651630 370741475 /nfs/dbraw/zinc/74/14/75/370741475.db2.gz AQZIRBUFLYHQFB-OCCSQVGLSA-N -1 0 291.347 2.196 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2ccsc2)C1 ZINC000237777241 370750497 /nfs/dbraw/zinc/75/04/97/370750497.db2.gz FWZMTFBQZOLRSC-ZDUSSCGKSA-N -1 0 267.350 2.004 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000238086664 370769498 /nfs/dbraw/zinc/76/94/98/370769498.db2.gz YFAQAHXMHKCBTF-KBPBESRZSA-N -1 0 287.359 2.430 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@H]1CCCCO1 ZINC000095031186 364324227 /nfs/dbraw/zinc/32/42/27/364324227.db2.gz WRUNAZCBEWUKRO-CHWSQXEVSA-N -1 0 283.368 2.192 50 0 CEAARM CCC[C@@](C)(NC(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000095393074 364356221 /nfs/dbraw/zinc/35/62/21/364356221.db2.gz CJTPTEVQONGDAZ-MLGOLLRUSA-N -1 0 291.347 2.312 50 0 CEAARM C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000095424743 364371400 /nfs/dbraw/zinc/37/14/00/364371400.db2.gz PQEYARFNCQVTHC-SCDSUCTJSA-N -1 0 293.338 2.374 50 0 CEAARM Cc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])c[nH]c1=O ZINC000095441728 364379834 /nfs/dbraw/zinc/37/98/34/364379834.db2.gz WUQPDLZVGJXKOD-UHFFFAOYSA-N -1 0 296.685 2.434 50 0 CEAARM COc1ccccc1[C@@H](CNC(=O)C(C)(C)C)C(=O)[O-] ZINC000095470423 364388821 /nfs/dbraw/zinc/38/88/21/364388821.db2.gz NIZRGGZEQQGTNZ-LLVKDONJSA-N -1 0 279.336 2.026 50 0 CEAARM CCn1ccnc1CN(C)[C@H](C(=O)[O-])c1ccsc1 ZINC000095371356 364348961 /nfs/dbraw/zinc/34/89/61/364348961.db2.gz ZEFYXMDTUCAGOU-LBPRGKRZSA-N -1 0 279.365 2.222 50 0 CEAARM CN(Cc1ncc[nH]1)[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000095371223 364349738 /nfs/dbraw/zinc/34/97/38/364349738.db2.gz MPNGIICYZAVTCX-GFCCVEGCSA-N -1 0 297.717 2.460 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000241277630 370781395 /nfs/dbraw/zinc/78/13/95/370781395.db2.gz LHVIRNJPDXWAFW-HRDYMLBCSA-N -1 0 253.323 2.036 50 0 CEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000097114360 364456859 /nfs/dbraw/zinc/45/68/59/364456859.db2.gz WMUGILNLXIVKSS-UHFFFAOYSA-N -1 0 299.302 2.172 50 0 CEAARM O=C([N-]c1nc(-c2ccsc2)ns1)c1csnn1 ZINC000096346226 364421795 /nfs/dbraw/zinc/42/17/95/364421795.db2.gz RJTPJGNNYAIDMD-UHFFFAOYSA-N -1 0 295.374 2.370 50 0 CEAARM COc1cccc(CNC(=O)C(C)(C)C)c1C(=O)[O-] ZINC000098175013 364536907 /nfs/dbraw/zinc/53/69/07/364536907.db2.gz CNHPDJJVOQCXPS-UHFFFAOYSA-N -1 0 265.309 2.056 50 0 CEAARM O=C1NC(=S)NC1=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000100455776 364546575 /nfs/dbraw/zinc/54/65/75/364546575.db2.gz QQQCXOATBFDNCH-FARCUNLSSA-N -1 0 289.143 2.044 50 0 CEAARM Cc1noc(C)c1CN(C)Cc1cccc(C(=O)[O-])n1 ZINC000097698762 364514734 /nfs/dbraw/zinc/51/47/34/364514734.db2.gz YGDANOJEUMZHKA-UHFFFAOYSA-N -1 0 275.308 2.017 50 0 CEAARM COc1cc(S(=O)(=O)[N-]c2ccc(C)nc2)ccc1F ZINC000242140829 370786000 /nfs/dbraw/zinc/78/60/00/370786000.db2.gz WPOPGSQJURNITC-UHFFFAOYSA-N -1 0 296.323 2.339 50 0 CEAARM Cc1ccccc1OCCCN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000165035225 367302059 /nfs/dbraw/zinc/30/20/59/367302059.db2.gz IKXHJDZTKGCTHO-UHFFFAOYSA-N -1 0 291.347 2.087 50 0 CEAARM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccco2)cn1 ZINC000682150569 541636371 /nfs/dbraw/zinc/63/63/71/541636371.db2.gz BZSCNDOQGOSWIQ-VIFPVBQESA-N -1 0 281.337 2.248 50 0 CEAARM Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000164358133 541781808 /nfs/dbraw/zinc/78/18/08/541781808.db2.gz SVJXVFJTMBYODT-UHFFFAOYSA-N -1 0 272.326 2.174 50 0 CEAARM C[C@H](c1ccncn1)[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC000215701482 370179974 /nfs/dbraw/zinc/17/99/74/370179974.db2.gz RSANWHGCGHPPGW-LLVKDONJSA-N -1 0 271.320 2.368 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000195541343 370138203 /nfs/dbraw/zinc/13/82/03/370138203.db2.gz MEGIXCJSFSFWGV-VHDGCEQUSA-N -1 0 287.359 2.422 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)c1ccsc1)C(=O)[O-] ZINC000195541708 370138405 /nfs/dbraw/zinc/13/84/05/370138405.db2.gz SQCCWXPBDQJYQE-NGZCFLSTSA-N -1 0 269.366 2.467 50 0 CEAARM CC(C)c1nc(C(=O)N(C)CCCC(=O)[O-])cs1 ZINC000195541508 370138847 /nfs/dbraw/zinc/13/88/47/370138847.db2.gz YUKFSGZENDZZOB-UHFFFAOYSA-N -1 0 270.354 2.203 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)CCc2cccc(F)c2)o1 ZINC000195542155 370139713 /nfs/dbraw/zinc/13/97/13/370139713.db2.gz IFULUHBATLSJFI-UHFFFAOYSA-N -1 0 291.278 2.366 50 0 CEAARM CC[C@H](C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000195555636 370140967 /nfs/dbraw/zinc/14/09/67/370140967.db2.gz AYVKIAJWRMMHOX-POYBYMJQSA-N -1 0 270.354 2.373 50 0 CEAARM CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000195551795 370140969 /nfs/dbraw/zinc/14/09/69/370140969.db2.gz JGTRZNHAEQFMIO-UPJWGTAASA-N -1 0 279.311 2.299 50 0 CEAARM C/C=C(\C)C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000222163399 370251989 /nfs/dbraw/zinc/25/19/89/370251989.db2.gz RBUJTWGHFTZFSQ-NQADCFBISA-N -1 0 275.348 2.321 50 0 CEAARM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC000224560234 370281051 /nfs/dbraw/zinc/28/10/51/370281051.db2.gz HPCVJCTXJXDQQL-SDDRHHMPSA-N -1 0 276.336 2.150 50 0 CEAARM CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000232453446 370505687 /nfs/dbraw/zinc/50/56/87/370505687.db2.gz FAEKQEYYANMAOH-RYUDHWBXSA-N -1 0 275.304 2.329 50 0 CEAARM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000236862744 370641006 /nfs/dbraw/zinc/64/10/06/370641006.db2.gz DBRRQKRIZXQHQW-HZSPNIEDSA-N -1 0 291.347 2.052 50 0 CEAARM C[C@](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)(C(=O)[O-])C1CC1 ZINC000252486548 371444246 /nfs/dbraw/zinc/44/42/46/371444246.db2.gz LGVJLQJDZDSTBH-HEHGZKQESA-N -1 0 291.322 2.299 50 0 CEAARM Cn1c2cccc(F)c2nc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000263425948 371937740 /nfs/dbraw/zinc/93/77/40/371937740.db2.gz RFFOQXMAUBJJFI-SECBINFHSA-N -1 0 277.299 2.013 50 0 CEAARM CCC(CC)(CC(=O)[O-])NC(=O)c1ccncc1Cl ZINC000262901987 371920260 /nfs/dbraw/zinc/92/02/60/371920260.db2.gz GEBMIFFKFDBKNN-UHFFFAOYSA-N -1 0 284.743 2.498 50 0 CEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C1CCOCC1 ZINC000237578230 189882429 /nfs/dbraw/zinc/88/24/29/189882429.db2.gz IMAUMMRIMAXAAP-CQSZACIVSA-N -1 0 291.347 2.054 50 0 CEAARM C/C(=C\C(=O)N1CC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000269211777 372380426 /nfs/dbraw/zinc/38/04/26/372380426.db2.gz WGXMTUXZLCZGRB-PMDBQALLSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000237975511 189895766 /nfs/dbraw/zinc/89/57/66/189895766.db2.gz QSALOQHEPSPZNU-RHSMWYFYSA-N -1 0 287.359 2.262 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000237971762 189895858 /nfs/dbraw/zinc/89/58/58/189895858.db2.gz VWOZZCQBWUDCBY-WDEREUQCSA-N -1 0 283.274 2.049 50 0 CEAARM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000358711 304173983 /nfs/dbraw/zinc/17/39/83/304173983.db2.gz SYEYVZOVGXYKBL-ZDUSSCGKSA-N -1 0 281.267 2.109 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N([C@@H]2CCSc3ccccc32)C1 ZINC000048250950 304174635 /nfs/dbraw/zinc/17/46/35/304174635.db2.gz FDJMZGYKAPZUQR-GXSJLCMTSA-N -1 0 277.345 2.157 50 0 CEAARM Cc1ccc(N2N[C@](C)(CCC(=O)[O-])NC2=S)cc1C ZINC000334161096 206124261 /nfs/dbraw/zinc/12/42/61/206124261.db2.gz SVQLELCZYBIMAZ-CQSZACIVSA-N -1 0 293.392 2.084 50 0 CEAARM CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000253369876 189986823 /nfs/dbraw/zinc/98/68/23/189986823.db2.gz JGTRZNHAEQFMIO-XQQFMLRXSA-N -1 0 279.311 2.299 50 0 CEAARM O=C([O-])[C@]1(NC(=O)c2cc3ccccc3o2)CCSC1 ZINC000043508463 304214124 /nfs/dbraw/zinc/21/41/24/304214124.db2.gz QWKJUZBCHHXAKP-AWEZNQCLSA-N -1 0 291.328 2.123 50 0 CEAARM CCn1cc2[n-]c(=S)n(C3CCCC3)c(=O)c2n1 ZINC000033268058 542245696 /nfs/dbraw/zinc/24/56/96/542245696.db2.gz RLCMXEQVTADRPV-UHFFFAOYSA-N -1 0 264.354 2.017 50 0 CEAARM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCCC(=O)[O-])cc1 ZINC000299750814 379126989 /nfs/dbraw/zinc/12/69/89/379126989.db2.gz OMUHYUPFRQLHDX-UKRRQHHQSA-N -1 0 291.347 2.054 50 0 CEAARM O=C([O-])Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000000308003 169604133 /nfs/dbraw/zinc/60/41/33/169604133.db2.gz CPBYPPJIQRNDEB-UHFFFAOYSA-N -1 0 286.312 2.210 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000238030283 304237265 /nfs/dbraw/zinc/23/72/65/304237265.db2.gz GSNHZBGXCQUNIR-MGPQQGTHSA-N -1 0 289.331 2.072 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)s1 ZINC000271942971 304237619 /nfs/dbraw/zinc/23/76/19/304237619.db2.gz PCOCREDHDFXLNQ-IVZWLZJFSA-N -1 0 295.360 2.134 50 0 CEAARM O=C([O-])c1ccc(F)cc1I ZINC000006925781 304245433 /nfs/dbraw/zinc/24/54/33/304245433.db2.gz DUKFTVLJAXWGPI-UHFFFAOYSA-N -1 0 266.009 2.129 50 0 CEAARM O=C([O-])c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000011848529 304248834 /nfs/dbraw/zinc/24/88/34/304248834.db2.gz SQDQNBXZIYFOPH-UHFFFAOYSA-N -1 0 281.271 2.365 50 0 CEAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O ZINC000000360746 304251981 /nfs/dbraw/zinc/25/19/81/304251981.db2.gz JVIPLYCGEZUBIO-UHFFFAOYSA-N -1 0 285.230 2.325 50 0 CEAARM O=C([O-])c1ccc2cncc(Br)c2n1 ZINC000000154097 304254261 /nfs/dbraw/zinc/25/42/61/304254261.db2.gz ISJKXVUODLFGIU-UHFFFAOYSA-N -1 0 253.055 2.091 50 0 CEAARM O=C([O-])c1ccccc1C(=O)NC1Cc2ccccc2C1 ZINC000000146600 304267192 /nfs/dbraw/zinc/26/71/92/304267192.db2.gz DORQNKVGNQGYTC-UHFFFAOYSA-N -1 0 281.311 2.282 50 0 CEAARM Cc1ccc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000096400582 256770040 /nfs/dbraw/zinc/77/00/40/256770040.db2.gz HNNYWHJTVOVQKA-KRZKBDHCSA-N -1 0 263.293 2.067 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1cccc2nccnc21 ZINC000388333162 256856058 /nfs/dbraw/zinc/85/60/58/256856058.db2.gz KSWOTMPFCYPZMI-INIZCTEOSA-N -1 0 299.330 2.099 50 0 CEAARM CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)[O-] ZINC000407985949 256866231 /nfs/dbraw/zinc/86/62/31/256866231.db2.gz UFRFPINAEOFOIN-VIFPVBQESA-N -1 0 255.314 2.251 50 0 CEAARM CCc1cc2c(nc(C)nc2NCC(=O)[O-])s1 ZINC000000572975 169671199 /nfs/dbraw/zinc/67/11/99/169671199.db2.gz NQLXOOBNVHAQCM-UHFFFAOYSA-N -1 0 251.311 2.059 50 0 CEAARM O=C([O-])c1nc2ccccc2c(C2OCCO2)c1F ZINC000090693750 304283435 /nfs/dbraw/zinc/28/34/35/304283435.db2.gz BEXWZMIUBGVDQF-UHFFFAOYSA-N -1 0 263.224 2.118 50 0 CEAARM O=C([O-])c1nn(-c2ccc(F)cc2F)c2c1CCC2 ZINC000021967960 304284404 /nfs/dbraw/zinc/28/44/04/304284404.db2.gz DYCJIRSLFSRNQA-UHFFFAOYSA-N -1 0 264.231 2.337 50 0 CEAARM O=C([O-])c1nn(COc2ccc(F)cc2)cc1Cl ZINC000002535899 304284918 /nfs/dbraw/zinc/28/49/18/304284918.db2.gz MHFVMDJIDYQZNY-UHFFFAOYSA-N -1 0 270.647 2.410 50 0 CEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000237272981 131019481 /nfs/dbraw/zinc/01/94/81/131019481.db2.gz WZZJEVNLXSHYDL-ZIAGYGMSSA-N -1 0 275.348 2.422 50 0 CEAARM CC(C)Oc1cccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000252446495 131134143 /nfs/dbraw/zinc/13/41/43/131134143.db2.gz VJGGWTFQTJPYMS-LEWSCRJBSA-N -1 0 291.347 2.372 50 0 CEAARM Cc1c2ccccc2oc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262413252 131219330 /nfs/dbraw/zinc/21/93/30/131219330.db2.gz ONSJCLBNKVTZFG-QWRGUYRKSA-N -1 0 273.288 2.078 50 0 CEAARM Cc1cccc(C2(C(=O)N3CCC[C@@H]3CC(=O)[O-])CC2)c1 ZINC000263015586 131278911 /nfs/dbraw/zinc/27/89/11/131278911.db2.gz SPTDBJBXPHUQOM-CQSZACIVSA-N -1 0 287.359 2.492 50 0 CEAARM Cc1cc(C)c2c(n1)N(CCCC(=O)[O-])C(=O)CS2 ZINC000032918714 134769781 /nfs/dbraw/zinc/76/97/81/134769781.db2.gz JNNFPQBYVYCRFN-UHFFFAOYSA-N -1 0 280.349 2.002 50 0 CEAARM Cc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000022223878 394474012 /nfs/dbraw/zinc/47/40/12/394474012.db2.gz BHBXADBOCLXAHD-HNNXBMFYSA-N -1 0 296.326 2.042 50 0 CEAARM CCn1cc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cn1 ZINC000096291632 394678814 /nfs/dbraw/zinc/67/88/14/394678814.db2.gz LPVPPYLGGJSKKB-YVMONPNESA-N -1 0 270.288 2.497 50 0 CEAARM CC[C@H](NC(=O)c1ccc2sc(C)nc2c1)C(=O)[O-] ZINC000426712044 395078860 /nfs/dbraw/zinc/07/88/60/395078860.db2.gz NHHZBVHBWHLZSZ-VIFPVBQESA-N -1 0 278.333 2.198 50 0 CEAARM Cc1c(F)cccc1C(=O)N1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263350373 154064602 /nfs/dbraw/zinc/06/46/02/154064602.db2.gz PQGNJESXCPBPGX-ZYHUDNBSSA-N -1 0 279.311 2.459 50 0 CEAARM CN(CCC(=O)[O-])c1nnc(Cc2ccc(F)cc2)s1 ZINC000263441473 154089847 /nfs/dbraw/zinc/08/98/47/154089847.db2.gz XFVWSKZJPXVJQR-UHFFFAOYSA-N -1 0 295.339 2.179 50 0 CEAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000263507908 154104334 /nfs/dbraw/zinc/10/43/34/154104334.db2.gz BOVCJBFETJKDFE-MRXNPFEDSA-N -1 0 289.306 2.285 50 0 CEAARM C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000239235721 296748334 /nfs/dbraw/zinc/74/83/34/296748334.db2.gz WOFONWUCBAKESQ-WQAKAFBOSA-N -1 0 287.315 2.310 50 0 CEAARM Cc1nc2[n-]c(Cc3ccc(Cl)cc3)nn2c(=O)c1C ZINC000004732936 170007934 /nfs/dbraw/zinc/00/79/34/170007934.db2.gz AFJJTUNJPYOQAO-UHFFFAOYSA-N -1 0 288.738 2.279 50 0 CEAARM COc1cc(CO)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000004746524 170010805 /nfs/dbraw/zinc/01/08/05/170010805.db2.gz SADGBEHXOTUSIV-UHFFFAOYSA-N -1 0 288.299 2.465 50 0 CEAARM Cc1occc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000004749498 170010816 /nfs/dbraw/zinc/01/08/16/170010816.db2.gz VHNIPDSMWTVEFK-UHFFFAOYSA-N -1 0 259.261 2.216 50 0 CEAARM Cc1nc2ccc(NC(=O)/C=C\C(=O)[O-])cc2s1 ZINC000004837484 170026720 /nfs/dbraw/zinc/02/67/20/170026720.db2.gz ONOAFWUYPUABOU-PLNGDYQASA-N -1 0 262.290 2.184 50 0 CEAARM COc1ccc(Nc2ccc(N)cc2S(=O)(=O)[O-])cc1 ZINC000005141239 170070580 /nfs/dbraw/zinc/07/05/80/170070580.db2.gz YWELRXOUPXKKMC-UHFFFAOYSA-N -1 0 294.332 2.268 50 0 CEAARM Cc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000005541179 170110624 /nfs/dbraw/zinc/11/06/24/170110624.db2.gz UGYJLXJVXAIFMI-UONOGXRCSA-N -1 0 273.332 2.278 50 0 CEAARM Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000008026785 170314892 /nfs/dbraw/zinc/31/48/92/170314892.db2.gz YUDRMWBCXRPUKU-UHFFFAOYSA-N -1 0 291.347 2.005 50 0 CEAARM COc1cc(Cl)c(C)cc1Nc1nc(=O)c(C)n[n-]1 ZINC000008739442 170353382 /nfs/dbraw/zinc/35/33/82/170353382.db2.gz XWEQZPLVWRCOBG-UHFFFAOYSA-N 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252.270 2.010 50 0 CEAARM CCOc1ccc(-c2nc(N)sc2CC(=O)[O-])cc1 ZINC000021948219 171338435 /nfs/dbraw/zinc/33/84/35/171338435.db2.gz ULWCKQAYTVKDQI-UHFFFAOYSA-N -1 0 278.333 2.418 50 0 CEAARM CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000022013807 171349261 /nfs/dbraw/zinc/34/92/61/171349261.db2.gz WDICICLPVPLNHO-STQMWFEESA-N -1 0 291.347 2.379 50 0 CEAARM O=C([O-])[C@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000035303615 172117628 /nfs/dbraw/zinc/11/76/28/172117628.db2.gz XLGAQRYBBAHXML-SNVBAGLBSA-N -1 0 278.333 2.452 50 0 CEAARM O=S(=O)([N-]c1ccon1)c1cccc2cnccc21 ZINC000036662311 172645319 /nfs/dbraw/zinc/64/53/19/172645319.db2.gz TYVLRADKWZLICE-UHFFFAOYSA-N -1 0 275.289 2.024 50 0 CEAARM O=C([O-])CCCSc1ccc2c(c1)OCCO2 ZINC000037116965 172967477 /nfs/dbraw/zinc/96/74/77/172967477.db2.gz XDORWVPUERYEEL-UHFFFAOYSA-N -1 0 254.307 2.415 50 0 CEAARM Cc1ncsc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000037366633 173155701 /nfs/dbraw/zinc/15/57/01/173155701.db2.gz XNHVORJEENPGDX-UHFFFAOYSA-N -1 0 282.365 2.215 50 0 CEAARM Cc1nc(C)c(C(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000037561404 173271928 /nfs/dbraw/zinc/27/19/28/173271928.db2.gz QTUWSPFTIAFDNR-UHFFFAOYSA-N -1 0 282.365 2.133 50 0 CEAARM C[C@@H](O)C[C@H](Sc1ncccc1Cl)C(=O)[O-] ZINC000040068638 174186396 /nfs/dbraw/zinc/18/63/96/174186396.db2.gz DDRQREGXWZOBFG-SVRRBLITSA-N -1 0 261.730 2.051 50 0 CEAARM CN(C(=O)c1ccccc1N)c1ccccc1C(=O)[O-] ZINC000040638202 174362537 /nfs/dbraw/zinc/36/25/37/174362537.db2.gz RLLKKTKSHHPOQP-UHFFFAOYSA-N -1 0 270.288 2.244 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000653329167 414987205 /nfs/dbraw/zinc/98/72/05/414987205.db2.gz RWTFHPZBMQWLMT-UONOGXRCSA-N -1 0 271.316 2.382 50 0 CEAARM CCc1ccsc1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043511147 175060235 /nfs/dbraw/zinc/06/02/35/175060235.db2.gz DODIHZMIYSPLEG-LBPRGKRZSA-N -1 0 285.390 2.001 50 0 CEAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C1CCCCCC1 ZINC000655600128 415361093 /nfs/dbraw/zinc/36/10/93/415361093.db2.gz YHFDMAYOCTXBAU-CQSZACIVSA-N -1 0 290.363 2.164 50 0 CEAARM O=C([O-])[C@H](Cc1ccco1)n1ccnc1-c1cccnc1 ZINC000071764847 176261633 /nfs/dbraw/zinc/26/16/33/176261633.db2.gz YSHJFYKNONRSNE-ZDUSSCGKSA-N -1 0 283.287 2.407 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000072265915 176352016 /nfs/dbraw/zinc/35/20/16/176352016.db2.gz DEHMZYGMZLWARX-RYUDHWBXSA-N -1 0 263.293 2.166 50 0 CEAARM Cn1nccc1/C=C\C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000317463294 260230476 /nfs/dbraw/zinc/23/04/76/260230476.db2.gz WACPLWBUWGTQIJ-FPLPWBNLSA-N -1 0 299.330 2.089 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000085159782 260371722 /nfs/dbraw/zinc/37/17/22/260371722.db2.gz NOLRXFXZYGRJHX-NSHDSACASA-N -1 0 251.326 2.056 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(SCC(=O)[O-])CC1 ZINC000095883739 260557845 /nfs/dbraw/zinc/55/78/45/260557845.db2.gz LXJMMJOCIYELSR-UHFFFAOYSA-N -1 0 275.370 2.204 50 0 CEAARM COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000001078100 261195391 /nfs/dbraw/zinc/19/53/91/261195391.db2.gz OOOOHHABXZISSJ-KGLIPLIRSA-N -1 0 291.347 2.202 50 0 CEAARM CC(=O)Nc1ccc(C(=O)[O-])cc1Br ZINC000007023277 278194136 /nfs/dbraw/zinc/19/41/36/278194136.db2.gz YCRQMCDNYOYGCJ-UHFFFAOYSA-N -1 0 258.071 2.106 50 0 CEAARM CC(=O)n1cc2c3c1cccc3C(=O)C[C@H]2C(=O)[O-] ZINC000071772672 278254245 /nfs/dbraw/zinc/25/42/45/278254245.db2.gz FLMYQOPVLSKLBZ-SECBINFHSA-N -1 0 257.245 2.056 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](C(=O)[O-])CO2)CC1 ZINC000095743350 278393641 /nfs/dbraw/zinc/39/36/41/278393641.db2.gz YJHNZBKIHLXQFG-ABAIWWIYSA-N -1 0 299.367 2.267 50 0 CEAARM CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000009195176 279187390 /nfs/dbraw/zinc/18/73/90/279187390.db2.gz HZXHZEICTRNPKQ-TUAOUCFPSA-N -1 0 255.358 2.428 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccccc2)C1 ZINC000213912066 280207937 /nfs/dbraw/zinc/20/79/37/280207937.db2.gz GTTZGCNPLDZTNX-ZPIQOJFGSA-N -1 0 259.305 2.023 50 0 CEAARM CC(C)c1ccc(C(=O)NCC(=O)[O-])cc1Cl ZINC000263176077 280598853 /nfs/dbraw/zinc/59/88/53/280598853.db2.gz QSRSCQFGCCSWAW-UHFFFAOYSA-N -1 0 255.701 2.278 50 0 CEAARM C[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2)c2nccn21 ZINC000263388786 297443516 /nfs/dbraw/zinc/44/35/16/297443516.db2.gz DSLMZBYTARASAL-MFKMUULPSA-N -1 0 271.320 2.377 50 0 CEAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000263306047 298210337 /nfs/dbraw/zinc/21/03/37/298210337.db2.gz OLPBOQUXVGDNDK-MIMYLULJSA-N -1 0 281.739 2.375 50 0 CEAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000097018324 298218414 /nfs/dbraw/zinc/21/84/14/298218414.db2.gz IFTWLGDZCDCQAZ-GXFFZTMASA-N -1 0 273.288 2.471 50 0 CEAARM C[C@H]1CCc2c(sc3[nH]c(CCC(=O)[O-])nc(=O)c23)C1 ZINC000003264016 300087680 /nfs/dbraw/zinc/08/76/80/300087680.db2.gz VDFFHFONVBJIEH-ZETCQYMHSA-N -1 0 292.360 2.127 50 0 CEAARM Cc1cc(C(F)(F)C(F)(F)F)n2nc(C(=O)[O-])cc2n1 ZINC000002526580 301158492 /nfs/dbraw/zinc/15/84/92/301158492.db2.gz KIKRREFYESDODB-UHFFFAOYSA-N -1 0 295.167 2.390 50 0 CEAARM Cc1cc(C(F)(F)F)n2nc(C(=O)[O-])c(Cl)c2n1 ZINC000000902750 301159530 /nfs/dbraw/zinc/15/95/30/301159530.db2.gz OWGWOFAOQYFJGZ-UHFFFAOYSA-N -1 0 279.605 2.408 50 0 CEAARM Cc1ccc(-c2nccn3cc(C(=O)[O-])nc23)cc1 ZINC000169676675 301469948 /nfs/dbraw/zinc/46/99/48/301469948.db2.gz UKQHOWVGBSKWQK-UHFFFAOYSA-N -1 0 253.261 2.403 50 0 CEAARM Cc1ccc(-n2c(C)cc(C)c(C(=O)[O-])c2=O)cc1 ZINC000000127900 301476920 /nfs/dbraw/zinc/47/69/20/301476920.db2.gz UNMIBNILTJLXOH-UHFFFAOYSA-N -1 0 257.289 2.461 50 0 CEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1C ZINC000106510064 301523525 /nfs/dbraw/zinc/52/35/25/301523525.db2.gz MPVOEVPCSHMFKK-OBJOEFQTSA-N -1 0 290.363 2.191 50 0 CEAARM O=S(=O)([O-])c1nc2ccc(Br)cc2s1 ZINC000038537941 304768777 /nfs/dbraw/zinc/76/87/77/304768777.db2.gz GWAMNBGCOKXXSM-UHFFFAOYSA-N -1 0 294.151 2.306 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC000085159794 330364347 /nfs/dbraw/zinc/36/43/47/330364347.db2.gz MSRSESVMVLAXEG-GFCCVEGCSA-N -1 0 251.326 2.199 50 0 CEAARM C[C@@](NC(=O)CCc1cc(F)ccc1F)(C(=O)[O-])C1CC1 ZINC000096494283 534259975 /nfs/dbraw/zinc/25/99/75/534259975.db2.gz GNAPFNJPGYGORA-HNNXBMFYSA-N -1 0 297.301 2.267 50 0 CEAARM CC(C)(C)c1nc(CN[C@@H](C(=O)[O-])c2ccccc2)no1 ZINC000050511441 519098682 /nfs/dbraw/zinc/09/86/82/519098682.db2.gz ODLJHKHFVYAGNV-GFCCVEGCSA-N -1 0 289.335 2.283 50 0 CEAARM CCC[C@H](C(=O)NC1(C(=O)[O-])CCCC1)n1cccc1 ZINC000426518773 527976680 /nfs/dbraw/zinc/97/66/80/527976680.db2.gz KYQAQEVUUAWUPZ-GFCCVEGCSA-N -1 0 278.352 2.343 50 0 CEAARM Cc1nc2ccccc2cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178268263 597498523 /nfs/dbraw/zinc/49/85/23/597498523.db2.gz UUGVQHRYVPPGEC-GFCCVEGCSA-N -1 0 284.315 2.090 50 0 CEAARM CC(C)C[C@@H](NC(=S)NCc1ccccc1)C(=O)[O-] ZINC000002998475 624724246 /nfs/dbraw/zinc/72/42/46/624724246.db2.gz CDRSOXMJHHFXCO-GFCCVEGCSA-N -1 0 280.393 2.150 50 0 CEAARM O=C(Cn1cnc2ccccc21)[N-]OCc1ccccc1 ZINC000070275199 641651776 /nfs/dbraw/zinc/65/17/76/641651776.db2.gz BDLRVOFNHXVNSO-UHFFFAOYSA-N -1 0 281.315 2.284 50 0 CEAARM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)Nc1nccs1 ZINC000788320259 648173715 /nfs/dbraw/zinc/17/37/15/648173715.db2.gz OGJFMYSBCQKZBL-QMMMGPOBSA-N -1 0 271.342 2.106 50 0 CEAARM CC(C)C[C@H](C(=O)[O-])N(C)C(=O)Nc1nccs1 ZINC000788320258 648173904 /nfs/dbraw/zinc/17/39/04/648173904.db2.gz OGJFMYSBCQKZBL-MRVPVSSYSA-N -1 0 271.342 2.106 50 0 CEAARM C[C@H]1CCC[C@H](C(=O)NCc2nc(C(=O)[O-])cs2)C1 ZINC000124347147 187133703 /nfs/dbraw/zinc/13/37/03/187133703.db2.gz XAODQOAAOZMBPY-IUCAKERBSA-N -1 0 282.365 2.284 50 0 CEAARM C[C@@H](NC(=O)C(C)(C)c1cccc(Cl)c1)C(=O)[O-] ZINC000082266052 177937423 /nfs/dbraw/zinc/93/74/23/177937423.db2.gz XXFHZUOTSLDTQK-MRVPVSSYSA-N -1 0 269.728 2.207 50 0 CEAARM Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000095961809 185044100 /nfs/dbraw/zinc/04/41/00/185044100.db2.gz CXDXDSSFHAURSP-BDAKNGLRSA-N -1 0 253.323 2.040 50 0 CEAARM Cc1cc(-n2cccc2)ccc1C(=O)NCCCC(=O)[O-] ZINC000095969612 185047483 /nfs/dbraw/zinc/04/74/83/185047483.db2.gz RCPXUWQJDLGAJJ-UHFFFAOYSA-N -1 0 286.331 2.380 50 0 CEAARM C[C@H](CC(=O)[O-])NC(=O)[C@@H](C)CCc1ccccc1F ZINC000095970378 185048410 /nfs/dbraw/zinc/04/84/10/185048410.db2.gz JJAIWZCXDJEUMM-WDEREUQCSA-N -1 0 281.327 2.374 50 0 CEAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)Cn1ccc2ccccc21 ZINC000095970633 185048565 /nfs/dbraw/zinc/04/85/65/185048565.db2.gz SOEQROOOGNPYEX-GFCCVEGCSA-N -1 0 288.347 2.211 50 0 CEAARM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1cc(F)ccc1F ZINC000095970252 185048811 /nfs/dbraw/zinc/04/88/11/185048811.db2.gz FCFXKPBJMSOLQI-CQSZACIVSA-N -1 0 285.290 2.267 50 0 CEAARM Cc1ccc(C(C)(C)C(=O)N[C@H](C)CC(=O)[O-])cc1 ZINC000095970395 185048833 /nfs/dbraw/zinc/04/88/33/185048833.db2.gz IMMVDCBEBOEGHK-LLVKDONJSA-N -1 0 263.337 2.252 50 0 CEAARM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccc(F)c(F)c1 ZINC000095989902 185057663 /nfs/dbraw/zinc/05/76/63/185057663.db2.gz OZWJVQGBOOGQJC-GBIKHYSHSA-N -1 0 295.285 2.253 50 0 CEAARM COc1ccc2c(c1Br)C[C@H](C(=O)[O-])CO2 ZINC000032918993 361766118 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262.334 2.499 50 0 CEAARM CC(C)(C)c1cc(CN2CCOCC2)c(C(=O)[O-])o1 ZINC000000056380 361122451 /nfs/dbraw/zinc/12/24/51/361122451.db2.gz BEKYORJUKBFBMO-UHFFFAOYSA-N -1 0 267.325 2.108 50 0 CEAARM CCOc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1F ZINC000000384729 361168367 /nfs/dbraw/zinc/16/83/67/361168367.db2.gz UBSVBWPQRSWKLC-UHFFFAOYSA-N -1 0 296.323 2.420 50 0 CEAARM O=C([O-])c1ccc(Cl)cc1NC(=O)[C@@H]1CCCO1 ZINC000000467220 361177966 /nfs/dbraw/zinc/17/79/66/361177966.db2.gz PTHGOTKNHHIFDS-JTQLQIEISA-N -1 0 269.684 2.156 50 0 CEAARM CC(=O)c1ccc([O-])c(I)c1 ZINC000000730511 361190641 /nfs/dbraw/zinc/19/06/41/361190641.db2.gz SJRAJHOOMLHHQN-UHFFFAOYSA-N -1 0 262.046 2.199 50 0 CEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000000863577 361194983 /nfs/dbraw/zinc/19/49/83/361194983.db2.gz OLSQAIQMPKVMBE-UHFFFAOYSA-N -1 0 278.333 2.199 50 0 CEAARM Nc1ccc(Nc2ccccc2)c(S(=O)(=O)[O-])c1 ZINC000001706914 361218539 /nfs/dbraw/zinc/21/85/39/361218539.db2.gz HYLOSPCJTPLXSF-UHFFFAOYSA-N -1 0 264.306 2.259 50 0 CEAARM COc1ccc(-c2noc(CCCC(=O)[O-])n2)cc1 ZINC000002359977 361232834 /nfs/dbraw/zinc/23/28/34/361232834.db2.gz PUOYKXUDPRGQQQ-UHFFFAOYSA-N -1 0 262.265 2.153 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000002386066 361234591 /nfs/dbraw/zinc/23/45/91/361234591.db2.gz LRWJRIFKJPPAPM-SNVBAGLBSA-N -1 0 267.281 2.043 50 0 CEAARM CCCCCn1c2ccccc2nc1S(=O)(=O)[O-] ZINC000002484791 361235572 /nfs/dbraw/zinc/23/55/72/361235572.db2.gz NSLTXAOZHMNKPE-UHFFFAOYSA-N -1 0 268.338 2.473 50 0 CEAARM O=S(=O)(Nc1ccccc1CO)c1ccc(F)cc1 ZINC000003215222 361268386 /nfs/dbraw/zinc/26/83/86/361268386.db2.gz RQXGJWWUZSSERU-UHFFFAOYSA-N -1 0 281.308 2.119 50 0 CEAARM COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1C ZINC000004046685 361299290 /nfs/dbraw/zinc/29/92/90/361299290.db2.gz DVQDVSRGDWLTFX-UHFFFAOYSA-N -1 0 262.261 2.046 50 0 CEAARM O=C([O-])CNS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000004204344 361305206 /nfs/dbraw/zinc/30/52/06/361305206.db2.gz HVHJVTXFWWPGHI-UHFFFAOYSA-N -1 0 297.376 2.097 50 0 CEAARM Nc1nc(/C=C/c2ccccn2)nc(-c2ccccc2[O-])n1 ZINC000004676586 361325408 /nfs/dbraw/zinc/32/54/08/361325408.db2.gz HJOMWMOFZNNZHQ-CMDGGOBGSA-N -1 0 291.314 2.392 50 0 CEAARM CC(C)(C)c1oc(C(=O)[O-])cc1CN1CCOCC1 ZINC000004574927 361322195 /nfs/dbraw/zinc/32/21/95/361322195.db2.gz RCQJDIRPHMWYFY-UHFFFAOYSA-N -1 0 267.325 2.108 50 0 CEAARM O=C([O-])c1cccc(=O)n1CCOc1ccccc1Cl ZINC000082164710 363751879 /nfs/dbraw/zinc/75/18/79/363751879.db2.gz OGOGZRGZQYJZKI-UHFFFAOYSA-N -1 0 293.706 2.279 50 0 CEAARM O=C([O-])Cc1csc(NC(=O)c2ccccc2F)n1 ZINC000012020127 361371447 /nfs/dbraw/zinc/37/14/47/361371447.db2.gz ALDPFXOOBIQABB-UHFFFAOYSA-N -1 0 280.280 2.162 50 0 CEAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)[O-] ZINC000011764669 361363327 /nfs/dbraw/zinc/36/33/27/361363327.db2.gz CZBCOPIJHZLFLZ-UHFFFAOYSA-N -1 0 262.261 2.127 50 0 CEAARM Cc1nc(CSc2ccccc2C(=O)[O-])no1 ZINC000012505670 361387158 /nfs/dbraw/zinc/38/71/58/361387158.db2.gz IWSQNZYZCHJKLK-UHFFFAOYSA-N -1 0 250.279 2.369 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c[nH]nc2c1 ZINC000012629323 361393689 /nfs/dbraw/zinc/39/36/89/361393689.db2.gz TXUSHOKLWMHHDP-UHFFFAOYSA-N -1 0 275.308 2.392 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000013170439 361422242 /nfs/dbraw/zinc/42/22/42/361422242.db2.gz PADVQWLDDRAWES-FZKGZDJFSA-N -1 0 277.295 2.162 50 0 CEAARM Cc1cccc(OCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170652 361422265 /nfs/dbraw/zinc/42/22/65/361422265.db2.gz QISDKZXFTOJZID-CYBMUJFWSA-N -1 0 291.347 2.087 50 0 CEAARM CC(C)N(C(=O)COc1cccc(C(=O)[O-])c1)C(C)C ZINC000013080093 361418560 /nfs/dbraw/zinc/41/85/60/361418560.db2.gz XQLJPQNSQNTULK-UHFFFAOYSA-N -1 0 279.336 2.409 50 0 CEAARM CCC(CC)NC(=O)COc1cc(OC)ccc1C(=O)[O-] ZINC000013084258 361418579 /nfs/dbraw/zinc/41/85/79/361418579.db2.gz PRWXQFRQGOGWPU-UHFFFAOYSA-N -1 0 295.335 2.077 50 0 CEAARM CCC[C@@H](NC(=S)NC1CCCCC1)C(=O)[O-] ZINC000015837352 361480115 /nfs/dbraw/zinc/48/01/15/361480115.db2.gz GGFMKOMWLALJMP-SNVBAGLBSA-N -1 0 258.387 2.037 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000016158638 361484710 /nfs/dbraw/zinc/48/47/10/361484710.db2.gz IUFATHQIUYUCFE-JTQLQIEISA-N -1 0 269.272 2.476 50 0 CEAARM O=C(c1cnn(C(=O)C2CC2)c1)c1cc(F)ccc1[O-] ZINC000014241438 361453503 /nfs/dbraw/zinc/45/35/03/361453503.db2.gz ICVTZWWNFPZSIN-UHFFFAOYSA-N -1 0 274.251 2.009 50 0 CEAARM Cc1n[n-]c(Nc2cccc(Cl)c2C)nc1=O ZINC000016776948 361497892 /nfs/dbraw/zinc/49/78/92/361497892.db2.gz DSZFYODZAYDAGD-UHFFFAOYSA-N -1 0 250.689 2.179 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000019508366 361539878 /nfs/dbraw/zinc/53/98/78/361539878.db2.gz OYXLCGYTAOPEJQ-ZDUSSCGKSA-N -1 0 285.299 2.235 50 0 CEAARM O=C([O-])c1nc(OCC(F)(F)F)ccc1Cl ZINC000019965713 361572024 /nfs/dbraw/zinc/57/20/24/361572024.db2.gz GSKUFMZZSWYIFW-UHFFFAOYSA-N -1 0 255.579 2.374 50 0 CEAARM COc1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000019389153 361530070 /nfs/dbraw/zinc/53/00/70/361530070.db2.gz SAIMRHORBMNEKF-CQSZACIVSA-N -1 0 291.347 2.094 50 0 CEAARM Cc1ccccc1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000019407836 361532131 /nfs/dbraw/zinc/53/21/31/361532131.db2.gz BJMYSVJGWDIFNV-INIZCTEOSA-N -1 0 283.327 2.480 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000019433563 361534656 /nfs/dbraw/zinc/53/46/56/361534656.db2.gz AJIUVKRDNSSKBN-JTQLQIEISA-N -1 0 272.304 2.105 50 0 CEAARM Cc1ccsc1CNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000028901149 361678344 /nfs/dbraw/zinc/67/83/44/361678344.db2.gz JQZJQDSTRPJYBA-QWRGUYRKSA-N -1 0 279.361 2.340 50 0 CEAARM CC(C)(NC(=O)Cc1cccs1)C(C)(C)C(=O)[O-] ZINC000087622066 363863993 /nfs/dbraw/zinc/86/39/93/363863993.db2.gz ALVDBIXFSWVMDG-UHFFFAOYSA-N -1 0 269.366 2.296 50 0 CEAARM O=C([O-])c1ccc(CCNC(=O)CCC(F)(F)F)cc1 ZINC000088832587 363924226 /nfs/dbraw/zinc/92/42/26/363924226.db2.gz RYNJMDHRKZUIBM-UHFFFAOYSA-N -1 0 289.253 2.386 50 0 CEAARM COc1ccc2c(c1)CCN2C(=O)c1ccc(C(=O)[O-])o1 ZINC000237536706 370731031 /nfs/dbraw/zinc/73/10/31/370731031.db2.gz IKXSSBXMJBHGRD-UHFFFAOYSA-N -1 0 287.271 2.189 50 0 CEAARM C[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000237511176 370728527 /nfs/dbraw/zinc/72/85/27/370728527.db2.gz ODMQXPJZWVHOGT-JOYOIKCWSA-N -1 0 269.728 2.186 50 0 CEAARM Cc1ccc(OCCCC(=O)NC2(C(=O)[O-])CC2)cc1C ZINC000237711771 370746984 /nfs/dbraw/zinc/74/69/84/370746984.db2.gz MAGLPKBRUOLFJO-UHFFFAOYSA-N -1 0 291.347 2.196 50 0 CEAARM Cn1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000237714570 370747024 /nfs/dbraw/zinc/74/70/24/370747024.db2.gz LGCAKBIVZIOEBA-CYBMUJFWSA-N -1 0 298.342 2.239 50 0 CEAARM Cc1cccc2c1CCN2C(=O)c1ccc(C(=O)[O-])o1 ZINC000237734134 370748149 /nfs/dbraw/zinc/74/81/49/370748149.db2.gz SXEFGZNMKBNZHQ-UHFFFAOYSA-N -1 0 271.272 2.489 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1SCCc2sccc21)C1CC1 ZINC000238082320 370769610 /nfs/dbraw/zinc/76/96/10/370769610.db2.gz LAOIYLDEAKFJEC-LBPRGKRZSA-N -1 0 297.401 2.154 50 0 CEAARM Cc1cscc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000094246396 364262872 /nfs/dbraw/zinc/26/28/72/364262872.db2.gz SITAWFYFNQHRKY-UHFFFAOYSA-N -1 0 267.350 2.430 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2ccc(F)cc2F)CCCC1 ZINC000095066173 364328738 /nfs/dbraw/zinc/32/87/38/364328738.db2.gz KPTCEIKZJPVZHH-UHFFFAOYSA-N -1 0 283.274 2.021 50 0 CEAARM CCN(Cc1ccccn1)c1cccc(C(=O)[O-])n1 ZINC000094917694 364308141 /nfs/dbraw/zinc/30/81/41/364308141.db2.gz XXRFQPDMWJVRRT-UHFFFAOYSA-N -1 0 257.293 2.201 50 0 CEAARM Cc1cc([N-]S(=O)(=O)CCCC(F)(F)F)no1 ZINC000095452962 364384865 /nfs/dbraw/zinc/38/48/65/364384865.db2.gz ODSXIMNFSLUAFY-UHFFFAOYSA-N -1 0 272.248 2.067 50 0 CEAARM CCn1ccnc1CN(C)[C@@H](C(=O)[O-])c1ccsc1 ZINC000095371357 364349836 /nfs/dbraw/zinc/34/98/36/364349836.db2.gz ZEFYXMDTUCAGOU-GFCCVEGCSA-N -1 0 279.365 2.222 50 0 CEAARM CC(C)c1nc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000097039422 364429330 /nfs/dbraw/zinc/42/93/30/364429330.db2.gz RNCIVJMLKTUCBF-BDAKNGLRSA-N -1 0 282.365 2.250 50 0 CEAARM CCc1ncc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000097045073 364430143 /nfs/dbraw/zinc/43/01/43/364430143.db2.gz SCVKGGQYMGOVPK-SNVBAGLBSA-N -1 0 296.392 2.423 50 0 CEAARM Cc1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1 ZINC000100126423 364539924 /nfs/dbraw/zinc/53/99/24/364539924.db2.gz UDFQYYGCNPFPBZ-UHFFFAOYSA-N -1 0 272.333 2.018 50 0 CEAARM CSc1nc2n(n1)[C@@H](c1cccs1)CC(C(=O)[O-])=N2 ZINC000101446965 364557541 /nfs/dbraw/zinc/55/75/41/364557541.db2.gz ODOJJLWWYOGLHM-SSDOTTSWSA-N -1 0 294.361 2.045 50 0 CEAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccc1 ZINC000101775438 364573344 /nfs/dbraw/zinc/57/33/44/364573344.db2.gz IGWVTSKATKADGX-CYBMUJFWSA-N -1 0 273.336 2.115 50 0 CEAARM Cc1oc(-c2nc3ccccc3n2C)cc1S(=O)(=O)[O-] ZINC000169691091 367370400 /nfs/dbraw/zinc/37/04/00/367370400.db2.gz WLDLBHDIRQOEIA-UHFFFAOYSA-N -1 0 292.316 2.388 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccoc1 ZINC000250172395 304144640 /nfs/dbraw/zinc/14/46/40/304144640.db2.gz MJPXHADCMMMCMM-WCQGTBRESA-N -1 0 263.293 2.138 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC(F)(F)F ZINC000022150230 304146639 /nfs/dbraw/zinc/14/66/39/304146639.db2.gz WRGRGCHVFNVGRG-VGMNWLOBSA-N -1 0 279.258 2.183 50 0 CEAARM CSc1nn(CCSc2ccccc2)c(=O)[n-]1 ZINC000194579704 370055179 /nfs/dbraw/zinc/05/51/79/370055179.db2.gz DCGSKWCZBVSUGM-UHFFFAOYSA-N -1 0 267.379 2.086 50 0 CEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCCC(=O)[O-] ZINC000195542052 370138046 /nfs/dbraw/zinc/13/80/46/370138046.db2.gz WIULGIDTMKKTRD-ZIAGYGMSSA-N -1 0 275.348 2.470 50 0 CEAARM C[C@@H](C(=O)NCC(=O)[O-])c1ccc2ccccc2c1 ZINC000195542595 370139563 /nfs/dbraw/zinc/13/95/63/370139563.db2.gz JOSLUSNHTMHJMF-SNVBAGLBSA-N -1 0 257.289 2.144 50 0 CEAARM CC(C)COCCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236606557 370596270 /nfs/dbraw/zinc/59/62/70/370596270.db2.gz GPSYMYLWQNHNGB-ZDUSSCGKSA-N -1 0 285.384 2.153 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1CCCCO1 ZINC000250863077 371393684 /nfs/dbraw/zinc/39/36/84/371393684.db2.gz QSMAWXTVEATDLI-DGAVXFQQSA-N -1 0 295.379 2.190 50 0 CEAARM Cc1cscc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262182802 371835602 /nfs/dbraw/zinc/83/56/02/371835602.db2.gz RUINVDCTZTVWPN-NSHDSACASA-N -1 0 279.361 2.383 50 0 CEAARM Cc1noc(C)c1[C@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237450957 189877020 /nfs/dbraw/zinc/87/70/20/189877020.db2.gz DVGQWFKUOWMNSD-IUCAKERBSA-N -1 0 294.351 2.107 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC000269183418 372369451 /nfs/dbraw/zinc/36/94/51/372369451.db2.gz MAYWXLXFFOBBRI-SWLSCSKDSA-N -1 0 287.359 2.115 50 0 CEAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000237908035 189893193 /nfs/dbraw/zinc/89/31/93/189893193.db2.gz MECPQBSHWSIPST-GMTAPVOTSA-N -1 0 279.361 2.236 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1 ZINC000088166573 304174582 /nfs/dbraw/zinc/17/45/82/304174582.db2.gz BDUIYKDZCJIPTQ-LURJTMIESA-N -1 0 274.103 2.431 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000000233805 304175855 /nfs/dbraw/zinc/17/58/55/304175855.db2.gz JSAHSTHKUOOPKW-RYUDHWBXSA-N -1 0 263.268 2.431 50 0 CEAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)c1ccccc1 ZINC000094743500 304176667 /nfs/dbraw/zinc/17/66/67/304176667.db2.gz XLFRLPIAZNWNRZ-QWHCGFSZSA-N -1 0 261.321 2.450 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1 ZINC000095989369 304179367 /nfs/dbraw/zinc/17/93/67/304179367.db2.gz ISOFVEQYAADLGF-CYBMUJFWSA-N -1 0 291.351 2.078 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000238093428 304191794 /nfs/dbraw/zinc/19/17/94/304191794.db2.gz XTFQHFUUKOFOAN-KWQFWETISA-N -1 0 297.401 2.012 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000426658500 377426686 /nfs/dbraw/zinc/42/66/86/377426686.db2.gz VASRSWMOHANYAQ-AWEZNQCLSA-N -1 0 299.330 2.156 50 0 CEAARM Cc1ccnc(C[C@@H](C)N(C)C(=O)CCCC(=O)[O-])c1 ZINC000426421378 377405860 /nfs/dbraw/zinc/40/58/60/377405860.db2.gz ZTHHSYLMEHSZFB-GFCCVEGCSA-N -1 0 278.352 2.034 50 0 CEAARM O=C([O-])C1(NC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)CCCC1 ZINC000426490492 377409921 /nfs/dbraw/zinc/40/99/21/377409921.db2.gz JGKLVSLGPHVEGA-WOPDTQHZSA-N -1 0 263.337 2.102 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2C(=O)N1CCc1ccccc1 ZINC000005034169 304206091 /nfs/dbraw/zinc/20/60/91/304206091.db2.gz MTJXEPLFNCDCIO-MRXNPFEDSA-N -1 0 295.338 2.381 50 0 CEAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000299743866 379125853 /nfs/dbraw/zinc/12/58/53/379125853.db2.gz PQCQZJQZNBHGKH-AXFHLTTASA-N -1 0 279.361 2.093 50 0 CEAARM O=C([O-])c1c(F)cc(I)cc1F ZINC000036532774 304217382 /nfs/dbraw/zinc/21/73/82/304217382.db2.gz UZSFGVPHIUMKOY-UHFFFAOYSA-N -1 0 283.999 2.268 50 0 CEAARM CCCc1cc(=O)oc2cc(OCC(=O)[O-])ccc12 ZINC000000041422 169514831 /nfs/dbraw/zinc/51/48/31/169514831.db2.gz QIDUPXBFHWESTC-UHFFFAOYSA-N -1 0 262.261 2.209 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\C2CCCCC2)C1 ZINC000492179350 380476044 /nfs/dbraw/zinc/47/60/44/380476044.db2.gz HFFYVHPFRJTQLA-DGMVEKRQSA-N -1 0 251.326 2.056 50 0 CEAARM O=C([O-])CN(C(=O)/C=C\C1CCCCC1)C1CCOCC1 ZINC000492387498 380536695 /nfs/dbraw/zinc/53/66/95/380536695.db2.gz QMENSDUXIHFVLM-SREVYHEPSA-N -1 0 295.379 2.215 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000000275752 169594660 /nfs/dbraw/zinc/59/46/60/169594660.db2.gz MMPXOXNLAORIRR-LLVKDONJSA-N -1 0 259.261 2.225 50 0 CEAARM C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013076661 296339270 /nfs/dbraw/zinc/33/92/70/296339270.db2.gz DMDJJBMZAMTALJ-MFKMUULPSA-N -1 0 297.376 2.242 50 0 CEAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3CC2)cc1 ZINC000004141792 304246081 /nfs/dbraw/zinc/24/60/81/304246081.db2.gz FHRMYZNQQRXSAT-DJBIQUGXSA-N -1 0 297.310 2.086 50 0 CEAARM C[C@H](S[C@H]1CCc2ccccc2NC1=O)C(=O)[O-] ZINC000013690835 299577009 /nfs/dbraw/zinc/57/70/09/299577009.db2.gz DQLWULMXLZWGCH-KWQFWETISA-N -1 0 265.334 2.146 50 0 CEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000004322291 285169391 /nfs/dbraw/zinc/16/93/91/285169391.db2.gz OOEQVBQHJUONDC-GXTWGEPZSA-N -1 0 277.320 2.079 50 0 CEAARM CCOc1ccc(Br)cc1CC(=O)[O-] ZINC000000552241 169666940 /nfs/dbraw/zinc/66/69/40/169666940.db2.gz JMISCCIZDRPSNS-UHFFFAOYSA-N -1 0 259.099 2.475 50 0 CEAARM O=C([O-])c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000047843836 304285400 /nfs/dbraw/zinc/28/54/00/304285400.db2.gz NOQOHHSLFIWMSY-UHFFFAOYSA-N -1 0 275.161 2.123 50 0 CEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@@H]1CCCO1 ZINC000237590007 131044238 /nfs/dbraw/zinc/04/42/38/131044238.db2.gz AQZIRBUFLYHQFB-GXTWGEPZSA-N -1 0 291.347 2.196 50 0 CEAARM CC(C)c1nn(C)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000261641519 131159180 /nfs/dbraw/zinc/15/91/80/131159180.db2.gz IQMBNABNNWYVQO-UHFFFAOYSA-N -1 0 287.319 2.494 50 0 CEAARM COc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1Cl ZINC000263427964 131292615 /nfs/dbraw/zinc/29/26/15/131292615.db2.gz KDAIKDPKQMZTQM-AWEZNQCLSA-N -1 0 297.738 2.428 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000263478647 131294349 /nfs/dbraw/zinc/29/43/49/131294349.db2.gz ZXJIZADLCQBWFA-CYBMUJFWSA-N -1 0 285.303 2.085 50 0 CEAARM CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000263577577 131299336 /nfs/dbraw/zinc/29/93/36/131299336.db2.gz ROYUZFITESLRJO-IUODEOHRSA-N -1 0 291.347 2.313 50 0 CEAARM Cc1ccc(N2N=C(C(=O)[O-])CCC2=O)cc1Cl ZINC000006597678 134661492 /nfs/dbraw/zinc/66/14/92/134661492.db2.gz ITQRUBZAMQULTO-UHFFFAOYSA-N -1 0 266.684 2.216 50 0 CEAARM COc1ccccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000059300 394447820 /nfs/dbraw/zinc/44/78/20/394447820.db2.gz PJTNHPSITVYQPK-UHFFFAOYSA-N -1 0 297.266 2.194 50 0 CEAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCCC3)c12 ZINC000004967409 394456944 /nfs/dbraw/zinc/45/69/44/394456944.db2.gz IXHQYTOUJDGZKV-UHFFFAOYSA-N -1 0 263.322 2.298 50 0 CEAARM C/C(=C\C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000268939550 394703172 /nfs/dbraw/zinc/70/31/72/394703172.db2.gz JWJSCZSWSNHUDU-WONIAPNHSA-N -1 0 273.332 2.413 50 0 CEAARM CC1=C[C@H](C)[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000101138437 394706687 /nfs/dbraw/zinc/70/66/87/394706687.db2.gz IUFYUZYEQQSJDA-GDLCADMTSA-N -1 0 299.326 2.477 50 0 CEAARM Cc1cc(C)cc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)c1 ZINC000102905419 400256558 /nfs/dbraw/zinc/25/65/58/400256558.db2.gz GMJQJWDIBGBXHC-UHFFFAOYSA-N -1 0 296.330 2.200 50 0 CEAARM Cc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)s1 ZINC000262472313 153952668 /nfs/dbraw/zinc/95/26/68/153952668.db2.gz UPHYPLWANIUFPS-MRVPVSSYSA-N -1 0 253.323 2.134 50 0 CEAARM Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccn1 ZINC000263076604 154014588 /nfs/dbraw/zinc/01/45/88/154014588.db2.gz QOIUKQITFXYTGT-XHDPSFHLSA-N -1 0 289.335 2.109 50 0 CEAARM O=C([O-])Cc1ccc(NC(=O)CC2CCOCC2)cc1F ZINC000263262620 154044448 /nfs/dbraw/zinc/04/44/48/154044448.db2.gz UYWHBJFTQUOOSB-UHFFFAOYSA-N -1 0 295.310 2.208 50 0 CEAARM C[C@]1(C(=O)NCc2ccc(C(=O)[O-])s2)CC1(F)F ZINC000263289041 154047455 /nfs/dbraw/zinc/04/74/55/154047455.db2.gz YLPHZASCGLCSOA-SNVBAGLBSA-N -1 0 275.276 2.108 50 0 CEAARM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC000263568249 154128642 /nfs/dbraw/zinc/12/86/42/154128642.db2.gz YHUWMQPXFWDPSC-SECBINFHSA-N -1 0 290.319 2.003 50 0 CEAARM Cc1cc(Br)ccc1NC(=O)/C=C/C(=O)[O-] ZINC000001735951 169752939 /nfs/dbraw/zinc/75/29/39/169752939.db2.gz VPTIHMBAMCSGKL-SNAWJCMRSA-N -1 0 284.109 2.337 50 0 CEAARM O=C([O-])CCCCCCNS(=O)(=O)c1ccccc1 ZINC000002490704 169795216 /nfs/dbraw/zinc/79/52/16/169795216.db2.gz VYASIDRVJHKUNA-UHFFFAOYSA-N -1 0 285.365 2.000 50 0 CEAARM O=C([O-])c1ccnn1COc1ccccc1Cl ZINC000002537617 169805359 /nfs/dbraw/zinc/80/53/59/169805359.db2.gz GGQJAHFALXYTLW-UHFFFAOYSA-N -1 0 252.657 2.271 50 0 CEAARM Cc1cccc(C)c1NC(=S)NCCCC(=O)[O-] ZINC000003138401 169859779 /nfs/dbraw/zinc/85/97/79/169859779.db2.gz VTVSUPLIBYKOPQ-UHFFFAOYSA-N -1 0 266.366 2.455 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000004734399 170007844 /nfs/dbraw/zinc/00/78/44/170007844.db2.gz KRKBSIJUCVXTLT-MWLCHTKSSA-N -1 0 266.366 2.472 50 0 CEAARM O=C([O-])COc1c(Cl)cc(CO)cc1Br ZINC000004739247 170008454 /nfs/dbraw/zinc/00/84/54/170008454.db2.gz URJAFKMMPLAOGW-UHFFFAOYSA-N -1 0 295.516 2.058 50 0 CEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000004884314 170036373 /nfs/dbraw/zinc/03/63/73/170036373.db2.gz HLBRUTVBXGSMTG-UHFFFAOYSA-N -1 0 266.322 2.401 50 0 CEAARM CCc1c(C)c2ccc(OCC(=O)[O-])cc2oc1=O ZINC000004919309 170041292 /nfs/dbraw/zinc/04/12/92/170041292.db2.gz SFHRNAYBOMXTMR-UHFFFAOYSA-N -1 0 262.261 2.127 50 0 CEAARM CC(C)[C@H](NC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000005625103 170121423 /nfs/dbraw/zinc/12/14/23/170121423.db2.gz MYGSJGRXGSFUDJ-JTQLQIEISA-N -1 0 255.701 2.179 50 0 CEAARM CCOC(=O)c1[n-]c2c(OC)cccc2c(=O)c1C ZINC000005884212 170149938 /nfs/dbraw/zinc/14/99/38/170149938.db2.gz FCVIMHFZWTWHLG-UHFFFAOYSA-N -1 0 261.277 2.434 50 0 CEAARM COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 ZINC000008362589 170333492 /nfs/dbraw/zinc/33/34/92/170333492.db2.gz WNVXEMVHBSKQGH-UHFFFAOYSA-N -1 0 280.305 2.312 50 0 CEAARM CCCCCSc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000008762672 170354543 /nfs/dbraw/zinc/35/45/43/170354543.db2.gz VJXGENSXDGAAOA-UHFFFAOYSA-N -1 0 270.354 2.400 50 0 CEAARM CCCc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000009378663 170375118 /nfs/dbraw/zinc/37/51/18/170375118.db2.gz JFBDVTYMGDHELO-UHFFFAOYSA-N -1 0 279.365 2.173 50 0 CEAARM O=C([O-])c1cc2cccc(C(F)(F)F)c2[nH]c1=O ZINC000011956284 170461789 /nfs/dbraw/zinc/46/17/89/170461789.db2.gz JHJVBJAZKDJVGP-UHFFFAOYSA-N -1 0 257.167 2.245 50 0 CEAARM COc1ccc(CNC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000013392829 170547866 /nfs/dbraw/zinc/54/78/66/170547866.db2.gz NOZIAPMLYQYNJS-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM CCc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@@H]2CC(=O)[O-] ZINC000015085597 170657371 /nfs/dbraw/zinc/65/73/71/170657371.db2.gz ISHMVTYTYAKZMO-LBPRGKRZSA-N -1 0 299.330 2.389 50 0 CEAARM COc1ccc(-c2cncc(C(=O)[O-])c2)cc1OC ZINC000020443358 171205761 /nfs/dbraw/zinc/20/57/61/171205761.db2.gz MKKNTDWMTBRGCD-UHFFFAOYSA-N -1 0 259.261 2.464 50 0 CEAARM O=C([O-])c1ccc(C[S@@](=O)c2ccc(F)cc2)o1 ZINC000021714255 171319433 /nfs/dbraw/zinc/31/94/33/171319433.db2.gz NJFIICUXNGPLRP-SFHVURJKSA-N -1 0 268.265 2.425 50 0 CEAARM CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000022013813 171349338 /nfs/dbraw/zinc/34/93/38/171349338.db2.gz WDICICLPVPLNHO-OLZOCXBDSA-N -1 0 291.347 2.379 50 0 CEAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000035302016 172116584 /nfs/dbraw/zinc/11/65/84/172116584.db2.gz PQOPKCACFCYHBP-LBPRGKRZSA-N -1 0 272.304 2.391 50 0 CEAARM Cc1nc(C)c(C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000036366782 172625829 /nfs/dbraw/zinc/62/58/29/172625829.db2.gz PUMVJORXIPMJIW-UHFFFAOYSA-N -1 0 290.344 2.388 50 0 CEAARM CSCc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000037433230 173203855 /nfs/dbraw/zinc/20/38/55/173203855.db2.gz FDUZPCNIUXWBFK-UHFFFAOYSA-N -1 0 293.388 2.486 50 0 CEAARM Cc1ccccc1CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561281 173271167 /nfs/dbraw/zinc/27/11/67/173271167.db2.gz BUCKHEQBBPYZMJ-UHFFFAOYSA-N -1 0 275.348 2.297 50 0 CEAARM C[C@H](O)C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000040498063 174296014 /nfs/dbraw/zinc/29/60/14/174296014.db2.gz LSJYITTUQMZXSY-XPUUQOCRSA-N -1 0 295.282 2.417 50 0 CEAARM COc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000043583353 175070359 /nfs/dbraw/zinc/07/03/59/175070359.db2.gz NSADHGAPYVZJRD-GFCCVEGCSA-N -1 0 291.347 2.412 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000043583731 175070456 /nfs/dbraw/zinc/07/04/56/175070456.db2.gz HYZDAGUJKGULOR-CHWSQXEVSA-N -1 0 265.353 2.446 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(-c3nccs3)cc2)C1 ZINC000044979019 175283300 /nfs/dbraw/zinc/28/33/00/175283300.db2.gz SBKWEPNBRNDDNT-JTQLQIEISA-N -1 0 288.328 2.248 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000059984139 175635531 /nfs/dbraw/zinc/63/55/31/175635531.db2.gz JZRHKQKMMCWVES-SDBXPKJASA-N -1 0 285.290 2.123 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccc3cc[nH]c3c2)CCCC1 ZINC000070164952 175876026 /nfs/dbraw/zinc/87/60/26/175876026.db2.gz GSIVZOARDAIBCF-UHFFFAOYSA-N -1 0 272.304 2.295 50 0 CEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnc(C)cn2)cc1 ZINC000072293255 176362425 /nfs/dbraw/zinc/36/24/25/176362425.db2.gz PQCVGLWBWTXXHR-ZDUSSCGKSA-N -1 0 299.330 2.039 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cscn1 ZINC000062353667 260235422 /nfs/dbraw/zinc/23/54/22/260235422.db2.gz WEYZPYLISFBETN-UHFFFAOYSA-N -1 0 262.290 2.402 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000237272616 260675631 /nfs/dbraw/zinc/67/56/31/260675631.db2.gz UETVHXWNTGSKOX-VXGBXAGGSA-N -1 0 297.301 2.392 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)/C=C\c1cccnc1 ZINC000220267065 270308753 /nfs/dbraw/zinc/30/87/53/270308753.db2.gz HXOFGVMGMCVMPA-QPBFKRLHSA-N -1 0 288.347 2.341 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000095348153 278390443 /nfs/dbraw/zinc/39/04/43/278390443.db2.gz ZTQAPANOXVJNDD-LLVKDONJSA-N -1 0 295.339 2.153 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc2c1OCCO2 ZINC000055151421 278598363 /nfs/dbraw/zinc/59/83/63/278598363.db2.gz ATIIQUZGGONVKN-UHFFFAOYSA-N -1 0 293.319 2.287 50 0 CEAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263452678 280087576 /nfs/dbraw/zinc/08/75/76/280087576.db2.gz SWKTWCIZUCHURI-IPYPFGDCSA-N -1 0 297.395 2.293 50 0 CEAARM CC(C)[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000225565369 280100411 /nfs/dbraw/zinc/10/04/11/280100411.db2.gz OSAGMEWXWBDKTL-NXEZZACHSA-N -1 0 257.330 2.353 50 0 CEAARM CC1(C)CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000236640725 281146477 /nfs/dbraw/zinc/14/64/77/281146477.db2.gz PADUPPMPOVCARP-VMPITWQZSA-N -1 0 289.331 2.035 50 0 CEAARM CC1(C)Cc2sc3c([n-]c(=S)[nH]c3=O)c2CO1 ZINC000013638869 281377481 /nfs/dbraw/zinc/37/74/81/281377481.db2.gz XZNZCNRLRSZRLY-UHFFFAOYSA-N -1 0 268.363 2.498 50 0 CEAARM COc1c2ccoc2c(OC)c2oc(C(=O)[O-])cc(=O)c12 ZINC000000190186 294908905 /nfs/dbraw/zinc/90/89/05/294908905.db2.gz RQRSLXAHKHZWDY-UHFFFAOYSA-N -1 0 290.227 2.255 50 0 CEAARM COc1ccc2c(c1)CC[C@@]1(C)C2=C(C(=O)[O-])C[C@@H]1O ZINC000071772688 295260328 /nfs/dbraw/zinc/26/03/28/295260328.db2.gz RSTJGRJBZMPYSF-XJKSGUPXSA-N -1 0 274.316 2.251 50 0 CEAARM NN=c1nc(-c2ccccc2)c(-c2ccccc2)n[n-]1 ZINC000000408016 295280208 /nfs/dbraw/zinc/28/02/08/295280208.db2.gz CBWZPMAODJSGAT-UHFFFAOYSA-N -1 0 263.304 2.491 50 0 CEAARM COc1ccc2oc(N3CCC[C@@H](C(=O)[O-])C3)nc2c1 ZINC000034924880 295280634 /nfs/dbraw/zinc/28/06/34/295280634.db2.gz UKQPRBNJAGUDNL-SECBINFHSA-N -1 0 276.292 2.137 50 0 CEAARM C[C@@]12CCc3ccccc3[C@]1(C)N(CC(=O)[O-])C(=O)O2 ZINC000004698084 297940003 /nfs/dbraw/zinc/94/00/03/297940003.db2.gz DOYDZBOJDKKKHS-CABCVRRESA-N -1 0 275.304 2.144 50 0 CEAARM O=C1[N-]S(=O)(=O)c2ccccc2Sc2ccccc21 ZINC000000162318 304680001 /nfs/dbraw/zinc/68/00/01/304680001.db2.gz DTUQCXDOQQCCLT-UHFFFAOYSA-N -1 0 291.353 2.270 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc2n1 ZINC000019518313 301097690 /nfs/dbraw/zinc/09/76/90/301097690.db2.gz ZUBNHBKUJOHPCH-AWEZNQCLSA-N -1 0 284.315 2.232 50 0 CEAARM Cc1cc(C(F)(F)F)nc(N2CCC(C(=O)[O-])CC2)n1 ZINC000002538896 301159890 /nfs/dbraw/zinc/15/98/90/301159890.db2.gz DNHULROXXDYNPF-UHFFFAOYSA-N -1 0 289.257 2.105 50 0 CEAARM Cc1ccc(-c2nnc3c(C(=O)[O-])cccn23)cc1 ZINC000020273893 301470136 /nfs/dbraw/zinc/47/01/36/301470136.db2.gz SBQXCEKGEAPNPT-UHFFFAOYSA-N -1 0 253.261 2.403 50 0 CEAARM Cc1ccnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000000214295 302277449 /nfs/dbraw/zinc/27/74/49/302277449.db2.gz PZSQDIOHIRKCLM-MNOVXSKESA-N -1 0 262.309 2.220 50 0 CEAARM Cc1sc2cc(C(=O)[O-])[nH]c2c1C(=O)N1CCCC1 ZINC000169676768 302881164 /nfs/dbraw/zinc/88/11/64/302881164.db2.gz XSSPNWFTBBIHBQ-UHFFFAOYSA-N -1 0 278.333 2.472 50 0 CEAARM Cn1c2cccc(F)c2nc1N1CCC[C@H](C(=O)[O-])C1 ZINC000263425950 302901532 /nfs/dbraw/zinc/90/15/32/302901532.db2.gz RFFOQXMAUBJJFI-VIFPVBQESA-N -1 0 277.299 2.013 50 0 CEAARM Nc1ccc(Cl)c(Br)c1C(=O)[O-] ZINC000034218879 303495843 /nfs/dbraw/zinc/49/58/43/303495843.db2.gz PXHYZQUJCFJBRY-UHFFFAOYSA-N -1 0 250.479 2.383 50 0 CEAARM COc1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000534585842 328315189 /nfs/dbraw/zinc/31/51/89/328315189.db2.gz JFHJPBPZNRQSCN-UHFFFAOYSA-N -1 0 273.244 2.154 50 0 CEAARM CCOc1ccc(-c2cnn(CC(=O)[O-])c2C)cc1 ZINC000534642925 328329196 /nfs/dbraw/zinc/32/91/96/328329196.db2.gz ZHFWIEIRLMXELR-UHFFFAOYSA-N -1 0 260.293 2.342 50 0 CEAARM COc1cc(C)cc(OC)c1-c1cn(C)nc1C(=O)[O-] ZINC000534635589 328333516 /nfs/dbraw/zinc/33/35/16/328333516.db2.gz WXTLFQNYBRXYOF-UHFFFAOYSA-N -1 0 276.292 2.111 50 0 CEAARM C[C@@H]1CC[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)O1 ZINC000155481471 524562214 /nfs/dbraw/zinc/56/22/14/524562214.db2.gz WRUDHGDTKHMBHS-XBFCOCLRSA-N -1 0 291.347 2.276 50 0 CEAARM CCN(CC(=O)[O-])C(=O)c1cccc(F)c1Cl ZINC000097018034 527931802 /nfs/dbraw/zinc/93/18/02/527931802.db2.gz VGQYNXSBNNXKMT-UHFFFAOYSA-N -1 0 259.664 2.026 50 0 CEAARM Cc1cc(CC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)no1 ZINC000738230787 574855233 /nfs/dbraw/zinc/85/52/33/574855233.db2.gz MWKPCHDBIJTVAJ-DAXSKMNVSA-N -1 0 286.287 2.262 50 0 CEAARM O=C([O-])C=Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000098002801 627675039 /nfs/dbraw/zinc/67/50/39/627675039.db2.gz LOZCGIWRITWTNX-BAQGIRSFSA-N -1 0 284.271 2.137 50 0 CEAARM O=C([O-])c1ccc(CCNC(=O)OCC2CC2)cc1 ZINC000864091469 646897903 /nfs/dbraw/zinc/89/79/03/646897903.db2.gz XCQDQLDHNOSBKZ-UHFFFAOYSA-N -1 0 263.293 2.064 50 0 CEAARM COCc1cc(=O)n2[n-]c(C)c(-c3ccccc3OC)c2n1 ZINC000105599722 813002488 /nfs/dbraw/zinc/00/24/88/813002488.db2.gz QHODKBOETMGJQI-UHFFFAOYSA-N -1 0 299.330 2.153 50 0 CEAARM Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1C(=O)[O-] ZINC000071745374 813252536 /nfs/dbraw/zinc/25/25/36/813252536.db2.gz NYQCNEZHMGPKBQ-LLVKDONJSA-N -1 0 290.323 2.050 50 0 CEAARM CC(C)n1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000095505561 185000511 /nfs/dbraw/zinc/00/05/11/185000511.db2.gz DKICFNIAHISDCV-UHFFFAOYSA-N -1 0 287.319 2.092 50 0 CEAARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CCO ZINC000095626621 185015875 /nfs/dbraw/zinc/01/58/75/185015875.db2.gz NBQNBISPSRUQOO-LLVKDONJSA-N -1 0 252.701 2.061 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000269203438 190476506 /nfs/dbraw/zinc/47/65/06/190476506.db2.gz SGPJOOBJHKHFAK-UTLUCORTSA-N -1 0 295.285 2.001 50 0 CEAARM Cc1nc([N-]S(=O)(=O)c2ccc3ccccc3c2)no1 ZINC000095994074 185059700 /nfs/dbraw/zinc/05/97/00/185059700.db2.gz PRNKOLFBPIAWFL-UHFFFAOYSA-N -1 0 289.316 2.332 50 0 CEAARM Cc1nc([N-]S(=O)(=O)c2cccc(C(C)C)c2)no1 ZINC000095994090 185059711 /nfs/dbraw/zinc/05/97/11/185059711.db2.gz ZOLZJKMHCOQNQI-UHFFFAOYSA-N -1 0 281.337 2.302 50 0 CEAARM O=S(=O)([N-]CCc1ccoc1)c1c(F)cccc1F ZINC000096024630 185066284 /nfs/dbraw/zinc/06/62/84/185066284.db2.gz GIEKRGPHQRHBKG-UHFFFAOYSA-N -1 0 287.287 2.079 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000033441709 361780194 /nfs/dbraw/zinc/78/01/94/361780194.db2.gz OEUSBTSLVRMCRY-LBPRGKRZSA-N -1 0 281.739 2.348 50 0 CEAARM O=C([O-])c1csc(Nc2ccc3c(c2)OCO3)n1 ZINC000033507839 361782653 /nfs/dbraw/zinc/78/26/53/361782653.db2.gz 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FVEBJVPLTZOSOJ-OBJOEFQTSA-N -1 0 291.322 2.395 50 0 CEAARM CCOc1cc(C(=O)[O-])ccc1I ZINC000028278483 343396378 /nfs/dbraw/zinc/39/63/78/343396378.db2.gz SCLKNIQVZIFYMS-UHFFFAOYSA-N -1 0 292.072 2.388 50 0 CEAARM Cc1c2c(sc1NC(=O)c1n[nH]c(=O)[n-]1)CCCC2 ZINC000075092979 343837027 /nfs/dbraw/zinc/83/70/27/343837027.db2.gz ABJPSSRYATYMRY-UHFFFAOYSA-N -1 0 278.337 2.011 50 0 CEAARM CNC(=O)c1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1 ZINC000096483124 529934235 /nfs/dbraw/zinc/93/42/35/529934235.db2.gz JQJWGIKJANNPCX-XBXARRHUSA-N -1 0 282.299 2.310 50 0 CEAARM CCN(C[C@@H]1CCCO1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000048968880 362318176 /nfs/dbraw/zinc/31/81/76/362318176.db2.gz SKFQRIKCPNZHAI-ZDUSSCGKSA-N -1 0 277.320 2.026 50 0 CEAARM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1ccccc1)c2=O ZINC000049002031 362321613 /nfs/dbraw/zinc/32/16/13/362321613.db2.gz QWMLCVCYOVFPNZ-UHFFFAOYSA-N -1 0 279.299 2.484 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/c1cccnc1 ZINC000050922089 362423281 /nfs/dbraw/zinc/42/32/81/362423281.db2.gz 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299.256 2.051 50 0 CEAARM Cc1noc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C ZINC000095426063 364370310 /nfs/dbraw/zinc/37/03/10/364370310.db2.gz VKFJGUXUMMIQBA-UHFFFAOYSA-N -1 0 294.332 2.027 50 0 CEAARM COc1cccc([C@@H](CNC(=O)C(C)(C)C)C(=O)[O-])c1 ZINC000095470412 364387917 /nfs/dbraw/zinc/38/79/17/364387917.db2.gz IHOMDVLIYWINNT-GFCCVEGCSA-N -1 0 279.336 2.026 50 0 CEAARM CC(C)(C)OC(=O)N1CC[C@H](CC(=O)[O-])[C@@H](F)C1 ZINC000095629987 364392747 /nfs/dbraw/zinc/39/27/47/364392747.db2.gz QPBYZDLGSYTGHU-BDAKNGLRSA-N -1 0 261.293 2.056 50 0 CEAARM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](F)C1 ZINC000095629988 364393618 /nfs/dbraw/zinc/39/36/18/364393618.db2.gz QPBYZDLGSYTGHU-IUCAKERBSA-N -1 0 261.293 2.056 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1cc(F)ccc1F ZINC000097049993 364434332 /nfs/dbraw/zinc/43/43/32/364434332.db2.gz UTCKPTHYTJLAOU-GFCCVEGCSA-N -1 0 297.301 2.363 50 0 CEAARM CC[C@@H](CNC(=O)C1(C(=O)[O-])CC1)c1ccccc1 ZINC000097080125 364440661 /nfs/dbraw/zinc/44/06/61/364440661.db2.gz 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O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000218533966 304146084 /nfs/dbraw/zinc/14/60/84/304146084.db2.gz XFXLYVUMVFHJHN-JHJVBQTASA-N -1 0 259.305 2.071 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC1CCOCC1 ZINC000299752514 304146608 /nfs/dbraw/zinc/14/66/08/304146608.db2.gz UIXPSVIKHCKAFV-RDBSUJKOSA-N -1 0 295.379 2.047 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@]2(CC2(F)F)C[C@@H]1C(=O)[O-] ZINC000214833420 370171225 /nfs/dbraw/zinc/17/12/25/370171225.db2.gz OXXSWURHJYLTIL-RDDDGLTNSA-N -1 0 277.267 2.106 50 0 CEAARM CN(Cc1cnc2ccccn12)Cc1cccc(C(=O)[O-])n1 ZINC000215103206 370173527 /nfs/dbraw/zinc/17/35/27/370173527.db2.gz NZFHNCQTGNXWGB-UHFFFAOYSA-N -1 0 296.330 2.060 50 0 CEAARM O=C([O-])c1ccccc1-c1ccc(CN2CCOCC2)cn1 ZINC000215754952 370179464 /nfs/dbraw/zinc/17/94/64/370179464.db2.gz INSAVCGWGUCPDP-UHFFFAOYSA-N -1 0 298.342 2.279 50 0 CEAARM C[C@H](CN(C(=O)Cc1cc(F)ccc1F)C1CC1)C(=O)[O-] ZINC000195552020 370140779 /nfs/dbraw/zinc/14/07/79/370140779.db2.gz 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/nfs/dbraw/zinc/29/69/39/370296939.db2.gz ZAYHFCJGUAQLGQ-UHFFFAOYSA-N -1 0 269.366 2.279 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cccs1 ZINC000225558491 370303840 /nfs/dbraw/zinc/30/38/40/370303840.db2.gz ZNNVMVALFFMOTA-OPRDCNLKSA-N -1 0 265.334 2.132 50 0 CEAARM CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000232453148 370505967 /nfs/dbraw/zinc/50/59/67/370505967.db2.gz FAEKQEYYANMAOH-NEPJUHHUSA-N -1 0 275.304 2.329 50 0 CEAARM CC(C)c1ccsc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000236811693 370633048 /nfs/dbraw/zinc/63/30/48/370633048.db2.gz SMLJOLUKGCWYPR-JTQLQIEISA-N -1 0 297.376 2.187 50 0 CEAARM CC1CCC(=CC(=O)N2CC[C@](C)(C(=O)[O-])C2)CC1 ZINC000236656374 189837518 /nfs/dbraw/zinc/83/75/18/189837518.db2.gz RVHLHZFUNLUOFM-MHTVFEQDSA-N -1 0 265.353 2.446 50 0 CEAARM CC(C)(C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000236693406 189839632 /nfs/dbraw/zinc/83/96/32/189839632.db2.gz ZEIFNVMCGYCAMD-SNVBAGLBSA-N -1 0 279.311 2.036 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(C2CC2)no1 ZINC000250846423 371392583 /nfs/dbraw/zinc/39/25/83/371392583.db2.gz NDTCQSZDVBAIBS-TUAOUCFPSA-N -1 0 291.351 2.165 50 0 CEAARM COc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000252445947 371439569 /nfs/dbraw/zinc/43/95/69/371439569.db2.gz JJXWTAMOXRIWNI-MJBXVCDLSA-N -1 0 289.331 2.079 50 0 CEAARM CC1=CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000262083308 371820111 /nfs/dbraw/zinc/82/01/11/371820111.db2.gz HBJUTFPNFFTBSY-UHFFFAOYSA-N -1 0 273.332 2.496 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000263364120 371936883 /nfs/dbraw/zinc/93/68/83/371936883.db2.gz ZHEIUEYQDXYAHY-KYXWUPHJSA-N -1 0 293.285 2.335 50 0 CEAARM Cc1nc(CNC(=O)c2ccc(C(=O)[O-])s2)sc1C ZINC000262709882 371899544 /nfs/dbraw/zinc/89/95/44/371899544.db2.gz BJHKRQUZVFPBDN-UHFFFAOYSA-N -1 0 296.373 2.450 50 0 CEAARM CC[C@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CCO1 ZINC000263128831 371928807 /nfs/dbraw/zinc/92/88/07/371928807.db2.gz 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O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000299742509 379125763 /nfs/dbraw/zinc/12/57/63/379125763.db2.gz JSTSDGUEDPBIHF-FXAINCCUSA-N -1 0 295.285 2.001 50 0 CEAARM Cc1ccccc1C1(C(=O)N(C)CCCC(=O)[O-])CC1 ZINC000299750729 379126681 /nfs/dbraw/zinc/12/66/81/379126681.db2.gz OESLXWXDEQUFGA-UHFFFAOYSA-N -1 0 275.348 2.350 50 0 CEAARM CN(CCC(=O)[O-])C(=O)c1sccc1C1CC1 ZINC000299750985 379127321 /nfs/dbraw/zinc/12/73/21/379127321.db2.gz PAGIKRNXXGXHFI-UHFFFAOYSA-N -1 0 253.323 2.172 50 0 CEAARM COc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299753871 379127565 /nfs/dbraw/zinc/12/75/65/379127565.db2.gz ZPIIWSARDGOORQ-UPJWGTAASA-N -1 0 289.331 2.079 50 0 CEAARM O=C([O-])c1c(O)cnc2c(Br)cccc21 ZINC000084122388 304217780 /nfs/dbraw/zinc/21/77/80/304217780.db2.gz IDQNDKUXCCOUHX-UHFFFAOYSA-N -1 0 268.066 2.401 50 0 CEAARM O=C([O-])c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000317869 169606837 /nfs/dbraw/zinc/60/68/37/169606837.db2.gz IEDOXQLHAOETIL-UHFFFAOYSA-N -1 0 299.282 2.044 50 0 CEAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000000311616 304248276 /nfs/dbraw/zinc/24/82/76/304248276.db2.gz IEQUUQVDFBYTQG-UHFFFAOYSA-N -1 0 290.300 2.105 50 0 CEAARM O=C1[N-]C(C(F)(F)F)(C(F)(F)F)N=C2SC=CN21 ZINC000001781445 296359803 /nfs/dbraw/zinc/35/98/03/296359803.db2.gz LHDUXZJXKHLNFP-UHFFFAOYSA-N -1 0 291.176 2.407 50 0 CEAARM O=C([O-])c1ccc2[nH]cc(I)c2c1 ZINC000058041736 304251474 /nfs/dbraw/zinc/25/14/74/304251474.db2.gz NQRKORQSFPAVTN-UHFFFAOYSA-N -1 0 287.056 2.471 50 0 CEAARM O=C([O-])c1ccc2c(c1)-c1nc3ccccc3n1C2=O ZINC000000333232 304252004 /nfs/dbraw/zinc/25/20/04/304252004.db2.gz VKTUBCRJUGVAEU-UHFFFAOYSA-N -1 0 264.240 2.403 50 0 CEAARM O=C([O-])c1cccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043428989 304256295 /nfs/dbraw/zinc/25/62/95/304256295.db2.gz UINNLUIQHOOJAP-KBPBESRZSA-N -1 0 289.331 2.168 50 0 CEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000238210109 304257503 /nfs/dbraw/zinc/25/75/03/304257503.db2.gz 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/nfs/dbraw/zinc/01/36/93/131013693.db2.gz MDOAYJVEZYPKFC-GFCCVEGCSA-N -1 0 279.336 2.176 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000237279495 131019899 /nfs/dbraw/zinc/01/98/99/131019899.db2.gz WZZJEVNLXSHYDL-KBPBESRZSA-N -1 0 275.348 2.422 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000237656108 131051590 /nfs/dbraw/zinc/05/15/90/131051590.db2.gz JSCLDBUHWJRLDY-HNNXBMFYSA-N -1 0 290.294 2.244 50 0 CEAARM Cc1ncc(CN(C)C(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000261901102 131177058 /nfs/dbraw/zinc/17/70/58/131177058.db2.gz GNLFEYQONITHOQ-UHFFFAOYSA-N -1 0 296.373 2.483 50 0 CEAARM C[C@H]1C[C@@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1 ZINC000262847712 131267931 /nfs/dbraw/zinc/26/79/31/131267931.db2.gz BDKMFQPHAARFEC-IUCAKERBSA-N -1 0 281.283 2.278 50 0 CEAARM O=C([O-])C1CCN(c2ccnc(C(F)(F)F)c2)CC1 ZINC000086012979 135038542 /nfs/dbraw/zinc/03/85/42/135038542.db2.gz NSWPHAOPEFSTKD-UHFFFAOYSA-N -1 0 274.242 2.401 50 0 CEAARM C[C@@H](C[C@H]1CC(C)(C)OC1=O)c1n[nH]c(=S)[nH]1 ZINC000005911950 394458923 /nfs/dbraw/zinc/45/89/23/394458923.db2.gz QNGJBKWJBLDJIY-BQBZGAKWSA-N -1 0 255.343 2.303 50 0 CEAARM CCC1(c2ccc(C)cc2)C(=O)NC(=S)NC1=O ZINC000005954804 394458965 /nfs/dbraw/zinc/45/89/65/394458965.db2.gz FOKRXEOEPBXDII-UHFFFAOYSA-N -1 0 262.334 2.014 50 0 CEAARM Cc1ccc(NC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000012756844 394463676 /nfs/dbraw/zinc/46/36/76/394463676.db2.gz HQENMASFLKHMPO-UHFFFAOYSA-N -1 0 279.303 2.427 50 0 CEAARM CC(C)c1c(C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000037312337 394496453 /nfs/dbraw/zinc/49/64/53/394496453.db2.gz CZYIINQQAIZJGD-UHFFFAOYSA-N -1 0 267.235 2.367 50 0 CEAARM CC[C@@H](NC(=O)c1ccc2sc(C)nc2c1)C(=O)[O-] ZINC000426712043 395078763 /nfs/dbraw/zinc/07/87/63/395078763.db2.gz NHHZBVHBWHLZSZ-SECBINFHSA-N -1 0 278.333 2.198 50 0 CEAARM O=C(CN1CCCCCCC1=O)[N-]OCc1ccccc1 ZINC000048062335 400187958 /nfs/dbraw/zinc/18/79/58/400187958.db2.gz YKRRSMDWRPPDFD-UHFFFAOYSA-N -1 0 290.363 2.027 50 0 CEAARM C[C@@H](c1cc2ccccc2o1)N1C[C@@H](C(=O)[O-])CC1=O ZINC000048265688 400191564 /nfs/dbraw/zinc/19/15/64/400191564.db2.gz NELWHWIHRIWKDI-ONGXEEELSA-N -1 0 273.288 2.427 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000108324770 400267528 /nfs/dbraw/zinc/26/75/28/400267528.db2.gz IQVLHWFHSQSKIA-OPQQBVKSSA-N -1 0 295.285 2.253 50 0 CEAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169967202 400286543 /nfs/dbraw/zinc/28/65/43/400286543.db2.gz GIHBAHKYQKLNRE-NXEZZACHSA-N -1 0 287.237 2.010 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C\c2cccs2)C1 ZINC000213921801 400304354 /nfs/dbraw/zinc/30/43/54/400304354.db2.gz NLGFXNPCHNMEMM-DSYXLKISSA-N -1 0 265.334 2.085 50 0 CEAARM O=C([O-])Cc1ccc(NC(=O)CC[C@H]2CCCO2)cc1F ZINC000263083286 154016316 /nfs/dbraw/zinc/01/63/16/154016316.db2.gz BMGGYAOSDIQAIB-GFCCVEGCSA-N -1 0 295.310 2.351 50 0 CEAARM C[C@H](CNc1cnc(C(=O)[O-])cn1)N(C)c1ccccc1 ZINC000263405346 154078820 /nfs/dbraw/zinc/07/88/20/154078820.db2.gz KHPVBTLAIYZTJK-LLVKDONJSA-N -1 0 286.335 2.112 50 0 CEAARM C[C@H](CN(C)c1nccc(Oc2ccccc2)n1)C(=O)[O-] ZINC000263551657 154126479 /nfs/dbraw/zinc/12/64/79/154126479.db2.gz LGNOGWZUYUVLDX-LLVKDONJSA-N -1 0 287.319 2.426 50 0 CEAARM C[C@@H](CN(C)c1ccnc2ccsc21)C(=O)[O-] ZINC000263566085 154128415 /nfs/dbraw/zinc/12/84/15/154128415.db2.gz WGMOJWQIDVRLEK-QMMMGPOBSA-N -1 0 250.323 2.453 50 0 CEAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263577972 154131182 /nfs/dbraw/zinc/13/11/82/154131182.db2.gz SCVNICREZBEPLJ-KBPBESRZSA-N -1 0 291.347 2.062 50 0 CEAARM C[C@H](CN(C)c1ccnc2ccsc21)C(=O)[O-] ZINC000263566084 154131324 /nfs/dbraw/zinc/13/13/24/154131324.db2.gz WGMOJWQIDVRLEK-MRVPVSSYSA-N -1 0 250.323 2.453 50 0 CEAARM C[C@H](C(=O)c1cc(Cl)c(Cl)cc1O)S(=O)(=O)[O-] ZINC000095918138 298227968 /nfs/dbraw/zinc/22/79/68/298227968.db2.gz GFXXNIWLJKZUKS-SCSAIBSYSA-N -1 0 299.131 2.158 50 0 CEAARM Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000004938623 170042577 /nfs/dbraw/zinc/04/25/77/170042577.db2.gz UQUSDSQNZNYZFP-UHFFFAOYSA-N -1 0 296.402 2.437 50 0 CEAARM CCc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1OC ZINC000004937483 170042710 /nfs/dbraw/zinc/04/27/10/170042710.db2.gz ZJXKQTAYEBLZRC-UHFFFAOYSA-N -1 0 292.360 2.453 50 0 CEAARM CC(C)(C)c1ccc(-n2[n-]cc(-n3cncn3)c2=O)cc1 ZINC000005624956 170121457 /nfs/dbraw/zinc/12/14/57/170121457.db2.gz JSVAQRMWZXBWOT-UHFFFAOYSA-N -1 0 283.335 2.456 50 0 CEAARM CCOC(=O)c1cc(C)sc1NC(=O)CCCC(=O)[O-] ZINC000005953205 170161504 /nfs/dbraw/zinc/16/15/04/170161504.db2.gz PXXJOBSMRQGIMI-UHFFFAOYSA-N -1 0 299.348 2.427 50 0 CEAARM O=C([O-])CCCCCCSc1ncnc2[nH]cnc21 ZINC000006188110 170181585 /nfs/dbraw/zinc/18/15/85/170181585.db2.gz HRPZUGLMHWAASU-UHFFFAOYSA-N -1 0 280.353 2.480 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000006300444 170189516 /nfs/dbraw/zinc/18/95/16/170189516.db2.gz DEOBVWIARXAOEC-UHFFFAOYSA-N -1 0 262.334 2.499 50 0 CEAARM O=S(=O)([N-]c1cccnc1)c1ccc(F)c(F)c1 ZINC000006698450 170227700 /nfs/dbraw/zinc/22/77/00/170227700.db2.gz OQFLPJFLKCMHEN-UHFFFAOYSA-N -1 0 270.260 2.161 50 0 CEAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1F ZINC000006706917 170231046 /nfs/dbraw/zinc/23/10/46/170231046.db2.gz OPXDKKUHRKVPHY-UHFFFAOYSA-N -1 0 282.296 2.030 50 0 CEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000006706477 170231263 /nfs/dbraw/zinc/23/12/63/170231263.db2.gz KKIAFCKUHJNMJM-UHFFFAOYSA-N -1 0 279.365 2.146 50 0 CEAARM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cn1 ZINC000007056537 170265185 /nfs/dbraw/zinc/26/51/85/170265185.db2.gz XLGRVEBIFPYWSZ-UHFFFAOYSA-N -1 0 282.296 2.030 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000008765080 170354644 /nfs/dbraw/zinc/35/46/44/170354644.db2.gz SKNWPQGTUNBHPR-NSHDSACASA-N -1 0 286.331 2.034 50 0 CEAARM CCCN1C(=O)S[C@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000012136855 170470381 /nfs/dbraw/zinc/47/03/81/170470381.db2.gz NAMFKQQRNNDYLX-JTQLQIEISA-N -1 0 294.332 2.228 50 0 CEAARM CCn1ncc(-c2noc3nc(C)cc(C(=O)[O-])c32)c1C ZINC000012396053 170484074 /nfs/dbraw/zinc/48/40/74/170484074.db2.gz AXHOOMROYBICLH-UHFFFAOYSA-N -1 0 286.291 2.421 50 0 CEAARM CC(=O)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000013466059 170552351 /nfs/dbraw/zinc/55/23/51/170552351.db2.gz BZCOJKQCVCRIOF-NEBZKDRISA-N -1 0 299.326 2.351 50 0 CEAARM O=C([O-])COCCc1ccc(Br)cc1 ZINC000020273864 171131037 /nfs/dbraw/zinc/13/10/37/171131037.db2.gz VYXSSNOVENWTFH-UHFFFAOYSA-N -1 0 259.099 2.093 50 0 CEAARM O=C([O-])c1ccc(SCC(=O)N2CCCC2)cc1 ZINC000022220121 171377389 /nfs/dbraw/zinc/37/73/89/171377389.db2.gz CVJWQQLNIGSIQN-UHFFFAOYSA-N -1 0 265.334 2.099 50 0 CEAARM Nc1c(Cl)cc(NC(=O)/C=C\C(=O)[O-])cc1Cl ZINC000032313788 171724397 /nfs/dbraw/zinc/72/43/97/171724397.db2.gz VGHDBOKWFSYITP-UPHRSURJSA-N -1 0 275.091 2.155 50 0 CEAARM Cc1nn(C)c2c1ncnc2Nc1cccc(C(=O)[O-])c1 ZINC000032650229 171742555 /nfs/dbraw/zinc/74/25/55/171742555.db2.gz CMWJTVWEVZDUEY-UHFFFAOYSA-N -1 0 283.291 2.114 50 0 CEAARM C[C@H](C(=O)[O-])c1ccc(I)cc1 ZINC000034500001 171841938 /nfs/dbraw/zinc/84/19/38/171841938.db2.gz RMPXUPUAZGKDBN-LURJTMIESA-N -1 0 276.073 2.479 50 0 CEAARM CCC[C@@](C)(NC(=O)c1ccc(COC)cc1)C(=O)[O-] ZINC000036339113 172623106 /nfs/dbraw/zinc/62/31/06/172623106.db2.gz WBARQVICWKHNBZ-OAHLLOKOSA-N -1 0 279.336 2.206 50 0 CEAARM Cc1ccc(/C=C/C(=O)N[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000036981353 172848754 /nfs/dbraw/zinc/84/87/54/172848754.db2.gz AAVZVLOMHYIELC-SYTKJHMZSA-N -1 0 261.321 2.296 50 0 CEAARM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccccc1 ZINC000037411896 173188772 /nfs/dbraw/zinc/18/87/72/173188772.db2.gz IBCBJYAGCCMNAJ-LBPRGKRZSA-N -1 0 290.706 2.291 50 0 CEAARM O=C([O-])c1ccccc1SCc1cc(=O)c(O)co1 ZINC000037414858 173191610 /nfs/dbraw/zinc/19/16/10/173191610.db2.gz PAYXGPWJZLIQPP-UHFFFAOYSA-N -1 0 278.285 2.336 50 0 CEAARM Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436219 173207462 /nfs/dbraw/zinc/20/74/62/173207462.db2.gz AURZXKGKQKOTBH-NSHDSACASA-N -1 0 286.331 2.413 50 0 CEAARM O=C([O-])C1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000037561231 173271089 /nfs/dbraw/zinc/27/10/89/173271089.db2.gz RLNHUMZECNXLJX-UHFFFAOYSA-N -1 0 283.274 2.338 50 0 CEAARM COc1ccc(C(=O)CCCCCC(=O)[O-])cn1 ZINC000043210591 174984344 /nfs/dbraw/zinc/98/43/44/174984344.db2.gz AMTRSUMLKBUQDX-UHFFFAOYSA-N -1 0 251.282 2.308 50 0 CEAARM COc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)C)c1 ZINC000045922792 175386728 /nfs/dbraw/zinc/38/67/28/175386728.db2.gz CYPZKFULBAXMBS-GXTWGEPZSA-N -1 0 277.320 2.078 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cccc(Cl)c1 ZINC000052944195 175541144 /nfs/dbraw/zinc/54/11/44/175541144.db2.gz TZALUQNRFVYSOJ-LBPRGKRZSA-N -1 0 281.739 2.348 50 0 CEAARM Cc1ccc(F)cc1-c1noc(SCC(=O)[O-])n1 ZINC000061881312 175657041 /nfs/dbraw/zinc/65/70/41/175657041.db2.gz CLWUIECVWQIPHC-UHFFFAOYSA-N -1 0 268.269 2.361 50 0 CEAARM Cc1cn(C)c(CC(=O)N2CCc3ccccc32)c1C(=O)[O-] ZINC000064980582 175699818 /nfs/dbraw/zinc/69/98/18/175699818.db2.gz NCMZVJPRKBMKNF-UHFFFAOYSA-N -1 0 298.342 2.164 50 0 CEAARM Cc1ccccc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000071731100 176256199 /nfs/dbraw/zinc/25/61/99/176256199.db2.gz XBDGQFOTLGCZMB-LLVKDONJSA-N -1 0 261.321 2.320 50 0 CEAARM C[C@H](CN(C(=O)/C=C/c1ccco1)C1CC1)C(=O)[O-] ZINC000071733882 176257399 /nfs/dbraw/zinc/25/73/99/176257399.db2.gz JYZQJLFNUUGNPW-VQCYPWCPSA-N -1 0 263.293 2.005 50 0 CEAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccc(Cl)cc1 ZINC000000333966 278075166 /nfs/dbraw/zinc/07/51/66/278075166.db2.gz ITFOVUAHECKYBQ-MNOVXSKESA-N -1 0 285.752 2.387 50 0 CEAARM CC1(NC(=O)c2ccc([O-])c(Cl)c2)CCOCC1 ZINC000097080123 278470107 /nfs/dbraw/zinc/47/01/07/278470107.db2.gz PHBVMJOXCHUEKY-UHFFFAOYSA-N -1 0 269.728 2.345 50 0 CEAARM CC(C)[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000225565304 280099481 /nfs/dbraw/zinc/09/94/81/280099481.db2.gz OSAGMEWXWBDKTL-VHSXEESVSA-N -1 0 257.330 2.353 50 0 CEAARM CC1=CC[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])CC1 ZINC000012954597 281686314 /nfs/dbraw/zinc/68/63/14/281686314.db2.gz QHRVAAFYUFUMGU-CYBMUJFWSA-N -1 0 255.314 2.465 50 0 CEAARM CCC(CC)(CC(=O)Nc1ccccc1CO)C(=O)[O-] ZINC000010824275 282048432 /nfs/dbraw/zinc/04/84/32/282048432.db2.gz LWLCFKQAZPGKLL-UHFFFAOYSA-N -1 0 279.336 2.399 50 0 CEAARM CCc1cc(=O)oc2c(C)c([O-])c(-c3ccnc(N)n3)cc12 ZINC000012901594 288516201 /nfs/dbraw/zinc/51/62/01/288516201.db2.gz OYYROGJDWYYTQY-UHFFFAOYSA-N -1 0 297.314 2.409 50 0 CEAARM CCCn1nccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000566507094 298997552 /nfs/dbraw/zinc/99/75/52/298997552.db2.gz PNYJLCFIWGPRLM-LBPRGKRZSA-N -1 0 299.330 2.122 50 0 CEAARM Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000031775765 301265446 /nfs/dbraw/zinc/26/54/46/301265446.db2.gz WWAIMIHOWSCVQH-ZDUSSCGKSA-N -1 0 271.320 2.201 50 0 CEAARM Cc1ccc(-n2cc(C(=O)[O-])c(=O)cc2C)c(C)c1 ZINC000020365556 301477345 /nfs/dbraw/zinc/47/73/45/301477345.db2.gz IUNLCUDOBQNPRG-UHFFFAOYSA-N -1 0 257.289 2.461 50 0 CEAARM Cc1ccc(F)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000052980780 301603466 /nfs/dbraw/zinc/60/34/66/301603466.db2.gz LJRJRYDILVQQSQ-GFCCVEGCSA-N -1 0 265.284 2.213 50 0 CEAARM Cc1ccsc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000019436617 302299906 /nfs/dbraw/zinc/29/99/06/302299906.db2.gz ZMUREDYBGKWYMM-SECBINFHSA-N -1 0 253.323 2.136 50 0 CEAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000097035949 302313074 /nfs/dbraw/zinc/31/30/74/302313074.db2.gz FHTSLVOFZJGCIC-VHSXEESVSA-N -1 0 267.350 2.093 50 0 CEAARM Cc1cnc(-c2ccc(CC(=O)[O-])cc2)nc1N(C)C ZINC000215566586 302330257 /nfs/dbraw/zinc/33/02/57/302330257.db2.gz QARILRVKIUYVBQ-UHFFFAOYSA-N -1 0 271.320 2.145 50 0 CEAARM Cc1cscc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000094246319 302461808 /nfs/dbraw/zinc/46/18/08/302461808.db2.gz OOHWYTHRWJJXET-SNVBAGLBSA-N -1 0 253.323 2.136 50 0 CEAARM O=C([O-])[C@@H](CNC(=O)c1ccccc1)Cc1ccccc1 ZINC000097228586 321694602 /nfs/dbraw/zinc/69/46/02/321694602.db2.gz ILRWEGLEEIGDAE-OAHLLOKOSA-N -1 0 283.327 2.360 50 0 CEAARM Cc1c(C(=O)NC2(CC(=O)[O-])CCCCC2)ccn1C ZINC000534577766 328310600 /nfs/dbraw/zinc/31/06/00/328310600.db2.gz OVIXIMKSOWQBTG-UHFFFAOYSA-N -1 0 278.352 2.241 50 0 CEAARM CCCCc1nc(Cl)c(CN2CCC[C@H]2C(=O)[O-])[nH]1 ZINC000534586329 328315652 /nfs/dbraw/zinc/31/56/52/328315652.db2.gz BMYPSUYSOVOVGH-JTQLQIEISA-N -1 0 285.775 2.455 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000236625001 518409338 /nfs/dbraw/zinc/40/93/38/518409338.db2.gz ZVQQJLNHYCFRMG-ASCRHOAZSA-N -1 0 277.295 2.305 50 0 CEAARM C[C@@H](CN(C(=O)/C=C\c1ccco1)C1CC1)C(=O)[O-] ZINC000221732723 599923468 /nfs/dbraw/zinc/92/34/68/599923468.db2.gz JYZQJLFNUUGNPW-GFVADAIESA-N -1 0 263.293 2.005 50 0 CEAARM C[C@@H](Cc1c[nH]c2ccccc12)N1C[C@H](C(=O)[O-])CC1=O ZINC000022205803 623226759 /nfs/dbraw/zinc/22/67/59/623226759.db2.gz CJGATUKXSYNNRM-CMPLNLGQSA-N -1 0 286.331 2.032 50 0 CEAARM CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1ccsc1 ZINC000020119390 627939627 /nfs/dbraw/zinc/93/96/27/627939627.db2.gz XOWANCPYILRMNB-UHFFFAOYSA-N -1 0 299.359 2.200 50 0 CEAARM CCCN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)NC1=S ZINC000035240426 639940596 /nfs/dbraw/zinc/94/05/96/639940596.db2.gz SFZVUXIEANCZON-DHZHZOJOSA-N -1 0 290.344 2.264 50 0 CEAARM C[C@@H](c1nnn[n-]1)N(C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000584906803 803537738 /nfs/dbraw/zinc/53/77/38/803537738.db2.gz ITGCFKJEGBNZNX-ZETCQYMHSA-N -1 0 299.256 2.052 50 0 CEAARM CO[C@H](C)CS(=O)(=O)[N-]c1nsc2ccccc21 ZINC000585129742 813695424 /nfs/dbraw/zinc/69/54/24/813695424.db2.gz UPJHLCUXCZNIEO-MRVPVSSYSA-N -1 0 286.378 2.073 50 0 CEAARM C[C@@H](CCc1ccccc1)NC(=O)CS[C@@H](C)C(=O)[O-] ZINC000006509479 230369788 /nfs/dbraw/zinc/36/97/88/230369788.db2.gz RLLVWSJVKMKRLM-RYUDHWBXSA-N -1 0 295.404 2.330 50 0 CEAARM C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc[nH]1)c1ccccc1 ZINC000097018255 230386605 /nfs/dbraw/zinc/38/66/05/230386605.db2.gz JVINNFLFUMSEIO-GWCFXTLKSA-N -1 0 272.304 2.207 50 0 CEAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC000095940211 185036722 /nfs/dbraw/zinc/03/67/22/185036722.db2.gz KRXSIXTUBVHDLO-UHFFFAOYSA-N -1 0 297.311 2.195 50 0 CEAARM CCO[N-]C(=O)COc1ccc(Br)cc1F ZINC000032848281 361760144 /nfs/dbraw/zinc/76/01/44/361760144.db2.gz XOHQAHABEHTNOO-UHFFFAOYSA-N -1 0 292.104 2.035 50 0 CEAARM O=C([O-])[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000125151113 365668074 /nfs/dbraw/zinc/66/80/74/365668074.db2.gz NHZNPAYDTGNYOJ-BDAKNGLRSA-N -1 0 272.098 2.006 50 0 CEAARM O=C([O-])c1cccn2c1nnc2-c1ccccc1F ZINC000036241202 361837059 /nfs/dbraw/zinc/83/70/59/361837059.db2.gz MRIAJCBLWJJPQC-UHFFFAOYSA-N -1 0 257.224 2.234 50 0 CEAARM C[C@@](NC(=O)c1ccc(Cl)s1)(C(=O)[O-])C1CC1 ZINC000036980522 361878738 /nfs/dbraw/zinc/87/87/38/361878738.db2.gz SKBQIQYCPUPELS-NSHDSACASA-N -1 0 273.741 2.385 50 0 CEAARM Cn1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000037437485 361903458 /nfs/dbraw/zinc/90/34/58/361903458.db2.gz LWMOTFVRKWZWDK-CQSZACIVSA-N -1 0 286.331 2.258 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2ccc3ncccc3c2)o1 ZINC000097013234 185151695 /nfs/dbraw/zinc/15/16/95/185151695.db2.gz XDYNRZTYJUISTL-UHFFFAOYSA-N -1 0 296.282 2.456 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000097009377 185151927 /nfs/dbraw/zinc/15/19/27/185151927.db2.gz VWGBEUNPONAIMS-NKWVEPMBSA-N -1 0 273.741 2.385 50 0 CEAARM CC(C)c1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000097018983 185152681 /nfs/dbraw/zinc/15/26/81/185152681.db2.gz ZHSOIKFVNCSAFY-ZDUSSCGKSA-N -1 0 282.365 2.203 50 0 CEAARM CCc1cc(C)c(C(=O)N(CCC(=O)[O-])C(C)C)o1 ZINC000097035594 185166187 /nfs/dbraw/zinc/16/61/87/185166187.db2.gz ONTJRKYUDSVLMY-UHFFFAOYSA-N -1 0 267.325 2.476 50 0 CEAARM Cc1cc(C(=O)[N-]c2nnc(-c3csc(C)n3)o2)no1 ZINC000049029246 362324870 /nfs/dbraw/zinc/32/48/70/362324870.db2.gz OLWIEKILMHOSPD-UHFFFAOYSA-N -1 0 291.292 2.050 50 0 CEAARM Cc1cccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)c1 ZINC000049452789 362362552 /nfs/dbraw/zinc/36/25/52/362362552.db2.gz LEJQOXLDWZKDFM-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM O=C(N[C@@H]1CCCCC[C@H]1CO)c1cc(F)c([O-])c(F)c1 ZINC000097377217 344245356 /nfs/dbraw/zinc/24/53/56/344245356.db2.gz DODXLJAEKWHRKJ-TVQRCGJNSA-N -1 0 299.317 2.341 50 0 CEAARM C[C@@H]1CCCC[C@H]1NC=C1c2ccccc2C(=O)NC1=O ZINC000137406609 344388017 /nfs/dbraw/zinc/38/80/17/344388017.db2.gz GLPCXKOKUPDCMP-HVTJSOBYSA-N -1 0 284.359 2.466 50 0 CEAARM O=C([O-])c1cc(-c2ccc(F)cc2)cc(-n2cnnn2)c1 ZINC000166351651 344475964 /nfs/dbraw/zinc/47/59/64/344475964.db2.gz XMCVGHNVVKCMPJ-UHFFFAOYSA-N -1 0 284.250 2.167 50 0 CEAARM O=C(Nc1[n-]c(=O)ncc1F)c1cccc(-c2ccoc2)c1 ZINC000170605953 344486229 /nfs/dbraw/zinc/48/62/29/344486229.db2.gz KSYNSJCNMOGJRA-UHFFFAOYSA-N -1 0 299.261 2.421 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cc(F)c(C)cc1F ZINC000195551111 344521508 /nfs/dbraw/zinc/52/15/08/344521508.db2.gz PYRCEZPTHVOCMT-UHFFFAOYSA-N -1 0 271.263 2.210 50 0 CEAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000585134275 345006256 /nfs/dbraw/zinc/00/62/56/345006256.db2.gz KTNGKZAXWVJQGF-LLVKDONJSA-N -1 0 287.319 2.312 50 0 CEAARM Cc1ccnc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000585134397 345006531 /nfs/dbraw/zinc/00/65/31/345006531.db2.gz 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/nfs/dbraw/zinc/81/03/35/362810335.db2.gz CRFKLEDBWMGUED-UHFFFAOYSA-N -1 0 276.313 2.455 50 0 CEAARM CC(C)(CC1CCOCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000128532882 187376421 /nfs/dbraw/zinc/37/64/21/187376421.db2.gz AUYQEXNPTSCWGD-CYBMUJFWSA-N -1 0 297.395 2.153 50 0 CEAARM O=C([O-])c1nn(-c2cc(O)c(F)c(F)c2)c2c1CCC2 ZINC000067740854 362921251 /nfs/dbraw/zinc/92/12/51/362921251.db2.gz VNLXMPRLEJSAPX-UHFFFAOYSA-N -1 0 280.230 2.043 50 0 CEAARM O=C([O-])c1ccc(C(=O)NCCOC2CCCC2)cc1 ZINC000111643945 186436451 /nfs/dbraw/zinc/43/64/51/186436451.db2.gz PNSURRBHWOOJLD-UHFFFAOYSA-N -1 0 277.320 2.074 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1coc2ccccc12 ZINC000070390083 363078122 /nfs/dbraw/zinc/07/81/22/363078122.db2.gz WRHJGUWMBNBEEY-NSHDSACASA-N -1 0 259.261 2.122 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(C)c1F ZINC000131569420 366066753 /nfs/dbraw/zinc/06/67/53/366066753.db2.gz PHIBACKRASQWKM-SNVBAGLBSA-N -1 0 267.300 2.459 50 0 CEAARM O=C([O-])/C=C/c1cc2cccc3c2n(c1=O)CCC3 ZINC000000154335 304023666 /nfs/dbraw/zinc/02/36/66/304023666.db2.gz JXLXOIXOMHOAGJ-VOTSOKGWSA-N -1 0 255.273 2.046 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000136158944 187868826 /nfs/dbraw/zinc/86/88/26/187868826.db2.gz PMQIHXRTCQEOIO-CMPLNLGQSA-N -1 0 279.311 2.252 50 0 CEAARM O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000002689594 169820112 /nfs/dbraw/zinc/82/01/12/169820112.db2.gz FDWSOYRVFPUKBF-UHFFFAOYSA-N -1 0 299.282 2.408 50 0 CEAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000000168079 304035975 /nfs/dbraw/zinc/03/59/75/304035975.db2.gz WROLMQAAISVUNC-MRVPVSSYSA-N -1 0 287.102 2.316 50 0 CEAARM Cc1cc(C)n2cc(CS[C@@H](C)C(=O)[O-])nc2n1 ZINC000169884379 188666197 /nfs/dbraw/zinc/66/61/97/188666197.db2.gz HAKKMTBVANHGNK-VIFPVBQESA-N -1 0 265.338 2.052 50 0 CEAARM Cc1cc2nc(N(C)CC(=O)[O-])sc2cc1C ZINC000074934185 363423824 /nfs/dbraw/zinc/42/38/24/363423824.db2.gz YEUYOPDFWZKBHO-UHFFFAOYSA-N -1 0 250.323 2.434 50 0 CEAARM O=C([O-])c1cccc2c(/C=N/NC(=O)c3ccco3)c[nH]c21 ZINC000004964475 540047728 /nfs/dbraw/zinc/04/77/28/540047728.db2.gz LCVFCMUVHJUPEH-CAOOACKPSA-N -1 0 297.270 2.223 50 0 CEAARM O=C([O-])CNC(=O)c1cc2cc(Br)ccc2o1 ZINC000040537893 304069271 /nfs/dbraw/zinc/06/92/71/304069271.db2.gz WSBYOBRZIWCKSV-UHFFFAOYSA-N -1 0 298.092 2.010 50 0 CEAARM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccncc1 ZINC000135279194 366421331 /nfs/dbraw/zinc/42/13/31/366421331.db2.gz VBQXWIBOIHRVTR-SECBINFHSA-N -1 0 260.268 2.417 50 0 CEAARM Cc1nc(C2CC2)oc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262812913 540410878 /nfs/dbraw/zinc/41/08/78/540410878.db2.gz UKVFOSYXZIKGSV-UHFFFAOYSA-N -1 0 290.275 2.082 50 0 CEAARM CCCn1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cn1 ZINC000191210360 540487827 /nfs/dbraw/zinc/48/78/27/540487827.db2.gz JSDIVTBVLLQZDD-GFCCVEGCSA-N -1 0 293.367 2.010 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000178258837 189100808 /nfs/dbraw/zinc/10/08/08/189100808.db2.gz JFQPUTCFSWISLD-QMMMGPOBSA-N -1 0 271.675 2.026 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCCCC1 ZINC000005828566 304097723 /nfs/dbraw/zinc/09/77/23/304097723.db2.gz VRTYWVHTHDSHOH-FIYWTHMPSA-N -1 0 265.353 2.136 50 0 CEAARM Cc1ncc(CN(C)C(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000179088499 189168344 /nfs/dbraw/zinc/16/83/44/189168344.db2.gz OHSFVPNXKYLZCA-UHFFFAOYSA-N -1 0 290.344 2.422 50 0 CEAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cccs1 ZINC000000106709 361128892 /nfs/dbraw/zinc/12/88/92/361128892.db2.gz FUFDOFLEKZHCCC-UHFFFAOYSA-N -1 0 297.357 2.320 50 0 aggregator CEAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2Br)N1 ZINC000000138390 361133190 /nfs/dbraw/zinc/13/31/90/361133190.db2.gz DRMNRFSHFUTMMM-RKDXNWHRSA-N -1 0 288.166 2.237 50 0 CEAARM Cn1nccc1NC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000000153160 361136037 /nfs/dbraw/zinc/13/60/37/361136037.db2.gz GHUGHLWLVBGWOP-LBPRGKRZSA-N -1 0 287.319 2.007 50 0 CEAARM CCOC(=O)c1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000000206526 361144621 /nfs/dbraw/zinc/14/46/21/361144621.db2.gz 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DYPGXWRGWRATMM-UHFFFAOYSA-N -1 0 257.236 2.145 50 0 CEAARM CCCc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000000315589 361160394 /nfs/dbraw/zinc/16/03/94/361160394.db2.gz VBBXLSMOGDSAGR-UHFFFAOYSA-N -1 0 283.378 2.291 50 0 CEAARM O=C([O-])[C@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000000101657 361127757 /nfs/dbraw/zinc/12/77/57/361127757.db2.gz IYXKNSQXIDNVDV-RKDXNWHRSA-N -1 0 277.267 2.494 50 0 CEAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000398292 361170539 /nfs/dbraw/zinc/17/05/39/361170539.db2.gz JIEKCPDPDLXHEE-STQMWFEESA-N -1 0 275.304 2.301 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000000428610 361173468 /nfs/dbraw/zinc/17/34/68/361173468.db2.gz LTGUIFHDHNOKIU-UHFFFAOYSA-N -1 0 265.338 2.136 50 0 CEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000000429357 361173781 /nfs/dbraw/zinc/17/37/81/361173781.db2.gz QUSCAKXXCXBLBE-UHFFFAOYSA-N -1 0 293.392 2.455 50 0 CEAARM CCOc1ccccc1NC(=O)CCCC(=O)[O-] ZINC000000462133 361176753 /nfs/dbraw/zinc/17/67/53/361176753.db2.gz ZQQJUIZXZPCNAG-UHFFFAOYSA-N -1 0 251.282 2.279 50 0 CEAARM CC(C)NC(=O)Nc1c2ccccc2[nH]c1C(=O)[O-] ZINC000000487478 361180436 /nfs/dbraw/zinc/18/04/36/361180436.db2.gz NWMKFCQFPPAGCY-UHFFFAOYSA-N -1 0 261.281 2.396 50 0 CEAARM CC[C@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)[O-] ZINC000000535944 361184389 /nfs/dbraw/zinc/18/43/89/361184389.db2.gz BAYBPXBNTXPILI-SNVBAGLBSA-N -1 0 293.319 2.303 50 0 CEAARM O=C([O-])c1cccc(NC(=O)c2ccc(F)cc2)c1O ZINC000001432221 361206118 /nfs/dbraw/zinc/20/61/18/361206118.db2.gz PRFRFASNLUVSKW-UHFFFAOYSA-N -1 0 275.235 2.482 50 0 CEAARM CCCCCOc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000002295423 361231042 /nfs/dbraw/zinc/23/10/42/361231042.db2.gz HZEZNIVDDNRXMU-OAHLLOKOSA-N -1 0 276.336 2.310 50 0 CEAARM COc1ccc(C(=O)CCCC(=O)[O-])c(OC)c1 ZINC000002573118 361241483 /nfs/dbraw/zinc/24/14/83/361241483.db2.gz UYJUMNIZLCRMCT-UHFFFAOYSA-N -1 0 252.266 2.141 50 0 CEAARM CCC[C@@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000002830962 361254091 /nfs/dbraw/zinc/25/40/91/361254091.db2.gz LLJGFJIKMPIKJH-JTQLQIEISA-N -1 0 250.298 2.301 50 0 CEAARM COC(=O)C[C@H]1Sc2ccccc2[N-]C1=S ZINC000003127662 361264436 /nfs/dbraw/zinc/26/44/36/361264436.db2.gz YPPGNEQKYMOJEQ-SECBINFHSA-N -1 0 253.348 2.463 50 0 CEAARM CCOC(=O)CCCSc1n[n-]c(=S)s1 ZINC000003128876 361264442 /nfs/dbraw/zinc/26/44/42/361264442.db2.gz ABFDJGBWETYPLL-UHFFFAOYSA-N -1 0 264.397 2.262 50 0 CEAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000004208809 361305481 /nfs/dbraw/zinc/30/54/81/361305481.db2.gz HFPVZPNLMJDJFB-LBPRGKRZSA-N -1 0 277.320 2.433 50 0 CEAARM CC(=O)N/C(=C\c1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000004394954 361316185 /nfs/dbraw/zinc/31/61/85/361316185.db2.gz BVRLDRBFODLKAK-JYRVWZFOSA-N -1 0 263.293 2.035 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092237333 304102837 /nfs/dbraw/zinc/10/28/37/304102837.db2.gz WAOGGHNQBLVDFR-NEPJUHHUSA-N -1 0 291.372 2.342 50 0 CEAARM O=C([O-])c1cnn2c1nc(C(F)F)cc2C(F)F ZINC000004651958 361324201 /nfs/dbraw/zinc/32/42/01/361324201.db2.gz KVRYHKFDFZINKK-UHFFFAOYSA-N -1 0 263.150 2.303 50 0 CEAARM COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000005164770 361329925 /nfs/dbraw/zinc/32/99/25/361329925.db2.gz FTLMNYSSVFDIPH-LBPRGKRZSA-N -1 0 280.324 2.316 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)N[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000005422584 361331958 /nfs/dbraw/zinc/33/19/58/361331958.db2.gz YKCGDGCCAXYKJI-WHOHXGKFSA-N -1 0 270.373 2.364 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCC2 ZINC000019409600 304104101 /nfs/dbraw/zinc/10/41/01/304104101.db2.gz QJOHBYSQKUXKSL-AWEZNQCLSA-N -1 0 273.332 2.255 50 0 CEAARM O=C([O-])c1nnn(-c2ccc(Cl)cc2)c1[C@@H]1CCCO1 ZINC000011730642 361361509 /nfs/dbraw/zinc/36/15/09/361361509.db2.gz GXTWSDGSMMKAIT-JTQLQIEISA-N -1 0 293.710 2.470 50 0 CEAARM O=C([O-])[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000011891110 361367347 /nfs/dbraw/zinc/36/73/47/361367347.db2.gz UZCXVOTUVYLHJI-SSDOTTSWSA-N -1 0 274.103 2.431 50 0 CEAARM CC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000011890025 361367603 /nfs/dbraw/zinc/36/76/03/361367603.db2.gz WYZNKRIYZKWEKN-CYBMUJFWSA-N -1 0 299.392 2.198 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2OC(F)(F)F)N1 ZINC000012243777 361375538 /nfs/dbraw/zinc/37/55/38/361375538.db2.gz HRJWRKHYLMJACA-IONNQARKSA-N -1 0 293.266 2.373 50 0 CEAARM CCOC(=O)COc1cc(Cl)ccc1/C=C/C(=O)[O-] ZINC000012394674 361381783 /nfs/dbraw/zinc/38/17/83/361381783.db2.gz XMBNNXODKHTTQV-GQCTYLIASA-N -1 0 284.695 2.380 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000013153194 361420950 /nfs/dbraw/zinc/42/09/50/361420950.db2.gz TYZXWNYMZXLYSH-AWEZNQCLSA-N -1 0 275.348 2.379 50 0 CEAARM COc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000013168192 361422055 /nfs/dbraw/zinc/42/20/55/361422055.db2.gz VUBCIPWHLSERHB-UHFFFAOYSA-N -1 0 277.320 2.213 50 0 CEAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000013174714 361423346 /nfs/dbraw/zinc/42/33/46/361423346.db2.gz LERAWQCBUFZQNV-RYUDHWBXSA-N -1 0 297.738 2.151 50 0 CEAARM CN(Cc1ccccc1)C(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013412136 361427281 /nfs/dbraw/zinc/42/72/81/361427281.db2.gz PPQNPUXYYCZXDN-UHFFFAOYSA-N -1 0 299.326 2.422 50 0 CEAARM CCc1cccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000015970197 361481348 /nfs/dbraw/zinc/48/13/48/361481348.db2.gz XOTDUACDCSSIQD-GFCCVEGCSA-N -1 0 264.325 2.480 50 0 CEAARM CCCCn1c(=O)c(C(=O)[O-])c(O)c2ccccc21 ZINC000019229414 361523059 /nfs/dbraw/zinc/52/30/59/361523059.db2.gz HFTPUZBVXIXSIM-UHFFFAOYSA-N -1 0 261.277 2.205 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000019508368 361540468 /nfs/dbraw/zinc/54/04/68/361540468.db2.gz OYXLCGYTAOPEJQ-CYBMUJFWSA-N -1 0 285.299 2.235 50 0 CEAARM O=C([O-])[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000022222938 361587734 /nfs/dbraw/zinc/58/77/34/361587734.db2.gz SNUOLUXXDCFITF-QMMMGPOBSA-N -1 0 285.141 2.145 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cccc2ccc(C)nc21 ZINC000184889407 189398260 /nfs/dbraw/zinc/39/82/60/189398260.db2.gz NVDIJAGHMQHCTK-UHFFFAOYSA-N -1 0 286.331 2.480 50 0 CEAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])o1 ZINC000029010647 361680123 /nfs/dbraw/zinc/68/01/23/361680123.db2.gz DXVPQXJRTOFNRA-TUAOUCFPSA-N -1 0 277.320 2.432 50 0 CEAARM COc1ccccc1S(=O)(=O)[N-]c1onc(C)c1C ZINC000089556393 363979133 /nfs/dbraw/zinc/97/91/33/363979133.db2.gz FSIYZZKJJOQNOZ-UHFFFAOYSA-N -1 0 282.321 2.101 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000237226966 370703198 /nfs/dbraw/zinc/70/31/98/370703198.db2.gz WCFTZHYPFNZNKV-STQMWFEESA-N -1 0 261.321 2.032 50 0 CEAARM C[C@@H](CN(C)C(=O)C1(c2ccccc2F)CC1)C(=O)[O-] ZINC000237371860 370715983 /nfs/dbraw/zinc/71/59/83/370715983.db2.gz BMMXXMRNPRMFLI-JTQLQIEISA-N -1 0 279.311 2.036 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237453541 370722818 /nfs/dbraw/zinc/72/28/18/370722818.db2.gz KCIHFTQECVFOHX-BXKDBHETSA-N -1 0 265.284 2.005 50 0 CEAARM COc1cccc([C@H]2C[C@H]2C(=O)NCCCCC(=O)[O-])c1 ZINC000095425302 364371352 /nfs/dbraw/zinc/37/13/52/364371352.db2.gz RHMSPVHVOPCMSH-ZIAGYGMSSA-N -1 0 291.347 2.170 50 0 CEAARM O=C([O-])CCNC(=O)c1ccccc1Cc1ccccc1 ZINC000095377551 364351071 /nfs/dbraw/zinc/35/10/71/364351071.db2.gz JYMDDRDLFZPIHC-UHFFFAOYSA-N -1 0 283.327 2.482 50 0 CEAARM CCc1[nH]nc([N-]S(=O)(=O)c2cccc(F)c2)c1C ZINC000097103906 364451620 /nfs/dbraw/zinc/45/16/20/364451620.db2.gz ZNUGFDOYBAAKOK-UHFFFAOYSA-N -1 0 283.328 2.220 50 0 CEAARM CCC(=O)NCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097143520 364464681 /nfs/dbraw/zinc/46/46/81/364464681.db2.gz BPOSZORXNMPJTH-UHFFFAOYSA-N -1 0 291.134 2.164 50 0 CEAARM CCOc1ccc(N(C)C(=O)c2ncccc2[O-])cc1 ZINC000097165493 364471586 /nfs/dbraw/zinc/47/15/86/364471586.db2.gz NONDLABNCSWCBZ-UHFFFAOYSA-N -1 0 272.304 2.463 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)C[C@H]2C=CCC2)c1 ZINC000111403459 364734350 /nfs/dbraw/zinc/73/43/50/364734350.db2.gz HEYJZQMTNLTBKD-LBPRGKRZSA-N -1 0 273.332 2.400 50 0 CEAARM CCCCn1c2ccccc2nc1S(=O)(=O)[O-] ZINC000169306605 367367382 /nfs/dbraw/zinc/36/73/82/367367382.db2.gz YIAKIQVCJSSRCY-UHFFFAOYSA-N -1 0 254.311 2.083 50 0 CEAARM O=S(=O)(Cc1ccccc1C(F)(F)F)c1ncc[n-]1 ZINC000172881614 367834783 /nfs/dbraw/zinc/83/47/83/367834783.db2.gz RSVGLOXWYMTRSB-UHFFFAOYSA-N -1 0 290.266 2.402 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000262595414 304146513 /nfs/dbraw/zinc/14/65/13/304146513.db2.gz IRVLBHJWYCNCTL-FXPVBKGRSA-N -1 0 295.722 2.001 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccoc1 ZINC000262932841 304151906 /nfs/dbraw/zinc/15/19/06/304151906.db2.gz BNBLMTXOCQYIAS-HNNXBMFYSA-N -1 0 299.326 2.250 50 0 CEAARM CCN(C)c1cc(-c2ccccc2C(=O)[O-])ncn1 ZINC000215786386 370181160 /nfs/dbraw/zinc/18/11/60/370181160.db2.gz ZUMMZRWSZKUZRG-UHFFFAOYSA-N -1 0 257.293 2.298 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000195551231 370141113 /nfs/dbraw/zinc/14/11/13/370141113.db2.gz ABKSUWQYJBRCLU-NXEZZACHSA-N -1 0 281.377 2.387 50 0 CEAARM Cc1cccc(C(C)(C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000225458746 370296858 /nfs/dbraw/zinc/29/68/58/370296858.db2.gz BRDMSZRSPNGQDA-VXGBXAGGSA-N -1 0 261.321 2.067 50 0 CEAARM C/C(=C/C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1CC1 ZINC000225551037 370304057 /nfs/dbraw/zinc/30/40/57/370304057.db2.gz SGKIESOLRAPBEO-MQGYJPLLSA-N -1 0 253.342 2.206 50 0 CEAARM CC(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000236703797 370610943 /nfs/dbraw/zinc/61/09/43/370610943.db2.gz UXZGROJXFXESFP-CABCVRRESA-N -1 0 289.375 2.434 50 0 CEAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)n1C(C)C ZINC000236706781 370612174 /nfs/dbraw/zinc/61/21/74/370612174.db2.gz CTYCMMGAAMDWIU-GFCCVEGCSA-N -1 0 278.352 2.233 50 0 CEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1C ZINC000248129307 371163067 /nfs/dbraw/zinc/16/30/67/371163067.db2.gz MPVOEVPCSHMFKK-BZPMIXESSA-N -1 0 290.363 2.191 50 0 CEAARM Cc1ncsc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252364457 371436070 /nfs/dbraw/zinc/43/60/70/371436070.db2.gz HRIPRBAZESRKQI-AXFHLTTASA-N -1 0 294.376 2.309 50 0 CEAARM CO[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000255112434 371558126 /nfs/dbraw/zinc/55/81/26/371558126.db2.gz PIRIPWZFCDLIRG-DEBLGDTFSA-N -1 0 289.331 2.035 50 0 CEAARM C[C@H](CN(C)C(=O)[C@@H]1SCCc2ccccc21)C(=O)[O-] ZINC000237559277 189882022 /nfs/dbraw/zinc/88/20/22/189882022.db2.gz BAOPKTCVNIBCJT-ZWNOBZJWSA-N -1 0 293.388 2.196 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000269136302 372351907 /nfs/dbraw/zinc/35/19/07/372351907.db2.gz DEHLGKJZKWZHPN-LLVKDONJSA-N -1 0 275.329 2.448 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccccc1Cl ZINC000045922904 304174616 /nfs/dbraw/zinc/17/46/16/304174616.db2.gz LTOQLQOUOKOQAU-GWCFXTLKSA-N -1 0 279.723 2.477 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000000317836 304174868 /nfs/dbraw/zinc/17/48/68/304174868.db2.gz LCRHVZDPBWDWSX-ZETCQYMHSA-N -1 0 273.210 2.143 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2ccccn2c1 ZINC000136494933 304178554 /nfs/dbraw/zinc/17/85/54/304178554.db2.gz QPGNJLLKJLAXFE-CYBMUJFWSA-N -1 0 272.304 2.019 50 0 CEAARM O=C([O-])[C@H]1CCCCc2nnc(-c3ccccc3)n21 ZINC000169676598 304181616 /nfs/dbraw/zinc/18/16/16/304181616.db2.gz SCUMKCYXTIDETP-LLVKDONJSA-N -1 0 257.293 2.297 50 0 CEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000108655172 304189909 /nfs/dbraw/zinc/18/99/09/304189909.db2.gz VYVXNHMOAXGOQR-STQMWFEESA-N -1 0 273.332 2.467 50 0 CEAARM COc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299753872 379126805 /nfs/dbraw/zinc/12/68/05/379126805.db2.gz ZPIIWSARDGOORQ-XQQFMLRXSA-N -1 0 289.331 2.079 50 0 CEAARM CCc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cc1 ZINC000036884160 542275902 /nfs/dbraw/zinc/27/59/02/542275902.db2.gz QYUWUJWBNWIERJ-UHFFFAOYSA-N -1 0 261.321 2.186 50 0 CEAARM Cc1cccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1C ZINC000268895652 190448161 /nfs/dbraw/zinc/44/81/61/190448161.db2.gz KJDHCJUEENKTOJ-DRZSPHRISA-N -1 0 261.321 2.201 50 0 CEAARM CN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000493350929 380941015 /nfs/dbraw/zinc/94/10/15/380941015.db2.gz JNQPLVCASVIHKQ-PIZKADEWSA-N -1 0 289.331 2.035 50 0 CEAARM CSCCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000020250940 295591206 /nfs/dbraw/zinc/59/12/06/295591206.db2.gz MGBLAIVSGCTJKC-NSHDSACASA-N -1 0 267.350 2.072 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCc3ccccc32)o1 ZINC000132583535 304236007 /nfs/dbraw/zinc/23/60/07/304236007.db2.gz APRHRBMJQOHCFS-UHFFFAOYSA-N -1 0 257.245 2.181 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CC=CCC2)s1 ZINC000088749711 304236923 /nfs/dbraw/zinc/23/69/23/304236923.db2.gz RGXPDLKLEQQJIN-MRVPVSSYSA-N -1 0 251.307 2.285 50 0 CEAARM O=C([O-])c1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100583726 304241063 /nfs/dbraw/zinc/24/10/63/304241063.db2.gz AGTDLCOKMFFNLP-STQMWFEESA-N -1 0 287.315 2.060 50 0 CEAARM C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C1 ZINC000006250006 296374810 /nfs/dbraw/zinc/37/48/10/296374810.db2.gz LASNXWQAJQTKSB-UTUOFQBUSA-N -1 0 253.342 2.136 50 0 CEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1C ZINC000014000507 285159850 /nfs/dbraw/zinc/15/98/50/285159850.db2.gz ICKMFUVFDUKSRB-OCCSQVGLSA-N -1 0 261.321 2.379 50 0 CEAARM O=C([O-])c1cc(O)ccc1NC(=O)Cc1cccs1 ZINC000000781722 169677989 /nfs/dbraw/zinc/67/79/89/169677989.db2.gz BRNOMOBYNGYQJW-UHFFFAOYSA-N -1 0 277.301 2.333 50 0 CEAARM O=C([O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000003269680 304285060 /nfs/dbraw/zinc/28/50/60/304285060.db2.gz ZXWKUKKFDVBJOQ-UHFFFAOYSA-N -1 0 280.283 2.143 50 0 CEAARM Cc1ncc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000190919840 130162767 /nfs/dbraw/zinc/16/27/67/130162767.db2.gz CAUFJXOPYLLAJY-UHFFFAOYSA-N -1 0 299.330 2.064 50 0 CEAARM Cc1ccc(NC(=O)c2cnn3c2CCCC3)cc1C(=O)[O-] ZINC000191032773 130174135 /nfs/dbraw/zinc/17/41/35/130174135.db2.gz YODQDEMGDOWNJF-UHFFFAOYSA-N -1 0 299.330 2.478 50 0 CEAARM O=C([O-])COc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 ZINC000237972578 131070208 /nfs/dbraw/zinc/07/02/08/131070208.db2.gz VGJMHWBJVCEBAX-CYBMUJFWSA-N -1 0 289.331 2.123 50 0 CEAARM Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252446449 131134060 /nfs/dbraw/zinc/13/40/60/131134060.db2.gz UNSWXUOUVYQUMG-MCIONIFRSA-N -1 0 273.332 2.379 50 0 CEAARM CCN(CC(F)F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000262946593 131275605 /nfs/dbraw/zinc/27/56/05/131275605.db2.gz BYJSBOKBDCNAPC-UHFFFAOYSA-N -1 0 257.236 2.112 50 0 CEAARM O=C([O-])C[C@H]1CCCN1C(=O)c1cncc2ccccc21 ZINC000263035414 131279906 /nfs/dbraw/zinc/27/99/06/131279906.db2.gz VGXOCSBWTBLHGY-GFCCVEGCSA-N -1 0 284.315 2.314 50 0 CEAARM C[C@H](NC(=O)Cc1c[nH]c2cc(F)ccc12)[C@H](C)C(=O)[O-] ZINC000263441084 131293361 /nfs/dbraw/zinc/29/33/61/131293361.db2.gz MHRULDCQAGYXGM-IUCAKERBSA-N -1 0 292.310 2.075 50 0 CEAARM CCc1ccc(OCC(=O)[O-])c(Br)c1 ZINC000000064967 394447774 /nfs/dbraw/zinc/44/77/74/394447774.db2.gz AWXJDESUOGJGQO-UHFFFAOYSA-N -1 0 259.099 2.475 50 0 CEAARM Cc1cccc(C(=O)[O-])c1I ZINC000000404239 394448914 /nfs/dbraw/zinc/44/89/14/394448914.db2.gz PZUXUOZSSYKAMX-UHFFFAOYSA-N -1 0 262.046 2.298 50 0 CEAARM Cc1c[nH]c(CN(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000216450552 394452160 /nfs/dbraw/zinc/45/21/60/394452160.db2.gz UATPBCJELOHZHT-UHFFFAOYSA-N -1 0 259.309 2.048 50 0 CEAARM CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000018283323 394467976 /nfs/dbraw/zinc/46/79/76/394467976.db2.gz CMEDBZOQPCCFKM-OLZOCXBDSA-N -1 0 285.299 2.231 50 0 CEAARM CCOc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1C ZINC000236882483 394488395 /nfs/dbraw/zinc/48/83/95/394488395.db2.gz MXGNFYDMMSFZPE-UHFFFAOYSA-N -1 0 291.347 2.331 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)no1 ZINC000096427371 394689422 /nfs/dbraw/zinc/68/94/22/394689422.db2.gz RFNVTKUZOMUFQG-UHFFFAOYSA-N -1 0 270.285 2.231 50 0 CEAARM Cn1[n-]c(-c2ccoc2)c(-c2ccc3c(c2)OCO3)c1=N ZINC000103161213 400256977 /nfs/dbraw/zinc/25/69/77/400256977.db2.gz OIESDNALGAHTAH-UHFFFAOYSA-N -1 0 283.287 2.488 50 0 CEAARM Cc1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000101647304 400252838 /nfs/dbraw/zinc/25/28/38/400252838.db2.gz UYMRLYWWRLAAJT-AWEZNQCLSA-N -1 0 294.310 2.239 50 0 CEAARM Cc1cnccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262997232 154004561 /nfs/dbraw/zinc/00/45/61/154004561.db2.gz FLACNBDGDSSGRA-UHFFFAOYSA-N -1 0 277.324 2.155 50 0 CEAARM CC(C)(C)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)nc1 ZINC000263239079 154040049 /nfs/dbraw/zinc/04/00/49/154040049.db2.gz RLGDSENYIPPPCM-OAHLLOKOSA-N -1 0 294.326 2.018 50 0 CEAARM Cc1noc(C(C)(C)NCc2cccc(C(=O)[O-])c2)n1 ZINC000263402267 154075450 /nfs/dbraw/zinc/07/54/50/154075450.db2.gz IMUKPJLAMBVYQV-UHFFFAOYSA-N -1 0 275.308 2.101 50 0 CEAARM O=C([O-])CNC(=O)c1ccccc1NC1CCCCC1 ZINC000263571459 154128701 /nfs/dbraw/zinc/12/87/01/154128701.db2.gz JKLFMCKPOUTVJE-UHFFFAOYSA-N -1 0 276.336 2.246 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1cccs1 ZINC000002772526 169828368 /nfs/dbraw/zinc/82/83/68/169828368.db2.gz MNGZNMIWIYMJRM-WDEREUQCSA-N -1 0 267.350 2.255 50 0 CEAARM C[C@@H](CCc1ccccc1)NC(=O)CCCC(=O)[O-] ZINC000004784092 170016350 /nfs/dbraw/zinc/01/63/50/170016350.db2.gz CMDHISVQJGUTSQ-LBPRGKRZSA-N -1 0 263.337 2.379 50 0 CEAARM COc1ccccc1C(O)(C(=O)[O-])c1ccccc1OC ZINC000004785904 170016758 /nfs/dbraw/zinc/01/67/58/170016758.db2.gz FTTLFRKCSMVEOA-UHFFFAOYSA-N -1 0 288.299 2.024 50 0 CEAARM COc1ccc(-c2nc(N)sc2CC(=O)[O-])cc1F ZINC000004942666 170042993 /nfs/dbraw/zinc/04/29/93/170042993.db2.gz DSEQAJNJRPVJOE-UHFFFAOYSA-N -1 0 282.296 2.167 50 0 CEAARM CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)[O-])C(C)(C)S2)cc1 ZINC000005283585 170082317 /nfs/dbraw/zinc/08/23/17/170082317.db2.gz OZDHNYPDYFMVKR-VXGBXAGGSA-N -1 0 294.376 2.212 50 0 CEAARM O=S(=O)([O-])C1(O)CCC(C2CCCCC2)CC1 ZINC000006562374 170213636 /nfs/dbraw/zinc/21/36/36/170213636.db2.gz MEGJNIYMHCDCRM-UHFFFAOYSA-N -1 0 262.371 2.333 50 0 CEAARM COC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1F ZINC000006857807 170250033 /nfs/dbraw/zinc/25/00/33/170250033.db2.gz YMWLEVHHOHWDOW-SECBINFHSA-N -1 0 293.216 2.108 50 0 CEAARM CCSc1nc([O-])cc(=O)n1-c1ccccc1OC ZINC000008573033 170341360 /nfs/dbraw/zinc/34/13/60/170341360.db2.gz GIJPTYURTCWKRI-UHFFFAOYSA-N -1 0 278.333 2.059 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC000008700679 170346883 /nfs/dbraw/zinc/34/68/83/170346883.db2.gz CFAJOXPICRIMCA-MRVPVSSYSA-N -1 0 257.311 2.399 50 0 CEAARM O=C([O-])c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000013079825 170530804 /nfs/dbraw/zinc/53/08/04/170530804.db2.gz DJHXTFADVPABMN-UHFFFAOYSA-N -1 0 299.326 2.123 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000013692503 170579183 /nfs/dbraw/zinc/57/91/83/170579183.db2.gz FLFLTIKDEDDMMB-TXEJJXNPSA-N -1 0 270.373 2.319 50 0 CEAARM Cc1cc(C)c2oc(=O)cc(C[P@@](=O)([O-])O)c2c1 ZINC000020761500 171272291 /nfs/dbraw/zinc/27/22/91/171272291.db2.gz MZPRUZNCNSZUHJ-UHFFFAOYSA-N -1 0 268.205 2.088 50 0 CEAARM Cc1ccc(NC(=O)c2nccnc2C(=O)[O-])c(Cl)c1 ZINC000020857535 171276267 /nfs/dbraw/zinc/27/62/67/171276267.db2.gz RSQIOAYFDUUGQM-UHFFFAOYSA-N -1 0 291.694 2.389 50 0 CEAARM COCCCNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000021715871 171319642 /nfs/dbraw/zinc/31/96/42/171319642.db2.gz YVTUKTVFCGXXAP-UHFFFAOYSA-N -1 0 281.337 2.146 50 0 CEAARM CC(C)C[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000036370023 172626351 /nfs/dbraw/zinc/62/63/51/172626351.db2.gz UFQHMZVWLNAKFG-ZDUSSCGKSA-N -1 0 288.347 2.257 50 0 CEAARM O=C([O-])Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000037325618 173126572 /nfs/dbraw/zinc/12/65/72/173126572.db2.gz ZYUQPTVVOCTKKL-UHFFFAOYSA-N -1 0 263.274 2.166 50 0 CEAARM C[C@@H](OCc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037437653 173208171 /nfs/dbraw/zinc/20/81/71/173208171.db2.gz CEOTVWUIPSUTCE-TZMCWYRMSA-N -1 0 291.347 2.057 50 0 CEAARM CN(Cc1ccccc1Cl)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037517904 173248757 /nfs/dbraw/zinc/24/87/57/173248757.db2.gz BLKYGKNAUQGRSQ-UWVGGRQHSA-N -1 0 267.712 2.019 50 0 CEAARM COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000039956967 174179195 /nfs/dbraw/zinc/17/91/95/174179195.db2.gz ZPMHSWFMWHVVHG-NSHDSACASA-N -1 0 281.308 2.346 50 0 CEAARM O=C([O-])[C@@H](NC(=O)N1CCCCCC1)c1ccccc1 ZINC000040531279 174317155 /nfs/dbraw/zinc/31/71/55/174317155.db2.gz ZFVRJNRZCJOOEM-ZDUSSCGKSA-N -1 0 276.336 2.398 50 0 CEAARM Cc1cccc(OCCCC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000062117919 175663688 /nfs/dbraw/zinc/66/36/88/175663688.db2.gz VKSLKFUUDKLUHO-ZDUSSCGKSA-N -1 0 291.347 2.087 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000062119048 175664026 /nfs/dbraw/zinc/66/40/26/175664026.db2.gz PMWMEVYJNFNDFI-LLVKDONJSA-N -1 0 281.739 2.206 50 0 CEAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1Cl ZINC000063021212 175681497 /nfs/dbraw/zinc/68/14/97/175681497.db2.gz MOYNQMAXVGZALH-UHFFFAOYSA-N -1 0 267.712 2.338 50 0 CEAARM CN(C[C@H]1CCc2ccccc21)C(=O)C(C)(C)C(=O)[O-] ZINC000659233969 415467574 /nfs/dbraw/zinc/46/75/74/415467574.db2.gz PDUPTFMBXGMKES-GFCCVEGCSA-N -1 0 275.348 2.286 50 0 CEAARM Nc1c(N=O)c(=O)[n-]c(=S)n1Cc1ccccc1 ZINC000078396955 177337039 /nfs/dbraw/zinc/33/70/39/177337039.db2.gz VQNMQZVNCRZTSQ-UHFFFAOYSA-N -1 0 262.294 2.347 50 0 CEAARM COCc1c(C(=O)[O-])nnn1-c1ccc(C(C)C)cc1 ZINC000020272172 260117296 /nfs/dbraw/zinc/11/72/96/260117296.db2.gz XRNKEUFYLIDJBX-UHFFFAOYSA-N -1 0 275.308 2.235 50 0 CEAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccc(C)cc1 ZINC000000098954 278075115 /nfs/dbraw/zinc/07/51/15/278075115.db2.gz JIFJBRTVYQXRPG-NEPJUHHUSA-N -1 0 265.334 2.042 50 0 CEAARM CC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000013466057 278248458 /nfs/dbraw/zinc/24/84/58/278248458.db2.gz BZCOJKQCVCRIOF-MXYBEHONSA-N -1 0 299.326 2.351 50 0 CEAARM CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000032628223 278384911 /nfs/dbraw/zinc/38/49/11/278384911.db2.gz ZVMOSXHYOPBSRN-VIFPVBQESA-N -1 0 255.314 2.108 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)[O-])C1 ZINC000095743291 278397550 /nfs/dbraw/zinc/39/75/50/278397550.db2.gz JKPWYFGEQHQKIK-RNCFNFMXSA-N -1 0 255.314 2.108 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1cscn1 ZINC000061449228 280072311 /nfs/dbraw/zinc/07/23/11/280072311.db2.gz NJZKXTLGHVEDLK-CYBMUJFWSA-N -1 0 274.345 2.155 50 0 CEAARM CC(C)[C@@H]1[C@H]2CCCCC2=NN1C(=O)/C=C/C(=O)[O-] ZINC000004837300 280100900 /nfs/dbraw/zinc/10/09/00/280100900.db2.gz NSLBYFYVGGSZDA-BUNBQRAMSA-N -1 0 264.325 2.040 50 0 CEAARM COc1ccccc1[C@H](C)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237246662 295397312 /nfs/dbraw/zinc/39/73/12/295397312.db2.gz VEMCPIOYTLSSMH-YPMHNXCESA-N -1 0 291.347 2.264 50 0 CEAARM C[C@@]1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCOC1 ZINC000157060248 297916634 /nfs/dbraw/zinc/91/66/34/297916634.db2.gz LBKCRZPATBDFFH-CYBMUJFWSA-N -1 0 278.333 2.025 50 0 CEAARM C[S@](=O)C1=C([O-])c2ccc3ccccc3c2OC1 ZINC000071771939 300887319 /nfs/dbraw/zinc/88/73/19/300887319.db2.gz UBCMEXBMQLJFQR-KPZWWZAWSA-N -1 0 260.314 2.162 50 0 CEAARM Cc1c(C(=O)[O-])sc2ncn(C(C)C)c(=O)c12 ZINC000019992419 300950718 /nfs/dbraw/zinc/95/07/18/300950718.db2.gz XSBSGLBJSMZWQO-UHFFFAOYSA-N -1 0 252.295 2.046 50 0 CEAARM Cc1cc2c(ncnc2N2CCC(C(=O)[O-])CC2)s1 ZINC000000873806 301453500 /nfs/dbraw/zinc/45/35/00/301453500.db2.gz NUKUUWZVUQPAIE-UHFFFAOYSA-N -1 0 277.349 2.301 50 0 CEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000219776517 301523996 /nfs/dbraw/zinc/52/39/96/301523996.db2.gz JJGDUCOTVAHZIE-XBFCOCLRSA-N -1 0 288.347 2.248 50 0 CEAARM NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000299804147 303337160 /nfs/dbraw/zinc/33/71/60/303337160.db2.gz CRZVSNYNDHKQIR-YHUYYLMFSA-N -1 0 295.338 2.370 50 0 CEAARM O=c1c2c(nc3[n-]c(-c4cccs4)nn31)CCCC2 ZINC000013365219 304844497 /nfs/dbraw/zinc/84/44/97/304844497.db2.gz MOMLNQNQUUQLFW-UHFFFAOYSA-N -1 0 272.333 2.437 50 0 CEAARM Cn1nc(C(=O)[O-])nc1-c1ccccc1OC(F)(F)F ZINC000534630548 328331202 /nfs/dbraw/zinc/33/12/02/328331202.db2.gz CRAWJEJHZORESN-UHFFFAOYSA-N -1 0 287.197 2.079 50 0 CEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CC1CCOCC1 ZINC000237271523 327301073 /nfs/dbraw/zinc/30/10/73/327301073.db2.gz AMRYVUCJLAGXKJ-UHFFFAOYSA-N -1 0 291.347 2.160 50 0 CEAARM CN(Cc1cc2ccccc2o1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268941823 330067079 /nfs/dbraw/zinc/06/70/79/330067079.db2.gz KPGWBRHMWZEDED-VXGBXAGGSA-N -1 0 273.288 2.112 50 0 CEAARM Cc1ccc2[nH]c(C(=O)NCCCC(=O)[O-])cc2c1C ZINC000096479624 534351071 /nfs/dbraw/zinc/35/10/71/534351071.db2.gz HCRBAXOALKUGIK-UHFFFAOYSA-N -1 0 274.320 2.379 50 0 CEAARM C[C@@H](C(=O)Nc1ccccc1CC(=O)[O-])C(F)(F)F ZINC000262912364 524277222 /nfs/dbraw/zinc/27/72/22/524277222.db2.gz SOAWEFAMSWECGT-ZETCQYMHSA-N -1 0 275.226 2.451 50 0 CEAARM CC(C)[C@@H](NC(=O)[C@@H](C)c1cccs1)C(=O)[O-] ZINC000096479611 528566089 /nfs/dbraw/zinc/56/60/89/528566089.db2.gz NEPCSEKECHUHMP-WCBMZHEXSA-N -1 0 255.339 2.077 50 0 CEAARM O=C([O-])CC(=O)NN1c2ccccc2CCc2ccccc21 ZINC000022205396 623226507 /nfs/dbraw/zinc/22/65/07/623226507.db2.gz UPBNEFGNAHRBGQ-UHFFFAOYSA-N -1 0 296.326 2.429 50 0 CEAARM Cc1ccc(CC(=O)N([C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000262605354 631173663 /nfs/dbraw/zinc/17/36/63/631173663.db2.gz KMFHVUGRJZALAU-VIFPVBQESA-N -1 0 267.350 2.063 50 0 CEAARM Cc1cc(N2CCC[C@H](O)C2)nc(-c2ccccc2[O-])n1 ZINC000032598219 807458627 /nfs/dbraw/zinc/45/86/27/807458627.db2.gz COZVBZCFUPRHDG-LBPRGKRZSA-N -1 0 285.347 2.119 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2Cl)cc1C ZINC000585119213 813684264 /nfs/dbraw/zinc/68/42/64/813684264.db2.gz XIPGNHYPWQJLCE-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000097018323 230386451 /nfs/dbraw/zinc/38/64/51/230386451.db2.gz IFTWLGDZCDCQAZ-MFKMUULPSA-N -1 0 273.288 2.471 50 0 CEAARM O=C([O-])C1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000095509311 185000430 /nfs/dbraw/zinc/00/04/30/185000430.db2.gz UDJLYLSCOLLBSK-CQSZACIVSA-N -1 0 287.359 2.430 50 0 CEAARM Cc1nnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)o1 ZINC000095944007 185036988 /nfs/dbraw/zinc/03/69/88/185036988.db2.gz GFKFIEQGZPWJEU-UHFFFAOYSA-N -1 0 281.337 2.302 50 0 CEAARM CC(C)=CC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095956999 185042264 /nfs/dbraw/zinc/04/22/64/185042264.db2.gz ORDBVIGWEYHQJN-LBPRGKRZSA-N -1 0 265.284 2.424 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC000095961803 185044903 /nfs/dbraw/zinc/04/49/03/185044903.db2.gz HSFTXXXOBRFEKQ-STQMWFEESA-N -1 0 284.315 2.218 50 0 CEAARM O=C([O-])C1(NC(=O)[C@H]2CCc3ccccc32)CCCC1 ZINC000095969643 185047678 /nfs/dbraw/zinc/04/76/78/185047678.db2.gz OJJKWUMQMNUCPR-ZDUSSCGKSA-N -1 0 273.332 2.230 50 0 CEAARM C/C(=C\c1ccc(F)cc1)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000095989489 185057330 /nfs/dbraw/zinc/05/73/30/185057330.db2.gz AIOUXQYEDIHECH-RJCSOLBVSA-N -1 0 279.311 2.408 50 0 CEAARM O=C([O-])c1ccc2nnc(COc3ccccc3)n2c1 ZINC000034924975 361796756 /nfs/dbraw/zinc/79/67/56/361796756.db2.gz UNYAJGRKERXSRL-UHFFFAOYSA-N -1 0 269.260 2.007 50 0 CEAARM COc1cc2ccc(S(=O)(=O)[O-])cc2cc1OC ZINC000034496147 361791721 /nfs/dbraw/zinc/79/17/21/361791721.db2.gz IMSZMAMIAUKQMV-UHFFFAOYSA-N -1 0 268.290 2.104 50 0 CEAARM COc1ccc(C(=O)CCCC(=O)[O-])c(OC)c1OC ZINC000036181227 361834508 /nfs/dbraw/zinc/83/45/08/361834508.db2.gz DAZAPSUEQMAVOL-UHFFFAOYSA-N -1 0 282.292 2.150 50 0 CEAARM CCc1nc(C(=O)[O-])nn1-c1ccccc1Cl ZINC000036879225 361867073 /nfs/dbraw/zinc/86/70/73/361867073.db2.gz ADSUQICMBSGRKP-UHFFFAOYSA-N -1 0 251.673 2.181 50 0 CEAARM Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000036966283 361876338 /nfs/dbraw/zinc/87/63/38/361876338.db2.gz UKOGCRHNNYWVPE-XUIVZRPNSA-N -1 0 279.361 2.393 50 0 CEAARM CCC[C@](C)(NC(=O)c1cnn(C(C)(C)C)c1)C(=O)[O-] ZINC000096999808 185149698 /nfs/dbraw/zinc/14/96/98/185149698.db2.gz SMDDJUUZFNRMBO-AWEZNQCLSA-N -1 0 281.356 2.011 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000097009384 185152103 /nfs/dbraw/zinc/15/21/03/185152103.db2.gz VWGBEUNPONAIMS-RNFRBKRXSA-N -1 0 273.741 2.385 50 0 CEAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(C)cc(F)c1 ZINC000097018722 185152578 /nfs/dbraw/zinc/15/25/78/185152578.db2.gz WVOPNCQZIFUVJX-SNVBAGLBSA-N -1 0 267.300 2.317 50 0 CEAARM O=C([O-])[C@H](NC(=O)c1ccsc1)c1ccccc1F ZINC000097036441 185166325 /nfs/dbraw/zinc/16/63/25/185166325.db2.gz YERRGAXYLFSJSM-LLVKDONJSA-N -1 0 279.292 2.443 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000088832653 539030303 /nfs/dbraw/zinc/03/03/03/539030303.db2.gz BGAKGFXPQDDGKP-VIFPVBQESA-N -1 0 281.274 2.432 50 0 CEAARM Cc1c2cccc(F)c2oc1C(=O)NC(C)(C)C(=O)[O-] ZINC000040910318 362009702 /nfs/dbraw/zinc/00/97/02/362009702.db2.gz ZEMGJDRUNUOFEN-UHFFFAOYSA-N -1 0 279.267 2.473 50 0 CEAARM COc1ccc(OC)c(C(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000043214309 362139977 /nfs/dbraw/zinc/13/99/77/362139977.db2.gz CFSLRWYRLAGZJV-VIFPVBQESA-N -1 0 266.293 2.387 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H]1c1ncc(C(=O)[O-])cn1 ZINC000685944097 539306807 /nfs/dbraw/zinc/30/68/07/539306807.db2.gz KPWQNJAZIJNUAI-SNVBAGLBSA-N -1 0 293.323 2.247 50 0 CEAARM Cc1cccc(-c2nc([N-]c3ncccn3)n[nH]2)c1 ZINC000075253272 343844077 /nfs/dbraw/zinc/84/40/77/343844077.db2.gz AXXDAAGUHMZXFV-UHFFFAOYSA-N -1 0 252.281 2.314 50 0 CEAARM CC[NH+](CC)CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000096026915 344239034 /nfs/dbraw/zinc/23/90/34/344239034.db2.gz LMVMMLHMHVIISB-UONOGXRCSA-N -1 0 293.363 2.288 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)[O-])n[nH]2)CC1 ZINC000096516100 344240315 /nfs/dbraw/zinc/24/03/15/344240315.db2.gz NPVQYECNHQDJAS-UHFFFAOYSA-N -1 0 295.339 2.222 50 0 CEAARM CN(C)c1ccccc1N(C)C(=O)c1ncccc1[O-] ZINC000132546054 344363950 /nfs/dbraw/zinc/36/39/50/344363950.db2.gz CSKLOYDEGMXUHS-UHFFFAOYSA-N -1 0 271.320 2.130 50 0 CEAARM CC(C)[C@@H](NC(=O)C(=O)[O-])c1ccc(Cl)cc1F ZINC000170596129 344485933 /nfs/dbraw/zinc/48/59/33/344485933.db2.gz UXADWVJVYLNGKH-SNVBAGLBSA-N -1 0 273.691 2.377 50 0 CEAARM CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000212585643 344532196 /nfs/dbraw/zinc/53/21/96/344532196.db2.gz ORCQJVHHEVXFRG-CYBMUJFWSA-N -1 0 276.336 2.198 50 0 CEAARM C[C@]1(C(=O)[O-])CC(c2cccc(Cl)c2F)=NO1 ZINC000226081807 344548638 /nfs/dbraw/zinc/54/86/38/344548638.db2.gz VOFBKPLGCKRATB-LLVKDONJSA-N -1 0 257.648 2.447 50 0 CEAARM CC(C)(C)c1c(C(=O)[O-])nnn1Cc1ccccc1F ZINC000050213804 362410839 /nfs/dbraw/zinc/41/08/39/362410839.db2.gz LKYOVVGRPSFKMQ-UHFFFAOYSA-N -1 0 277.299 2.461 50 0 CEAARM O=C([O-])Cc1c(Br)nccc1C(F)(F)F ZINC000238666815 344607775 /nfs/dbraw/zinc/60/77/75/344607775.db2.gz PUBODNMUMLRPNU-UHFFFAOYSA-N -1 0 284.031 2.490 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccco1 ZINC000314085148 344744512 /nfs/dbraw/zinc/74/45/12/344744512.db2.gz GBLVTAJATLYBSS-LZNQSLFOSA-N -1 0 297.310 2.331 50 0 CEAARM Cc1nc(NCC2(Cn3cccn3)CC2)c(Cl)c(=O)[n-]1 ZINC000584901625 345003844 /nfs/dbraw/zinc/00/38/44/345003844.db2.gz XKYYZJOGOYEZGW-UHFFFAOYSA-N -1 0 293.758 2.233 50 0 CEAARM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CC=CCC1 ZINC000055254887 362547662 /nfs/dbraw/zinc/54/76/62/362547662.db2.gz BOFDDFLMILAIFB-CQSZACIVSA-N -1 0 261.321 2.391 50 0 CEAARM CCc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000097047047 185513225 /nfs/dbraw/zinc/51/32/25/185513225.db2.gz UPRSUZLVYYMYFT-UHFFFAOYSA-N -1 0 287.728 2.086 50 0 CEAARM O=C(NC1CCCC1)c1csc([N-]c2ncccn2)n1 ZINC000056907615 362565401 /nfs/dbraw/zinc/56/54/01/362565401.db2.gz VEZIKPJTXGKBGB-UHFFFAOYSA-N -1 0 289.364 2.349 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2csc3c2CCCC3)C1 ZINC000062118207 362709173 /nfs/dbraw/zinc/70/91/73/362709173.db2.gz JIOYJXCSGHVSON-VIFPVBQESA-N -1 0 279.361 2.174 50 0 CEAARM CCc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000062913816 362734225 /nfs/dbraw/zinc/73/42/25/362734225.db2.gz MKBMDSAAUPEJMX-ZDUSSCGKSA-N -1 0 267.350 2.247 50 0 CEAARM C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000128519957 187375104 /nfs/dbraw/zinc/37/51/04/187375104.db2.gz LOLPBVBRXUDCLE-OLZOCXBDSA-N -1 0 297.395 2.438 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000128558697 187377002 /nfs/dbraw/zinc/37/70/02/187377002.db2.gz XIYUHSOLWUBGID-CQSZACIVSA-N -1 0 287.359 2.333 50 0 CEAARM CC[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000067794710 362924312 /nfs/dbraw/zinc/92/43/12/362924312.db2.gz FVBDPMBKPSHZGD-NSHDSACASA-N -1 0 251.282 2.166 50 0 CEAARM O=C([O-])CCCCNC(=O)[C@H]1CSc2ccccc21 ZINC000092237824 180349653 /nfs/dbraw/zinc/34/96/53/180349653.db2.gz PXVKOUYWXPOTNT-NSHDSACASA-N -1 0 279.361 2.247 50 0 CEAARM N[C@@](C(=O)[O-])(c1cccc(Cl)c1)C(F)(F)F ZINC000069548766 362979469 /nfs/dbraw/zinc/97/94/69/362979469.db2.gz NFMBOQZZSHPESJ-MRVPVSSYSA-N -1 0 253.607 2.141 50 0 CEAARM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C1(C(=O)[O-])CC1 ZINC000118984830 186792897 /nfs/dbraw/zinc/79/28/97/186792897.db2.gz KIQXXUPPLBKFHI-WCQYABFASA-N -1 0 273.332 2.256 50 0 CEAARM CN(CCC1CCOCC1)C(=O)c1ccc(F)cc1[O-] ZINC000124111787 187122793 /nfs/dbraw/zinc/12/27/93/187122793.db2.gz WGABWDPLXVBVQN-UHFFFAOYSA-N -1 0 281.327 2.420 50 0 CEAARM Cc1ccc(CC(=O)NCc2nc(C(=O)[O-])cs2)s1 ZINC000124260856 187129099 /nfs/dbraw/zinc/12/90/99/187129099.db2.gz BBYAYWVZGJREAS-UHFFFAOYSA-N -1 0 296.373 2.070 50 0 CEAARM O=c1c2c(nc3c(Br)c[n-]n31)CCCC2 ZINC000071475163 363110857 /nfs/dbraw/zinc/11/08/57/363110857.db2.gz PLMOFOKOCNWBER-UHFFFAOYSA-N -1 0 268.114 2.076 50 0 CEAARM O=C([O-])c1ccccc1C=NNC(=O)C1CCCCC1 ZINC000252476919 539861476 /nfs/dbraw/zinc/86/14/76/539861476.db2.gz DVCVXMITOWOEMQ-UHFFFAOYSA-N -1 0 274.320 2.415 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2)C1 ZINC000585090251 539891045 /nfs/dbraw/zinc/89/10/45/539891045.db2.gz HGWIAHLNDSLSSZ-NWDGAFQWSA-N -1 0 299.330 2.312 50 0 CEAARM O=C([O-])C1(C(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000154821187 304028218 /nfs/dbraw/zinc/02/82/18/304028218.db2.gz DQMGTZRELLPQRH-JTQLQIEISA-N -1 0 295.722 2.145 50 0 CEAARM Cc1c(C(=O)NC(C)(C)CCC(=O)[O-])cnn1C(C)(C)C ZINC000155879585 188232279 /nfs/dbraw/zinc/23/22/79/188232279.db2.gz NOPBGMGTTPMHAE-UHFFFAOYSA-N -1 0 295.383 2.320 50 0 CEAARM C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)CC(=O)[O-] ZINC000157803391 188339512 /nfs/dbraw/zinc/33/95/12/188339512.db2.gz IZQLXTUSXBXONH-JTQLQIEISA-N -1 0 288.303 2.182 50 0 CEAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)C2CC2)CC1 ZINC000013186588 304035046 /nfs/dbraw/zinc/03/50/46/304035046.db2.gz ZKMVUCAAODZKFO-UHFFFAOYSA-N -1 0 273.332 2.041 50 0 CEAARM CC(C)c1cc(=O)[nH]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000073647918 363238014 /nfs/dbraw/zinc/23/80/14/363238014.db2.gz IYWYMGJMKWGTHO-UHFFFAOYSA-N -1 0 289.291 2.041 50 0 CEAARM C[C@H](NC(=O)c1cc(-c2ccccc2)on1)[C@H](C)C(=O)[O-] ZINC000132660252 366160624 /nfs/dbraw/zinc/16/06/24/366160624.db2.gz NDVUTHGIZQQGMM-UWVGGRQHSA-N -1 0 288.303 2.181 50 0 CEAARM Cc1nc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000165366608 188631049 /nfs/dbraw/zinc/63/10/49/188631049.db2.gz ZQIHNHJEKMNGJG-NSHDSACASA-N -1 0 296.392 2.097 50 0 CEAARM COCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000075278921 363454569 /nfs/dbraw/zinc/45/45/69/363454569.db2.gz XGHBJYUEXXFSKR-UHFFFAOYSA-N -1 0 250.081 2.284 50 0 CEAARM O=C([O-])CCS[C@@H]1CCC(=O)N1Cc1ccc(F)cc1 ZINC000334163633 304057640 /nfs/dbraw/zinc/05/76/40/304057640.db2.gz ZJLGMSRTHDXLLA-CYBMUJFWSA-N -1 0 297.351 2.482 50 0 CEAARM C[C@H](C(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076327995 363537135 /nfs/dbraw/zinc/53/71/35/363537135.db2.gz NLJQBRKXFLNUNN-LURJTMIESA-N -1 0 261.199 2.365 50 0 CEAARM O=C(c1c([O-])cc(Cl)cc1Cl)N1CCOCC1 ZINC000078995413 363562734 /nfs/dbraw/zinc/56/27/34/363562734.db2.gz FNZWSKYZUGGEMW-UHFFFAOYSA-N -1 0 276.119 2.171 50 0 CEAARM O=C([O-])CS[C@H]1CCc2ccccc2NC1=O ZINC000013693077 304072984 /nfs/dbraw/zinc/07/29/84/304072984.db2.gz PGWNLMHHDHINIR-JTQLQIEISA-N -1 0 251.307 2.407 50 0 CEAARM Cc1c[nH]cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262283771 540401852 /nfs/dbraw/zinc/40/18/52/540401852.db2.gz ZABAUYMUEBJNMF-LLVKDONJSA-N -1 0 264.325 2.040 50 0 CEAARM C[C@]1(C(=O)[O-])CCCN1C(=O)COc1ccc(Cl)cc1 ZINC000079480235 363606940 /nfs/dbraw/zinc/60/69/40/363606940.db2.gz QUVWWVPPWDUEQY-CQSZACIVSA-N -1 0 297.738 2.185 50 0 CEAARM CSc1cccc(CN(C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000670466643 540424593 /nfs/dbraw/zinc/42/45/93/540424593.db2.gz KYIDUDJTTKZEAF-SECBINFHSA-N -1 0 282.365 2.023 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Cl)cn2)C1 ZINC000079728991 363625165 /nfs/dbraw/zinc/62/51/65/363625165.db2.gz DAJGWRZLTIPKLE-SNVBAGLBSA-N -1 0 296.754 2.452 50 0 CEAARM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC000223380855 540535054 /nfs/dbraw/zinc/53/50/54/540535054.db2.gz VYIUIMHIQSRKOK-UONOGXRCSA-N -1 0 275.348 2.113 50 0 CEAARM Cc1sc(CCNC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000685944087 540635506 /nfs/dbraw/zinc/63/55/06/540635506.db2.gz IADZUDGPZFPDQQ-UHFFFAOYSA-N -1 0 286.353 2.217 50 0 CEAARM Cc1cc(NC(=O)C[C@H]2CCOC2)ccc1C(=O)[O-] ZINC000341752351 216089723 /nfs/dbraw/zinc/08/97/23/216089723.db2.gz YTHHYXIWDKJVSS-SNVBAGLBSA-N -1 0 263.293 2.058 50 0 CEAARM O=C([O-])Cn1c2ccccc2n2nc(-c3ccccc3)nc12 ZINC000004913641 304090978 /nfs/dbraw/zinc/09/09/78/304090978.db2.gz MWQPVGIEFXJVHA-UHFFFAOYSA-N -1 0 292.298 2.436 50 0 CEAARM CS[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000178257816 189100725 /nfs/dbraw/zinc/10/07/25/189100725.db2.gz UXLYGIHHRBVPHY-NWDGAFQWSA-N -1 0 279.361 2.024 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000000124018 361131434 /nfs/dbraw/zinc/13/14/34/361131434.db2.gz NPKISZUVEBESJI-CQSZACIVSA-N -1 0 269.300 2.112 50 0 in-vitro CEAARM O=C([O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000000209181 361146514 /nfs/dbraw/zinc/14/65/14/361146514.db2.gz PCISPSYBKMGNFW-UHFFFAOYSA-N -1 0 276.313 2.359 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056768 361122401 /nfs/dbraw/zinc/12/24/01/361122401.db2.gz WPTUQMUCTTVOFW-BMIGLBTASA-N -1 0 288.347 2.326 50 0 in-vitro CEAARM Cc1nn(-c2cccc(C(=O)[O-])c2)c(=O)c2ccccc12 ZINC000000051837 361122555 /nfs/dbraw/zinc/12/25/55/361122555.db2.gz WEOHRRADPCYDSW-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 ZINC000000077524 361125323 /nfs/dbraw/zinc/12/53/23/361125323.db2.gz ATEOULBATLXMHD-CQSZACIVSA-N -1 0 287.290 2.251 50 0 CEAARM O=C([O-])c1cn(Cc2cccnc2)c(=O)c2ccccc12 ZINC000001402443 361204570 /nfs/dbraw/zinc/20/45/70/361204570.db2.gz 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/nfs/dbraw/zinc/23/81/64/361238164.db2.gz LKRXXARJBFBMCE-BDAKNGLRSA-N -1 0 275.345 2.168 50 0 CEAARM O=C([O-])CCCCCNC(=O)/C=C/c1ccco1 ZINC000002565435 361240793 /nfs/dbraw/zinc/24/07/93/361240793.db2.gz XXFXSGLCBNBRPM-BQYQJAHWSA-N -1 0 251.282 2.054 50 0 CEAARM COc1ccc(-c2nc(CC(=O)[O-])cs2)cc1OC ZINC000002617541 361242720 /nfs/dbraw/zinc/24/27/20/361242720.db2.gz GIKGQBQBMPIEKG-UHFFFAOYSA-N -1 0 279.317 2.454 50 0 CEAARM CCOc1n[n-]c(=O)c(Br)c1Br ZINC000003844759 361291988 /nfs/dbraw/zinc/29/19/88/361291988.db2.gz PUQWWQLMHWLSKL-UHFFFAOYSA-N -1 0 297.934 2.106 50 0 CEAARM CCOC(=O)N[C@@H](CC(=O)[O-])c1ccc(OCC)cc1 ZINC000004101959 361300413 /nfs/dbraw/zinc/30/04/13/361300413.db2.gz OCTNDBSGMSWZKY-LBPRGKRZSA-N -1 0 281.308 2.347 50 0 CEAARM O=C([O-])c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000004641464 361324510 /nfs/dbraw/zinc/32/45/10/361324510.db2.gz LQFKQJUZZCYZTB-UHFFFAOYSA-N -1 0 298.291 2.232 50 0 CEAARM COc1ccc(Br)cc1CCC(=O)[O-] ZINC000011803917 361365124 /nfs/dbraw/zinc/36/51/24/361365124.db2.gz RCLIOLQUIYTUPY-UHFFFAOYSA-N -1 0 259.099 2.475 50 0 CEAARM O=C([O-])CCc1coc2ccc(Cl)cc2c1=O ZINC000011849191 361366016 /nfs/dbraw/zinc/36/60/16/361366016.db2.gz YXTVVBLJYNPMJZ-UHFFFAOYSA-N -1 0 252.653 2.464 50 0 CEAARM Cc1ccc(-c2nc(C)c(C(=O)C(=O)[O-])s2)n1C ZINC000012394743 361381379 /nfs/dbraw/zinc/38/13/79/361381379.db2.gz FNUXIWUABSFWJU-UHFFFAOYSA-N -1 0 264.306 2.033 50 0 CEAARM CCOC(=O)c1c(C)nn(-c2ccccc2C(=O)[O-])c1C ZINC000012860212 361403052 /nfs/dbraw/zinc/40/30/52/361403052.db2.gz LXHNZHIGHWOEFP-UHFFFAOYSA-N -1 0 288.303 2.364 50 0 CEAARM Cc1ccc(O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167261 361422336 /nfs/dbraw/zinc/42/23/36/361422336.db2.gz FOLMGSWLRHKXMO-GFCCVEGCSA-N -1 0 291.347 2.086 50 0 CEAARM C[C@H](S[C@@H]1CCc2ccccc2NC1=O)C(=O)[O-] ZINC000013690833 361436829 /nfs/dbraw/zinc/43/68/29/361436829.db2.gz DQLWULMXLZWGCH-GZMMTYOYSA-N -1 0 265.334 2.146 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000013758279 361441247 /nfs/dbraw/zinc/44/12/47/361441247.db2.gz HYHKUYDJWJHKSM-GWCFXTLKSA-N -1 0 296.342 2.167 50 0 CEAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nccc(C)n2)c1 ZINC000017007758 361501918 /nfs/dbraw/zinc/50/19/18/361501918.db2.gz SKDYWKRWRUKUSC-UHFFFAOYSA-N -1 0 277.349 2.203 50 0 CEAARM O=c1[nH]c(=S)[nH]c([O-])c1C/C=C/c1ccccc1 ZINC000018068639 361513953 /nfs/dbraw/zinc/51/39/53/361513953.db2.gz BMTNNUZVWMBZGD-QPJJXVBHSA-N -1 0 260.318 2.394 50 0 CEAARM COC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000018244389 361518442 /nfs/dbraw/zinc/51/84/42/361518442.db2.gz FSZDYPAZSVODKH-UHFFFAOYSA-N -1 0 297.314 2.126 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000019279024 361525462 /nfs/dbraw/zinc/52/54/62/361525462.db2.gz NNERJJSZVRCASG-NSHDSACASA-N -1 0 281.377 2.394 50 0 CEAARM Cc1cc(NC(=O)c2cc(Cl)ccc2[O-])n(C)n1 ZINC000019839439 361558120 /nfs/dbraw/zinc/55/81/20/361558120.db2.gz LIFBVBUXBCSRBK-UHFFFAOYSA-N -1 0 265.700 2.340 50 0 CEAARM Cc1c(Cl)ccc2c1ncc(C(=O)[O-])c2NCCO ZINC000019793892 361554725 /nfs/dbraw/zinc/55/47/25/361554725.db2.gz VVAJZVMMZFNQMJ-UHFFFAOYSA-N -1 0 280.711 2.299 50 0 CEAARM C[C@H](OCC1CC1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237566939 370733590 /nfs/dbraw/zinc/73/35/90/370733590.db2.gz NDHSYIXRNOFZJF-PYJNHQTQSA-N -1 0 295.379 2.046 50 0 CEAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1F ZINC000237409750 370718905 /nfs/dbraw/zinc/71/89/05/370718905.db2.gz HTXVPHQEPHEWEA-CABZTGNLSA-N -1 0 265.284 2.005 50 0 CEAARM Cc1cc(C(=O)NC2(C(=O)[O-])CC2)c(Cl)cc1F ZINC000237710703 370746901 /nfs/dbraw/zinc/74/69/01/370746901.db2.gz SPVIYFGQUCHTMJ-UHFFFAOYSA-N -1 0 271.675 2.135 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000238077994 370770149 /nfs/dbraw/zinc/77/01/49/370770149.db2.gz IVSYLEQXMYCASR-FEAKQIBJSA-N -1 0 296.326 2.324 50 0 CEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000238174731 370772479 /nfs/dbraw/zinc/77/24/79/370772479.db2.gz FDFBFKWCPKHXEI-NXEZZACHSA-N -1 0 267.712 2.034 50 0 CEAARM Cc1occc1S([O-])=CC(=O)NCC1CCCCC1 ZINC000189629198 189540635 /nfs/dbraw/zinc/54/06/35/189540635.db2.gz PRGIHTFMXSWLFC-IBGZPJMESA-N -1 0 283.393 2.392 50 0 CEAARM CC(C)(C)c1csc(CN2CCC[C@H]2C(=O)[O-])n1 ZINC000094969206 364320474 /nfs/dbraw/zinc/32/04/74/364320474.db2.gz QHNYWOQCVVEZTC-VIFPVBQESA-N -1 0 268.382 2.490 50 0 CEAARM COc1cccc([C@@H]2C[C@H]2C(=O)NCCCCC(=O)[O-])c1 ZINC000095425301 364371132 /nfs/dbraw/zinc/37/11/32/364371132.db2.gz RHMSPVHVOPCMSH-UONOGXRCSA-N -1 0 291.347 2.170 50 0 CEAARM COc1cccc([C@H]2C[C@@H]2C(=O)NCCCCC(=O)[O-])c1 ZINC000095425300 364371141 /nfs/dbraw/zinc/37/11/41/364371141.db2.gz RHMSPVHVOPCMSH-KGLIPLIRSA-N -1 0 291.347 2.170 50 0 CEAARM CC(C)C[C@@H](O)C1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000095518983 364392931 /nfs/dbraw/zinc/39/29/31/364392931.db2.gz TZFBVXCTBZKIHL-CQSZACIVSA-N -1 0 292.379 2.403 50 0 CEAARM CC[C@H](CNC(=O)C1(C(=O)[O-])CC1)c1ccccc1 ZINC000097080126 364440660 /nfs/dbraw/zinc/44/06/60/364440660.db2.gz HIPBZUIIUOGQEC-LLVKDONJSA-N -1 0 261.321 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2.442 50 0 CEAARM CCc1ccccc1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000161694859 367106198 /nfs/dbraw/zinc/10/61/98/367106198.db2.gz NWZMJJDXBWAHBW-OAHLLOKOSA-N -1 0 261.321 2.232 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)[O-] ZINC000170625485 367388776 /nfs/dbraw/zinc/38/87/76/367388776.db2.gz JDHUVDDYJDACCL-YGRLFVJLSA-N -1 0 288.347 2.407 50 0 CEAARM O=C([O-])CCC1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000169676691 367370132 /nfs/dbraw/zinc/37/01/32/367370132.db2.gz ZUBLSMCPTLSOAW-UHFFFAOYSA-N -1 0 290.367 2.132 50 0 CEAARM CS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(C(=O)[O-])n2)C1 ZINC000170066938 367375506 /nfs/dbraw/zinc/37/55/06/367375506.db2.gz WJFPQFJVZGHFBX-VHSXEESVSA-N -1 0 294.376 2.136 50 0 CEAARM CCCc1onc2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000000248264 284127382 /nfs/dbraw/zinc/12/73/82/284127382.db2.gz JIXDMKGASGLQDL-LLVKDONJSA-N -1 0 265.309 2.181 50 0 CEAARM CCOc1ccccc1CSc1n[nH]c(=O)[n-]1 ZINC000194635809 370060067 /nfs/dbraw/zinc/06/00/67/370060067.db2.gz LEAGGQUUKCMBKB-UHFFFAOYSA-N 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O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC000012020484 304178826 /nfs/dbraw/zinc/17/88/26/304178826.db2.gz URTODHDLUJALJQ-LLVKDONJSA-N -1 0 267.712 2.419 50 0 CEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000111475991 304189803 /nfs/dbraw/zinc/18/98/03/304189803.db2.gz RZIDJMCTOZSUMD-RYUDHWBXSA-N -1 0 273.332 2.420 50 0 CEAARM COc1ccc(C(=O)NCCc2cccc(C(=O)[O-])c2)cc1 ZINC000315901710 376801453 /nfs/dbraw/zinc/80/14/53/376801453.db2.gz SWRURYVOBLGMAS-UHFFFAOYSA-N -1 0 299.326 2.366 50 0 CEAARM C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]21 ZINC000239173572 296264230 /nfs/dbraw/zinc/26/42/30/296264230.db2.gz OFARKPJWSCWOBZ-ICCXJUOJSA-N -1 0 285.299 2.086 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1C=CCC1 ZINC000019510254 304206265 /nfs/dbraw/zinc/20/62/65/304206265.db2.gz QZRZGYNCJALZOY-SWLSCSKDSA-N -1 0 285.343 2.381 50 0 CEAARM Cc1ccc(S(=O)(=O)c2cc(O)ccc2[O-])cc1 ZINC000000036613 169512565 /nfs/dbraw/zinc/51/25/65/169512565.db2.gz 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CC[C@H](C)[C@H](NC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000013654724 361435428 /nfs/dbraw/zinc/43/54/28/361435428.db2.gz KPYZRTSPHJJINH-GWCFXTLKSA-N -1 0 276.336 2.258 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)NCc1ccccc1F)C(=O)[O-] ZINC000013786844 361442229 /nfs/dbraw/zinc/44/22/29/361442229.db2.gz BECHWSPYSFVUIY-CABZTGNLSA-N -1 0 282.315 2.124 50 0 CEAARM CCc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@H]2CC(=O)[O-] ZINC000015085599 361466492 /nfs/dbraw/zinc/46/64/92/361466492.db2.gz ISHMVTYTYAKZMO-GFCCVEGCSA-N -1 0 299.330 2.389 50 0 CEAARM CSC1=NC(=O)C(Nc2cccc(C)c2)C([O-])=N1 ZINC000017322642 361508274 /nfs/dbraw/zinc/50/82/74/361508274.db2.gz SRRIRLNYDDYHRA-UHFFFAOYSA-N -1 0 263.322 2.249 50 0 CEAARM CC(=O)C=C(C)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000018128705 361514981 /nfs/dbraw/zinc/51/49/81/361514981.db2.gz HEBNEQXWFBLWSC-JOZWUWCOSA-N -1 0 286.331 2.246 50 0 CEAARM CCSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000018118802 361515283 /nfs/dbraw/zinc/51/52/83/361515283.db2.gz FKEKOBSQBLJZHD-UHFFFAOYSA-N -1 0 290.348 2.315 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000000293121 304107117 /nfs/dbraw/zinc/10/71/17/304107117.db2.gz KYLPETYBULKPEF-NWDGAFQWSA-N -1 0 253.342 2.280 50 0 CEAARM COc1ccc(CCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000019389155 361530066 /nfs/dbraw/zinc/53/00/66/361530066.db2.gz SAIMRHORBMNEKF-AWEZNQCLSA-N -1 0 291.347 2.094 50 0 CEAARM Cc1ccc2c(c1)CCCN2C(=O)c1c(C(=O)[O-])cnn1C ZINC000020615026 361583585 /nfs/dbraw/zinc/58/35/85/361583585.db2.gz PXIPHKVBBGHKHU-UHFFFAOYSA-N -1 0 299.330 2.020 50 0 CEAARM O=C([O-])C(NC(=O)c1ccccc1F)=C(Cl)Cl ZINC000027988619 361665726 /nfs/dbraw/zinc/66/57/26/361665726.db2.gz SGBXSVLDGISVAQ-UHFFFAOYSA-N -1 0 278.066 2.287 50 0 CEAARM CN(C[C@@H](O)C1CC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000087559470 363860429 /nfs/dbraw/zinc/86/04/29/363860429.db2.gz PMMDNCZKICDRJM-LLVKDONJSA-N -1 0 292.360 2.333 50 0 CEAARM O=C([O-])c1cc(-c2cncnc2)nc2ccccc21 ZINC000088315429 363889388 /nfs/dbraw/zinc/88/93/88/363889388.db2.gz 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O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000238187360 370772781 /nfs/dbraw/zinc/77/27/81/370772781.db2.gz NGIJFLHIBBBGPF-RKDXNWHRSA-N -1 0 288.130 2.298 50 0 CEAARM O=C([O-])Cc1ccccc1NC(=O)C[C@@H]1CCCCO1 ZINC000095031201 364324665 /nfs/dbraw/zinc/32/46/65/364324665.db2.gz UKUAIMCXEDOLKH-LBPRGKRZSA-N -1 0 277.320 2.211 50 0 CEAARM Cc1ccccc1CC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000094702135 364289470 /nfs/dbraw/zinc/28/94/70/364289470.db2.gz YIGGHOFTKLILIX-CQSZACIVSA-N -1 0 277.364 2.401 50 0 CEAARM Cc1nnc(CN(C)[C@H](C(=O)[O-])c2ccc(C)cc2C)o1 ZINC000095386986 364354948 /nfs/dbraw/zinc/35/49/48/364354948.db2.gz SYBJUGBHVSJTGK-AWEZNQCLSA-N -1 0 289.335 2.253 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])Cc1nc(CCC(C)C)no1 ZINC000095433455 364375330 /nfs/dbraw/zinc/37/53/30/364375330.db2.gz HODGYRMUPXGPJS-LLVKDONJSA-N -1 0 283.372 2.343 50 0 CEAARM Cc1ncsc1CCN(C)[C@H](C(=O)[O-])c1ccoc1 ZINC000095362621 364346502 /nfs/dbraw/zinc/34/65/02/364346502.db2.gz AUIXDIDYAJASDX-LBPRGKRZSA-N -1 0 280.349 2.345 50 0 CEAARM O=C([O-])c1ccc(NC=C2N=C(c3ccco3)OC2=O)cc1 ZINC000100604736 364548299 /nfs/dbraw/zinc/54/82/99/364548299.db2.gz BWUNIEFWIZMUTL-DHZHZOJOSA-N -1 0 298.254 2.235 50 0 CEAARM CCCCCc1c(C)nc2[n-]c(C(F)(F)F)nn2c1=O ZINC000101139239 364554878 /nfs/dbraw/zinc/55/48/78/364554878.db2.gz XYNAMJMHCNWDDV-UHFFFAOYSA-N -1 0 288.273 2.478 50 0 CEAARM C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000241644370 370783038 /nfs/dbraw/zinc/78/30/38/370783038.db2.gz PQEYARFNCQVTHC-QKCSRTOESA-N -1 0 293.338 2.374 50 0 CEAARM CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1 ZINC000216625975 189705722 /nfs/dbraw/zinc/70/57/22/189705722.db2.gz DNBDMTVETQOXMJ-LBPRGKRZSA-N -1 0 290.319 2.100 50 0 CEAARM CCCn1nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1C ZINC000170676027 367395798 /nfs/dbraw/zinc/39/57/98/367395798.db2.gz NILSHQJLWYQQMD-GFCCVEGCSA-N -1 0 295.383 2.139 50 0 CEAARM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000170811550 367421924 /nfs/dbraw/zinc/42/19/24/367421924.db2.gz 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CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000043583468 175070379 /nfs/dbraw/zinc/07/03/79/175070379.db2.gz WYPFKVHYXBVXBF-JTQLQIEISA-N -1 0 267.350 2.465 50 0 CEAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)NCC(=O)[O-] ZINC000049544447 175486968 /nfs/dbraw/zinc/48/69/68/175486968.db2.gz NCSBNZZJWVCGPW-UHFFFAOYSA-N -1 0 294.307 2.072 50 0 CEAARM CCCn1ccc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000071284324 176109480 /nfs/dbraw/zinc/10/94/80/176109480.db2.gz BHFDDKPLEYBGAN-UHFFFAOYSA-N -1 0 287.319 2.173 50 0 CEAARM C[C@H](CN(C(=O)c1ccccc1F)C1CC1)C(=O)[O-] ZINC000071731380 176256108 /nfs/dbraw/zinc/25/61/08/176256108.db2.gz CDMGXYJMRGQGPU-SECBINFHSA-N -1 0 265.284 2.151 50 0 CEAARM Nc1cc(-c2ccc(C(=O)[O-])cc2O)c2cc[nH]c2n1 ZINC000072145409 176325039 /nfs/dbraw/zinc/32/50/39/176325039.db2.gz NKYDCZZXADOTHE-UHFFFAOYSA-N -1 0 269.260 2.216 50 0 CEAARM C[C@@H]1CCc2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000039283132 260171760 /nfs/dbraw/zinc/17/17/60/260171760.db2.gz XUROCEZEOCOWSX-ZCFIWIBFSA-N -1 0 279.242 2.485 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000085159780 260371682 /nfs/dbraw/zinc/37/16/82/260371682.db2.gz NOLRXFXZYGRJHX-LLVKDONJSA-N -1 0 251.326 2.056 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000237279428 260676404 /nfs/dbraw/zinc/67/64/04/260676404.db2.gz BUGAAOWVADKBFY-QWRGUYRKSA-N -1 0 297.301 2.392 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)[O-])CC1 ZINC000066351437 278393907 /nfs/dbraw/zinc/39/39/07/278393907.db2.gz SEUSWUSUWUZJLG-JTQLQIEISA-N -1 0 257.330 2.498 50 0 CEAARM CC(C)(C)OC(=O)NC1(CC(=O)[O-])CCSCC1 ZINC000014632726 278424790 /nfs/dbraw/zinc/42/47/90/278424790.db2.gz OYPLUWVUSWPNPN-UHFFFAOYSA-N -1 0 275.370 2.252 50 0 CEAARM CC(C)C[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)[O-] ZINC000217856637 279190969 /nfs/dbraw/zinc/19/09/69/279190969.db2.gz RTOGHLOCSZFHNZ-ZDUSSCGKSA-N -1 0 288.347 2.407 50 0 CEAARM CC1(C)C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)CCO1 ZINC000012898297 281300752 /nfs/dbraw/zinc/30/07/52/281300752.db2.gz 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/nfs/dbraw/zinc/21/66/39/298216639.db2.gz ODMQXPJZWVHOGT-BXKDBHETSA-N -1 0 269.728 2.186 50 0 CEAARM C[C@H](CC(=O)[O-])CC(=O)c1ccc2c(c1)OCCO2 ZINC000043214289 298310041 /nfs/dbraw/zinc/31/00/41/298310041.db2.gz GKZCKEPKRBAALE-VIFPVBQESA-N -1 0 264.277 2.141 50 0 CEAARM Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@H]3C(=O)[O-])c2c1 ZINC000095527065 301214005 /nfs/dbraw/zinc/21/40/05/301214005.db2.gz XBNIPPLDJCZBKV-AWEZNQCLSA-N -1 0 298.342 2.459 50 0 CEAARM Cc1cc(C)n(-c2ccccc2F)c(=O)c1C(=O)[O-] ZINC000000089277 301235083 /nfs/dbraw/zinc/23/50/83/301235083.db2.gz YWIVUHQVJOQQBI-UHFFFAOYSA-N -1 0 261.252 2.292 50 0 CEAARM Cc1cc(Cl)ccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000001985786 301290399 /nfs/dbraw/zinc/29/03/99/301290399.db2.gz JXCVTVMOXHTEHB-MRVPVSSYSA-N -1 0 253.685 2.086 50 0 CEAARM Cc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)no1 ZINC000003230670 301346400 /nfs/dbraw/zinc/34/64/00/301346400.db2.gz CCMJXQHUKUATJX-UHFFFAOYSA-N -1 0 266.297 2.347 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000195551228 302308534 /nfs/dbraw/zinc/30/85/34/302308534.db2.gz ABKSUWQYJBRCLU-ZJUUUORDSA-N -1 0 281.377 2.387 50 0 CEAARM Cc1nn(CC(=O)[O-])c2nc(C)cc(C(F)(F)F)c12 ZINC000012351514 302803743 /nfs/dbraw/zinc/80/37/43/302803743.db2.gz NUVIHELTTZBAJK-UHFFFAOYSA-N -1 0 273.214 2.152 50 0 CEAARM Cn1nc(C(=O)[O-])c2cc(Br)ccc21 ZINC000095707228 303042971 /nfs/dbraw/zinc/04/29/71/303042971.db2.gz PRXFQVZMBVERDQ-UHFFFAOYSA-N -1 0 255.071 2.034 50 0 CEAARM NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000004076951 303339745 /nfs/dbraw/zinc/33/97/45/303339745.db2.gz GJLXTZOZEHWWTD-UHFFFAOYSA-N -1 0 294.930 2.016 50 0 in-vitro CEAARM Cc1cnn([C@@H](C)CNC(=O)c2ccc(O)c(F)c2)c1 ZINC000534642205 328328746 /nfs/dbraw/zinc/32/87/46/328328746.db2.gz QGGYYIGLWQAXIS-JTQLQIEISA-N -1 0 277.299 2.027 50 0 CEAARM COCC(C)(C)CNc1nc(C)[n-]c(=O)c1Cl ZINC000534640826 328336034 /nfs/dbraw/zinc/33/60/34/328336034.db2.gz CMBGJZWEQFQDMY-UHFFFAOYSA-N -1 0 259.737 2.229 50 0 CEAARM CCOc1ncccc1-c1ccc(CC(=O)[O-])cn1 ZINC000534669354 328346662 /nfs/dbraw/zinc/34/66/62/328346662.db2.gz VKORCBKYDWWBRZ-UHFFFAOYSA-N -1 0 258.277 2.169 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000269023283 330067581 /nfs/dbraw/zinc/06/75/81/330067581.db2.gz JFRNARRYDSXOFH-XEZPLFJOSA-N -1 0 291.322 2.252 50 0 CEAARM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)Cc1ccccc1 ZINC000299741265 330144056 /nfs/dbraw/zinc/14/40/56/330144056.db2.gz DEURKVTZYQPLFA-ZNMIVQPWSA-N -1 0 287.359 2.092 50 0 CEAARM Cc1cc(F)ccc1C(=O)/N=c1\[n-]ncn1-c1ccccc1 ZINC000096493728 533861300 /nfs/dbraw/zinc/86/13/00/533861300.db2.gz SVUYPTBMLDFUDC-UHFFFAOYSA-N -1 0 296.305 2.389 50 0 CEAARM CC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccs1 ZINC000049529814 522515988 /nfs/dbraw/zinc/51/59/88/522515988.db2.gz LKSWTJAQYMSHBJ-CIUDSAMLSA-N -1 0 253.323 2.036 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000097018054 527931322 /nfs/dbraw/zinc/93/13/22/527931322.db2.gz LLWJYKMDKZLTBT-NEPJUHHUSA-N -1 0 281.739 2.377 50 0 CEAARM C/C(=C/c1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CCC1 ZINC000097036311 604883322 /nfs/dbraw/zinc/88/33/22/604883322.db2.gz BCSZVXAWTZYKFT-KTKRTIGZSA-N -1 0 277.295 2.353 50 0 CEAARM CCCCCOCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000585128603 813694030 /nfs/dbraw/zinc/69/40/30/813694030.db2.gz HHNZZZHZTZSDGQ-UHFFFAOYSA-N -1 0 289.339 2.012 50 0 CEAARM Cn1cccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095956998 185042255 /nfs/dbraw/zinc/04/22/55/185042255.db2.gz YDGVUVPZQSFXMS-GFCCVEGCSA-N -1 0 290.294 2.110 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000095960567 185043777 /nfs/dbraw/zinc/04/37/77/185043777.db2.gz CEZDHIPNVUYEAQ-CYBMUJFWSA-N -1 0 288.278 2.167 50 0 CEAARM Cc1ccsc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961750 185044916 /nfs/dbraw/zinc/04/49/16/185044916.db2.gz FJYBTCQQFZJQPN-DTWKUNHWSA-N -1 0 253.323 2.040 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)CCc1ccccc1F ZINC000095970376 185048324 /nfs/dbraw/zinc/04/83/24/185048324.db2.gz JJAIWZCXDJEUMM-QWRGUYRKSA-N -1 0 281.327 2.374 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000095970031 185048835 /nfs/dbraw/zinc/04/88/35/185048835.db2.gz AMOBQYVEJGRMHR-MNOVXSKESA-N -1 0 281.739 2.377 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033441297 361780308 /nfs/dbraw/zinc/78/03/08/361780308.db2.gz BEAFAQURNJCAOY-VVEJJEBESA-N -1 0 279.723 2.429 50 0 CEAARM [O-]c1ccc(I)nc1Cl ZINC000034459169 361790702 /nfs/dbraw/zinc/79/07/02/361790702.db2.gz WQSIHSWWVYQVPV-UHFFFAOYSA-N -1 0 255.442 2.045 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 ZINC000037716506 361923970 /nfs/dbraw/zinc/92/39/70/361923970.db2.gz NTVMOIADKDDANP-LLVKDONJSA-N -1 0 259.305 2.357 50 0 CEAARM CC(C)(CNC(=O)c1ccc2cc[nH]c2c1)C(=O)[O-] ZINC000097018910 185152503 /nfs/dbraw/zinc/15/25/03/185152503.db2.gz FTVCLWBUFQEKKD-UHFFFAOYSA-N -1 0 260.293 2.009 50 0 CEAARM O=C([O-])C[C@H](NC(=O)c1ccc2ncccc2c1)C1CC1 ZINC000097022294 185154131 /nfs/dbraw/zinc/15/41/31/185154131.db2.gz FTAWJFMLFWTZLV-AWEZNQCLSA-N -1 0 284.315 2.218 50 0 CEAARM CC1CCC(NC(=O)CCc2cscn2)(C(=O)[O-])CC1 ZINC000097036135 185166336 /nfs/dbraw/zinc/16/63/36/185166336.db2.gz XYECOZZZDVVYTA-UHFFFAOYSA-N -1 0 296.392 2.225 50 0 CEAARM CSc1nc(-c2ccco2)nc(C)c1C(=O)[O-] ZINC000012505732 295687172 /nfs/dbraw/zinc/68/71/72/295687172.db2.gz PGNDWIUHNXRXQF-UHFFFAOYSA-N -1 0 250.279 2.465 50 0 CEAARM CCO[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000042327545 362084410 /nfs/dbraw/zinc/08/44/10/362084410.db2.gz AFYGORNLCQRQDD-ZDUSSCGKSA-N -1 0 277.320 2.026 50 0 CEAARM COc1ccc(C(=O)CC(C)(C)C(=O)[O-])c(OC)c1 ZINC000043214305 362139970 /nfs/dbraw/zinc/13/99/70/362139970.db2.gz JTHNRGCNFMPUHH-UHFFFAOYSA-N -1 0 266.293 2.387 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccco1 ZINC000022289070 343379407 /nfs/dbraw/zinc/37/94/07/343379407.db2.gz GBLVTAJATLYBSS-KIUWMYQTSA-N -1 0 297.310 2.331 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1F ZINC000685939670 539306105 /nfs/dbraw/zinc/30/61/05/539306105.db2.gz FVEBJVPLTZOSOJ-BZPMIXESSA-N -1 0 291.322 2.395 50 0 CEAARM O=c1nc(Cc2nc3ccccc3[nH]2)[n-]c2ccsc21 ZINC000048606344 362291153 /nfs/dbraw/zinc/29/11/53/362291153.db2.gz HOJMYNJAGRBVPI-UHFFFAOYSA-N -1 0 282.328 2.452 50 0 CEAARM CC(C)c1ccsc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000124043527 344312945 /nfs/dbraw/zinc/31/29/45/344312945.db2.gz UXQVVAQCZKASKA-SECBINFHSA-N -1 0 293.396 2.260 50 0 CEAARM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2cc(F)ccc2o1 ZINC000125020623 344318374 /nfs/dbraw/zinc/31/83/74/344318374.db2.gz QPCBMRMDZSUQAT-MRVPVSSYSA-N -1 0 299.323 2.430 50 0 CEAARM O=C([O-])c1cn(-c2cccc(OC(F)(F)F)c2)cn1 ZINC000143722651 344406415 /nfs/dbraw/zinc/40/64/15/344406415.db2.gz AHWOJVOKELEALV-UHFFFAOYSA-N -1 0 272.182 2.469 50 0 CEAARM Cc1ncsc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050921386 362423948 /nfs/dbraw/zinc/42/39/48/362423948.db2.gz VRPRWQCPLMWPIQ-SNVBAGLBSA-N -1 0 282.365 2.311 50 0 CEAARM Cc1cc([C@H](C)NC(=O)C2(C(=O)[O-])CC2)c(C)s1 ZINC000050292085 362414474 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ZINC000062639930 362719788 /nfs/dbraw/zinc/71/97/88/362719788.db2.gz KWUKWAGKVMWPGW-UHFFFAOYSA-N -1 0 286.353 2.122 50 0 CEAARM CSc1nc2n(n1)[C@H](c1cccs1)CC(C(=O)[O-])=N2 ZINC000101446960 185740400 /nfs/dbraw/zinc/74/04/00/185740400.db2.gz ODOJJLWWYOGLHM-ZETCQYMHSA-N -1 0 294.361 2.045 50 0 CEAARM COc1ccc(/C(C)=C\C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000606440991 347473244 /nfs/dbraw/zinc/47/32/44/347473244.db2.gz DEUNBGYGQPBCQR-IWMPZKFUSA-N -1 0 289.331 2.174 50 0 CEAARM Cc1ccnc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000104273927 185951642 /nfs/dbraw/zinc/95/16/42/185951642.db2.gz MVNCBCUBUMGZEU-WDEREUQCSA-N -1 0 262.309 2.220 50 0 CEAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCc2ccccc2F)C1 ZINC000108654715 186226292 /nfs/dbraw/zinc/22/62/92/186226292.db2.gz WGOIVFLDHDIVOQ-OLZOCXBDSA-N -1 0 293.338 2.375 50 0 CEAARM CO[N-]C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000069512164 362973790 /nfs/dbraw/zinc/97/37/90/362973790.db2.gz WQRSVZWFLXFPPV-ZCFIWIBFSA-N -1 0 264.108 2.438 50 0 CEAARM 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50 0 CEAARM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000131929919 187597348 /nfs/dbraw/zinc/59/73/48/187597348.db2.gz KUIHKPHWJGMOGD-NSHDSACASA-N -1 0 271.272 2.417 50 0 CEAARM COc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000252474967 539859671 /nfs/dbraw/zinc/85/96/71/539859671.db2.gz PLGNDGZVZXUFOP-UHFFFAOYSA-N -1 0 298.298 2.157 50 0 CEAARM CN(CC(=O)[O-])C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000153147796 188068077 /nfs/dbraw/zinc/06/80/77/188068077.db2.gz CZNYXMZKVDVIPK-UHFFFAOYSA-N -1 0 294.694 2.152 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC000132693147 366164073 /nfs/dbraw/zinc/16/40/73/366164073.db2.gz QCDWCYIBWBZOJD-BDAKNGLRSA-N -1 0 260.293 2.007 50 0 CEAARM Cc1nc(C)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)s1 ZINC000075106924 363440551 /nfs/dbraw/zinc/44/05/51/363440551.db2.gz JBXWBJJWMVAYNA-JTQLQIEISA-N -1 0 290.410 2.071 50 0 CEAARM O=C([O-])C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000020353705 304042427 /nfs/dbraw/zinc/04/24/27/304042427.db2.gz 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O=C([O-])c1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1O ZINC000011848528 361366134 /nfs/dbraw/zinc/36/61/34/361366134.db2.gz CGSSSXRWEMTVGR-UHFFFAOYSA-N -1 0 297.270 2.071 50 0 CEAARM Nc1nc(-c2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000012468453 361385600 /nfs/dbraw/zinc/38/56/00/361385600.db2.gz PYRIHWXWFMRKLX-UHFFFAOYSA-N -1 0 264.288 2.493 50 0 CEAARM O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000012552476 361390787 /nfs/dbraw/zinc/39/07/87/361390787.db2.gz HHOXTPDUGIWTNM-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM Cc1nn(CCCC(=O)[O-])c(C)c1Br ZINC000012394757 361381900 /nfs/dbraw/zinc/38/19/00/361381900.db2.gz BRJAPAKCHZOZJA-UHFFFAOYSA-N -1 0 261.119 2.127 50 0 CEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000013179100 361423183 /nfs/dbraw/zinc/42/31/83/361423183.db2.gz IIRKBFZCDXOLPC-RTXFEEFZSA-N -1 0 261.321 2.283 50 0 CEAARM Cc1ccc(OCC(=O)NC2CCCC2)c(C(=O)[O-])c1 ZINC000013085665 361418017 /nfs/dbraw/zinc/41/80/17/361418017.db2.gz VFGXHFFUMJJVMT-UHFFFAOYSA-N -1 0 277.320 2.131 50 0 CEAARM O=C([O-])c1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000013118419 361419615 /nfs/dbraw/zinc/41/96/15/361419615.db2.gz YOZKAXWBSRJVDP-UHFFFAOYSA-N -1 0 276.683 2.274 50 0 CEAARM COc1cccc(-c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)c1 ZINC000017113044 361504240 /nfs/dbraw/zinc/50/42/40/361504240.db2.gz QVEGNULQDGWNIH-UHFFFAOYSA-N -1 0 296.330 2.248 50 0 CEAARM NC(=O)c1cccnc1Sc1ccc(C(=O)[O-])cc1 ZINC000019480300 361537635 /nfs/dbraw/zinc/53/76/35/361537635.db2.gz YCDZAGKSVJPOFZ-UHFFFAOYSA-N -1 0 274.301 2.030 50 0 CEAARM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000019386740 361529889 /nfs/dbraw/zinc/52/98/89/361529889.db2.gz IIQLZUFRZAJAHH-SNVBAGLBSA-N -1 0 283.711 2.038 50 0 CEAARM C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003865918 296043935 /nfs/dbraw/zinc/04/39/35/296043935.db2.gz CXHIRCRLTNKXRG-XBVVOLJWSA-N -1 0 265.353 2.182 50 0 CEAARM O=C([O-])[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000025757513 361631581 /nfs/dbraw/zinc/63/15/81/361631581.db2.gz ONUIVMPUJMCSLI-CQSZACIVSA-N -1 0 258.273 2.384 50 0 CEAARM C[C@@](NC(=O)c1cccc2cc[nH]c21)(C(=O)[O-])C1CC1 ZINC000088731039 363916799 /nfs/dbraw/zinc/91/67/99/363916799.db2.gz LRYNTBYACGEHKD-HNNXBMFYSA-N -1 0 272.304 2.151 50 0 CEAARM CSc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cn1 ZINC000089532559 363978065 /nfs/dbraw/zinc/97/80/65/363978065.db2.gz JTQTWILOZZSVNQ-UHFFFAOYSA-N -1 0 299.377 2.209 50 0 CEAARM CCC[C@H](NC(=O)[C@@H](C)Cc1ccccc1)c1nnn[n-]1 ZINC000089949523 364021706 /nfs/dbraw/zinc/02/17/06/364021706.db2.gz UVFSNJJMMPTPTE-AAEUAGOBSA-N -1 0 287.367 2.036 50 0 CEAARM CCC[C@@H](NC(=O)[C@H](C)c1cccs1)c1nnn[n-]1 ZINC000089949545 364022701 /nfs/dbraw/zinc/02/27/01/364022701.db2.gz PBGCRSQOEJXAAQ-RKDXNWHRSA-N -1 0 279.369 2.022 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000037435306 304112383 /nfs/dbraw/zinc/11/23/83/304112383.db2.gz IUNDOBGDOJVOHC-KBPBESRZSA-N -1 0 273.332 2.182 50 0 CEAARM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCO1 ZINC000237578467 370734313 /nfs/dbraw/zinc/73/43/13/370734313.db2.gz 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/nfs/dbraw/zinc/29/10/70/364291070.db2.gz SIXIEHUVXACYFM-PWGYGRHZSA-N -1 0 253.342 2.492 50 0 CEAARM CCO[P@]1(=O)N=C([O-])N(c2ccccc2)N=C1C(C)=O ZINC000096191917 364408923 /nfs/dbraw/zinc/40/89/23/364408923.db2.gz FYSICJCKJUWQIJ-FQEVSTJZSA-N -1 0 295.235 2.348 50 0 CEAARM O=C([O-])Cc1csc(NC(=O)/C=C/c2ccsc2)n1 ZINC000095424028 364369876 /nfs/dbraw/zinc/36/98/76/364369876.db2.gz DBSHAKDLVZMKFW-OWOJBTEDSA-N -1 0 294.357 2.484 50 0 CEAARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1nncs1 ZINC000095439262 364378332 /nfs/dbraw/zinc/37/83/32/364378332.db2.gz SURLVWCYUSKSAY-UHFFFAOYSA-N -1 0 289.769 2.301 50 0 CEAARM O=S(=O)([N-]c1ncccc1F)c1c(F)cccc1F ZINC000097047025 364432531 /nfs/dbraw/zinc/43/25/31/364432531.db2.gz JQXPLULDDCKVIS-UHFFFAOYSA-N -1 0 288.250 2.300 50 0 CEAARM CC(C)[C@H](NC(=O)/C=C/c1cccc2cccnc12)C(=O)[O-] ZINC000096413666 364422422 /nfs/dbraw/zinc/42/24/22/364422422.db2.gz DBKXYKLRNRHFGP-HVHJFMEUSA-N -1 0 298.342 2.473 50 0 CEAARM Cc1nc(N2CCC(C(=O)[O-])CC2)cc(C(F)(F)F)n1 ZINC000096516874 364425669 /nfs/dbraw/zinc/42/56/69/364425669.db2.gz RPCLFXJAZDORSO-UHFFFAOYSA-N -1 0 289.257 2.105 50 0 CEAARM COCc1cc(=O)n2[n-]cc(-c3ccc(OC)cc3)c2n1 ZINC000100312543 364544627 /nfs/dbraw/zinc/54/46/27/364544627.db2.gz IDDQHSXNMHMPNA-UHFFFAOYSA-N -1 0 285.303 2.257 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000102212783 364587888 /nfs/dbraw/zinc/58/78/88/364587888.db2.gz AZEKNJGFCSHZID-MGCOHNPYSA-N -1 0 257.330 2.402 50 0 CEAARM Cc1ncsc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000111403301 364734450 /nfs/dbraw/zinc/73/44/50/364734450.db2.gz NICAFZLHNFNNTD-UHFFFAOYSA-N -1 0 290.344 2.122 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cn1 ZINC000170617495 367386882 /nfs/dbraw/zinc/38/68/82/367386882.db2.gz JCXNRNYQWPELSF-UHFFFAOYSA-N -1 0 291.376 2.257 50 0 CEAARM CC(C)[C@H](NC(=O)c1cccc2c1ccn2C)C(=O)[O-] ZINC000170625750 367388488 /nfs/dbraw/zinc/38/84/88/367388488.db2.gz QZHORXWVEGSJQB-ZDUSSCGKSA-N -1 0 274.320 2.017 50 0 CEAARM C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)c1cccnc1 ZINC000170065837 367373962 /nfs/dbraw/zinc/37/39/62/367373962.db2.gz BIRJBYFCWQDUKU-LLVKDONJSA-N -1 0 284.315 2.200 50 0 CEAARM O=C([O-])CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000225449590 189752036 /nfs/dbraw/zinc/75/20/36/189752036.db2.gz ZXYYOWKERCXGAO-NSHDSACASA-N -1 0 290.146 2.451 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc21 ZINC000177467224 368267704 /nfs/dbraw/zinc/26/77/04/368267704.db2.gz OTQSIQZVSWLROT-CQSZACIVSA-N -1 0 297.310 2.280 50 0 CEAARM CCCc1onc2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000000248267 284127059 /nfs/dbraw/zinc/12/70/59/284127059.db2.gz JIXDMKGASGLQDL-NSHDSACASA-N -1 0 265.309 2.181 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000000358650 304153168 /nfs/dbraw/zinc/15/31/68/304153168.db2.gz QBBPKILWLZTVIC-HNNXBMFYSA-N -1 0 281.311 2.338 50 0 CEAARM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-]c1ccon1 ZINC000194653133 370062462 /nfs/dbraw/zinc/06/24/62/370062462.db2.gz RCPAVEXBTGNVBA-UHFFFAOYSA-N -1 0 290.703 2.409 50 0 CEAARM O=C(/C=C\c1ccco1)NCCc1cccc(C(=O)[O-])c1 ZINC000215758664 370179127 /nfs/dbraw/zinc/17/91/27/370179127.db2.gz ODDLLPBQGVRWAA-SREVYHEPSA-N -1 0 285.299 2.350 50 0 CEAARM COC[C@H](NC(=O)c1cccc(F)c1[O-])c1ccccn1 ZINC000223645691 370268795 /nfs/dbraw/zinc/26/87/95/370268795.db2.gz IZAQLXGMYKMNEK-ZDUSSCGKSA-N -1 0 290.294 2.044 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCc1ccco1 ZINC000225442427 370295204 /nfs/dbraw/zinc/29/52/04/370295204.db2.gz CGDGSXRGERAHFD-OAHLLOKOSA-N -1 0 299.326 2.250 50 0 CEAARM Cc1cccc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000225458684 370296604 /nfs/dbraw/zinc/29/66/04/370296604.db2.gz BRDMSZRSPNGQDA-NEPJUHHUSA-N -1 0 261.321 2.067 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(F)cn1 ZINC000228564942 370407084 /nfs/dbraw/zinc/40/70/84/370407084.db2.gz ZQUAGNCLURVSKH-NSHDSACASA-N -1 0 280.299 2.080 50 0 CEAARM Cc1cc(C(=O)NC2(C(=O)[O-])CC2)c(C)n1C(C)C ZINC000236707298 189840041 /nfs/dbraw/zinc/84/00/41/189840041.db2.gz CRIAYKJSMDNAPV-UHFFFAOYSA-N -1 0 264.325 2.033 50 0 CEAARM CN1c2ccccc2C(=NNc2ccc(C(=O)[O-])cc2)C1=O ZINC000254508606 371537742 /nfs/dbraw/zinc/53/77/42/371537742.db2.gz SBUJDNMCBCFQQJ-UHFFFAOYSA-N -1 0 295.298 2.177 50 0 CEAARM O=C([O-])c1ccccc1CCC(=O)N1CCC=C(F)C1 ZINC000262898496 371920907 /nfs/dbraw/zinc/92/09/07/371920907.db2.gz ZRTCMKUGEDESRT-UHFFFAOYSA-N -1 0 277.295 2.403 50 0 CEAARM Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000237660460 189886051 /nfs/dbraw/zinc/88/60/51/189886051.db2.gz KXHOKHQMDNRTTL-RYUDHWBXSA-N -1 0 293.388 2.483 50 0 CEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F)C1CC1 ZINC000238078935 189899086 /nfs/dbraw/zinc/89/90/86/189899086.db2.gz BTFCQIXLUKHFHP-NXEZZACHSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000008467615 304173177 /nfs/dbraw/zinc/17/31/77/304173177.db2.gz ACDLFRQZDTZESK-CYBMUJFWSA-N -1 0 255.273 2.242 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3c4c(cccc42)CC3)C1 ZINC000000236884 304174833 /nfs/dbraw/zinc/17/48/33/304174833.db2.gz CFGPHPHSFHSBLM-LBPRGKRZSA-N -1 0 281.311 2.376 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000037296715 304182185 /nfs/dbraw/zinc/18/21/85/304182185.db2.gz JXYLDVDKOKIPOS-NSHDSACASA-N -1 0 294.376 2.023 50 0 CEAARM Cc1cc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)[nH]1 ZINC000328596442 376854374 /nfs/dbraw/zinc/85/43/74/376854374.db2.gz QCGSZAGPAIJNRF-CYBMUJFWSA-N -1 0 272.304 2.187 50 0 CEAARM COc1n[n-]c(=NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)s1 ZINC000331740377 377491618 /nfs/dbraw/zinc/49/16/18/377491618.db2.gz WYCRPLBLFBUWQA-BBBLOLIVSA-N -1 0 296.396 2.154 50 0 CEAARM O=C([O-])c1cc(=O)c2ccc(Br)cc2o1 ZINC000026438989 304220434 /nfs/dbraw/zinc/22/04/34/304220434.db2.gz VACMFRPTBQYGGH-UHFFFAOYSA-N -1 0 269.050 2.254 50 0 CEAARM O=C([O-])c1cc(C(=O)N[C@H]2CC23CCCCC3)ccn1 ZINC000263259987 304223201 /nfs/dbraw/zinc/22/32/01/304223201.db2.gz JKCLLOJBXGPSGK-LBPRGKRZSA-N -1 0 274.320 2.232 50 0 CEAARM CCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC000268933157 190453318 /nfs/dbraw/zinc/45/33/18/190453318.db2.gz ZIOYJFAHVRIYTH-UTUOFQBUSA-N -1 0 277.320 2.226 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000238002703 304236065 /nfs/dbraw/zinc/23/60/65/304236065.db2.gz XDQLKKFMESDGCG-AOOOYVTPSA-N -1 0 263.293 2.240 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000271917714 304237224 /nfs/dbraw/zinc/23/72/24/304237224.db2.gz GSNHZBGXCQUNIR-MJBXVCDLSA-N -1 0 289.331 2.072 50 0 CEAARM O=C([O-])c1ccc(I)c(F)c1 ZINC000026892809 304245977 /nfs/dbraw/zinc/24/59/77/304245977.db2.gz KPMBAMKKTJSICO-UHFFFAOYSA-N -1 0 266.009 2.129 50 0 CEAARM O=C([O-])c1ccnn1COc1ccc(Cl)cc1 ZINC000002537619 304273747 /nfs/dbraw/zinc/27/37/47/304273747.db2.gz GYKLRPNBQKOMDP-UHFFFAOYSA-N -1 0 252.657 2.271 50 0 CEAARM Cc1ccc(O)cc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000312834442 256857771 /nfs/dbraw/zinc/85/77/71/256857771.db2.gz URXMNMFYWBOIMH-NSHDSACASA-N -1 0 277.320 2.170 50 0 CEAARM CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)[O-])C1(C)C ZINC000095884107 256882023 /nfs/dbraw/zinc/88/20/23/256882023.db2.gz VTFQKTAQTXZWSV-XPTSAGLGSA-N -1 0 287.356 2.170 50 0 CEAARM CS(=O)(=O)C=C([O-])c1ccc(Cl)cc1Cl ZINC000001400501 169702038 /nfs/dbraw/zinc/70/20/38/169702038.db2.gz FLFKDUWSSTTXMN-UHFFFAOYSA-N -1 0 267.133 2.221 50 0 CEAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000237278636 131019949 /nfs/dbraw/zinc/01/99/49/131019949.db2.gz WZZJEVNLXSHYDL-KGLIPLIRSA-N -1 0 275.348 2.422 50 0 CEAARM C[C@H]1CC[C@H](CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)O1 ZINC000237561203 131041286 /nfs/dbraw/zinc/04/12/86/131041286.db2.gz YEVJCLGQGMAISR-NJZAAPMLSA-N -1 0 291.347 2.276 50 0 CEAARM O=C([O-])c1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000237968313 131070357 /nfs/dbraw/zinc/07/03/57/131070357.db2.gz FCGJQCCHFXDAGE-NSHDSACASA-N -1 0 289.331 2.026 50 0 CEAARM CCC1(NC(=O)c2c(C)coc2CC(=O)[O-])CCC1 ZINC000263052819 131280905 /nfs/dbraw/zinc/28/09/05/131280905.db2.gz WQDJPDMNBGTATC-UHFFFAOYSA-N -1 0 265.309 2.278 50 0 CEAARM COc1cc(Br)cc2cc(C(=O)[O-])c(=O)oc21 ZINC000000083851 394448258 /nfs/dbraw/zinc/44/82/58/394448258.db2.gz QRPXOSMJCGZWDQ-UHFFFAOYSA-N -1 0 299.076 2.262 50 0 CEAARM CC(C)(C)c1cc(CN2CCCC[C@H]2C(=O)[O-])[nH]n1 ZINC000244840355 394496609 /nfs/dbraw/zinc/49/66/09/394496609.db2.gz ULIZXSJUTWYZLD-NSHDSACASA-N -1 0 265.357 2.146 50 0 CEAARM COC(=O)CC12CC=CCC1(C(=O)[O-])CC=CC2 ZINC000045027897 394508693 /nfs/dbraw/zinc/50/86/93/394508693.db2.gz UCXDTEUONZZVBT-UHFFFAOYSA-N -1 0 250.294 2.307 50 0 CEAARM CCO[N-]C(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000048345757 400194702 /nfs/dbraw/zinc/19/47/02/400194702.db2.gz JGNFPNZCHNSDKW-VIFPVBQESA-N -1 0 257.717 2.483 50 0 CEAARM CC(=O)c1c([O-])n(-c2ccc(F)cc2)c(C)cc1=O ZINC000103731437 400259102 /nfs/dbraw/zinc/25/91/02/400259102.db2.gz RQIWHZVZZYNFAD-UHFFFAOYSA-N -1 0 261.252 2.193 50 0 CEAARM O=C([O-])C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 ZINC000262425276 153949122 /nfs/dbraw/zinc/94/91/22/153949122.db2.gz LQKUNWPZAFJWGM-CQSZACIVSA-N -1 0 273.332 2.040 50 0 CEAARM CCc1csc(NC(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC000263100471 154017164 /nfs/dbraw/zinc/01/71/64/154017164.db2.gz UNIDSTOHYXUTDW-UHFFFAOYSA-N -1 0 297.380 2.470 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)c1sccc1Cl)C1CC1 ZINC000263326171 154057633 /nfs/dbraw/zinc/05/76/33/154057633.db2.gz KNAIRXFSKVTDRG-LURJTMIESA-N -1 0 273.741 2.479 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3c2cccc3F)C1 ZINC000263346413 154061450 /nfs/dbraw/zinc/06/14/50/154061450.db2.gz UDXQNHGGDXNKJU-RBZYPMLTSA-N -1 0 291.322 2.430 50 0 CEAARM CC(C)c1cc(N(C)CC(=O)[O-])nc(C(C)C)n1 ZINC000263437750 154089166 /nfs/dbraw/zinc/08/91/66/154089166.db2.gz VYWBBVYZCSEHKF-UHFFFAOYSA-N -1 0 251.330 2.244 50 0 CEAARM C[C@@H](CN(C)c1nc2c(cccc2F)o1)C(=O)[O-] ZINC000263551433 154125140 /nfs/dbraw/zinc/12/51/40/154125140.db2.gz LDPUWSSAYOURNU-ZETCQYMHSA-N -1 0 252.245 2.124 50 0 CEAARM CC[C@@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004892013 287003319 /nfs/dbraw/zinc/00/33/19/287003319.db2.gz NXTVQPHDKPQPPA-UPJWGTAASA-N -1 0 265.353 2.445 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000001703144 169745889 /nfs/dbraw/zinc/74/58/89/169745889.db2.gz ZYJPUMXJBDHSIF-NSHDSACASA-N -1 0 265.309 2.207 50 0 in-vitro CEAARM CCOC(=O)c1c([O-])c2cc(Cl)ccc2oc1=O ZINC000002391438 169790849 /nfs/dbraw/zinc/79/08/49/169790849.db2.gz HLTVXLQQYRMQQF-UHFFFAOYSA-N -1 0 268.652 2.329 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000003566212 169898133 /nfs/dbraw/zinc/89/81/33/169898133.db2.gz CQGNGBSJYVTYEE-UHFFFAOYSA-N -1 0 283.328 2.275 50 0 CEAARM CCOC(=O)c1ccccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000003646784 169906169 /nfs/dbraw/zinc/90/61/69/169906169.db2.gz BFONPJRZILOOSE-JTQLQIEISA-N -1 0 293.319 2.303 50 0 CEAARM CCOc1cc(C=O)c(Cl)cc1OCC(=O)[O-] ZINC000004951052 170044666 /nfs/dbraw/zinc/04/46/66/170044666.db2.gz OHIVEVOHOXOLRT-UHFFFAOYSA-N -1 0 258.657 2.015 50 0 CEAARM CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2n1C)C(=O)[O-] ZINC000005266827 170081153 /nfs/dbraw/zinc/08/11/53/170081153.db2.gz RJNOTZWZOBDTGR-ZDUSSCGKSA-N -1 0 292.310 2.156 50 0 CEAARM C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005429016 170098642 /nfs/dbraw/zinc/09/86/42/170098642.db2.gz FSWQIRAILVPQQO-SNVBAGLBSA-N -1 0 274.320 2.080 50 0 CEAARM CCn1nc(C)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000005557330 170112682 /nfs/dbraw/zinc/11/26/82/170112682.db2.gz SBUSIAGUGPQSRP-RYUDHWBXSA-N -1 0 293.367 2.349 50 0 CEAARM O=C(Nc1ccccn1)c1nc[n-]c1C(=O)c1ccccc1 ZINC000006499384 170207201 /nfs/dbraw/zinc/20/72/01/170207201.db2.gz XWEAHMYQJKXLML-UHFFFAOYSA-N -1 0 292.298 2.288 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cn1 ZINC000006706693 170231060 /nfs/dbraw/zinc/23/10/60/170231060.db2.gz MZTLXQINDWYUNJ-UHFFFAOYSA-N -1 0 295.364 2.021 50 0 CEAARM Cc1ccc(OCC(=O)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000008026795 170314906 /nfs/dbraw/zinc/31/49/06/170314906.db2.gz GGUVXIHRMWAKNC-UHFFFAOYSA-N -1 0 291.347 2.005 50 0 CEAARM Cc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1Cl ZINC000008767202 170354779 /nfs/dbraw/zinc/35/47/79/170354779.db2.gz MUJBKVRSAHIXHG-UHFFFAOYSA-N -1 0 250.689 2.179 50 0 CEAARM CCCc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000009306851 170371063 /nfs/dbraw/zinc/37/10/63/170371063.db2.gz WBDKXNRACRLAAC-UHFFFAOYSA-N -1 0 254.293 2.449 50 0 CEAARM O=C([O-])CSc1nncn1-c1cccc(Cl)c1 ZINC000009322540 170371948 /nfs/dbraw/zinc/37/19/48/170371948.db2.gz PAHLYSDTLRDXMN-UHFFFAOYSA-N -1 0 269.713 2.097 50 0 CEAARM CN(CC(=O)[O-])c1nc(C(F)(F)F)nc2ccccc21 ZINC000011990433 170464973 /nfs/dbraw/zinc/46/49/73/170464973.db2.gz VTMCMZAGUXRKCL-UHFFFAOYSA-N -1 0 285.225 2.169 50 0 CEAARM Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000019410445 170788979 /nfs/dbraw/zinc/78/89/79/170788979.db2.gz CJIRJRXFKXGADY-VIFPVBQESA-N -1 0 255.339 2.286 50 0 CEAARM O=C([O-])[C@H](NC(=O)CCc1ccco1)c1ccccc1 ZINC000020250909 171103435 /nfs/dbraw/zinc/10/34/35/171103435.db2.gz HIAQBDYZNCHBAL-CQSZACIVSA-N -1 0 273.288 2.154 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1ccco1 ZINC000020251060 171103665 /nfs/dbraw/zinc/10/36/65/171103665.db2.gz GQJPTUUAUUVLNJ-XBFCOCLRSA-N -1 0 291.347 2.457 50 0 CEAARM COc1ccc(-c2nnc3c(C(=O)[O-])cccn23)cc1 ZINC000020273898 171130849 /nfs/dbraw/zinc/13/08/49/171130849.db2.gz HNALQFKRXCSRJV-UHFFFAOYSA-N -1 0 269.260 2.103 50 0 CEAARM C[C@@H]1C[C@@H](C)CN(C(=O)NCCCCCC(=O)[O-])C1 ZINC000020426228 171192810 /nfs/dbraw/zinc/19/28/10/171192810.db2.gz FLFLTIKDEDDMMB-VXGBXAGGSA-N -1 0 270.373 2.319 50 0 CEAARM Cc1[nH]nc(NC(=O)C=CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000035323889 172126154 /nfs/dbraw/zinc/12/61/54/172126154.db2.gz JIHSWQXCGXRSLE-VOTSOKGWSA-N -1 0 289.266 2.104 50 0 CEAARM CCCc1c(C(=O)[O-])nnn1-c1ccc(C)cc1F ZINC000037312355 173114683 /nfs/dbraw/zinc/11/46/83/173114683.db2.gz WQRVKWMONLPIGC-UHFFFAOYSA-N -1 0 263.272 2.366 50 0 CEAARM CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000037407746 173184125 /nfs/dbraw/zinc/18/41/25/173184125.db2.gz WKJXYFPFWMQJMB-MRVPVSSYSA-N -1 0 261.730 2.241 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000037410349 173186879 /nfs/dbraw/zinc/18/68/79/173186879.db2.gz TXKRJLAQMZATSL-AWEZNQCLSA-N -1 0 273.332 2.255 50 0 CEAARM COc1ccccc1CCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419719 173196836 /nfs/dbraw/zinc/19/68/36/173196836.db2.gz NSJYRKSCEFAWOZ-UHFFFAOYSA-N -1 0 291.347 2.141 50 0 CEAARM CN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037517905 173248542 /nfs/dbraw/zinc/24/85/42/173248542.db2.gz BLKYGKNAUQGRSQ-NXEZZACHSA-N -1 0 267.712 2.019 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)c1cc(Cl)ccc1F ZINC000038023262 174004948 /nfs/dbraw/zinc/00/49/48/174004948.db2.gz OCTHKGHBKGRYSY-UHFFFAOYSA-N -1 0 273.691 2.416 50 0 CEAARM COc1cccc(Cc2nc(CC(=O)[O-])cs2)c1 ZINC000040447940 174265463 /nfs/dbraw/zinc/26/54/63/174265463.db2.gz NGVJJXWBEWGFKO-UHFFFAOYSA-N -1 0 263.318 2.370 50 0 CEAARM O=C([O-])[C@@H](c1ccc(F)cc1)N1Cc2cccnc2C1=O ZINC000040449786 174265802 /nfs/dbraw/zinc/26/58/02/174265802.db2.gz COJUMNILLDSWCX-CYBMUJFWSA-N -1 0 286.262 2.002 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2)c1-c1cccnc1 ZINC000040478846 174283272 /nfs/dbraw/zinc/28/32/72/174283272.db2.gz RUIIXCWLCGFNLP-UHFFFAOYSA-N -1 0 266.260 2.028 50 0 CEAARM CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000040543818 174324036 /nfs/dbraw/zinc/32/40/36/174324036.db2.gz XFDIUVJKCXFMBR-UHFFFAOYSA-N -1 0 299.735 2.289 50 0 CEAARM Cc1cc(C)cc([C@H](NC(=O)[C@@H]2C[C@@H]2C)C(=O)[O-])c1 ZINC000653666345 415068068 /nfs/dbraw/zinc/06/80/68/415068068.db2.gz XPNHETLLJSUUGJ-UHTWSYAYSA-N -1 0 261.321 2.201 50 0 CEAARM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000044362913 175167699 /nfs/dbraw/zinc/16/76/99/175167699.db2.gz PKIUGKHSQPDVGT-SECBINFHSA-N -1 0 298.770 2.080 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000062001806 175660185 /nfs/dbraw/zinc/66/01/85/175660185.db2.gz CXNVATYHOZHZRH-NEPJUHHUSA-N -1 0 272.304 2.463 50 0 CEAARM CC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000263570479 287312058 /nfs/dbraw/zinc/31/20/58/287312058.db2.gz IGTHIYGMMHKQOS-MGPQQGTHSA-N -1 0 273.332 2.071 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000070523852 175969032 /nfs/dbraw/zinc/96/90/32/175969032.db2.gz WUTIPWMXWNFAJT-OCCSQVGLSA-N -1 0 284.315 2.218 50 0 CEAARM O=C([O-])C1(NC(=O)CCc2ccccc2F)CCCC1 ZINC000078307628 177331628 /nfs/dbraw/zinc/33/16/28/177331628.db2.gz OJCKLQDABQACOA-UHFFFAOYSA-N -1 0 279.311 2.272 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)COc1ccc(Cl)cc1 ZINC000079480238 177499214 /nfs/dbraw/zinc/49/92/14/177499214.db2.gz QUVWWVPPWDUEQY-AWEZNQCLSA-N -1 0 297.738 2.185 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cscn1 ZINC000062354208 260235732 /nfs/dbraw/zinc/23/57/32/260235732.db2.gz YDROTQZJQOQSBI-SECBINFHSA-N -1 0 268.338 2.003 50 0 CEAARM COc1cc(C(=O)[O-])nn1-c1ccc(F)c(Cl)c1 ZINC000045929927 261490849 /nfs/dbraw/zinc/49/08/49/261490849.db2.gz BAZOBBCHQLEESN-UHFFFAOYSA-N -1 0 270.647 2.372 50 0 CEAARM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)C2(C#N)CCCC2)C1 ZINC000095992072 278278506 /nfs/dbraw/zinc/27/85/06/278278506.db2.gz DCVFUVKVRKOKQO-GFCCVEGCSA-N -1 0 292.379 2.420 50 0 CEAARM CC(C)Oc1cccc(/C=C\C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000221917957 279729407 /nfs/dbraw/zinc/72/94/07/279729407.db2.gz HLAZVPUFGVGSFW-SKVAFPRGSA-N -1 0 277.320 2.076 50 0 CEAARM CC(C)[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)c1cccc(F)c1 ZINC000004795986 280099453 /nfs/dbraw/zinc/09/94/53/280099453.db2.gz PRFPTTRRRNIODV-YPMHNXCESA-N -1 0 297.351 2.450 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C\c1cccc(F)c1 ZINC000208205390 280206267 /nfs/dbraw/zinc/20/62/67/280206267.db2.gz RCWIFFBYMLCCMI-WSROAFLRSA-N -1 0 277.295 2.305 50 0 CEAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NCC(C)C)cc1 ZINC000057607712 295239963 /nfs/dbraw/zinc/23/99/63/295239963.db2.gz NXELIPBUJQZFNK-ZDUSSCGKSA-N -1 0 293.363 2.416 50 0 CEAARM C[C@H](NC(=O)/C=C\C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000006200874 299008565 /nfs/dbraw/zinc/00/85/65/299008565.db2.gz QKFUEKJCUKCAMS-PJOGHYRISA-N -1 0 277.364 2.348 50 0 CEAARM C[C@H]1CCc2c(sc3ncnc(NCC(=O)[O-])c32)C1 ZINC000000131678 300087869 /nfs/dbraw/zinc/08/78/69/300087869.db2.gz HODHTZABTGRJPR-ZETCQYMHSA-N -1 0 277.349 2.313 50 0 CEAARM Cc1cc(C)c(C)c(S(=O)(=O)NCCCC(=O)[O-])c1C ZINC000003321765 301177307 /nfs/dbraw/zinc/17/73/07/301177307.db2.gz VUMSWKCPJSILTE-UHFFFAOYSA-N -1 0 299.392 2.063 50 0 CEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000013225502 301523543 /nfs/dbraw/zinc/52/35/43/301523543.db2.gz UXWAENUOCBLSRA-SRVKXCTJSA-N -1 0 277.320 2.446 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000100548342 301532842 /nfs/dbraw/zinc/53/28/42/301532842.db2.gz IBPZYQWIASFOQQ-TXEJJXNPSA-N -1 0 285.299 2.149 50 0 CEAARM Cc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1C ZINC000022218968 301945346 /nfs/dbraw/zinc/94/53/46/301945346.db2.gz TXVDLQWWBZGVFL-ZDUSSCGKSA-N -1 0 261.321 2.383 50 0 CEAARM Cc1ccccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000138810 302104435 /nfs/dbraw/zinc/10/44/35/302104435.db2.gz XVDRNJOUTFCUSS-UHFFFAOYSA-N -1 0 281.267 2.494 50 0 CEAARM Cc1noc2nc(-c3ccncc3)cc(C(=O)[O-])c12 ZINC000022223153 302857546 /nfs/dbraw/zinc/85/75/46/302857546.db2.gz DFDSVJANCOJWRR-UHFFFAOYSA-N -1 0 255.233 2.291 50 0 CEAARM Cn1c2cc(C(=O)[O-])ccc2n(CCc2ccccc2)c1=O ZINC000055133519 302900468 /nfs/dbraw/zinc/90/04/68/302900468.db2.gz UNKZBVVCJNCHRS-UHFFFAOYSA-N -1 0 296.326 2.281 50 0 CEAARM O=c1c2c(nc3c(-c4ccccc4)c[n-]n31)CCC2 ZINC000005731505 304815894 /nfs/dbraw/zinc/81/58/94/304815894.db2.gz YLHDYUMBNPAVFB-UHFFFAOYSA-N -1 0 251.289 2.178 50 0 CEAARM CC(C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)[O-] ZINC000034601195 327944456 /nfs/dbraw/zinc/94/44/56/327944456.db2.gz QWBAEXAXGICBAB-YFKPBYRVSA-N -1 0 292.546 2.192 50 0 CEAARM Cc1cc(C(N)=O)c(-c2ccc(C(=O)[O-])s2)nc1C ZINC000534577146 328310164 /nfs/dbraw/zinc/31/01/64/328310164.db2.gz OQCQBRAFHSGQCH-UHFFFAOYSA-N -1 0 276.317 2.224 50 0 CEAARM CCn1ncc(-c2cc(F)ccc2OC)c1C(=O)[O-] ZINC000534581941 328312309 /nfs/dbraw/zinc/31/23/09/328312309.db2.gz UVSDLZCDNXUUNH-UHFFFAOYSA-N -1 0 264.256 2.416 50 0 CEAARM CCCCc1ccc(-c2nccc(NCC(=O)[O-])n2)cc1 ZINC000534631138 328331336 /nfs/dbraw/zinc/33/13/36/328331336.db2.gz BTPHGVAUUSSYHW-UHFFFAOYSA-N -1 0 285.347 2.405 50 0 CEAARM Cn1ncc(-c2cccc3cnccc32)c1C(=O)[O-] ZINC000534671781 328348053 /nfs/dbraw/zinc/34/80/53/328348053.db2.gz OVQCWGSTBCCQJH-UHFFFAOYSA-N -1 0 253.261 2.334 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC000268941058 330067141 /nfs/dbraw/zinc/06/71/41/330067141.db2.gz LKXJHJZMOHOQES-GFCCVEGCSA-N -1 0 251.326 2.200 50 0 CEAARM CCC(CC)(CNC(=O)[C@@H]1CC=CCC1)C(=O)[O-] ZINC000137631849 500648648 /nfs/dbraw/zinc/64/86/48/500648648.db2.gz RHOKBKBUEXGJBX-LLVKDONJSA-N -1 0 253.342 2.350 50 0 CEAARM C[C@H](CNC(=O)c1coc2ccccc12)CC(=O)[O-] ZINC000097016295 534119108 /nfs/dbraw/zinc/11/91/08/534119108.db2.gz VMTJHOPCBBUYPX-VIFPVBQESA-N -1 0 261.277 2.273 50 0 CEAARM CC(C)Oc1cccc(-c2cnn(CC(=O)[O-])c2)c1 ZINC000067956358 519782092 /nfs/dbraw/zinc/78/20/92/519782092.db2.gz KQSOBKIXCBVCFJ-UHFFFAOYSA-N -1 0 260.293 2.422 50 0 CEAARM O=C([O-])CCCN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000116391595 534489154 /nfs/dbraw/zinc/48/91/54/534489154.db2.gz HNVWGLAAAJDLOR-CYBMUJFWSA-N -1 0 285.290 2.203 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1Cl ZINC000184901175 521556722 /nfs/dbraw/zinc/55/67/22/521556722.db2.gz PNXJZKBARXZEKX-UHFFFAOYSA-N -1 0 287.718 2.345 50 0 CEAARM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000155802556 524890587 /nfs/dbraw/zinc/89/05/87/524890587.db2.gz ARPKNCZHIWAOFO-GXFFZTMASA-N -1 0 279.311 2.080 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000097018048 527931170 /nfs/dbraw/zinc/93/11/70/527931170.db2.gz HLISLSHSWKNRBJ-STQMWFEESA-N -1 0 261.321 2.032 50 0 CEAARM CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000263577576 535298761 /nfs/dbraw/zinc/29/87/61/535298761.db2.gz ROYUZFITESLRJO-DOMZBBRYSA-N -1 0 291.347 2.313 50 0 CEAARM N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)[O-] ZINC000084383592 600981907 /nfs/dbraw/zinc/98/19/07/600981907.db2.gz XCIHVPCONSQMNC-WEVVVXLNSA-N -1 0 253.204 2.322 50 0 CEAARM Cc1nc(CCC2CCCCC2)n(CC(=O)[O-])n1 ZINC000096161915 625519650 /nfs/dbraw/zinc/51/96/50/625519650.db2.gz ITGZNSUXFRVSQG-UHFFFAOYSA-N -1 0 251.330 2.184 50 0 CEAARM O=C([O-])[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000116932210 810696637 /nfs/dbraw/zinc/69/66/37/810696637.db2.gz BLQLDUGKXMFTKB-SSDOTTSWSA-N -1 0 265.490 2.221 50 0 CEAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)C(C1CC1)C1CC1 ZINC000096493745 230383431 /nfs/dbraw/zinc/38/34/31/230383431.db2.gz OLCXXMIGCRELHY-UHFFFAOYSA-N -1 0 282.347 2.064 50 0 CEAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000097018326 230386557 /nfs/dbraw/zinc/38/65/57/230386557.db2.gz IFTWLGDZCDCQAZ-ZWNOBZJWSA-N -1 0 273.288 2.471 50 0 CEAARM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000098010288 230389690 /nfs/dbraw/zinc/38/96/90/230389690.db2.gz PMGXNIKBYCGDFS-UHFFFAOYSA-N -1 0 284.287 2.469 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000095961774 185045029 /nfs/dbraw/zinc/04/50/29/185045029.db2.gz 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CEAARM COc1cc(CO)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004223036 361306814 /nfs/dbraw/zinc/30/68/14/361306814.db2.gz GUWHVAKCCRJQTF-UHFFFAOYSA-N -1 0 288.299 2.465 50 0 CEAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000004292115 361310846 /nfs/dbraw/zinc/31/08/46/361310846.db2.gz HXGXPXKVLABNON-UHFFFAOYSA-N -1 0 299.282 2.408 50 0 CEAARM O=S(=O)([N-]c1ncccn1)c1ccc2ccccc2c1 ZINC000004030516 361297865 /nfs/dbraw/zinc/29/78/65/361297865.db2.gz ATJFWWHOCMBTJV-UHFFFAOYSA-N -1 0 285.328 2.431 50 0 CEAARM C[C@@H]1C[C@@H](C)CN(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000004690393 361326663 /nfs/dbraw/zinc/32/66/63/361326663.db2.gz YFPGTHTVKSONAV-GHMZBOCLSA-N -1 0 255.358 2.382 50 0 CEAARM Cc1nn(C)cc1-c1nn(-c2ccccc2)cc1C(=O)[O-] ZINC000008733285 361343635 /nfs/dbraw/zinc/34/36/35/361343635.db2.gz CVJXYPQXTLEFPE-UHFFFAOYSA-N -1 0 282.303 2.279 50 0 CEAARM O=C([O-])CCc1nc2ccccc2n(-c2ccccc2)c1=O ZINC000012357820 361379105 /nfs/dbraw/zinc/37/91/05/361379105.db2.gz UVNXMKDRYFFUOD-UHFFFAOYSA-N -1 0 294.310 2.403 50 0 CEAARM O=C([O-])/C=C/C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000012368496 361379153 /nfs/dbraw/zinc/37/91/53/361379153.db2.gz HRIYGWKTHCAAOR-ONEGZZNKSA-N -1 0 274.103 2.250 50 0 CEAARM O=C([O-])/C=C/c1cccc(I)c1 ZINC000012404738 361382858 /nfs/dbraw/zinc/38/28/58/361382858.db2.gz XQOFQTFBKOHMCW-SNAWJCMRSA-N -1 0 274.057 2.389 50 0 CEAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1F ZINC000012881602 361405342 /nfs/dbraw/zinc/40/53/42/361405342.db2.gz VGSYJVKBWQBZOX-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1cccs1 ZINC000012983340 361413718 /nfs/dbraw/zinc/41/37/18/361413718.db2.gz CESLJOSWMCFILE-GHMZBOCLSA-N -1 0 265.334 2.031 50 0 CEAARM Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170800 361422177 /nfs/dbraw/zinc/42/21/77/361422177.db2.gz WMNQLTCDXJHFIA-OLZOCXBDSA-N -1 0 291.347 2.086 50 0 CEAARM C[C@H](NC(=O)COc1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000013318907 361425218 /nfs/dbraw/zinc/42/52/18/361425218.db2.gz JWPSMQOKBJNRBW-QMMMGPOBSA-N -1 0 297.738 2.332 50 0 CEAARM COc1ccc(CNc2ncccc2C(=O)[O-])cc1OC ZINC000013090606 361418433 /nfs/dbraw/zinc/41/84/33/361418433.db2.gz QLLPQVYBRMYJIR-UHFFFAOYSA-N -1 0 288.303 2.409 50 0 CEAARM O=C([O-])CCc1ccccc1I ZINC000015443122 361474085 /nfs/dbraw/zinc/47/40/85/361474085.db2.gz POJTZKMVSQVKNR-UHFFFAOYSA-N -1 0 276.073 2.308 50 0 CEAARM O=C([O-])C1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000016159610 361484603 /nfs/dbraw/zinc/48/46/03/361484603.db2.gz BZPFAFUAKAKTFP-UHFFFAOYSA-N -1 0 274.242 2.401 50 0 CEAARM CCCn1c2ccccc2c([O-])c(C(=O)NC(C)C)c1=O ZINC000016675590 361495837 /nfs/dbraw/zinc/49/58/37/361495837.db2.gz ZRYXOSHOJMJOAA-UHFFFAOYSA-N -1 0 288.347 2.255 50 0 CEAARM O=c1cnnc(Nc2ccc(Br)cc2)[n-]1 ZINC000016806850 361497941 /nfs/dbraw/zinc/49/79/41/361497941.db2.gz BVOFYQPKVHGMIE-UHFFFAOYSA-N -1 0 267.086 2.083 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2C2CC2)c(C)c1 ZINC000019813416 361556558 /nfs/dbraw/zinc/55/65/58/361556558.db2.gz JVDNKHGWFNRGJP-UHFFFAOYSA-N -1 0 257.293 2.460 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2c(F)cccc2F)C1 ZINC000128515461 304108042 /nfs/dbraw/zinc/10/80/42/304108042.db2.gz QUAHXZUWAQYYCW-SNVBAGLBSA-N -1 0 297.301 2.221 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)[O-])CC[C@@H]2C1 ZINC000091302513 364069356 /nfs/dbraw/zinc/06/93/56/364069356.db2.gz CPOZYRAAEGVJCM-AXFHLTTASA-N -1 0 269.341 2.354 50 0 CEAARM COc1ccc(/C(C)=C/C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237334464 370711779 /nfs/dbraw/zinc/71/17/79/370711779.db2.gz DMOLHDCGICPTGO-STRFDMGBSA-N -1 0 289.331 2.032 50 0 CEAARM C[C@H](CCOc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237475786 370725619 /nfs/dbraw/zinc/72/56/19/370725619.db2.gz ZRIZPIZZLDOWPY-OLZOCXBDSA-N -1 0 291.347 2.025 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CC1 ZINC000237630674 370739671 /nfs/dbraw/zinc/73/96/71/370739671.db2.gz BDXSDLCJGWHRIG-KBPBESRZSA-N -1 0 273.332 2.174 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000237647390 370740735 /nfs/dbraw/zinc/74/07/35/370740735.db2.gz GWNBFWSDPIEIDX-IOASZLSFSA-N -1 0 291.322 2.252 50 0 CEAARM Cc1ccc(C)c(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000237641015 370741439 /nfs/dbraw/zinc/74/14/39/370741439.db2.gz MGPLPZWPSDGUBA-UHFFFAOYSA-N -1 0 291.347 2.009 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000238081678 370769869 /nfs/dbraw/zinc/76/98/69/370769869.db2.gz WNMXATUDHCZDTA-JQWIXIFHSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCC1CCOCC1 ZINC000238219758 370773802 /nfs/dbraw/zinc/77/38/02/370773802.db2.gz OSKHHHMCRWDPPH-AWEZNQCLSA-N -1 0 297.395 2.439 50 0 CEAARM Cc1ccc(/C=C/C(=O)NC2(CC(=O)[O-])CCC2)o1 ZINC000094290793 364264114 /nfs/dbraw/zinc/26/41/14/364264114.db2.gz NOAMKCLDDQIKBV-AATRIKPKSA-N -1 0 263.293 2.115 50 0 CEAARM O=C([O-])CCNC(=O)c1cccc(C(F)(F)F)c1F ZINC000094598198 364282770 /nfs/dbraw/zinc/28/27/70/364282770.db2.gz WDVIAENVMNKETH-UHFFFAOYSA-N -1 0 279.189 2.049 50 0 CEAARM Cc1n[nH]c(C)c1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000095426846 364370725 /nfs/dbraw/zinc/37/07/25/364370725.db2.gz KEDLKEIRZGSPEU-UHFFFAOYSA-N -1 0 297.717 2.455 50 0 CEAARM CCCn1nnc2cc(C(=O)[O-])cc(Br)c21 ZINC000095496115 364392134 /nfs/dbraw/zinc/39/21/34/364392134.db2.gz IMCDTFDNOQSTDB-UHFFFAOYSA-N -1 0 284.113 2.302 50 0 CEAARM CN(Cc1cc[nH]n1)[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000095374931 364349917 /nfs/dbraw/zinc/34/99/17/364349917.db2.gz ZIXJZXGWEPEHCJ-LBPRGKRZSA-N -1 0 279.727 2.321 50 0 CEAARM C[C@]1(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCCS1 ZINC000157122395 366841202 /nfs/dbraw/zinc/84/12/02/366841202.db2.gz UEGOGOBDLQSVME-COPLHBTASA-N -1 0 285.409 2.279 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000097568971 364510645 /nfs/dbraw/zinc/51/06/45/364510645.db2.gz IBTVLQUKYWSJOJ-VHSXEESVSA-N -1 0 283.274 2.082 50 0 CEAARM COCCOc1ccc(-c2ccc(CC(=O)[O-])cn2)cc1 ZINC000215918266 189698162 /nfs/dbraw/zinc/69/81/62/189698162.db2.gz LVYFDQSVBRMIAF-UHFFFAOYSA-N -1 0 287.315 2.401 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3c2cccc3F)C1 ZINC000263346412 304127396 /nfs/dbraw/zinc/12/73/96/304127396.db2.gz UDXQNHGGDXNKJU-IMSIIYSGSA-N -1 0 291.322 2.430 50 0 CEAARM CC(C)[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000170625470 367388385 /nfs/dbraw/zinc/38/83/85/367388385.db2.gz DKBSJJNIFRNNDR-ZDUSSCGKSA-N -1 0 274.320 2.017 50 0 CEAARM CCO[C@@H]1C[C@@](NC(=O)c2ccsc2)(C(=O)[O-])C1(C)C ZINC000193033751 369885078 /nfs/dbraw/zinc/88/50/78/369885078.db2.gz CNDOQWOCFAMLSA-QMTHXVAHSA-N -1 0 297.376 2.136 50 0 CEAARM O=c1[n-]c(S[C@@H]2CCc3ccc(F)cc32)n[nH]1 ZINC000194625423 370058338 /nfs/dbraw/zinc/05/83/38/370058338.db2.gz GLZLDYKCWVWHNO-SECBINFHSA-N -1 0 251.286 2.429 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000195541501 370138187 /nfs/dbraw/zinc/13/81/87/370138187.db2.gz NRADFMWOJMFIJW-UWVGGRQHSA-N -1 0 297.301 2.392 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Cc1ccc(C)s1)C(=O)[O-] ZINC000195541711 370138647 /nfs/dbraw/zinc/13/86/47/370138647.db2.gz HHIZEZCDMFGZBD-UFBFGSQYSA-N -1 0 269.366 2.215 50 0 CEAARM C[C@@H](CNC(=O)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000195542072 370139800 /nfs/dbraw/zinc/13/98/00/370139800.db2.gz IXIPJURHUYKYQB-NSHDSACASA-N -1 0 263.337 2.191 50 0 CEAARM Cc1nc([C@@H](C)NC(=O)C(C)(C)C)sc1C(=O)[O-] ZINC000195555620 370140885 /nfs/dbraw/zinc/14/08/85/370140885.db2.gz CJUIJXUWGOOATD-SSDOTTSWSA-N -1 0 270.354 2.373 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2cccc3cccnc32)o1 ZINC000221285382 370239892 /nfs/dbraw/zinc/23/98/92/370239892.db2.gz SRRSAGYOYZOLKP-UHFFFAOYSA-N -1 0 296.282 2.456 50 0 CEAARM C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000225430383 370294054 /nfs/dbraw/zinc/29/40/54/370294054.db2.gz QIIWXTKWATZKSM-YIYPIFLZSA-N -1 0 297.395 2.436 50 0 CEAARM CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2F)C1 ZINC000248977650 371277931 /nfs/dbraw/zinc/27/79/31/371277931.db2.gz RHYWWAIZXXPFJF-QWHCGFSZSA-N -1 0 267.300 2.062 50 0 CEAARM Cc1noc(C)c1C(=O)c1ccccc1CC(=O)[O-] ZINC000252495850 371447446 /nfs/dbraw/zinc/44/74/46/371447446.db2.gz PCUWOEIKPYDOLB-UHFFFAOYSA-N -1 0 259.261 2.150 50 0 CEAARM CO[C@]1(C)CCCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000263565192 371943476 /nfs/dbraw/zinc/94/34/76/371943476.db2.gz FHUYUESYSNUTGT-CQSZACIVSA-N -1 0 297.376 2.478 50 0 CEAARM Cc1nc2c(c(N3C[C@@H](C)C[C@H](C(=O)[O-])C3)n1)CCCC2 ZINC000263246384 371932291 /nfs/dbraw/zinc/93/22/91/371932291.db2.gz SGEZGRCOJYMGJZ-JQWIXIFHSA-N -1 0 289.379 2.211 50 0 CEAARM COc1ccc([C@H](C)CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268947111 372298312 /nfs/dbraw/zinc/29/83/12/372298312.db2.gz NNMXLIAHBPJDRU-LERXQTSPSA-N -1 0 291.347 2.026 50 0 CEAARM CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cc(F)ccc1F ZINC000268957314 372301526 /nfs/dbraw/zinc/30/15/26/372301526.db2.gz VRAPBJYYDJQPKJ-SBMIAAHKSA-N -1 0 283.274 2.253 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000268956844 372301762 /nfs/dbraw/zinc/30/17/62/372301762.db2.gz ZAZAMOHOJLMBOH-BNOWGMLFSA-N -1 0 291.322 2.252 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000238094325 189899523 /nfs/dbraw/zinc/89/95/23/189899523.db2.gz VYDMQNVCGBILFH-FYJFLYSWSA-N -1 0 285.299 2.379 50 0 CEAARM O=C([O-])[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000020353702 304184705 /nfs/dbraw/zinc/18/47/05/304184705.db2.gz ZLGAIZATGMSSMM-QMMMGPOBSA-N -1 0 274.242 2.401 50 0 CEAARM CCN(CC)C(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000249971 284529006 /nfs/dbraw/zinc/52/90/06/284529006.db2.gz FRNYPAJLMPCHQD-IINYFYTJSA-N -1 0 255.358 2.382 50 0 CEAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)n1C(F)F ZINC000426734489 377430730 /nfs/dbraw/zinc/43/07/30/377430730.db2.gz MTGPKOURBLQRSA-UHFFFAOYSA-N -1 0 286.278 2.319 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)o1 ZINC000132796958 304234086 /nfs/dbraw/zinc/23/40/86/304234086.db2.gz HSBJKGXBPKEWLU-ZJUUUORDSA-N -1 0 263.293 2.383 50 0 CEAARM O=C([O-])c1ccc(NC(=O)COc2ccccc2O)cc1 ZINC000000390962 169627869 /nfs/dbraw/zinc/62/78/69/169627869.db2.gz DPFAYRPGZLQQDL-UHFFFAOYSA-N -1 0 287.271 2.108 50 0 CEAARM Cc1cc(C)c2ccc(NC(=O)CCC(=O)[O-])nc2n1 ZINC000000394187 169628696 /nfs/dbraw/zinc/62/86/96/169628696.db2.gz DNOPPYRDIKPOLW-UHFFFAOYSA-N -1 0 273.292 2.050 50 0 CEAARM Cc1csc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000000426161 169637564 /nfs/dbraw/zinc/63/75/64/169637564.db2.gz LSHPFCFZGWIBDJ-RKDXNWHRSA-N -1 0 268.338 2.281 50 0 CEAARM CCC(=O)Nc1cc(NC(=O)CC)cc(C(=O)[O-])c1 ZINC000000469834 169648885 /nfs/dbraw/zinc/64/88/85/169648885.db2.gz DWFNEOGXOLFRRK-UHFFFAOYSA-N -1 0 264.281 2.082 50 0 CEAARM O=C([O-])c1ccc(F)c(I)c1 ZINC000002040437 304245004 /nfs/dbraw/zinc/24/50/04/304245004.db2.gz IKSOHJRYPQRTLQ-UHFFFAOYSA-N -1 0 266.009 2.129 50 0 CEAARM COCC1(NC(=O)c2ccccc2C(=O)[O-])CCCC1 ZINC000426613558 533150383 /nfs/dbraw/zinc/15/03/83/533150383.db2.gz FQXYAEZCMAVULT-UHFFFAOYSA-N -1 0 277.320 2.074 50 0 CEAARM CN(Cc1ccc2ccccc2n1)C(=O)CCCC(=O)[O-] ZINC000426433661 256860322 /nfs/dbraw/zinc/86/03/22/256860322.db2.gz NYQOYXSWPLQYJM-UHFFFAOYSA-N -1 0 286.331 2.448 50 0 CEAARM CC[C@](C)(NC(=O)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000094219580 184764789 /nfs/dbraw/zinc/76/47/89/184764789.db2.gz KFJNUFRKCHJGAH-ZDUSSCGKSA-N -1 0 287.718 2.391 50 0 CEAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3cccnc3)n2)n1 ZINC000001238809 169692732 /nfs/dbraw/zinc/69/27/32/169692732.db2.gz UIXXAXXDYYUNAQ-UHFFFAOYSA-N -1 0 267.296 2.017 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C)cc1F ZINC000094913611 184891671 /nfs/dbraw/zinc/89/16/71/184891671.db2.gz SLYWEBRVODWSAG-SNVBAGLBSA-N -1 0 267.300 2.459 50 0 CEAARM O=C([O-])c1cc(O)ccc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000001531127 169712196 /nfs/dbraw/zinc/71/21/96/169712196.db2.gz QGUMNWHANDITDB-FPYGCLRLSA-N -1 0 299.282 2.448 50 0 endogenous,in-man CEAARM O=C([O-])c1nc2ncccc2cc1Br ZINC000008435699 304283710 /nfs/dbraw/zinc/28/37/10/304283710.db2.gz FAYPMMVMEAKHFF-UHFFFAOYSA-N -1 0 253.055 2.091 50 0 CEAARM O=C([O-])c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000000215217 304284699 /nfs/dbraw/zinc/28/46/99/304284699.db2.gz IDQNQFANWGYNHH-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000238190504 131079050 /nfs/dbraw/zinc/07/90/50/131079050.db2.gz NGIJFLHIBBBGPF-BDAKNGLRSA-N -1 0 288.130 2.298 50 0 CEAARM CC(C)Oc1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262168899 131196815 /nfs/dbraw/zinc/19/68/15/131196815.db2.gz ONOUBGPYNUUTFT-MRXNPFEDSA-N -1 0 291.347 2.411 50 0 CEAARM Cc1ccc2oc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc2n1 ZINC000262674688 131249545 /nfs/dbraw/zinc/24/95/45/131249545.db2.gz QPIZMYPFUWHQEW-LLVKDONJSA-N -1 0 290.319 2.365 50 0 CEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1cncc2ccccc21 ZINC000263035415 131279523 /nfs/dbraw/zinc/27/95/23/131279523.db2.gz VGXOCSBWTBLHGY-LBPRGKRZSA-N -1 0 284.315 2.314 50 0 CEAARM Cc1cc(F)ccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000263274732 131288532 /nfs/dbraw/zinc/28/85/32/131288532.db2.gz QDGRIPCDSBPFMI-ZDUSSCGKSA-N -1 0 291.322 2.461 50 0 CEAARM CC1=C(C)C[C@@H](C(=O)NC2CCCC2)[C@H](C(=O)[O-])C1 ZINC000004651446 394456592 /nfs/dbraw/zinc/45/65/92/394456592.db2.gz HDYHOIBFUFLCSP-CHWSQXEVSA-N -1 0 265.353 2.492 50 0 CEAARM CCC1(CC)Cc2ccccc2-c2nc(NN)[nH]c(=O)c21 ZINC000013110474 394463166 /nfs/dbraw/zinc/46/31/66/394463166.db2.gz JTKNPFVJLYNBFR-UHFFFAOYSA-N -1 0 284.363 2.336 50 0 CEAARM CCOC(=O)c1c(CCC(=O)[O-])c2ccccc2n1C ZINC000013362660 394463914 /nfs/dbraw/zinc/46/39/14/394463914.db2.gz NOUUDCATOYVXHA-UHFFFAOYSA-N -1 0 275.304 2.372 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000237278578 394490941 /nfs/dbraw/zinc/49/09/41/394490941.db2.gz BUGAAOWVADKBFY-MNOVXSKESA-N -1 0 297.301 2.392 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252434216 394570876 /nfs/dbraw/zinc/57/08/76/394570876.db2.gz VBUCCXPSYCGELP-IGQOVBAYSA-N -1 0 298.427 2.112 50 0 CEAARM Cc1c(C(=O)N2CC[C@@H]2C(=O)[O-])[nH]c2c1c(C)ccc2C ZINC000095530932 394673618 /nfs/dbraw/zinc/67/36/18/394673618.db2.gz QHMDGOITZJIGTC-LLVKDONJSA-N -1 0 286.331 2.392 50 0 CEAARM 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ZINC000020614833 171268064 /nfs/dbraw/zinc/26/80/64/171268064.db2.gz MDMZWRURTMOXTA-SSDOTTSWSA-N -1 0 295.245 2.059 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccccc2Cl)CCCC1 ZINC000037329869 173131143 /nfs/dbraw/zinc/13/11/43/173131143.db2.gz BPUHYGARJPCUFT-UHFFFAOYSA-N -1 0 267.712 2.467 50 0 CEAARM CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037410435 173186979 /nfs/dbraw/zinc/18/69/79/173186979.db2.gz SCVBKTKYKFULER-WTNCMQEWSA-N -1 0 289.331 2.174 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000038025760 174010322 /nfs/dbraw/zinc/01/03/22/174010322.db2.gz JCYCPSHJBPGGSI-NWDGAFQWSA-N -1 0 251.326 2.199 50 0 CEAARM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC000038025759 174010637 /nfs/dbraw/zinc/01/06/37/174010637.db2.gz JCYCPSHJBPGGSI-RYUDHWBXSA-N -1 0 251.326 2.199 50 0 CEAARM CCOC(=O)c1cc(=O)n(-c2cccc(Cl)c2)[n-]1 ZINC000039217149 174166360 /nfs/dbraw/zinc/16/63/60/174166360.db2.gz SALVFPXODZQQBX-UHFFFAOYSA-N -1 0 266.684 2.408 50 0 CEAARM COC(c1ccccc1)(c1ccccc1)[C@@H](O)C(=O)[O-] ZINC000040443137 174263516 /nfs/dbraw/zinc/26/35/16/174263516.db2.gz RQJWOLFMWKZKCJ-AWEZNQCLSA-N -1 0 272.300 2.022 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1(C(F)(F)F)CC1 ZINC000044137600 175146080 /nfs/dbraw/zinc/14/60/80/175146080.db2.gz SHCPATAWOPVBQH-ZCFIWIBFSA-N -1 0 283.246 2.307 50 0 CEAARM Cc1nc(CC(=O)NCC2CCC(C(=O)[O-])CC2)cs1 ZINC000044900673 175274529 /nfs/dbraw/zinc/27/45/29/175274529.db2.gz QPPOVVIIUJTAQT-UHFFFAOYSA-N -1 0 296.392 2.001 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccccc1Cl ZINC000045922901 175387061 /nfs/dbraw/zinc/38/70/61/175387061.db2.gz LTOQLQOUOKOQAU-GXFFZTMASA-N -1 0 279.723 2.477 50 0 CEAARM Cc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000050921291 175520046 /nfs/dbraw/zinc/52/00/46/175520046.db2.gz OMWMVYKQGKLTLS-LBPRGKRZSA-N -1 0 276.336 2.250 50 0 CEAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CC1=CCCCC1 ZINC000655600471 415361163 /nfs/dbraw/zinc/36/11/63/415361163.db2.gz HJQJDAHZAIATKJ-AWEZNQCLSA-N -1 0 288.347 2.084 50 0 CEAARM O=C([O-])CCCCNC(=O)c1cccc(Cl)c1 ZINC000070198244 175882093 /nfs/dbraw/zinc/88/20/93/175882093.db2.gz JGKYIYWQGNNFHH-UHFFFAOYSA-N -1 0 255.701 2.325 50 0 CEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000208483495 419460194 /nfs/dbraw/zinc/46/01/94/419460194.db2.gz MLMIUDWQKYSEHY-NSZCYEILSA-N -1 0 289.331 2.492 50 0 CEAARM CC(=O)N1[C@@H](c2sccc2C)SC[C@@H]1C(=O)[O-] ZINC000022637535 278075299 /nfs/dbraw/zinc/07/52/99/278075299.db2.gz ZMHHJEIZBUKINP-PSASIEDQSA-N -1 0 271.363 2.104 50 0 CEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(Cl)cc1 ZINC000000333974 278075365 /nfs/dbraw/zinc/07/53/65/278075365.db2.gz ITFOVUAHECKYBQ-WDEREUQCSA-N -1 0 285.752 2.387 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccsc1 ZINC000095969495 279713465 /nfs/dbraw/zinc/71/34/65/279713465.db2.gz ZHIKBPRHBOSDTE-NXEZZACHSA-N -1 0 267.350 2.175 50 0 CEAARM Cc1ccc(C)c(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000147426839 280076550 /nfs/dbraw/zinc/07/65/50/280076550.db2.gz SKKXJKJMJWFWTE-UHFFFAOYSA-N -1 0 261.321 2.288 50 0 CEAARM CC(C)[C@](C)(NC(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000097036339 280515306 /nfs/dbraw/zinc/51/53/06/280515306.db2.gz JVABGXJKJPIQTM-ZDUSSCGKSA-N -1 0 289.253 2.333 50 0 CEAARM CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000100149576 281686321 /nfs/dbraw/zinc/68/63/21/281686321.db2.gz WLWQYSFAQFCNQM-OLZOCXBDSA-N -1 0 285.299 2.231 50 0 CEAARM Cn1c(C(=O)[O-])cc2c1CCN(Cc1ccc(F)cc1)C2 ZINC000169676711 294151497 /nfs/dbraw/zinc/15/14/97/294151497.db2.gz QNAFUMMKTIUVGP-UHFFFAOYSA-N -1 0 288.322 2.421 50 0 CEAARM C[C@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000004475131 298216351 /nfs/dbraw/zinc/21/63/51/298216351.db2.gz UPDOIDZVEJYGMU-RYGSOJJJSA-N -1 0 277.301 2.196 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)c1cc(-c2ccccc2)no1 ZINC000070311092 298368695 /nfs/dbraw/zinc/36/86/95/298368695.db2.gz DOFPXXBRKWRSTN-SNVBAGLBSA-N -1 0 288.303 2.325 50 0 CEAARM Cc1c(C(=O)[O-])sc2[nH]c(-c3ccco3)nc(=O)c12 ZINC000012778435 300950323 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CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)c2ccccc21 ZINC000167136387 540380681 /nfs/dbraw/zinc/38/06/81/540380681.db2.gz LVUBFUDHBLGBBX-DGCLKSJQSA-N -1 0 289.331 2.018 50 0 CEAARM Cc1cc(F)cc(C(=O)NCCCCC(=O)[O-])c1 ZINC000135181174 366405924 /nfs/dbraw/zinc/40/59/24/366405924.db2.gz GMKTYNRNQSEAST-UHFFFAOYSA-N -1 0 253.273 2.119 50 0 CEAARM CC[C@@](NC(=O)[C@H]1CC12CC2)(C(=O)[O-])c1ccccc1 ZINC000263240917 540420513 /nfs/dbraw/zinc/42/05/13/540420513.db2.gz RPYLGZOVUFRXKN-WBMJQRKESA-N -1 0 273.332 2.293 50 0 CEAARM Cc1ccccc1Cn1nnc2cc(C(=O)[O-])ccc21 ZINC000015864703 540419737 /nfs/dbraw/zinc/41/97/37/540419737.db2.gz KKTXOKKELMGYDH-UHFFFAOYSA-N -1 0 267.288 2.486 50 0 CEAARM O=C(NCC1(O)CCC1)c1c([O-])cc(Cl)cc1Cl ZINC000080031468 363639559 /nfs/dbraw/zinc/63/95/59/363639559.db2.gz CGHLOASQKRGWEN-UHFFFAOYSA-N -1 0 290.146 2.344 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccccc1Cl ZINC000045922898 304097552 /nfs/dbraw/zinc/09/75/52/304097552.db2.gz LTOQLQOUOKOQAU-MFKMUULPSA-N -1 0 279.723 2.477 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCCCCC1 ZINC000005382526 304099576 /nfs/dbraw/zinc/09/95/76/304099576.db2.gz CWSHBGQWGITKLN-NWDGAFQWSA-N -1 0 251.326 2.056 50 0 CEAARM Cc1nc(CC(C)C)sc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299740942 200852303 /nfs/dbraw/zinc/85/23/03/200852303.db2.gz CICJLOXGUONQQX-SNVBAGLBSA-N -1 0 296.392 2.339 50 0 CEAARM Cc1oc(CNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1C(=O)[O-] ZINC000299742329 200853277 /nfs/dbraw/zinc/85/32/77/200853277.db2.gz BFFCHADJUYXHIQ-ONGXEEELSA-N -1 0 295.335 2.250 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000177254 361141399 /nfs/dbraw/zinc/14/13/99/361141399.db2.gz JTNGNKFRLSZNJZ-GHMZBOCLSA-N -1 0 289.287 2.021 50 0 CEAARM CC(C)CCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000210781 361146890 /nfs/dbraw/zinc/14/68/90/361146890.db2.gz AKPWVBSRTUIHPT-UHFFFAOYSA-N -1 0 261.277 2.027 50 0 CEAARM N=c1n(CC(=O)[O-])c2ccccc2n1Cc1ccccc1 ZINC000000274829 361155516 /nfs/dbraw/zinc/15/55/16/361155516.db2.gz GIDZNHVCAQXMGZ-UHFFFAOYSA-N -1 0 281.315 2.055 50 0 CEAARM Cc1c(C)c(C)c(CNC(=O)/C=C/C(=O)[O-])c(C)c1C ZINC000000097916 361127267 /nfs/dbraw/zinc/12/72/67/361127267.db2.gz BKMVOTYYXWUCCW-VOTSOKGWSA-N -1 0 275.348 2.486 50 0 CEAARM COc1cc(S(=O)(=O)[N-]c2ncccc2C)ccc1F ZINC000000384749 361168675 /nfs/dbraw/zinc/16/86/75/361168675.db2.gz KNEOOCXLLQUPEA-UHFFFAOYSA-N -1 0 296.323 2.339 50 0 CEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000001428589 361204797 /nfs/dbraw/zinc/20/47/97/361204797.db2.gz MIJZERYUMJPCGU-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM COc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000000448747 361176121 /nfs/dbraw/zinc/17/61/21/361176121.db2.gz PPKAIFDXEVAHPC-OLZOCXBDSA-N -1 0 275.304 2.301 50 0 CEAARM CCC1C(=O)N=C(SCC(=O)c2ccccc2)N=C1[O-] ZINC000001230682 361199458 /nfs/dbraw/zinc/19/94/58/361199458.db2.gz SLUJJBHEAKDYKP-UHFFFAOYSA-N -1 0 290.344 2.013 50 0 CEAARM O=C([O-])CCC(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002734266 361246793 /nfs/dbraw/zinc/24/67/93/361246793.db2.gz PJXBXTXOZPKSCL-UHFFFAOYSA-N -1 0 283.152 2.185 50 0 CEAARM O=C([O-])CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001627113 361212851 /nfs/dbraw/zinc/21/28/51/361212851.db2.gz MYJXSDFBYVYUCD-UHFFFAOYSA-N -1 0 255.273 2.168 50 0 CEAARM O=C([O-])c1ccc(CNC(=S)NCc2ccco2)cc1 ZINC000002780420 361250343 /nfs/dbraw/zinc/25/03/43/361250343.db2.gz LQVIUQSFGAYZCC-UHFFFAOYSA-N -1 0 290.344 2.142 50 0 CEAARM Cc1cc(C)nc([N-]c2nc3c4ccccc4ncn3n2)n1 ZINC000002200779 361230427 /nfs/dbraw/zinc/23/04/27/361230427.db2.gz CPOGHDXJKSPOJK-UHFFFAOYSA-N -1 0 291.318 2.428 50 0 CEAARM Cc1cc(C)nc(SCc2n[n-]c(=S)o2)n1 ZINC000002481148 361235313 /nfs/dbraw/zinc/23/53/13/361235313.db2.gz IMUOLEDPNVPJMP-UHFFFAOYSA-N -1 0 254.340 2.057 50 0 CEAARM CC(C)(C)OC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000002526795 361237875 /nfs/dbraw/zinc/23/78/75/361237875.db2.gz COIQSXDNBXSYMY-UHFFFAOYSA-N -1 0 281.308 2.288 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](Cc1cccs1)C(=O)[O-] ZINC000002539208 361239906 /nfs/dbraw/zinc/23/99/06/361239906.db2.gz OJLISTAWQHSIHL-SECBINFHSA-N -1 0 271.338 2.269 50 0 CEAARM Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2)[n-]c1=O ZINC000004386294 361315211 /nfs/dbraw/zinc/31/52/11/361315211.db2.gz LVZIJBQDODGXHB-SECBINFHSA-N -1 0 290.348 2.005 50 0 CEAARM Cc1ccc(-c2ccc(=O)n(CCC(=O)[O-])n2)c(C)c1 ZINC000004543082 361320464 /nfs/dbraw/zinc/32/04/64/361320464.db2.gz WSWRPCCJQYYKSN-UHFFFAOYSA-N -1 0 272.304 2.002 50 0 CEAARM C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000011848435 361366638 /nfs/dbraw/zinc/36/66/38/361366638.db2.gz NNQKRQFZYFUWFB-QWRGUYRKSA-N -1 0 297.376 2.336 50 0 CEAARM C[C@]12C(=O)N(c3ccccc3C(=O)[O-])C(=O)[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000013147341 361421179 /nfs/dbraw/zinc/42/11/79/361421179.db2.gz YVSRNXBYRZALSN-ZYYNGRNUSA-N -1 0 297.310 2.086 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)CCCOc2ccccc2)C1 ZINC000013170657 361422431 /nfs/dbraw/zinc/42/24/31/361422431.db2.gz OPGIEOLEVQCSKN-ZDUSSCGKSA-N -1 0 291.347 2.169 50 0 CEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CC(C)C)cc1 ZINC000013187141 361423764 /nfs/dbraw/zinc/42/37/64/361423764.db2.gz PLTWOOGRWBHGCF-CYBMUJFWSA-N -1 0 279.336 2.373 50 0 CEAARM O=C([N-]n1cn[nH]c1=S)c1ccc(Cl)cc1F ZINC000014342671 361456956 /nfs/dbraw/zinc/45/69/56/361456956.db2.gz NGBHYBUEWCQMEB-UHFFFAOYSA-N -1 0 272.692 2.117 50 0 CEAARM Cc1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1 ZINC000018219592 361516619 /nfs/dbraw/zinc/51/66/19/361516619.db2.gz WBMDIYHWUJHSFE-UHFFFAOYSA-N -1 0 272.333 2.431 50 0 CEAARM O=C([O-])c1cc(=O)c2cccc(Br)c2[nH]1 ZINC000019475626 361536803 /nfs/dbraw/zinc/53/68/03/361536803.db2.gz QVLPEZFQNJXXMZ-UHFFFAOYSA-N -1 0 268.066 2.401 50 0 CEAARM CC(C)CCS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000019506069 361540274 /nfs/dbraw/zinc/54/02/74/361540274.db2.gz NYWXQJKLQDTPLG-UHFFFAOYSA-N -1 0 256.323 2.205 50 0 CEAARM CCn1cc([N-]S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000024577080 361611311 /nfs/dbraw/zinc/61/13/11/361611311.db2.gz GUGHOIDGKIJKDD-UHFFFAOYSA-N -1 0 265.338 2.012 50 0 CEAARM O=C([N-]OCc1ccccc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000025285795 361622013 /nfs/dbraw/zinc/62/20/13/361622013.db2.gz FJTOIJQNNLBQHY-AWEZNQCLSA-N -1 0 296.326 2.360 50 0 CEAARM Cc1nc(CNC(=O)OC(C)(C)C)sc1C(=O)[O-] ZINC000032119899 361729862 /nfs/dbraw/zinc/72/98/62/361729862.db2.gz KHJZJGDAXWBEKG-UHFFFAOYSA-N -1 0 272.326 2.174 50 0 CEAARM C[C@@H](NC(=O)C[C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC000237633718 296051642 /nfs/dbraw/zinc/05/16/42/296051642.db2.gz FLADYGKJHRLOIJ-PSASIEDQSA-N -1 0 289.253 2.312 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1cccc2cc[nH]c21 ZINC000088731334 363916242 /nfs/dbraw/zinc/91/62/42/363916242.db2.gz OVIARCNPQGRKHF-VIFPVBQESA-N -1 0 260.293 2.151 50 0 CEAARM C[C@@H](Cc1cccs1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237376822 370716329 /nfs/dbraw/zinc/71/63/29/370716329.db2.gz IWOPKPROXJTHQL-JTQLQIEISA-N -1 0 281.377 2.250 50 0 CEAARM C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237475396 370724043 /nfs/dbraw/zinc/72/40/43/370724043.db2.gz TXPPHZLZDOZPCP-TZMCWYRMSA-N -1 0 291.347 2.167 50 0 CEAARM Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000237664495 370742680 /nfs/dbraw/zinc/74/26/80/370742680.db2.gz KXHOKHQMDNRTTL-NWDGAFQWSA-N -1 0 293.388 2.483 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000237978734 370764713 /nfs/dbraw/zinc/76/47/13/370764713.db2.gz DNGAMPDKDHXAGA-GFCCVEGCSA-N -1 0 286.287 2.350 50 0 CEAARM Cc1ccc2cc(C(=O)N(CC(=O)[O-])C3CC3)[nH]c2c1 ZINC000237886721 370757231 /nfs/dbraw/zinc/75/72/31/370757231.db2.gz RHSXZBHQSZCJLH-UHFFFAOYSA-N -1 0 272.304 2.166 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2c(F)cccc2F)CCCC1 ZINC000095042988 364327594 /nfs/dbraw/zinc/32/75/94/364327594.db2.gz ZSIWLNSRLQKQBK-UHFFFAOYSA-N -1 0 283.274 2.021 50 0 CEAARM C[C@H](C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000095424732 364371279 /nfs/dbraw/zinc/37/12/79/364371279.db2.gz JTJPSRQEKXHISM-GUBZILKMSA-N -1 0 267.350 2.221 50 0 CEAARM O=C(c1c([O-])cc(F)cc1F)N(C[C@@H]1CCOC1)C1CC1 ZINC000095429587 364372231 /nfs/dbraw/zinc/37/22/31/364372231.db2.gz LFYOMZZWUNWZIA-VIFPVBQESA-N -1 0 297.301 2.312 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2sccc2C)c(C)o1 ZINC000095989280 364398323 /nfs/dbraw/zinc/39/83/23/364398323.db2.gz WYLSIKSBTDRYKW-UHFFFAOYSA-N -1 0 299.373 2.385 50 0 CEAARM COCCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357250 364345456 /nfs/dbraw/zinc/34/54/56/364345456.db2.gz BMTBNQKPJOPECD-AWEZNQCLSA-N -1 0 291.347 2.127 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000097039209 364429272 /nfs/dbraw/zinc/42/92/72/364429272.db2.gz MQTMTLXQTHCWHR-KXUCPTDWSA-N -1 0 297.301 2.438 50 0 CEAARM CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000241316713 370781777 /nfs/dbraw/zinc/78/17/77/370781777.db2.gz LUHOYQIZNBTAMM-RKDXNWHRSA-N -1 0 283.274 2.034 50 0 CEAARM Cc1ccc(F)c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000097231890 364482152 /nfs/dbraw/zinc/48/21/52/364482152.db2.gz ATJQRHRDVLPSMN-SNVBAGLBSA-N -1 0 279.311 2.459 50 0 CEAARM O=S(=O)(CCC1CC1)[N-]c1n[nH]c2cccc(F)c21 ZINC000097140262 364461404 /nfs/dbraw/zinc/46/14/04/364461404.db2.gz ZYNIAFUSZYBLAX-UHFFFAOYSA-N -1 0 283.328 2.244 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000335212098 364630477 /nfs/dbraw/zinc/63/04/77/364630477.db2.gz QQMJQIZXEVQEPD-PELKAZGASA-N -1 0 283.274 2.144 50 0 CEAARM Cc1occc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000106508850 364705959 /nfs/dbraw/zinc/70/59/59/364705959.db2.gz LVKMHZIZTOTZDO-DRZSPHRISA-N -1 0 277.320 2.446 50 0 CEAARM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245339045 370808782 /nfs/dbraw/zinc/80/87/82/370808782.db2.gz QEOURGUHEQJJAD-NDBYEHHHSA-N -1 0 287.425 2.303 50 0 CEAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1(C(=O)[O-])CCC1 ZINC000164793336 367295984 /nfs/dbraw/zinc/29/59/84/367295984.db2.gz HIRSCJICBJNEOE-SECBINFHSA-N -1 0 297.738 2.231 50 0 CEAARM C[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000170045505 367374248 /nfs/dbraw/zinc/37/42/48/367374248.db2.gz DSZSDEYAMYVQES-LURJTMIESA-N -1 0 276.119 2.125 50 0 CEAARM 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O=C([O-])[C@H]1CCCN1c1nnc(-c2ccccc2)s1 ZINC000263396420 304188703 /nfs/dbraw/zinc/18/87/03/304188703.db2.gz HSOXIHQHRSCRJF-SNVBAGLBSA-N -1 0 275.333 2.259 50 0 CEAARM CCc1cc(C(=O)N[C@H](CCSC)C(=O)[O-])cs1 ZINC000426503470 377413157 /nfs/dbraw/zinc/41/31/57/377413157.db2.gz HCTBEGOATMETET-SNVBAGLBSA-N -1 0 287.406 2.247 50 0 CEAARM Cc1ccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)s1 ZINC000299768868 379132796 /nfs/dbraw/zinc/13/27/96/379132796.db2.gz MYRCOKXNRPQDAO-UHFFFAOYSA-N -1 0 286.316 2.397 50 0 CEAARM Cc1cccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1C ZINC000268895658 190448341 /nfs/dbraw/zinc/44/83/41/190448341.db2.gz KJDHCJUEENKTOJ-WCFLWFBJSA-N -1 0 261.321 2.201 50 0 CEAARM CCS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1Cl ZINC000000169961 169562095 /nfs/dbraw/zinc/56/20/95/169562095.db2.gz VTMRWQTZIFUPPE-UHFFFAOYSA-N -1 0 283.132 2.485 50 0 CEAARM O=C([O-])c1ccccc1SC[C@H](O)C(F)(F)F ZINC000000170446 169562630 /nfs/dbraw/zinc/56/26/30/169562630.db2.gz GQKOZTHXABATEO-QMMMGPOBSA-N -1 0 266.240 2.400 50 0 CEAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1N ZINC000000184789 169567501 /nfs/dbraw/zinc/56/75/01/169567501.db2.gz UBVHMDVPSMLKAA-UHFFFAOYSA-N -1 0 286.287 2.228 50 0 CEAARM O=C([O-])c1cc2cc(Br)ccc2oc1=O ZINC000000067689 304229247 /nfs/dbraw/zinc/22/92/47/304229247.db2.gz XFQHPAXNKDYMOX-UHFFFAOYSA-N -1 0 269.050 2.254 50 0 CEAARM Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000000266769 169591996 /nfs/dbraw/zinc/59/19/96/169591996.db2.gz FCCWPBSZNPCKRM-UHFFFAOYSA-N -1 0 294.328 2.401 50 0 CEAARM Cc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)o1 ZINC000000307465 169604021 /nfs/dbraw/zinc/60/40/21/169604021.db2.gz RNEYXJARGPIERD-UHFFFAOYSA-N -1 0 259.261 2.467 50 0 CEAARM O=c1c2ccccc2[n-]c(=S)n1C[C@H]1CCCO1 ZINC000000317111 169606896 /nfs/dbraw/zinc/60/68/96/169606896.db2.gz XKGHQFJXVMZVCI-SECBINFHSA-N -1 0 262.334 2.238 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2C=CCCC2)s1 ZINC000095989951 304236924 /nfs/dbraw/zinc/23/69/24/304236924.db2.gz VWVJRPQUHYFDGY-MRVPVSSYSA-N -1 0 251.307 2.285 50 0 CEAARM CC(C)(C)OC(=O)NCCCSCCC(=O)[O-] ZINC000107831385 542374064 /nfs/dbraw/zinc/37/40/64/542374064.db2.gz HIVGKEQMXBMKOR-UHFFFAOYSA-N -1 0 263.359 2.109 50 0 CEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1OC ZINC000006658303 285169351 /nfs/dbraw/zinc/16/93/51/285169351.db2.gz GKZIJOUYZWYCFA-SMDDNHRTSA-N -1 0 277.320 2.079 50 0 CEAARM O=c1[nH]c2n[n-]c(=S)n2c2c(-c3ccccc3)c[nH]c21 ZINC000015829055 285200778 /nfs/dbraw/zinc/20/07/78/285200778.db2.gz CYCVIRJSRQDSOO-UHFFFAOYSA-N -1 0 283.316 2.228 50 0 CEAARM O=C([O-])c1ccccc1[C@@H]1CCN(c2ncccn2)C1 ZINC000072121904 304271585 /nfs/dbraw/zinc/27/15/85/304271585.db2.gz OPIBMOKSJKQHHC-LLVKDONJSA-N -1 0 269.304 2.169 50 0 CEAARM O=C(NC[C@H]1CCC[C@H]1O)c1ccc2[n-]c(=S)oc2c1 ZINC000081467170 177799984 /nfs/dbraw/zinc/79/99/84/177799984.db2.gz MJVASYWDIUODRM-MWLCHTKSSA-N -1 0 292.360 2.381 50 0 CEAARM O=C([O-])c1cnc2ncc(Br)cc2c1 ZINC000026420138 304279581 /nfs/dbraw/zinc/27/95/81/304279581.db2.gz LZDVTLHSUAKOFU-UHFFFAOYSA-N -1 0 253.055 2.091 50 0 CEAARM O=C([O-])c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F ZINC000032628323 304279814 /nfs/dbraw/zinc/27/98/14/304279814.db2.gz XIJLPUPDQMJWDQ-UHFFFAOYSA-N -1 0 292.604 2.033 50 0 CEAARM O=C([O-])C1(NC(=O)c2cccs2)CCCCC1 ZINC000000613843 169674984 /nfs/dbraw/zinc/67/49/84/169674984.db2.gz VJDBZELGARDCBX-UHFFFAOYSA-N -1 0 253.323 2.265 50 0 CEAARM CCOc1ccc(CCC(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000095424477 184977952 /nfs/dbraw/zinc/97/79/52/184977952.db2.gz HLITXGKUXGPBIB-UHFFFAOYSA-N -1 0 291.347 2.094 50 0 CEAARM C[C@H](CC(=O)N[C@H](CC(=O)[O-])C1CC1)C(C)(C)C ZINC000095424948 184979019 /nfs/dbraw/zinc/97/90/19/184979019.db2.gz NWOCJJGLQHICAG-MWLCHTKSSA-N -1 0 255.358 2.428 50 0 CEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc2c(c1)N=S=N2 ZINC000262987138 131277357 /nfs/dbraw/zinc/27/73/57/131277357.db2.gz PVYYIHBWLNQEQI-VIFPVBQESA-N -1 0 291.332 2.492 50 0 CEAARM CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])[nH]n1 ZINC000236883274 394489079 /nfs/dbraw/zinc/48/90/79/394489079.db2.gz FRABVRIFYWEZSQ-LLVKDONJSA-N -1 0 293.367 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2.002 50 0 CEAARM C[C@H](CN(C)c1nnc(Cc2ccccc2)s1)C(=O)[O-] ZINC000263542147 154121774 /nfs/dbraw/zinc/12/17/74/154121774.db2.gz DMKXAVNDNQRFQL-SNVBAGLBSA-N -1 0 291.376 2.286 50 0 CEAARM CCCCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000002024062 169768525 /nfs/dbraw/zinc/76/85/25/169768525.db2.gz YZGXDZPKXGHFSZ-UHFFFAOYSA-N -1 0 293.319 2.447 50 0 CEAARM CCCCOc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000002025587 169769027 /nfs/dbraw/zinc/76/90/27/169769027.db2.gz HZSRSGFZUCTOOA-CMDGGOBGSA-N -1 0 263.293 2.445 50 0 CEAARM CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002049223 169772318 /nfs/dbraw/zinc/77/23/18/169772318.db2.gz TXDGEONUWGOCJG-LBPRGKRZSA-N -1 0 295.335 2.181 50 0 CEAARM O=C([O-])c1ccc(OCn2cc(Cl)cn2)cc1 ZINC000002535519 169804321 /nfs/dbraw/zinc/80/43/21/169804321.db2.gz FDHDACXIEOMITO-UHFFFAOYSA-N -1 0 252.657 2.271 50 0 CEAARM O=C([O-])Cn1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000004512214 169976008 /nfs/dbraw/zinc/97/60/08/169976008.db2.gz YXMVXUIMDGXSPA-UHFFFAOYSA-N -1 0 280.283 2.148 50 0 CEAARM O=C([O-])CCCn1cc(NC(=O)c2ccc(F)cc2)cn1 ZINC000004693762 169999896 /nfs/dbraw/zinc/99/98/96/169999896.db2.gz DTGOHAXDBVLZBH-UHFFFAOYSA-N -1 0 291.282 2.139 50 0 CEAARM O=C([O-])c1ccc(NC(=O)c2cccs2)cc1O ZINC000004945041 170043476 /nfs/dbraw/zinc/04/34/76/170043476.db2.gz TZQYQWVUCVIGFP-UHFFFAOYSA-N -1 0 263.274 2.404 50 0 CEAARM COc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000005068190 170063315 /nfs/dbraw/zinc/06/33/15/170063315.db2.gz FCESSRUJLIKRKP-UHFFFAOYSA-N -1 0 276.244 2.378 50 0 CEAARM CCC1C(=O)N=C(SCc2ccc(F)cc2)N=C1[O-] ZINC000005095317 170066001 /nfs/dbraw/zinc/06/60/01/170066001.db2.gz DWWCDPNNAXZPRT-UHFFFAOYSA-N -1 0 280.324 2.469 50 0 CEAARM CCCCC[C@@H](C)NC(=O)N[C@H](CCSC)C(=O)[O-] ZINC000005267543 170081409 /nfs/dbraw/zinc/08/14/09/170081409.db2.gz NGZBHEPPESDGJS-GHMZBOCLSA-N -1 0 290.429 2.461 50 0 CEAARM Cc1ccc(Cl)cc1NC(=O)N[C@H](C)C(=O)[O-] ZINC000005427173 170098195 /nfs/dbraw/zinc/09/81/95/170098195.db2.gz PUMPPNOJDYXFLA-SSDOTTSWSA-N -1 0 256.689 2.243 50 0 CEAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccnc2)no1 ZINC000006212199 170183017 /nfs/dbraw/zinc/18/30/17/170183017.db2.gz DAYZNUUVKZHRRZ-UHFFFAOYSA-N -1 0 281.337 2.168 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000006358398 170195323 /nfs/dbraw/zinc/19/53/23/170195323.db2.gz GHVDNWJPZLJMTK-UFBFGSQYSA-N -1 0 294.307 2.036 50 0 CEAARM CCOc1cc(C=O)cc(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000006464458 170203338 /nfs/dbraw/zinc/20/33/38/170203338.db2.gz ZQKVVBDFOFCEEA-ZETCQYMHSA-N -1 0 272.684 2.403 50 0 CEAARM CN(C)C(=S)Sc1c([O-])c2ccccc2oc1=O ZINC000006520193 170208918 /nfs/dbraw/zinc/20/89/18/170208918.db2.gz BGMKQTGMBZVSDT-UHFFFAOYSA-N -1 0 281.358 2.437 50 0 CEAARM CCCNC(=O)Nc1c([O-])c2ccccc2oc1=O ZINC000006744352 170238925 /nfs/dbraw/zinc/23/89/25/170238925.db2.gz PZFDZRPRQFCCKC-UHFFFAOYSA-N -1 0 262.265 2.030 50 0 CEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1F ZINC000007052512 170264233 /nfs/dbraw/zinc/26/42/33/170264233.db2.gz SJYLZKXXASMEJR-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000012351533 170477811 /nfs/dbraw/zinc/47/78/11/170477811.db2.gz KRHZKJYHTQGZGS-LLVKDONJSA-N -1 0 281.308 2.346 50 0 CEAARM C[C@@H]1CCCN(C(=O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000013035025 170529737 /nfs/dbraw/zinc/52/97/37/170529737.db2.gz BGAVLJLUFTZMAZ-LLVKDONJSA-N -1 0 277.320 2.022 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2ccc(F)cc2)CCCCC1 ZINC000013168222 170538287 /nfs/dbraw/zinc/53/82/87/170538287.db2.gz YSJHOVQIKXHMIX-UHFFFAOYSA-N -1 0 279.311 2.272 50 0 CEAARM COc1ccc(C(=O)[O-])c(OCc2cc(C)on2)c1 ZINC000013318578 170543468 /nfs/dbraw/zinc/54/34/68/170543468.db2.gz HNQDNSUDGJVRJQ-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC1CC1 ZINC000013330396 170545417 /nfs/dbraw/zinc/54/54/17/170545417.db2.gz MLLYWZVESXERPV-UHFFFAOYSA-N -1 0 250.323 2.142 50 0 CEAARM NC(=O)c1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000020284566 171133657 /nfs/dbraw/zinc/13/36/57/171133657.db2.gz RUFZWWCBSOTUFE-SOFGYWHQSA-N -1 0 257.245 2.143 50 0 CEAARM Cc1nn(Cc2c(C)onc2C(=O)[O-])c(C)c1Cl ZINC000020315291 171146188 /nfs/dbraw/zinc/14/61/88/171146188.db2.gz FIJGRYPTHUDBCX-UHFFFAOYSA-N -1 0 269.688 2.196 50 0 CEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc(Cl)c2)n1 ZINC000020614469 171267865 /nfs/dbraw/zinc/26/78/65/171267865.db2.gz BWLKFBGSQJMRPE-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM COc1cccc(-c2nsc(C(=O)[O-])c2N)c1 ZINC000033268115 171776060 /nfs/dbraw/zinc/77/60/60/171776060.db2.gz GRNOCZRDQWBXMR-UHFFFAOYSA-N -1 0 250.279 2.099 50 0 CEAARM Cc1nn(C)c(C)c1CNc1ccc(C(=O)[O-])cc1 ZINC000036890463 172784224 /nfs/dbraw/zinc/78/42/24/172784224.db2.gz NCXBTPWNWYIUFQ-UHFFFAOYSA-N -1 0 259.309 2.347 50 0 CEAARM CCC[C@@H](C)N(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037504969 173240477 /nfs/dbraw/zinc/24/04/77/173240477.db2.gz LBZLAPJIXQRVMW-SNVBAGLBSA-N -1 0 285.365 2.194 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)c2ccsc2)c1 ZINC000037716418 173634501 /nfs/dbraw/zinc/63/45/01/173634501.db2.gz QCVKAHZTWGGFPH-UHFFFAOYSA-N -1 0 261.302 2.376 50 0 CEAARM COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000037828219 173785950 /nfs/dbraw/zinc/78/59/50/173785950.db2.gz JJXWTAMOXRIWNI-RDBSUJKOSA-N -1 0 289.331 2.079 50 0 CEAARM COCOc1cccc(C(F)(F)F)c1C(=O)[O-] ZINC000038284911 174138922 /nfs/dbraw/zinc/13/89/22/174138922.db2.gz GJJSHMIXPFYHPX-UHFFFAOYSA-N -1 0 250.172 2.386 50 0 CEAARM CC(C)CCn1nc(CNc2ccccc2)[n-]c1=O ZINC000040268102 174218453 /nfs/dbraw/zinc/21/84/53/174218453.db2.gz DDDLSJOJIWICMF-UHFFFAOYSA-N -1 0 260.341 2.230 50 0 CEAARM CCOc1ccccc1/C=C/C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117910 175663621 /nfs/dbraw/zinc/66/36/21/175663621.db2.gz RAKRAZBUVVNNJO-SBDDDAINSA-N -1 0 289.331 2.032 50 0 CEAARM O=C([O-])c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 ZINC000062715949 175673156 /nfs/dbraw/zinc/67/31/56/175673156.db2.gz HGIBXPFFWQAWQB-UHFFFAOYSA-N -1 0 279.679 2.306 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000062913409 175677352 /nfs/dbraw/zinc/67/73/52/175677352.db2.gz QWOZHXGNKLVLNP-NSHDSACASA-N -1 0 273.741 2.338 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000062912984 175677370 /nfs/dbraw/zinc/67/73/70/175677370.db2.gz RSTOMNFKDDBRBV-LLVKDONJSA-N -1 0 291.134 2.258 50 0 CEAARM Cn1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000062913817 175677809 /nfs/dbraw/zinc/67/78/09/175677809.db2.gz MQUYYGQGQFOMPG-INIZCTEOSA-N -1 0 286.331 2.115 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1ccc(OC(F)(F)F)cc1 ZINC000067323650 175773246 /nfs/dbraw/zinc/77/32/46/175773246.db2.gz GUXUNEYEOOFQBX-UHFFFAOYSA-N -1 0 287.197 2.173 50 0 CEAARM C[C@H](CN(C(=O)c1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000071731554 176256559 /nfs/dbraw/zinc/25/65/59/176256559.db2.gz PPMQKLZGHCKEKH-SECBINFHSA-N -1 0 265.284 2.151 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1F ZINC000071859388 176279418 /nfs/dbraw/zinc/27/94/18/176279418.db2.gz VZBNDBZEPVTGKH-UHFFFAOYSA-N -1 0 266.297 2.330 50 0 CEAARM CC(C)c1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000072115883 176318878 /nfs/dbraw/zinc/31/88/78/176318878.db2.gz FNAGZPDCTZFPMN-RKDXNWHRSA-N -1 0 297.380 2.491 50 0 CEAARM CN(C)c1ccncc1[N-]S(=O)(=O)c1cccs1 ZINC000078556753 177354281 /nfs/dbraw/zinc/35/42/81/177354281.db2.gz ZZIQVRWPFBRIOB-UHFFFAOYSA-N -1 0 283.378 2.010 50 0 CEAARM O=C(NCCOCC1CC1)c1ccc([O-])c(Cl)c1 ZINC000078714703 177375127 /nfs/dbraw/zinc/37/51/27/177375127.db2.gz VJCYQATUDDYABL-UHFFFAOYSA-N -1 0 269.728 2.202 50 0 CEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000040393640 270226798 /nfs/dbraw/zinc/22/67/98/270226798.db2.gz MLMIUDWQKYSEHY-NITOHGBPSA-N -1 0 289.331 2.492 50 0 CEAARM CC(C)(C)CCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000089643014 278309957 /nfs/dbraw/zinc/30/99/57/278309957.db2.gz WSHDVSFXUPTMGP-JTQLQIEISA-N -1 0 273.398 2.231 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)[O-])C1 ZINC000095743293 278397438 /nfs/dbraw/zinc/39/74/38/278397438.db2.gz JKPWYFGEQHQKIK-ZANVPECISA-N -1 0 255.314 2.108 50 0 CEAARM CC(C)C[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000170625471 279190880 /nfs/dbraw/zinc/19/08/80/279190880.db2.gz FIKJFBKIACZRMB-ZDUSSCGKSA-N -1 0 288.347 2.407 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000218455321 280210422 /nfs/dbraw/zinc/21/04/22/280210422.db2.gz RQADHPQSGCCVOD-BRLPQQTGSA-N -1 0 288.347 2.198 50 0 CEAARM CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1cc(=O)[n-]o1)=CC2 ZINC000299768357 281457707 /nfs/dbraw/zinc/45/77/07/281457707.db2.gz IUGRELKQPUHKRV-QWRGUYRKSA-N -1 0 276.336 2.493 50 0 CEAARM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000037452375 288534427 /nfs/dbraw/zinc/53/44/27/288534427.db2.gz YFSBXZZFJKPYSM-ZDUSSCGKSA-N -1 0 273.288 2.398 50 0 CEAARM C[C@@H]1CN(c2c(F)cc(C(=O)[O-])c(F)c2F)C[C@H](C)O1 ZINC000098210478 297076884 /nfs/dbraw/zinc/07/68/84/297076884.db2.gz YZNCHJJWKJWFKV-KNVOCYPGSA-N -1 0 289.253 2.416 50 0 CEAARM COc1ccc2nc(N3CCC[C@H]3C(=O)[O-])nc(C)c2c1 ZINC000299780830 295280049 /nfs/dbraw/zinc/28/00/49/295280049.db2.gz DBQQSCYWZYFNDS-ZDUSSCGKSA-N -1 0 287.319 2.000 50 0 CEAARM C[C@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000000279668 298219444 /nfs/dbraw/zinc/21/94/44/298219444.db2.gz PWXYCRJLKZLHNH-HTQZYQBOSA-N -1 0 292.360 2.228 50 0 CEAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccn(C)n2)c1C ZINC000009338433 301180786 /nfs/dbraw/zinc/18/07/86/301180786.db2.gz JWSRQYYJWWSGDC-UHFFFAOYSA-N -1 0 293.392 2.455 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)no1 ZINC000000090951 301363790 /nfs/dbraw/zinc/36/37/90/301363790.db2.gz VAPSCRDGGQHWOG-UHFFFAOYSA-N -1 0 252.295 2.092 50 0 CEAARM Cc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000049452788 301478840 /nfs/dbraw/zinc/47/88/40/301478840.db2.gz FXFCEKYCJLMLKY-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000262652459 302025818 /nfs/dbraw/zinc/02/58/18/302025818.db2.gz SEHGONIQTDFTIE-RDBSUJKOSA-N -1 0 273.332 2.379 50 0 CEAARM Cc1nc2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2s1 ZINC000044979010 302664099 /nfs/dbraw/zinc/66/40/99/302664099.db2.gz OHVLECXYJROJHZ-MRVPVSSYSA-N -1 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2.165 50 0 CEAARM COC[C@H](N[C@H](C)c1nn(C)cc1[O-])c1ccccc1 ZINC000952993075 616727446 /nfs/dbraw/zinc/72/74/46/616727446.db2.gz VPZDSNOAIUUBIV-YPMHNXCESA-N -1 0 275.352 2.164 50 0 CEAARM C[C@](NC(=O)OCCCF)(C(=O)[O-])c1ccccc1 ZINC000952880646 815075204 /nfs/dbraw/zinc/07/52/04/815075204.db2.gz WPURUHSDQRSSRO-CYBMUJFWSA-N -1 0 269.272 2.072 50 0 CEAARM CC(C)(C)OC(=O)N1CCC([C@@H]2CC[C@H](C(=O)[O-])O2)CC1 ZINC000707897450 809915077 /nfs/dbraw/zinc/91/50/77/809915077.db2.gz NFBUIHVVVXOVQE-NWDGAFQWSA-N -1 0 299.367 2.266 50 0 CEAARM Cc1n[n-]c(SCc2ccc(Cl)cc2)nc1=O ZINC000095531969 185004478 /nfs/dbraw/zinc/00/44/78/185004478.db2.gz UEUGQMVDIYFEPA-UHFFFAOYSA-N -1 0 267.741 2.419 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000095970032 185048581 /nfs/dbraw/zinc/04/85/81/185048581.db2.gz AMOBQYVEJGRMHR-WDEREUQCSA-N -1 0 281.739 2.377 50 0 CEAARM Cc1nc(CC(C)C)sc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000095970608 185048603 /nfs/dbraw/zinc/04/86/03/185048603.db2.gz 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/nfs/dbraw/zinc/36/96/08/178369608.db2.gz XZNUHWCBXKDNQE-UHFFFAOYSA-N -1 0 273.244 2.359 50 0 CEAARM CCC[C@@](C)(NC(=O)c1ccc(Cl)o1)C(=O)[O-] ZINC000036339645 361842444 /nfs/dbraw/zinc/84/24/44/361842444.db2.gz XRUSUUQVEPNGTG-LLVKDONJSA-N -1 0 259.689 2.306 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000037932252 361966709 /nfs/dbraw/zinc/96/67/09/361966709.db2.gz JFFNHLNXYKSYIS-DZGCQCFKSA-N -1 0 291.347 2.087 50 0 CEAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1C ZINC000040488302 361994323 /nfs/dbraw/zinc/99/43/23/361994323.db2.gz GMKGGDSCSFXAOA-ZFWWWQNUSA-N -1 0 291.347 2.006 50 0 CEAARM Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c(O)c1 ZINC000022205235 343379183 /nfs/dbraw/zinc/37/91/83/343379183.db2.gz ZRCYJHDWCCPUOG-UHFFFAOYSA-N -1 0 297.266 2.199 50 0 CEAARM O=c1nc(Cc2ccc3c(c2)OCO3)[n-]c2ccsc21 ZINC000048234999 362250776 /nfs/dbraw/zinc/25/07/76/362250776.db2.gz RFAPHARNLKMTAD-UHFFFAOYSA-N -1 0 286.312 2.304 50 0 CEAARM CC[NH+](CC)CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000096026918 344238888 /nfs/dbraw/zinc/23/88/88/344238888.db2.gz LMVMMLHMHVIISB-KGLIPLIRSA-N -1 0 293.363 2.288 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cccnc2)nc(C(C)C)n1 ZINC000127266459 344328799 /nfs/dbraw/zinc/32/87/99/344328799.db2.gz RLDFAQZXYDPMKP-UHFFFAOYSA-N -1 0 292.364 2.104 50 0 CEAARM Cc1ccc(CC(=O)Nc2ccccc2CC(=O)[O-])cn1 ZINC000225460115 344546177 /nfs/dbraw/zinc/54/61/77/344546177.db2.gz KFJOQJHTFYZSSH-UHFFFAOYSA-N -1 0 284.315 2.198 50 0 CEAARM Cc1oc(C(=O)[O-])cc1Cn1cc(Br)cn1 ZINC000051361322 362428769 /nfs/dbraw/zinc/42/87/69/362428769.db2.gz SZGFEAKKWQVAPU-UHFFFAOYSA-N -1 0 285.097 2.294 50 0 CEAARM CCc1c(C(=O)[O-])nnn1Cc1cc(C)ccc1C ZINC000050214252 362410934 /nfs/dbraw/zinc/41/09/34/362410934.db2.gz UIZONXBOEVHCEM-UHFFFAOYSA-N -1 0 259.309 2.204 50 0 CEAARM C/C(=C\C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1CC1 ZINC000585139614 345007727 /nfs/dbraw/zinc/00/77/27/345007727.db2.gz SGKIESOLRAPBEO-OFFHKIPUSA-N -1 0 253.342 2.206 50 0 CEAARM C/C(=C\C(=O)NCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000585139990 345007972 /nfs/dbraw/zinc/00/79/72/345007972.db2.gz XKVKWSVPACHOSK-VMPITWQZSA-N -1 0 287.237 2.310 50 0 CEAARM CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)C(=O)[O-])cc1 ZINC000054334015 362529090 /nfs/dbraw/zinc/52/90/90/362529090.db2.gz DCBUCCCOUHGVKO-GHMZBOCLSA-N -1 0 299.392 2.199 50 0 CEAARM CCO[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435630 539447292 /nfs/dbraw/zinc/44/72/92/539447292.db2.gz MKIZKJNRQDBURP-JQWIXIFHSA-N -1 0 277.320 2.017 50 0 CEAARM O=C([O-])C[C@H](CC(=O)NCc1cccnc1)c1ccccc1 ZINC000057628000 362589724 /nfs/dbraw/zinc/58/97/24/362589724.db2.gz VKJMRONOIORWQF-HNNXBMFYSA-N -1 0 298.342 2.346 50 0 CEAARM COc1ccc(Cc2nc(C(=O)[O-])cs2)c(OC)c1 ZINC000057900536 362600718 /nfs/dbraw/zinc/60/07/18/362600718.db2.gz QXTWOKOWTPIXEF-UHFFFAOYSA-N -1 0 279.317 2.449 50 0 CEAARM [O-]c1c(Br)cc(CCO)cc1Br ZINC000059244044 362646779 /nfs/dbraw/zinc/64/67/79/362646779.db2.gz WHTOEXMWXOHKGG-UHFFFAOYSA-N -1 0 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50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1cc(Cl)cs1 ZINC000238063569 370768257 /nfs/dbraw/zinc/76/82/57/370768257.db2.gz NOIAATMXKPCFOB-JTQLQIEISA-N -1 0 287.768 2.410 50 0 CEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F)C1CC1 ZINC000238079192 370769553 /nfs/dbraw/zinc/76/95/53/370769553.db2.gz VRWAXJPPXUHYIO-NWDGAFQWSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])CCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000238163731 370772545 /nfs/dbraw/zinc/77/25/45/370772545.db2.gz KHGFDIHWTBMLSE-LBPRGKRZSA-N -1 0 287.718 2.327 50 0 CEAARM COCc1nc(CC2CC2)nn1-c1ccccc1C(=O)[O-] ZINC000095383790 364353477 /nfs/dbraw/zinc/35/34/77/364353477.db2.gz ZCIXXFCDTIEGTM-UHFFFAOYSA-N -1 0 287.319 2.064 50 0 CEAARM COc1cc(C(=O)NC(C)(C)C(=O)[O-])ccc1OC(C)C ZINC000095389858 364354871 /nfs/dbraw/zinc/35/48/71/364354871.db2.gz JUGDGBVGHXRAIA-UHFFFAOYSA-N -1 0 295.335 2.075 50 0 CEAARM CCN(Cc1c(F)cccc1F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000241316710 370781523 /nfs/dbraw/zinc/78/15/23/370781523.db2.gz LUHOYQIZNBTAMM-BDAKNGLRSA-N -1 0 283.274 2.034 50 0 CEAARM Cc1cccc(CS(=O)(=O)[N-]c2nc(C)cc(C)n2)c1 ZINC000097140440 364460825 /nfs/dbraw/zinc/46/08/25/364460825.db2.gz GEZGHLRWWOMVGX-UHFFFAOYSA-N -1 0 291.376 2.344 50 0 CEAARM O=C(C=C([O-])c1ccc2c(c1)OCCO2)C(F)(F)F ZINC000100497145 364547547 /nfs/dbraw/zinc/54/75/47/364547547.db2.gz YWFUGTJMFNLIOR-UHFFFAOYSA-N -1 0 274.194 2.162 50 0 CEAARM Cc1cc2[n-]c(=S)n(Cc3ccco3)c(=O)c2[nH]1 ZINC000101333023 364556591 /nfs/dbraw/zinc/55/65/91/364556591.db2.gz KHHFPIPNMGJVPI-UHFFFAOYSA-N -1 0 261.306 2.337 50 0 CEAARM Nn1c(=O)c2sc(-c3ccc(F)cc3)cc2[n-]c1=S ZINC000103672618 364666238 /nfs/dbraw/zinc/66/62/38/364666238.db2.gz ISZAVJICRADZKJ-UHFFFAOYSA-N -1 0 293.348 2.267 50 0 CEAARM CN(Cc1ccco1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108655653 364716088 /nfs/dbraw/zinc/71/60/88/364716088.db2.gz RZJZZJMGEHEWAS-GHMZBOCLSA-N -1 0 265.309 2.129 50 0 CEAARM O=C([O-])c1ccc2c(c1)CN(Cc1ccncc1)CC2 ZINC000116933308 365080267 /nfs/dbraw/zinc/08/02/67/365080267.db2.gz LSKPVDIHZTUBAL-UHFFFAOYSA-N -1 0 268.316 2.338 50 0 CEAARM CCCC[C@H](CC(=O)[O-])NC(=O)Cc1ccccc1O ZINC000220076263 189721830 /nfs/dbraw/zinc/72/18/30/189721830.db2.gz HOFQFKFGXZVDHK-GFCCVEGCSA-N -1 0 279.336 2.084 50 0 CEAARM CN(C)c1ncccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000120993788 365508957 /nfs/dbraw/zinc/50/89/57/365508957.db2.gz GSYANWIWOJBFTA-UHFFFAOYSA-N -1 0 295.339 2.088 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CC1 ZINC000583652266 367078302 /nfs/dbraw/zinc/07/83/02/367078302.db2.gz YEPSIRZFTWYYBN-UCQJPZFISA-N -1 0 265.353 2.446 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc2O1 ZINC000013434299 304131518 /nfs/dbraw/zinc/13/15/18/304131518.db2.gz ZOELIHRATWVYLL-FZMZJTMJSA-N -1 0 287.315 2.222 50 0 CEAARM CC(C)[C@@](C)(NC(=O)c1cnc(C2CC2)s1)C(=O)[O-] ZINC000225551569 189757134 /nfs/dbraw/zinc/75/71/34/189757134.db2.gz FCPQCZSSPIEVQO-CYBMUJFWSA-N -1 0 282.365 2.250 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccoc1 ZINC000021962354 304147732 /nfs/dbraw/zinc/14/77/32/304147732.db2.gz MJPXHADCMMMCMM-USWWRNFRSA-N -1 0 263.293 2.138 50 0 CEAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccnc2)N1 ZINC000000188053 304151067 /nfs/dbraw/zinc/15/10/67/304151067.db2.gz XQRUJLXAOIVJQB-LSDHHAIUSA-N -1 0 293.326 2.251 50 0 CEAARM CNc1nccnc1-c1ccc(CCC(=O)[O-])cc1 ZINC000215218877 370174357 /nfs/dbraw/zinc/17/43/57/370174357.db2.gz MJOREKJXGOATTC-UHFFFAOYSA-N -1 0 257.293 2.203 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000195541340 370138270 /nfs/dbraw/zinc/13/82/70/370138270.db2.gz MEGIXCJSFSFWGV-SNPRPXQTSA-N -1 0 287.359 2.422 50 0 CEAARM CCc1[nH]nc([N-]S(=O)(=O)c2cccs2)c1C ZINC000195573259 370143913 /nfs/dbraw/zinc/14/39/13/370143913.db2.gz FDXSVIPGXCTLFV-UHFFFAOYSA-N -1 0 271.367 2.143 50 0 CEAARM C/C=C(\C)C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000222163460 370252005 /nfs/dbraw/zinc/25/20/05/370252005.db2.gz RBUJTWGHFTZFSQ-RUJPKEBESA-N -1 0 275.348 2.321 50 0 CEAARM CC(C)Oc1ccccc1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000236661607 370604049 /nfs/dbraw/zinc/60/40/49/370604049.db2.gz WEVOOJZDRPZNJV-ZDUSSCGKSA-N -1 0 291.347 2.092 50 0 CEAARM CC(C)[C@@H](Cc1ccccc1)C(=O)NCCC(=O)[O-] ZINC000236715170 370613881 /nfs/dbraw/zinc/61/38/81/370613881.db2.gz VQNHGMWYXFKREU-CYBMUJFWSA-N -1 0 263.337 2.092 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000262495094 371867782 /nfs/dbraw/zinc/86/77/82/371867782.db2.gz GXEKUJIJMKUIMO-DVVUODLYSA-N -1 0 281.739 2.280 50 0 CEAARM C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000262558502 371875463 /nfs/dbraw/zinc/87/54/63/371875463.db2.gz XKCMHVBPTAHKAI-ZHAHWJHGSA-N -1 0 281.739 2.280 50 0 CEAARM COCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000262217696 371838599 /nfs/dbraw/zinc/83/85/99/371838599.db2.gz YMWIIFBHANYUHU-LLVKDONJSA-N -1 0 295.335 2.286 50 0 CEAARM C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237475575 189878176 /nfs/dbraw/zinc/87/81/76/189878176.db2.gz TXPPHZLZDOZPCP-OCCSQVGLSA-N -1 0 291.347 2.167 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000237777083 189889357 /nfs/dbraw/zinc/88/93/57/189889357.db2.gz BVOONXUYVRBYQJ-HNNXBMFYSA-N -1 0 297.301 2.221 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000238074386 189898732 /nfs/dbraw/zinc/89/87/32/189898732.db2.gz YYVDXDZDGCGRRR-GBIKHYSHSA-N -1 0 295.285 2.144 50 0 CEAARM C[C@@H](SCC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000005413176 296211185 /nfs/dbraw/zinc/21/11/85/296211185.db2.gz NHFDIQULGGVZHH-XBVVOLJWSA-N -1 0 297.420 2.278 50 0 CEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000108655219 304189832 /nfs/dbraw/zinc/18/98/32/304189832.db2.gz ZYSHSHLHNPKOMK-KBPBESRZSA-N -1 0 287.359 2.462 50 0 CEAARM O=C([O-])[C@H]1CS[C@H](c2ccccc2C(F)(F)F)N1 ZINC000000138430 304202440 /nfs/dbraw/zinc/20/24/40/304202440.db2.gz SCJJREXUFWLWRG-RKDXNWHRSA-N -1 0 277.267 2.494 50 0 CEAARM Cc1cccc([C@@H](NC(=O)CSCC2CC2)C(=O)[O-])c1 ZINC000426386968 377402484 /nfs/dbraw/zinc/40/24/84/377402484.db2.gz VJFLUTRUBHDZAT-CQSZACIVSA-N -1 0 293.388 2.380 50 0 CEAARM COCCOc1ccc(-c2nc(C)[n-]c(=O)c2Cl)cc1 ZINC000426425424 377406203 /nfs/dbraw/zinc/40/62/03/377406203.db2.gz NDNUQWVPZMIRPC-UHFFFAOYSA-N -1 0 294.738 2.424 50 0 CEAARM O=C([O-])c1c(Br)cncc1Br ZINC000034529491 304216869 /nfs/dbraw/zinc/21/68/69/304216869.db2.gz LRKLXFGPVUZEDK-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000299740636 379124635 /nfs/dbraw/zinc/12/46/35/379124635.db2.gz AVSDDWYZYTZUIO-GFCCVEGCSA-N -1 0 299.330 2.014 50 0 CEAARM C[C@@H](NC(=O)C1(C)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000455881046 379260357 /nfs/dbraw/zinc/26/03/57/379260357.db2.gz GMTDUJJIILDJNB-SNVBAGLBSA-N -1 0 277.320 2.127 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056769 169520286 /nfs/dbraw/zinc/52/02/86/169520286.db2.gz WPTUQMUCTTVOFW-BONVTDFDSA-N -1 0 288.347 2.326 50 0 in-vitro CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000000083031 169530389 /nfs/dbraw/zinc/53/03/89/169530389.db2.gz SVLSMQALWUUSJF-CMDGGOBGSA-N -1 0 274.320 2.256 50 0 CEAARM C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000239038610 296309579 /nfs/dbraw/zinc/30/95/79/296309579.db2.gz DNPCQPRWUACXEW-GRYCIOLGSA-N -1 0 253.342 2.278 50 0 CEAARM C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004614345 296309606 /nfs/dbraw/zinc/30/96/06/296309606.db2.gz DNPCQPRWUACXEW-WOPDTQHZSA-N -1 0 253.342 2.278 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\C2CCCCC2)C1 ZINC000492179351 380476145 /nfs/dbraw/zinc/47/61/45/380476145.db2.gz HFFYVHPFRJTQLA-ZHRWSRJISA-N -1 0 251.326 2.056 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000000159020 169557789 /nfs/dbraw/zinc/55/77/89/169557789.db2.gz FFLPIVZNYJKKDM-LBPRGKRZSA-N -1 0 263.293 2.120 50 0 CEAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)N1CCCCC1 ZINC000000206014 169574188 /nfs/dbraw/zinc/57/41/88/169574188.db2.gz DOHORGCNGSIKDC-GHMZBOCLSA-N -1 0 271.744 2.232 50 0 CEAARM COc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000306466 169603555 /nfs/dbraw/zinc/60/35/55/169603555.db2.gz IJVLENARSSQFSI-STQMWFEESA-N -1 0 291.347 2.202 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)o1 ZINC000238002812 304235909 /nfs/dbraw/zinc/23/59/09/304235909.db2.gz XDQLKKFMESDGCG-UWVGGRQHSA-N -1 0 263.293 2.240 50 0 CEAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000036974790 299568805 /nfs/dbraw/zinc/56/88/05/299568805.db2.gz ZPMCZYSLSACREO-GWCFXTLKSA-N -1 0 295.310 2.059 50 0 CEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCc3occc32)n1 ZINC000225482654 304257511 /nfs/dbraw/zinc/25/75/11/304257511.db2.gz CUTCCEXXHMTRFA-SNVBAGLBSA-N -1 0 286.287 2.180 50 0 CEAARM Cc1ccc(C)c(OCCCCC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000095425447 184978677 /nfs/dbraw/zinc/97/86/77/184978677.db2.gz BYUHYUBMBRXAGD-CYBMUJFWSA-N -1 0 293.363 2.442 50 0 CEAARM O=C([O-])c1csc(NC(=O)CCc2ccccc2)n1 ZINC000020332413 304282313 /nfs/dbraw/zinc/28/23/13/304282313.db2.gz LZKQMTKOELMIKJ-UHFFFAOYSA-N -1 0 276.317 2.413 50 0 CEAARM O=C([O-])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000047843889 304285324 /nfs/dbraw/zinc/28/53/24/304285324.db2.gz MMTRPPUKOUWLAM-UHFFFAOYSA-N -1 0 275.161 2.123 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000211140490 130751726 /nfs/dbraw/zinc/75/17/26/130751726.db2.gz YEPIBVMHFINRLV-DAXSKMNVSA-N -1 0 271.276 2.068 50 0 CEAARM O=C([O-])C1CCN(C(=O)CCc2cccc(F)c2F)CC1 ZINC000238102483 131076733 /nfs/dbraw/zinc/07/67/33/131076733.db2.gz XAUGUZJFFDCLIY-UHFFFAOYSA-N -1 0 297.301 2.221 50 0 CEAARM Cc1ccc(N(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC000262096434 131190279 /nfs/dbraw/zinc/19/02/79/131190279.db2.gz IOXBDTPVXFDOJF-UWVGGRQHSA-N -1 0 267.712 2.332 50 0 CEAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCOC1 ZINC000262444674 131221531 /nfs/dbraw/zinc/22/15/31/131221531.db2.gz VHBRTECXVHYCJW-NSHDSACASA-N -1 0 293.319 2.147 50 0 CEAARM CC[C@@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263582503 131299795 /nfs/dbraw/zinc/29/97/95/131299795.db2.gz YTCZRSNOMTVAQH-LLVKDONJSA-N -1 0 261.321 2.186 50 0 CEAARM CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1C ZINC000002128523 394452023 /nfs/dbraw/zinc/45/20/23/394452023.db2.gz BDWJQIXBIXVUMM-TVQRCGJNSA-N -1 0 286.331 2.477 50 0 CEAARM COc1cc(C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000003649774 394453872 /nfs/dbraw/zinc/45/38/72/394453872.db2.gz DVXXJWZOTJPMPI-UHFFFAOYSA-N -1 0 252.657 2.233 50 0 CEAARM COc1cc(F)ccc1[C@H](C(=O)[O-])N(C)Cc1ccon1 ZINC000095355819 394672463 /nfs/dbraw/zinc/67/24/63/394672463.db2.gz FKOALLVTZDSTHL-CYBMUJFWSA-N -1 0 294.282 2.080 50 0 CEAARM CC1(NC(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCC1 ZINC000095989946 394674647 /nfs/dbraw/zinc/67/46/47/394674647.db2.gz PQZOOBDJVMCOOE-VMPITWQZSA-N -1 0 259.305 2.457 50 0 CEAARM Cc1n[n-]c(NCc2cccc(C(F)(F)F)c2)nc1=O ZINC000096341510 394680024 /nfs/dbraw/zinc/68/00/24/394680024.db2.gz KXYLZKWBGYVGAJ-UHFFFAOYSA-N -1 0 284.241 2.104 50 0 CEAARM Cc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000096405133 394681157 /nfs/dbraw/zinc/68/11/57/394681157.db2.gz UKOGCRHNNYWVPE-JMEBYUIHSA-N -1 0 279.361 2.393 50 0 CEAARM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000155802670 395029944 /nfs/dbraw/zinc/02/99/44/395029944.db2.gz ARPKNCZHIWAOFO-ZWNOBZJWSA-N -1 0 279.311 2.080 50 0 CEAARM CCCNc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000426715796 395078359 /nfs/dbraw/zinc/07/83/59/395078359.db2.gz AUOXHOCMDSLEMA-UHFFFAOYSA-N -1 0 276.336 2.246 50 0 CEAARM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529700726 395433087 /nfs/dbraw/zinc/43/30/87/395433087.db2.gz JPHLWDQBCCKUHD-UTINFBMNSA-N -1 0 295.408 2.010 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000169967214 400286530 /nfs/dbraw/zinc/28/65/30/400286530.db2.gz ZJVXWPBZJRVMPY-HGNGGELXSA-N -1 0 267.712 2.033 50 0 CEAARM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000262730631 153979962 /nfs/dbraw/zinc/97/99/62/153979962.db2.gz BRRQHPVYAFYJCC-SSDOTTSWSA-N -1 0 275.226 2.199 50 0 CEAARM C[C@]1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1(F)F ZINC000263095551 154019228 /nfs/dbraw/zinc/01/92/28/154019228.db2.gz CLKUATWZUWTKSN-BXKDBHETSA-N -1 0 275.295 2.135 50 0 CEAARM CC[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000263223738 154036853 /nfs/dbraw/zinc/03/68/53/154036853.db2.gz PPNHMSDSMJKRMU-STQMWFEESA-N -1 0 277.320 2.072 50 0 CEAARM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1(C)C ZINC000236968135 286464850 /nfs/dbraw/zinc/46/48/50/286464850.db2.gz YNJWPPVYVUDENO-NEPJUHHUSA-N -1 0 295.335 2.253 50 0 CEAARM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000019260965 286756290 /nfs/dbraw/zinc/75/62/90/286756290.db2.gz DYRWMRWIJLYVIT-MFKMUULPSA-N -1 0 261.321 2.071 50 0 CEAARM O=C([O-])COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002274977 169784088 /nfs/dbraw/zinc/78/40/88/169784088.db2.gz XAVICLHQMPREMA-UHFFFAOYSA-N -1 0 294.690 2.399 50 0 CEAARM CC(C)[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000002409694 169791261 /nfs/dbraw/zinc/79/12/61/169791261.db2.gz CZHANOUMLNBAFE-LBPRGKRZSA-N -1 0 298.770 2.291 50 0 CEAARM Nc1ccc(C(=O)CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002886136 169841690 /nfs/dbraw/zinc/84/16/90/169841690.db2.gz LSUQUWMAMKUYBK-UHFFFAOYSA-N -1 0 298.298 2.179 50 0 CEAARM COCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002946703 169845531 /nfs/dbraw/zinc/84/55/31/169845531.db2.gz KMPHWZNAXDTNMH-UHFFFAOYSA-N -1 0 250.323 2.096 50 0 CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NC1CCCCC1 ZINC000004657750 169994279 /nfs/dbraw/zinc/99/42/79/169994279.db2.gz FSKVRUITLQHURP-AWEZNQCLSA-N -1 0 290.363 2.314 50 0 CEAARM O=C([O-])c1cccc(-c2nnn(Cc3ccccc3)n2)c1 ZINC000004656067 169994651 /nfs/dbraw/zinc/99/46/51/169994651.db2.gz TXHXPDAASUUSMM-UHFFFAOYSA-N -1 0 280.287 2.087 50 0 CEAARM Cc1ccc2nc(Nc3nc([O-])c(C)c(=O)[nH]3)nc(C)c2c1 ZINC000004855466 170031053 /nfs/dbraw/zinc/03/10/53/170031053.db2.gz ISNQJHGCQGLYKI-UHFFFAOYSA-N -1 0 297.318 2.088 50 0 CEAARM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1cccs1 ZINC000005016401 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170628927 /nfs/dbraw/zinc/62/89/27/170628927.db2.gz OSAVMDDADOGXTR-UHFFFAOYSA-N -1 0 277.349 2.401 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC000020258943 171114090 /nfs/dbraw/zinc/11/40/90/171114090.db2.gz RCFIIDDPBKWDMZ-SSDOTTSWSA-N -1 0 257.673 2.012 50 0 CEAARM Nc1ccc(S(=O)(=O)[O-])cc1-c1nc2ccccc2o1 ZINC000035572252 172268458 /nfs/dbraw/zinc/26/84/58/172268458.db2.gz UKQIXCWPJIBNLC-UHFFFAOYSA-N -1 0 290.300 2.324 50 0 CEAARM COc1ccc(-c2ccc(C(=O)[O-])cn2)cc1OC ZINC000035630087 172311353 /nfs/dbraw/zinc/31/13/53/172311353.db2.gz HXCROKINVGYOPV-UHFFFAOYSA-N -1 0 259.261 2.464 50 0 CEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cccc(Cl)c1 ZINC000036615346 172640969 /nfs/dbraw/zinc/64/09/69/172640969.db2.gz LZMGKCGLOAHHRY-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM O=C([O-])c1c[nH]nc1-c1cccc(OC(F)F)c1 ZINC000037326765 173128125 /nfs/dbraw/zinc/12/81/25/173128125.db2.gz KLKTXWKBFAZFCZ-UHFFFAOYSA-N -1 0 254.192 2.376 50 0 CEAARM O=C([O-])c1sc2ccccc2c1Cn1cccnc1=O ZINC000037337463 173138418 /nfs/dbraw/zinc/13/84/18/173138418.db2.gz GBBVIZVBDLSPRM-UHFFFAOYSA-N -1 0 286.312 2.205 50 0 CEAARM O=C([O-])CCCNC(=O)c1csc2c1CCCC2 ZINC000037410018 173186325 /nfs/dbraw/zinc/18/63/25/173186325.db2.gz GOVPOHAILBCKIK-UHFFFAOYSA-N -1 0 267.350 2.222 50 0 CEAARM Cc1ccsc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561306 173271974 /nfs/dbraw/zinc/27/19/74/173271974.db2.gz QJVOUYHFVIRGBB-UHFFFAOYSA-N -1 0 267.350 2.430 50 0 CEAARM O=C([O-])C1(C(=O)N2CCC(OC3CCCCC3)CC2)CC1 ZINC000118954188 414780267 /nfs/dbraw/zinc/78/02/67/414780267.db2.gz ARPLGNKLMLMVRX-UHFFFAOYSA-N -1 0 295.379 2.192 50 0 CEAARM O=C([O-])c1ccccc1OCCN1CCO[C@@H]2CCC[C@@H]21 ZINC000043425985 175040827 /nfs/dbraw/zinc/04/08/27/175040827.db2.gz FOIVYHWXDRGMSK-DZGCQCFKSA-N -1 0 291.347 2.017 50 0 CEAARM Cc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000043583544 175070368 /nfs/dbraw/zinc/07/03/68/175070368.db2.gz MTYGGZOGAHZQAW-GFCCVEGCSA-N -1 0 276.336 2.107 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000043583728 175070663 /nfs/dbraw/zinc/07/06/63/175070663.db2.gz HYZDAGUJKGULOR-STQMWFEESA-N -1 0 265.353 2.446 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000043583465 175070666 /nfs/dbraw/zinc/07/06/66/175070666.db2.gz WYPFKVHYXBVXBF-SNVBAGLBSA-N -1 0 267.350 2.465 50 0 CEAARM Cc1[nH]nc2nc(-c3ccccc3O)cc(C(=O)[O-])c12 ZINC000044922241 175277119 /nfs/dbraw/zinc/27/71/19/175277119.db2.gz UQPKNZPRIANSRF-UHFFFAOYSA-N -1 0 269.260 2.337 50 0 CEAARM COc1cc(-c2cc(C(=O)[O-])c3c(C)[nH]nc3n2)ccc1O ZINC000049543389 175487081 /nfs/dbraw/zinc/48/70/81/175487081.db2.gz PYWHUGSNONZGJF-UHFFFAOYSA-N -1 0 299.286 2.346 50 0 CEAARM Cc1cccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000071731196 176255981 /nfs/dbraw/zinc/25/59/81/176255981.db2.gz GAZOKYZLTYNDEH-LLVKDONJSA-N -1 0 261.321 2.320 50 0 CEAARM COc1ccc(-c2nc(N3CCCC3)ncc2C(=O)[O-])cc1 ZINC000075876643 176810928 /nfs/dbraw/zinc/81/09/28/176810928.db2.gz CBGAQDRTBOZNLA-UHFFFAOYSA-N -1 0 299.330 2.451 50 0 CEAARM C[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1nnn[n-]1 ZINC000077459068 177271448 /nfs/dbraw/zinc/27/14/48/177271448.db2.gz ORLMINCMJNTIRG-VIFPVBQESA-N -1 0 293.758 2.053 50 0 CEAARM CCc1csc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000078556807 177354440 /nfs/dbraw/zinc/35/44/40/177354440.db2.gz NKKUJRANCDGBBF-UHFFFAOYSA-N -1 0 286.353 2.067 50 0 CEAARM CC[C@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 ZINC000000715938 287514317 /nfs/dbraw/zinc/51/43/17/287514317.db2.gz FGNPZXMPHFOOCR-SECBINFHSA-N -1 0 292.360 2.373 50 0 CEAARM C/C=C(\C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000222160854 277737164 /nfs/dbraw/zinc/73/71/64/277737164.db2.gz JQRDEKOCHMKVMY-YHCKIMSSSA-N -1 0 251.326 2.197 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000091304130 278415971 /nfs/dbraw/zinc/41/59/71/278415971.db2.gz MNUNPDQAOUQRMY-TVQRCGJNSA-N -1 0 255.314 2.108 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000095969506 279713491 /nfs/dbraw/zinc/71/34/91/279713491.db2.gz YXLSZXPUPISUEE-WDEREUQCSA-N -1 0 279.311 2.252 50 0 CEAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263452681 280087502 /nfs/dbraw/zinc/08/75/02/280087502.db2.gz SWKTWCIZUCHURI-YDHLFZDLSA-N -1 0 297.395 2.293 50 0 CEAARM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)C1(C)C ZINC000262739614 293990450 /nfs/dbraw/zinc/99/04/50/293990450.db2.gz IYGCMPBFRJKIDE-ZWKOPEQDSA-N -1 0 291.347 2.174 50 0 CEAARM C[C@@H]1CN(c2cc(F)c(C(=O)[O-])cc2F)C[C@@H](C)O1 ZINC000169801132 297077398 /nfs/dbraw/zinc/07/73/98/297077398.db2.gz IBHGMIOMYNYYGH-HTQZYQBOSA-N -1 0 271.263 2.277 50 0 CEAARM COc1ccc(-n2cnc(Cl)c2C(=O)[O-])cc1 ZINC000069949527 295051813 /nfs/dbraw/zinc/05/18/13/295051813.db2.gz UCZPOXBSLPAFQP-UHFFFAOYSA-N -1 0 252.657 2.233 50 0 CEAARM COc1ccc(=NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)[n-]n1 ZINC000330265309 295072810 /nfs/dbraw/zinc/07/28/10/295072810.db2.gz ZBWGXEACSFTFMS-UTUOFQBUSA-N -1 0 290.367 2.092 50 0 CEAARM COc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237185219 295379701 /nfs/dbraw/zinc/37/97/01/295379701.db2.gz VEMCPIOYTLSSMH-AAEUAGOBSA-N -1 0 291.347 2.264 50 0 CEAARM COc1ccccc1[C@H]1[C@@H](C(=O)[O-])CC(=O)N1C(C)C ZINC000045922829 295414847 /nfs/dbraw/zinc/41/48/47/295414847.db2.gz FWPRGBYHBWIUAX-FZMZJTMJSA-N -1 0 277.320 2.078 50 0 CEAARM C[C@H]1CN(C(=O)CCC(=O)[O-])c2cc(Cl)ccc2O1 ZINC000006751602 300123560 /nfs/dbraw/zinc/12/35/60/300123560.db2.gz XYDPPYBFJGDEEN-QMMMGPOBSA-N -1 0 283.711 2.319 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000237647154 300783849 /nfs/dbraw/zinc/78/38/49/300783849.db2.gz JFRNARRYDSXOFH-IOASZLSFSA-N -1 0 291.322 2.252 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)n(C)n1 ZINC000027934161 301363846 /nfs/dbraw/zinc/36/38/46/301363846.db2.gz GHLVCYLXKZNQJT-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM Cc1cnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000003105125 302362070 /nfs/dbraw/zinc/36/20/70/302362070.db2.gz OHKVKHXJDOPCAO-DTWKUNHWSA-N -1 0 268.338 2.281 50 0 CEAARM Cc1nn(-c2nc3ccccc3[nH]2)c2ncc(C(=O)[O-])cc12 ZINC000032627208 302727811 /nfs/dbraw/zinc/72/78/11/302727811.db2.gz SOYDZFGDZLVJAC-UHFFFAOYSA-N -1 0 293.286 2.303 50 0 CEAARM Cc1occc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000022154983 302875676 /nfs/dbraw/zinc/87/56/76/302875676.db2.gz PDSJFHVQQQQXEU-CQSZACIVSA-N -1 0 285.299 2.240 50 0 CEAARM Cc1sc2[nH]c(CCCC(=O)[O-])nc(=O)c2c1C ZINC000020594653 302881824 /nfs/dbraw/zinc/88/18/24/302881824.db2.gz PONOPDFTEXXOMN-UHFFFAOYSA-N -1 0 266.322 2.009 50 0 CEAARM CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(CCC(=O)[O-])CC1)=CC2 ZINC000534648542 328343571 /nfs/dbraw/zinc/34/35/71/328343571.db2.gz BPYQRZBLIBXQPU-GJZGRUSLSA-N -1 0 292.423 2.071 50 0 CEAARM Cc1cccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)n1 ZINC000097017942 534584348 /nfs/dbraw/zinc/58/43/48/534584348.db2.gz QNBKYXKCCBRNJD-UHFFFAOYSA-N -1 0 284.315 2.117 50 0 CEAARM Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C ZINC000062912794 526131981 /nfs/dbraw/zinc/13/19/81/526131981.db2.gz LIZCXQOQZXKDDT-HNNXBMFYSA-N -1 0 261.321 2.240 50 0 CEAARM CCC[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)n1cccc1 ZINC000426518774 528841756 /nfs/dbraw/zinc/84/17/56/528841756.db2.gz KYQAQEVUUAWUPZ-LBPRGKRZSA-N -1 0 278.352 2.343 50 0 CEAARM CCCCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000001791756 529021617 /nfs/dbraw/zinc/02/16/17/529021617.db2.gz LMCVFDCBQBJVTN-LBPRGKRZSA-N -1 0 261.321 2.467 50 0 CEAARM CC(C)c1ccoc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263058518 535377025 /nfs/dbraw/zinc/37/70/25/535377025.db2.gz XBNCILOYIIFMMB-SNVBAGLBSA-N -1 0 265.309 2.482 50 0 CEAARM Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2[O-])c[nH]1 ZINC000084068199 566877319 /nfs/dbraw/zinc/87/73/19/566877319.db2.gz LXKYNBNDODWFBU-UHFFFAOYSA-N -1 0 278.695 2.295 50 0 CEAARM CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)[nH]n1 ZINC000952963572 614301967 /nfs/dbraw/zinc/30/19/67/614301967.db2.gz VUMUMJJPBLLESW-XYPYZODXSA-N -1 0 293.367 2.154 50 0 CEAARM O=C([O-])CCSc1nccn1Cc1ccccc1 ZINC000000193114 625073173 /nfs/dbraw/zinc/07/31/73/625073173.db2.gz WGIDMFPRTUIQMC-UHFFFAOYSA-N -1 0 262.334 2.498 50 0 CEAARM CC[C@@H]1CCO[C@@H]1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000952852376 815070688 /nfs/dbraw/zinc/07/06/88/815070688.db2.gz GBMONWCAPSHDHR-RISCZKNCSA-N -1 0 277.320 2.067 50 0 CEAARM Cc1cc(N2CCC[C@@H](O)C2)nc(-c2ccccc2[O-])n1 ZINC000032598216 807458217 /nfs/dbraw/zinc/45/82/17/807458217.db2.gz COZVBZCFUPRHDG-GFCCVEGCSA-N -1 0 285.347 2.119 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Oc3cccnc3)cc2)C1 ZINC000065399186 811120576 /nfs/dbraw/zinc/12/05/76/811120576.db2.gz DPNPNCCLOQPRNA-NSHDSACASA-N -1 0 298.298 2.311 50 0 CEAARM CCC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000232913690 814268292 /nfs/dbraw/zinc/26/82/92/814268292.db2.gz AEUBNGHGSSDVFE-JTQLQIEISA-N -1 0 253.342 2.136 50 0 CEAARM CS[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000095954255 185041519 /nfs/dbraw/zinc/04/15/19/185041519.db2.gz LHDUIXJUBLLUBF-MRVPVSSYSA-N -1 0 253.323 2.383 50 0 CEAARM Cc1ccsc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961752 185044615 /nfs/dbraw/zinc/04/46/15/185044615.db2.gz FJYBTCQQFZJQPN-RKDXNWHRSA-N -1 0 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CEAARM C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252445969 371439628 /nfs/dbraw/zinc/43/96/28/371439628.db2.gz JTMMSJFQLRZDTA-AVPPRXQKSA-N -1 0 283.274 2.205 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)[O-] ZINC000252536021 371453534 /nfs/dbraw/zinc/45/35/34/371453534.db2.gz HLQXKQGHAHTZHI-QMTHXVAHSA-N -1 0 288.347 2.407 50 0 CEAARM CCc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])oc1CC ZINC000237120730 189864568 /nfs/dbraw/zinc/86/45/68/189864568.db2.gz VHSVXCWCUHJNIU-JTQLQIEISA-N -1 0 265.309 2.094 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cncc2ccccc21 ZINC000263420742 371938606 /nfs/dbraw/zinc/93/86/06/371938606.db2.gz ITEIRHWGBAOIOR-INIZCTEOSA-N -1 0 284.315 2.314 50 0 CEAARM CC[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CCO1 ZINC000263128837 371929164 /nfs/dbraw/zinc/92/91/64/371929164.db2.gz FVPILWCWTSPYEA-RKDXNWHRSA-N -1 0 283.349 2.134 50 0 CEAARM C[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000237531931 189880488 /nfs/dbraw/zinc/88/04/88/189880488.db2.gz 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CC(C)SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000162609 169559431 /nfs/dbraw/zinc/55/94/31/169559431.db2.gz CPTGMAXJYOWHPZ-UHFFFAOYSA-N -1 0 253.323 2.465 50 0 CEAARM CS(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000000207418 169574428 /nfs/dbraw/zinc/57/44/28/169574428.db2.gz OEONPCIXSFVEOU-UHFFFAOYSA-N -1 0 262.743 2.321 50 0 CEAARM O=C([O-])C[C@H](NC(=O)c1ccco1)c1ccc(F)cc1 ZINC000000278474 169595603 /nfs/dbraw/zinc/59/56/03/169595603.db2.gz VJPARMNENBJWEO-NSHDSACASA-N -1 0 277.251 2.365 50 0 CEAARM CCc1nc2ccccc2n1C(=O)CCCC(=O)[O-] ZINC000000319662 169608039 /nfs/dbraw/zinc/60/80/39/169608039.db2.gz PBPQFTVCHKZSCS-UHFFFAOYSA-N -1 0 260.293 2.494 50 0 CEAARM CN(Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000042164754 542319133 /nfs/dbraw/zinc/31/91/33/542319133.db2.gz ZJTJVXZFNFCMIQ-ZDUSSCGKSA-N -1 0 276.336 2.178 50 0 CEAARM O=C([O-])CCC(=O)Nc1nnc(-c2cccs2)s1 ZINC000000461802 169647025 /nfs/dbraw/zinc/64/70/25/169647025.db2.gz PKHPBUBPWGENBF-UHFFFAOYSA-N -1 0 283.334 2.070 50 0 CEAARM CC(=O)Nc1cccc2cccc(S(=O)(=O)[O-])c21 ZINC000071772395 184575826 /nfs/dbraw/zinc/57/58/26/184575826.db2.gz HSZZZVHTYSQLNZ-UHFFFAOYSA-N -1 0 265.290 2.045 50 0 CEAARM C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004614636 296337501 /nfs/dbraw/zinc/33/75/01/296337501.db2.gz HQGJKFJOZCPTLE-NDBYEHHHSA-N -1 0 265.353 2.348 50 0 CEAARM O=C([O-])c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000032920046 304254853 /nfs/dbraw/zinc/25/48/53/304254853.db2.gz CWJOJXUIYZQBBD-UHFFFAOYSA-N -1 0 269.304 2.442 50 0 CEAARM O=C([O-])c1ccn(COc2ccc(Br)cc2)n1 ZINC000002535525 304273014 /nfs/dbraw/zinc/27/30/14/304273014.db2.gz WAFIUYIGAYJRJS-UHFFFAOYSA-N -1 0 297.108 2.380 50 0 CEAARM CCCc1noc(CN(C)[C@@H](C(=O)[O-])c2ccsc2)n1 ZINC000095384979 184961584 /nfs/dbraw/zinc/96/15/84/184961584.db2.gz KKYDITAHIHHXBQ-GFCCVEGCSA-N -1 0 295.364 2.341 50 0 CEAARM O=C([O-])c1csc(NC(=O)Nc2ccccc2)n1 ZINC000011919916 304282171 /nfs/dbraw/zinc/28/21/71/304282171.db2.gz SDOIRUGARGJWPQ-UHFFFAOYSA-N -1 0 263.278 2.485 50 0 CEAARM O=C([O-])c1ncc(C(F)(F)F)cc1N1CCCC1 ZINC000263623920 304283762 /nfs/dbraw/zinc/28/37/62/304283762.db2.gz LVKYSJWJWCVHTA-UHFFFAOYSA-N -1 0 260.215 2.399 50 0 CEAARM COC(=O)c1cccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000000077557 292022737 /nfs/dbraw/zinc/02/27/37/292022737.db2.gz MVRAHNKBSITDJL-FWDPORAESA-N -1 0 273.288 2.012 50 0 CEAARM CCNC(=O)c1c([O-])c2ccccc2n(CC(C)C)c1=O ZINC000100741085 285580311 /nfs/dbraw/zinc/58/03/11/285580311.db2.gz TZRIFSPMMNZZPA-UHFFFAOYSA-N -1 0 288.347 2.113 50 0 CEAARM Cc1cc(=O)n(-c2c(F)c(F)c(F)c(F)c2F)[n-]1 ZINC000003895646 394453785 /nfs/dbraw/zinc/45/37/85/394453785.db2.gz YGDVYCUEBMODOS-UHFFFAOYSA-N -1 0 264.153 2.495 50 0 CEAARM COC(=O)c1cc(=O)c2ccc(C(F)(F)F)cc2[n-]1 ZINC000038537270 394498288 /nfs/dbraw/zinc/49/82/88/394498288.db2.gz HXMSYFTWUSYAPH-UHFFFAOYSA-N -1 0 271.194 2.334 50 0 CEAARM CC(C)=CC(=O)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 ZINC000091439933 394656676 /nfs/dbraw/zinc/65/66/76/394656676.db2.gz VQGCHZKYWCCIPW-HNNXBMFYSA-N -1 0 265.353 2.446 50 0 CEAARM Cn1cc(Cl)cc1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000192597141 395387747 /nfs/dbraw/zinc/38/77/47/395387747.db2.gz VZWGEWMBPIYCPH-UHFFFAOYSA-N -1 0 291.698 2.309 50 0 CEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)CO[C@H]1CCCC[C@H]1C ZINC000108118208 400267825 /nfs/dbraw/zinc/26/78/25/400267825.db2.gz XTEPQQVHOYSZNX-AGIUHOORSA-N -1 0 285.384 2.151 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1cc(F)ccc1F ZINC000111405450 400272818 /nfs/dbraw/zinc/27/28/18/400272818.db2.gz RMNLCONMLJZVSU-RYUDHWBXSA-N -1 0 297.301 2.472 50 0 CEAARM C[C@H]1C[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])CCO1 ZINC000262799374 153985433 /nfs/dbraw/zinc/98/54/33/153985433.db2.gz RHGIWGYBOPXOCT-JQWIXIFHSA-N -1 0 277.320 2.067 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C(F)(F)F ZINC000263217508 154035031 /nfs/dbraw/zinc/03/50/31/154035031.db2.gz XUZHSFUPMUOUSX-DTWKUNHWSA-N -1 0 281.274 2.288 50 0 CEAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)ccc1F ZINC000263521871 154112618 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ZINC000006649824 170222340 /nfs/dbraw/zinc/22/23/40/170222340.db2.gz QLYCJDKSUDDUPR-UHFFFAOYSA-N -1 0 294.236 2.187 50 0 CEAARM O=S(=O)([N-]c1ccccn1)c1cc(F)ccc1F ZINC000006706635 170231162 /nfs/dbraw/zinc/23/11/62/170231162.db2.gz OVWJZUZYIOQLDO-UHFFFAOYSA-N -1 0 270.260 2.161 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NCc2ccco2)[C@@H](C(=O)[O-])C1 ZINC000006741401 170237316 /nfs/dbraw/zinc/23/73/16/170237316.db2.gz DSPZSTWIRBSRTP-STQMWFEESA-N -1 0 277.320 2.343 50 0 CEAARM C[C@@H](C(=O)[O-])N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000006995499 170260995 /nfs/dbraw/zinc/26/09/95/170260995.db2.gz OCPQFLDZWUPBNV-QMMMGPOBSA-N -1 0 295.294 2.008 50 0 CEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000007708416 170298589 /nfs/dbraw/zinc/29/85/89/170298589.db2.gz DGNSDORKEDBEIR-UHFFFAOYSA-N -1 0 297.355 2.285 50 0 CEAARM Cc1nc(NCc2ccc3c(c2)OCO3)sc1C(=O)[O-] ZINC000008024774 170314516 /nfs/dbraw/zinc/31/45/16/170314516.db2.gz VTKIXBSRVQYXNB-UHFFFAOYSA-N -1 0 292.316 2.491 50 0 CEAARM COc1ccccc1-c1c(C)[n-]n2c1nc(C)cc2=O ZINC000008738912 170353626 /nfs/dbraw/zinc/35/36/26/170353626.db2.gz HJOWQNQHKQLQNW-UHFFFAOYSA-N -1 0 269.304 2.315 50 0 CEAARM CCCCOCCCNC(=O)CC(C)(C)CC(=O)[O-] ZINC000009763493 170385649 /nfs/dbraw/zinc/38/56/49/170385649.db2.gz BRMJTKCCRMUYHI-UHFFFAOYSA-N -1 0 273.373 2.200 50 0 CEAARM O=C([O-])c1ccc2c(c1)ncn2Cc1ccccn1 ZINC000021800480 171325917 /nfs/dbraw/zinc/32/59/17/171325917.db2.gz ULAAGZDFXLAGFG-UHFFFAOYSA-N -1 0 253.261 2.178 50 0 CEAARM Cc1nc(C)c(C(=O)NC2(C(=O)[O-])CCCCC2)s1 ZINC000037409911 173185821 /nfs/dbraw/zinc/18/58/21/173185821.db2.gz LVKJXSCIECHAPH-UHFFFAOYSA-N -1 0 282.365 2.277 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)CCCOc1ccccc1 ZINC000037411657 173188099 /nfs/dbraw/zinc/18/80/99/173188099.db2.gz FCTJAFJNUZOAJV-UHFFFAOYSA-N -1 0 279.336 2.169 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000037416868 173194402 /nfs/dbraw/zinc/19/44/02/173194402.db2.gz XSDCGTRSRZQGEX-QMMMGPOBSA-N -1 0 295.722 2.095 50 0 CEAARM CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037437106 173208292 /nfs/dbraw/zinc/20/82/92/173208292.db2.gz IAJRLYXXGAFXDD-LBPRGKRZSA-N -1 0 293.367 2.106 50 0 CEAARM C[C@@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000037518016 173248851 /nfs/dbraw/zinc/24/88/51/173248851.db2.gz UOZVNJNCGFRNKG-GGVZMXCHSA-N -1 0 267.712 2.238 50 0 CEAARM O=C([O-])CCNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000040287051 174220046 /nfs/dbraw/zinc/22/00/46/174220046.db2.gz JBSJZKGKMYJKNX-UHFFFAOYSA-N -1 0 284.315 2.317 50 0 CEAARM C[C@@H](O)C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000040498066 174295842 /nfs/dbraw/zinc/29/58/42/174295842.db2.gz LSJYITTUQMZXSY-HTRCEHHLSA-N -1 0 295.282 2.417 50 0 CEAARM O=C([O-])C1CCC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000402845209 414761847 /nfs/dbraw/zinc/76/18/47/414761847.db2.gz YVBPEDBROARZSZ-XPXVYLNCSA-N -1 0 277.364 2.348 50 0 CEAARM O=C([O-])c1ccc(-n2cccn2)c(Br)c1 ZINC000042684273 174837170 /nfs/dbraw/zinc/83/71/70/174837170.db2.gz FZZPEEIBUVWMIV-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000043583354 175070434 /nfs/dbraw/zinc/07/04/34/175070434.db2.gz NSADHGAPYVZJRD-LBPRGKRZSA-N -1 0 291.347 2.412 50 0 CEAARM COc1ccccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043583345 175070480 /nfs/dbraw/zinc/07/04/80/175070480.db2.gz INOVFDBSGPEVJI-GFCCVEGCSA-N -1 0 291.347 2.412 50 0 CEAARM C[C@@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000054310626 175557240 /nfs/dbraw/zinc/55/72/40/175557240.db2.gz IVCYVLRDCNDPQX-QMMMGPOBSA-N -1 0 289.253 2.085 50 0 CEAARM CC(C)Cc1nnc(SCC(=O)[O-])n1-c1cccnc1 ZINC000065404175 175730357 /nfs/dbraw/zinc/73/03/57/175730357.db2.gz BCMIBLHXSRQEPR-UHFFFAOYSA-N -1 0 292.364 2.038 50 0 CEAARM C[C@@H](C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])c1ccccc1 ZINC000659244633 415472170 /nfs/dbraw/zinc/47/21/70/415472170.db2.gz KLGBGMPJSUAHNS-RCSLCFTFSA-N -1 0 287.359 2.406 50 0 CEAARM Cc1ccc(C)c(CC(=O)NCCCCC(=O)[O-])c1 ZINC000070197024 175881435 /nfs/dbraw/zinc/88/14/35/175881435.db2.gz RMRSZJNRVIITFY-UHFFFAOYSA-N -1 0 263.337 2.217 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc2ncccc2c1 ZINC000070311229 175886986 /nfs/dbraw/zinc/88/69/86/175886986.db2.gz AERJWVQVLQMRKQ-JTQLQIEISA-N -1 0 272.304 2.218 50 0 CEAARM CN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070571543 175987109 /nfs/dbraw/zinc/98/71/09/175987109.db2.gz ZYHIHTDDGHAARV-UONOGXRCSA-N -1 0 290.363 2.471 50 0 CEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000071282216 176108823 /nfs/dbraw/zinc/10/88/23/176108823.db2.gz PNCLYMSNTBCFQY-CHWSQXEVSA-N -1 0 299.330 2.372 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000072190698 176336255 /nfs/dbraw/zinc/33/62/55/176336255.db2.gz DEHMZYGMZLWARX-NWDGAFQWSA-N -1 0 263.293 2.166 50 0 CEAARM CC(C)(CC(=O)Nc1ccc2c[nH]nc2c1)C(=O)[O-] ZINC000078880166 177399901 /nfs/dbraw/zinc/39/99/01/177399901.db2.gz RCGJEZDKFHTXJE-UHFFFAOYSA-N -1 0 261.281 2.002 50 0 CEAARM CC(=O)N1[C@@H](C)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000000850496 278074978 /nfs/dbraw/zinc/07/49/78/278074978.db2.gz OSXCHCJGSVTSSB-SDBXPKJASA-N -1 0 272.304 2.087 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(F)(F)C[C@H]2[C@@H]1C(=O)[O-] ZINC000095743249 278415702 /nfs/dbraw/zinc/41/57/02/278415702.db2.gz GISNXYAQSFKBPG-DJLDLDEBSA-N -1 0 291.294 2.352 50 0 CEAARM Cc1cc(C(=O)[N-]c2nnc(-c3cccs3)o2)on1 ZINC000011693208 278655792 /nfs/dbraw/zinc/65/57/92/278655792.db2.gz RWGAVGVFCKEZRL-UHFFFAOYSA-N -1 0 276.277 2.347 50 0 CEAARM CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)[O-] ZINC000141733092 279190563 /nfs/dbraw/zinc/19/05/63/279190563.db2.gz GEOOFCWTEFQSIY-LBPRGKRZSA-N -1 0 288.347 2.407 50 0 CEAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1C ZINC000237840773 280234446 /nfs/dbraw/zinc/23/44/46/280234446.db2.gz ZATFRSCSOMVBTN-UHFFFAOYSA-N -1 0 291.347 2.009 50 0 CEAARM CC(C)[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000004301958 280310247 /nfs/dbraw/zinc/31/02/47/280310247.db2.gz 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ZINC000098020637 627681320 /nfs/dbraw/zinc/68/13/20/627681320.db2.gz JQJWGIKJANNPCX-YWEYNIOJSA-N -1 0 282.299 2.310 50 0 CEAARM Cc1ccc(-c2cccc(CNCc3n[nH]c(=O)[n-]3)c2)o1 ZINC000952868392 815071849 /nfs/dbraw/zinc/07/18/49/815071849.db2.gz MVJLOTHSFLMIRU-UHFFFAOYSA-N -1 0 284.319 2.369 50 0 CEAARM C[C@H]1CCC[C@@H](C(=O)NCc2nc(C(=O)[O-])cs2)C1 ZINC000124347573 187133871 /nfs/dbraw/zinc/13/38/71/187133871.db2.gz XAODQOAAOZMBPY-DTWKUNHWSA-N -1 0 282.365 2.284 50 0 CEAARM Cn1nc(C(=O)[O-])cc1NC(=O)c1ccccc1Cl ZINC000082284857 177945264 /nfs/dbraw/zinc/94/52/64/177945264.db2.gz LDYUIFAMGAUKLB-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM C[C@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1F ZINC000095969504 185047567 /nfs/dbraw/zinc/04/75/67/185047567.db2.gz YXLSZXPUPISUEE-QWRGUYRKSA-N -1 0 279.311 2.252 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000095989630 185057497 /nfs/dbraw/zinc/05/74/97/185057497.db2.gz QHSRDGPOUSUIOH-VBQJREDUSA-N -1 0 287.359 2.468 50 0 CEAARM 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Cc1ccc(F)cc1C(=O)N[C@H](C)CCC(=O)[O-] ZINC000070311514 363069684 /nfs/dbraw/zinc/06/96/84/363069684.db2.gz ANPRPMSBCQBFKM-SECBINFHSA-N -1 0 253.273 2.117 50 0 CEAARM Cc1ccc(F)cc1C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000070311513 363069827 /nfs/dbraw/zinc/06/98/27/363069827.db2.gz ANPRPMSBCQBFKM-VIFPVBQESA-N -1 0 253.273 2.117 50 0 CEAARM O=C([O-])CCCCNC(=O)Cc1ccc(Cl)cc1 ZINC000070197724 363052797 /nfs/dbraw/zinc/05/27/97/363052797.db2.gz MXNXYNPMENCIDL-UHFFFAOYSA-N -1 0 269.728 2.254 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(C(F)(F)F)c1 ZINC000630173928 351648156 /nfs/dbraw/zinc/64/81/56/351648156.db2.gz DWOKXPUHGANDHC-ZETCQYMHSA-N -1 0 293.266 2.456 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)c1coc2ccccc12 ZINC000070390459 363078443 /nfs/dbraw/zinc/07/84/43/363078443.db2.gz IJYSEMZEDOWXID-UHFFFAOYSA-N -1 0 261.277 2.370 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCCCO2)c2ccccc21 ZINC000131954912 187599005 /nfs/dbraw/zinc/59/90/05/187599005.db2.gz VRTQTGGZPSFRRR-YPMHNXCESA-N -1 0 289.331 2.161 50 0 CEAARM O=C([O-])C1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000154775175 304028156 /nfs/dbraw/zinc/02/81/56/304028156.db2.gz CNSQXFBTGZCUGE-YUMQZZPRSA-N -1 0 279.258 2.089 50 0 CEAARM O=C([N-][C@H]1CCc2c1cccc2O)C(F)(F)Cl ZINC000153046466 188061485 /nfs/dbraw/zinc/06/14/85/188061485.db2.gz HZDVJMIIVGQXMX-QMMMGPOBSA-N -1 0 261.655 2.327 50 0 CEAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000271885887 191388734 /nfs/dbraw/zinc/38/87/34/191388734.db2.gz DBRRQKRIZXQHQW-BFHYXJOUSA-N -1 0 291.347 2.052 50 0 CEAARM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1F ZINC000136504855 366515321 /nfs/dbraw/zinc/51/53/21/366515321.db2.gz FIQAVBMGMPYKAE-MFKMUULPSA-N -1 0 279.311 2.395 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000013320248 304099936 /nfs/dbraw/zinc/09/99/36/304099936.db2.gz ZEKURYLVZVODDD-HUUCEWRRSA-N -1 0 285.343 2.238 50 0 CEAARM Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC000000000909 361116602 /nfs/dbraw/zinc/11/66/02/361116602.db2.gz SOYCMDCMZDHQFP-UHFFFAOYSA-N -1 0 255.273 2.127 50 0 in-man CEAARM COc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000000109879 361130872 /nfs/dbraw/zinc/13/08/72/361130872.db2.gz YTTOIDCLTQRCJL-UHFFFAOYSA-N -1 0 296.282 2.093 50 0 CEAARM Cc1c(OCC(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3 ZINC000000116722 361131497 /nfs/dbraw/zinc/13/14/97/361131497.db2.gz NLSCDENFKALNMR-UHFFFAOYSA-N -1 0 288.299 2.444 50 0 CEAARM COc1cc(C(=O)CCC(=O)[O-])c(OC)cc1C ZINC000000163119 361138202 /nfs/dbraw/zinc/13/82/02/361138202.db2.gz QLTGXWCWUPHZMQ-UHFFFAOYSA-N -1 0 252.266 2.060 50 0 CEAARM CCOc1ccccc1[C@@H]1SC[C@@H](C(=O)[O-])N1C(C)=O ZINC000000214949 361147285 /nfs/dbraw/zinc/14/72/85/361147285.db2.gz CIKHVOJUMUDRPU-AAEUAGOBSA-N -1 0 295.360 2.132 50 0 CEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000000243058 361150919 /nfs/dbraw/zinc/15/09/19/361150919.db2.gz MEFRXIIWAJLYTB-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM O=C([O-])CCCn1cc(NC(=O)c2cccs2)cn1 ZINC000001424794 361204975 /nfs/dbraw/zinc/20/49/75/361204975.db2.gz MDNDEEXHWYCNHT-UHFFFAOYSA-N -1 0 279.321 2.062 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(F)c1 ZINC000000439805 361175338 /nfs/dbraw/zinc/17/53/38/361175338.db2.gz NYBMUEVAQMGPNW-NEPJUHHUSA-N -1 0 263.268 2.431 50 0 CEAARM O=C([O-])CCCn1cc(NC(=O)c2cccc(F)c2)cn1 ZINC000001424788 361205144 /nfs/dbraw/zinc/20/51/44/361205144.db2.gz LCRONAPEQQSWKN-UHFFFAOYSA-N -1 0 291.282 2.139 50 0 CEAARM COc1ccc2c(c1)C([O-])=C[C@@](O)(C(F)(F)C(F)F)O2 ZINC000000510413 361183283 /nfs/dbraw/zinc/18/32/83/361183283.db2.gz JGSBBISTRASGMA-NSHDSACASA-N -1 0 294.200 2.249 50 0 CEAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccncc3)n2)n1 ZINC000000541547 361185898 /nfs/dbraw/zinc/18/58/98/361185898.db2.gz ZODAIVOCWYRJGT-UHFFFAOYSA-N -1 0 267.296 2.017 50 0 CEAARM Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000002740445 361247558 /nfs/dbraw/zinc/24/75/58/361247558.db2.gz FLXBWGNEEOKPCJ-QWRGUYRKSA-N -1 0 262.309 2.220 50 0 CEAARM O=C([O-])C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000001732843 361219550 /nfs/dbraw/zinc/21/95/50/361219550.db2.gz KSVXIKRRTUWDGF-STQMWFEESA-N -1 0 261.321 2.450 50 0 CEAARM COc1ccc([C@@](O)(C(=O)[O-])c2ccccc2)cc1 ZINC000002048654 361227534 /nfs/dbraw/zinc/22/75/34/361227534.db2.gz KWRLXQHDQNHPLW-OAHLLOKOSA-N -1 0 258.273 2.016 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)[O-] ZINC000002379431 361233500 /nfs/dbraw/zinc/23/35/00/361233500.db2.gz SIQSLARNSCAXSF-VIFPVBQESA-N -1 0 271.338 2.269 50 0 CEAARM CC(C)[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000002512010 361236917 /nfs/dbraw/zinc/23/69/17/361236917.db2.gz RKKWOAKMXYWOIM-LBPRGKRZSA-N -1 0 265.309 2.412 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002564498 361240968 /nfs/dbraw/zinc/24/09/68/361240968.db2.gz JSHXJPFZKBRLFU-PWSUYJOCSA-N -1 0 265.309 2.412 50 0 CEAARM O=C([O-])c1ccccc1CN1C(=O)c2ccccc2C1=O ZINC000002571425 361241371 /nfs/dbraw/zinc/24/13/71/361241371.db2.gz SFDPOSXYUSXQRN-UHFFFAOYSA-N -1 0 281.267 2.181 50 0 CEAARM O=C(c1cnn(C(=O)c2ccco2)c1)c1ccccc1[O-] ZINC000003418491 361279151 /nfs/dbraw/zinc/27/91/51/361279151.db2.gz ATEOXPIFKMYBHO-UHFFFAOYSA-N -1 0 282.255 2.101 50 0 CEAARM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000003855739 361292070 /nfs/dbraw/zinc/29/20/70/361292070.db2.gz SQVQQBOZCMYFFQ-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM Cc1[n-]n(-c2ccc3ccccc3c2)c(=O)c1C=O ZINC000002838910 361254327 /nfs/dbraw/zinc/25/43/27/361254327.db2.gz BFHATPHXZIGESG-UHFFFAOYSA-N -1 0 252.273 2.440 50 0 CEAARM CCCOc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000003155908 361264692 /nfs/dbraw/zinc/26/46/92/361264692.db2.gz MRVWHOSSKWDZJG-ZDUSSCGKSA-N -1 0 277.320 2.165 50 0 CEAARM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000003288005 361271838 /nfs/dbraw/zinc/27/18/38/361271838.db2.gz NWOOPPFGYBXGHY-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM Cc1ccc(O)c(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000004838138 361328836 /nfs/dbraw/zinc/32/88/36/361328836.db2.gz BWNQEJHPQZNBIP-UHFFFAOYSA-N -1 0 297.266 2.199 50 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CEAARM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000019260967 361522646 /nfs/dbraw/zinc/52/26/46/361522646.db2.gz DYRWMRWIJLYVIT-GWCFXTLKSA-N -1 0 261.321 2.071 50 0 CEAARM O=C([O-])CCCC(=O)Nc1nc2c(s1)CCCC2 ZINC000016902355 361497963 /nfs/dbraw/zinc/49/79/63/361497963.db2.gz CCDWFXPNWWSOCF-UHFFFAOYSA-N -1 0 268.338 2.215 50 0 CEAARM COc1ccc(C=O)cc1OCc1ccc(C(=O)[O-])o1 ZINC000019961144 361570971 /nfs/dbraw/zinc/57/09/71/361570971.db2.gz JATGRPKCQALELF-UHFFFAOYSA-N -1 0 276.244 2.378 50 0 CEAARM COc1ccccc1OCc1c(C)onc1C(=O)[O-] ZINC000024548371 361611550 /nfs/dbraw/zinc/61/15/50/361611550.db2.gz WYFKBNZBIMOSJK-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)[O-])s1 ZINC000020318165 361583468 /nfs/dbraw/zinc/58/34/68/361583468.db2.gz WHNRXUYFYVCDNG-VIFPVBQESA-N -1 0 263.322 2.053 50 0 CEAARM Nc1cc(Br)c(Cl)cc1C(=O)[O-] ZINC000022053018 361585857 /nfs/dbraw/zinc/58/58/57/361585857.db2.gz QLUCPCIKLHKGRW-UHFFFAOYSA-N -1 0 250.479 2.383 50 0 in-vitro CEAARM C[C@@H](NC(=O)COCC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000017023214 296050161 /nfs/dbraw/zinc/05/01/61/296050161.db2.gz JNRSTHJKQFABDO-LLVKDONJSA-N -1 0 293.363 2.263 50 0 CEAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nncs1 ZINC000089540340 363978082 /nfs/dbraw/zinc/97/80/82/363978082.db2.gz WXIKTXQWYKDCPX-UHFFFAOYSA-N -1 0 289.769 2.301 50 0 CEAARM C[C@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237540717 370731098 /nfs/dbraw/zinc/73/10/98/370731098.db2.gz KCQWYDACXVOHOL-ONGXEEELSA-N -1 0 297.301 2.424 50 0 CEAARM C[C@H]1CC[C@H](CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)O1 ZINC000237561656 370733650 /nfs/dbraw/zinc/73/36/50/370733650.db2.gz YEVJCLGQGMAISR-LNSITVRQSA-N -1 0 291.347 2.276 50 0 CEAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2C2CC2)cc1C(=O)[O-] ZINC000237324237 370710434 /nfs/dbraw/zinc/71/04/34/370710434.db2.gz GOHXUGCYNSTRDU-RYUDHWBXSA-N -1 0 289.331 2.056 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237455023 370722671 /nfs/dbraw/zinc/72/26/71/370722671.db2.gz 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ZINC000097050112 364433814 /nfs/dbraw/zinc/43/38/14/364433814.db2.gz AISSWBKLXUNGRR-MRVPVSSYSA-N -1 0 280.349 2.293 50 0 CEAARM Cc1cc(C)nc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000097492428 364507332 /nfs/dbraw/zinc/50/73/32/364507332.db2.gz BJZXWAYRBTWEGC-QWHCGFSZSA-N -1 0 290.363 2.158 50 0 CEAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000195541469 189677795 /nfs/dbraw/zinc/67/77/95/189677795.db2.gz YORTYARKLXXTJU-HTQZYQBOSA-N -1 0 288.130 2.298 50 0 CEAARM CCSc1nc(=O)c(/C=C\c2ccccc2)n[n-]1 ZINC000205440348 189684656 /nfs/dbraw/zinc/68/46/56/189684656.db2.gz SVLUXDOLLLSLEU-HJWRWDBZSA-N -1 0 259.334 2.447 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000269215405 304122302 /nfs/dbraw/zinc/12/23/02/304122302.db2.gz XTFQHFUUKOFOAN-KCJUWKMLSA-N -1 0 297.401 2.012 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000244795675 370800096 /nfs/dbraw/zinc/80/00/96/370800096.db2.gz RLNYEUKUKWJOGC-USZNOCQGSA-N -1 0 255.358 2.428 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000159946229 366960995 /nfs/dbraw/zinc/96/09/95/366960995.db2.gz HDMPGSBEGYNNCS-WHGOUJPWSA-N -1 0 267.712 2.238 50 0 CEAARM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccco2)cn1 ZINC000682150566 541636390 /nfs/dbraw/zinc/63/63/90/541636390.db2.gz BZSCNDOQGOSWIQ-SECBINFHSA-N -1 0 281.337 2.248 50 0 CEAARM CCC[C@](C)(NC(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000095393073 284009375 /nfs/dbraw/zinc/00/93/75/284009375.db2.gz CJTPTEVQONGDAZ-WBMJQRKESA-N -1 0 291.347 2.312 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000262428963 304139508 /nfs/dbraw/zinc/13/95/08/304139508.db2.gz RQUZOSLSQVUARR-WDEREUQCSA-N -1 0 279.723 2.166 50 0 CEAARM CCCc1cncnc1N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091678772 284113752 /nfs/dbraw/zinc/11/37/52/284113752.db2.gz RBYKRFAGSKRIKF-QWHCGFSZSA-N -1 0 277.368 2.222 50 0 CEAARM CCC[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000195551844 370141130 /nfs/dbraw/zinc/14/11/30/370141130.db2.gz 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O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1 ZINC000000142885 304181320 /nfs/dbraw/zinc/18/13/20/304181320.db2.gz NCAZRKFIGJVHLN-OLZOCXBDSA-N -1 0 261.321 2.194 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CCCc3sccc32)C1 ZINC000168245684 304183189 /nfs/dbraw/zinc/18/31/89/304183189.db2.gz IAKRWXFJAYIHKW-JQWIXIFHSA-N -1 0 293.388 2.491 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000062119145 304191893 /nfs/dbraw/zinc/19/18/93/304191893.db2.gz GRDBABNIQHUZAN-JSGCOSHPSA-N -1 0 273.332 2.040 50 0 CEAARM Cc1ccc(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])s1 ZINC000263119869 190066535 /nfs/dbraw/zinc/06/65/35/190066535.db2.gz WZAFMUDBKBXOLY-SUHUHFCYSA-N -1 0 293.388 2.311 50 0 CEAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])O1 ZINC000263579421 190069431 /nfs/dbraw/zinc/06/94/31/190069431.db2.gz URIQTDDQNYUBCB-RBZYPMLTSA-N -1 0 277.320 2.066 50 0 CEAARM CC[C@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263571946 190069834 /nfs/dbraw/zinc/06/98/34/190069834.db2.gz 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2.146 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000088832652 539030423 /nfs/dbraw/zinc/03/04/23/539030423.db2.gz BGAKGFXPQDDGKP-SECBINFHSA-N -1 0 281.274 2.432 50 0 CEAARM CCc1cc(C)c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)o1 ZINC000096494271 529524436 /nfs/dbraw/zinc/52/44/36/529524436.db2.gz KXPFYJVVHIMLCY-CQSZACIVSA-N -1 0 265.309 2.134 50 0 CEAARM COc1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000000984371 343350785 /nfs/dbraw/zinc/35/07/85/343350785.db2.gz JUOSXJVBWPVCIC-UHFFFAOYSA-N -1 0 297.266 2.194 50 0 CEAARM COc1ccc2c(c1)C(=O)N(c1ccccc1C(=O)[O-])C2=O ZINC000000984379 343350906 /nfs/dbraw/zinc/35/09/06/343350906.db2.gz AHCUJNCGLFJRCM-UHFFFAOYSA-N -1 0 297.266 2.194 50 0 CEAARM Nc1nc(-c2c([O-])c3ccccc3oc2=O)cs1 ZINC000022023079 343378625 /nfs/dbraw/zinc/37/86/25/343378625.db2.gz SCKPMNNSPZIZIF-UHFFFAOYSA-N -1 0 260.274 2.204 50 0 CEAARM O=C(N[C@H]1CCCCC[C@@H]1CO)c1cc(F)c([O-])c(F)c1 ZINC000097377216 344245199 /nfs/dbraw/zinc/24/51/99/344245199.db2.gz DODXLJAEKWHRKJ-RNCFNFMXSA-N -1 0 299.317 2.341 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H]1CCC=C(C(=O)[O-])C1 ZINC000097757501 344245857 /nfs/dbraw/zinc/24/58/57/344245857.db2.gz FGTWYUSFTOAPBY-VIFPVBQESA-N -1 0 255.314 2.322 50 0 CEAARM O=C([O-])[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@@H]21 ZINC000116295112 344285865 /nfs/dbraw/zinc/28/58/65/344285865.db2.gz YMMCIHUSZVSEMF-KXUCPTDWSA-N -1 0 253.095 2.419 50 0 CEAARM Cc1cc([C@@H](C)NC(=O)C2(C(=O)[O-])CC2)cc(C)c1F ZINC000118983849 344292919 /nfs/dbraw/zinc/29/29/19/344292919.db2.gz OEFNZVZEUQRNIS-SNVBAGLBSA-N -1 0 279.311 2.485 50 0 CEAARM C/N=C1/S[C@@H](CC(=O)[O-])C(=O)N1c1ccc(C)c(C)c1 ZINC000136643552 344385978 /nfs/dbraw/zinc/38/59/78/344385978.db2.gz CJPQZTDPVCXOBX-AKCBPTIMSA-N -1 0 292.360 2.212 50 0 CEAARM O=C([O-])/C=C\c1ccc(NC(=O)c2cscn2)cc1 ZINC000213416728 344532603 /nfs/dbraw/zinc/53/26/03/344532603.db2.gz WHCSYNKSMOKUEW-UTCJRWHESA-N -1 0 274.301 2.493 50 0 CEAARM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1C(=O)[O-] ZINC000256047275 344647006 /nfs/dbraw/zinc/64/70/06/344647006.db2.gz LOFGATBYIOGYCB-RKDXNWHRSA-N -1 0 257.330 2.210 50 0 CEAARM CC(C)(C(=O)[O-])C1CCN(C(=O)C[C@@H]2CCCCO2)CC1 ZINC000585134513 345006663 /nfs/dbraw/zinc/00/66/63/345006663.db2.gz XGIICXWHVBFMOB-ZDUSSCGKSA-N -1 0 297.395 2.295 50 0 CEAARM Cc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)c(C)n1 ZINC000055330167 362548409 /nfs/dbraw/zinc/54/84/09/362548409.db2.gz UETDIEHAUPCXPC-UHFFFAOYSA-N -1 0 284.315 2.327 50 0 CEAARM Cc1cccc(OCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1C ZINC000062118554 362708887 /nfs/dbraw/zinc/70/88/87/362708887.db2.gz GYOVYASUYIAGSW-CYBMUJFWSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])c1nnn(Cc2ccccc2)c1-c1ccncc1 ZINC000062273934 362715760 /nfs/dbraw/zinc/71/57/60/362715760.db2.gz NMASXQCMUBAFJG-UHFFFAOYSA-N -1 0 280.287 2.087 50 0 CEAARM O=C([O-])c1nnn(Cc2ccccc2F)c1-c1ccncc1 ZINC000062279580 362716054 /nfs/dbraw/zinc/71/60/54/362716054.db2.gz SGKUZANXXNDTKD-UHFFFAOYSA-N -1 0 298.277 2.226 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)on1 ZINC000098042567 185676926 /nfs/dbraw/zinc/67/69/26/185676926.db2.gz JEUVXMXEZXCMDS-DAXSKMNVSA-N -1 0 272.260 2.333 50 0 CEAARM Cn1cc(OCc2ccc(Cl)cc2)c(=O)cc1C(=O)[O-] ZINC000062715952 362721274 /nfs/dbraw/zinc/72/12/74/362721274.db2.gz HIYOKNONPMWZSV-UHFFFAOYSA-N -1 0 293.706 2.316 50 0 CEAARM Cc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000062912750 362732490 /nfs/dbraw/zinc/73/24/90/362732490.db2.gz ZMYZZMGERIMVJC-HNNXBMFYSA-N -1 0 261.321 2.240 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000062912831 362733131 /nfs/dbraw/zinc/73/31/31/362733131.db2.gz QGWVFUGRHZVPLT-AWEZNQCLSA-N -1 0 279.361 2.174 50 0 CEAARM CC[C@H](CCO)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000129384749 365852809 /nfs/dbraw/zinc/85/28/09/365852809.db2.gz IYEHQWPZTQAMOG-SECBINFHSA-N -1 0 294.376 2.255 50 0 CEAARM C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000128519721 187375379 /nfs/dbraw/zinc/37/53/79/187375379.db2.gz LOLPBVBRXUDCLE-STQMWFEESA-N -1 0 297.395 2.438 50 0 CEAARM COc1ccccc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000066248407 362858495 /nfs/dbraw/zinc/85/84/95/362858495.db2.gz CMWVFESBYWFXJL-UHFFFAOYSA-N -1 0 295.364 2.273 50 0 CEAARM CCCCc1nc(C)c(C(=O)NC(C)(C)C(=O)[O-])s1 ZINC000089954859 179892091 /nfs/dbraw/zinc/89/20/91/179892091.db2.gz YSZPYZFSBFGSCR-UHFFFAOYSA-N -1 0 284.381 2.387 50 0 CEAARM C[C@@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000000279661 295804395 /nfs/dbraw/zinc/80/43/95/295804395.db2.gz PWXYCRJLKZLHNH-YUMQZZPRSA-N -1 0 292.360 2.228 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccc(F)cc1 ZINC000091756068 180246741 /nfs/dbraw/zinc/24/67/41/180246741.db2.gz HYQMXIORMTUXHH-UONOGXRCSA-N -1 0 291.322 2.252 50 0 CEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2cccc(F)c2)C1 ZINC000108655561 186226005 /nfs/dbraw/zinc/22/60/05/186226005.db2.gz DKZHFTONOZHMRV-RYUDHWBXSA-N -1 0 279.311 2.333 50 0 CEAARM N[C@](C(=O)[O-])(c1cccc(Cl)c1)C(F)(F)F ZINC000069548768 362979361 /nfs/dbraw/zinc/97/93/61/362979361.db2.gz NFMBOQZZSHPESJ-QMMMGPOBSA-N -1 0 253.607 2.141 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1 ZINC000091449344 539806759 /nfs/dbraw/zinc/80/67/59/539806759.db2.gz FBJSBCYKUSJTNF-JTQLQIEISA-N -1 0 296.754 2.452 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000111288508 186391304 /nfs/dbraw/zinc/39/13/04/186391304.db2.gz GZCVVGAIDKBCNE-OAHLLOKOSA-N -1 0 272.304 2.105 50 0 CEAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000069675540 362990373 /nfs/dbraw/zinc/99/03/73/362990373.db2.gz WKPJAEJBNDTSMX-UHFFFAOYSA-N -1 0 294.307 2.224 50 0 CEAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000069675199 362990606 /nfs/dbraw/zinc/99/06/06/362990606.db2.gz CCVYTLWGJNTTFG-UHFFFAOYSA-N -1 0 284.287 2.469 50 0 CEAARM CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000070272280 363066779 /nfs/dbraw/zinc/06/67/79/363066779.db2.gz WUWOUZOTTGCOPK-ZYHUDNBSSA-N -1 0 267.712 2.334 50 0 CEAARM C[C@H](Oc1ccc(NC(=O)C2CCC2)cc1F)C(=O)[O-] ZINC000630258654 351672427 /nfs/dbraw/zinc/67/24/27/351672427.db2.gz FMRDZMHZNIPULO-QMMMGPOBSA-N -1 0 281.283 2.416 50 0 CEAARM CCCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000003356904 282795473 /nfs/dbraw/zinc/79/54/73/282795473.db2.gz UCVWCZARJPACAT-UKRRQHHQSA-N -1 0 291.347 2.470 50 0 CEAARM Cn1cc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000072289280 363127081 /nfs/dbraw/zinc/12/70/81/363127081.db2.gz PDGAEHWWVBUDEQ-UHFFFAOYSA-N -1 0 288.332 2.154 50 0 CEAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000135208263 187806876 /nfs/dbraw/zinc/80/68/76/187806876.db2.gz FUZYDAQIAISXRQ-SNVBAGLBSA-N -1 0 267.712 2.195 50 0 CEAARM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)o1 ZINC000329104053 202189931 /nfs/dbraw/zinc/18/99/31/202189931.db2.gz CJPXUNPRPYQJBG-UHFFFAOYSA-N -1 0 294.332 2.109 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000237989486 304062361 /nfs/dbraw/zinc/06/23/61/304062361.db2.gz WAQMRSAWJVCLDI-CHWSQXEVSA-N -1 0 295.379 2.049 50 0 CEAARM COc1ccc(CN2CCOC(C)(C)C2)cc1C(=O)[O-] ZINC000087829348 538809512 /nfs/dbraw/zinc/80/95/12/538809512.db2.gz RAPYSAFZEXWQSA-UHFFFAOYSA-N -1 0 279.336 2.004 50 0 CEAARM CCN(Cc1ccccc1)C(=O)N[C@@H](CSC)C(=O)[O-] ZINC000670452463 540415795 /nfs/dbraw/zinc/41/57/95/540415795.db2.gz JMYHUOVAELAXJV-LBPRGKRZSA-N -1 0 296.392 2.034 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000136501684 366515050 /nfs/dbraw/zinc/51/50/50/366515050.db2.gz BXDPUVZBYGWYRZ-HZSPNIEDSA-N -1 0 291.322 2.395 50 0 CEAARM Cc1nc(CCCC(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000178172335 189095101 /nfs/dbraw/zinc/09/51/01/189095101.db2.gz BARMLDWGTPMQSU-UHFFFAOYSA-N -1 0 296.392 2.097 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000178275176 189101998 /nfs/dbraw/zinc/10/19/98/189101998.db2.gz WUSXWGJNCSKKES-GFCCVEGCSA-N -1 0 284.315 2.228 50 0 CEAARM Cc1nnsc1C(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000000152157 361135867 /nfs/dbraw/zinc/13/58/67/361135867.db2.gz GPPWLWCVXDPPFD-UHFFFAOYSA-N -1 0 277.305 2.105 50 0 CEAARM O=Cc1cc(Br)c([O-])c(Br)c1O ZINC000000151794 361136253 /nfs/dbraw/zinc/13/62/53/361136253.db2.gz JEFPULPKKGELPK-UHFFFAOYSA-N -1 0 295.914 2.435 50 0 CEAARM CCOc1ccccc1[C@@H]1SC[C@H](C(=O)[O-])N1C(C)=O ZINC000000214942 361147319 /nfs/dbraw/zinc/14/73/19/361147319.db2.gz CIKHVOJUMUDRPU-YPMHNXCESA-N -1 0 295.360 2.132 50 0 CEAARM CC(=O)N1[C@H](C)c2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000000850497 361193492 /nfs/dbraw/zinc/19/34/92/361193492.db2.gz OSXCHCJGSVTSSB-OQPBUACISA-N -1 0 272.304 2.087 50 0 CEAARM Cc1ccc(NC(=O)[C@H](CC(=O)[O-])[C@H]2CCCO2)cc1 ZINC000000333464 361162449 /nfs/dbraw/zinc/16/24/49/361162449.db2.gz VSTFEWZMNNXAHJ-CHWSQXEVSA-N -1 0 277.320 2.203 50 0 CEAARM O=C([O-])c1cccc(Cn2cc(Br)cn2)c1 ZINC000000368962 361165909 /nfs/dbraw/zinc/16/59/09/361165909.db2.gz FLRLBZZSTIBJFM-UHFFFAOYSA-N -1 0 281.109 2.392 50 0 CEAARM CCn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000002739504 361247335 /nfs/dbraw/zinc/24/73/35/361247335.db2.gz XFUBESMNXFEVPE-UHFFFAOYSA-N -1 0 266.322 2.096 50 0 CEAARM O=C([O-])CCCC(=O)NCCCCc1ccccc1 ZINC000002755563 361248082 /nfs/dbraw/zinc/24/80/82/361248082.db2.gz JQNVENRYQGSGFO-UHFFFAOYSA-N -1 0 263.337 2.380 50 0 CEAARM CC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000002767244 361248775 /nfs/dbraw/zinc/24/87/75/361248775.db2.gz VLXCELORZFJXKB-ZIAGYGMSSA-N -1 0 287.315 2.495 50 0 CEAARM CCNc1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000002300482 361231111 /nfs/dbraw/zinc/23/11/11/361231111.db2.gz XWGDWQJFFZCMGQ-LLVKDONJSA-N -1 0 277.242 2.041 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)NCc1cccs1)C(=O)[O-] ZINC000002368095 361233218 /nfs/dbraw/zinc/23/32/18/361233218.db2.gz LUNDMTYNTZJKBA-SCZZXKLOSA-N -1 0 270.354 2.047 50 0 CEAARM CCCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002343579 361233581 /nfs/dbraw/zinc/23/35/81/361233581.db2.gz NEWSLBHINDSRQZ-ZDUSSCGKSA-N -1 0 278.352 2.172 50 0 CEAARM CC(C)(C)OC(=O)N=C(N)c1cccc(C(=O)[O-])c1 ZINC000002559753 361240920 /nfs/dbraw/zinc/24/09/20/361240920.db2.gz DEXHOIOEASCVLS-UHFFFAOYSA-N -1 0 264.281 2.235 50 0 CEAARM CCCCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000003671026 361287857 /nfs/dbraw/zinc/28/78/57/361287857.db2.gz NNRCIICGPROCOR-LLVKDONJSA-N -1 0 277.320 2.303 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000237044479 370683383 /nfs/dbraw/zinc/68/33/83/370683383.db2.gz DHSGQLQICDGXKW-UONOGXRCSA-N -1 0 275.348 2.422 50 0 CEAARM Cn1c2ccccc2nc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008417384 361342824 /nfs/dbraw/zinc/34/28/24/361342824.db2.gz RPPWFHKLVASLTN-QWRGUYRKSA-N -1 0 299.330 2.179 50 0 CEAARM CCO[N-]C(=O)CSc1nc2ccccc2s1 ZINC000010485897 361351702 /nfs/dbraw/zinc/35/17/02/361351702.db2.gz LBINBQHMVOHDQC-UHFFFAOYSA-N -1 0 268.363 2.456 50 0 CEAARM O=C([O-])c1cccc(Cn2nnc3ccccc32)c1 ZINC000011757367 361363076 /nfs/dbraw/zinc/36/30/76/361363076.db2.gz GQCWKBBRLPUSSE-UHFFFAOYSA-N -1 0 253.261 2.178 50 0 CEAARM CC[C@H](C)NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000012138842 361374903 /nfs/dbraw/zinc/37/49/03/361374903.db2.gz CENLXXMXHJRJKK-JTQLQIEISA-N -1 0 292.335 2.018 50 0 CEAARM O=C([O-])CCCC(=O)OCCCc1ccccc1 ZINC000012293900 361377824 /nfs/dbraw/zinc/37/78/24/361377824.db2.gz FHZZJODNIQXLLC-UHFFFAOYSA-N -1 0 250.294 2.417 50 0 CEAARM Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)[O-])cc1 ZINC000012656387 361395071 /nfs/dbraw/zinc/39/50/71/361395071.db2.gz TUWBPBMZCFQENP-LCYFTJDESA-N -1 0 271.272 2.444 50 0 CEAARM O=C([O-])c1ccc2c(c1)nnn2Cc1ccccc1 ZINC000013681563 361436955 /nfs/dbraw/zinc/43/69/55/361436955.db2.gz DYDCPTUTFGJNQT-UHFFFAOYSA-N -1 0 253.261 2.178 50 0 CEAARM CC(C)(C)OC(=O)NCc1cccc(CC(=O)[O-])c1 ZINC000014632613 361458522 /nfs/dbraw/zinc/45/85/22/361458522.db2.gz KMXLLJZRUTZTMA-UHFFFAOYSA-N -1 0 265.309 2.338 50 0 CEAARM O=C([O-])CC1(NC(=O)Cc2cccc(O)c2)CCCCC1 ZINC000084146506 363799264 /nfs/dbraw/zinc/79/92/64/363799264.db2.gz CYPTXSGRAUFDNH-UHFFFAOYSA-N -1 0 291.347 2.229 50 0 CEAARM O=C([O-])CCSc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000016975843 361501286 /nfs/dbraw/zinc/50/12/86/361501286.db2.gz GEGGVBMHGZHCAE-UHFFFAOYSA-N -1 0 276.317 2.416 50 0 CEAARM [O-]C(=C[C@]1(C(F)(F)F)NCCO1)c1cccs1 ZINC000019940184 361568884 /nfs/dbraw/zinc/56/88/84/361568884.db2.gz VGYNRMJLVBQRKP-VIFPVBQESA-N -1 0 265.256 2.199 50 0 CEAARM CCn1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000024577021 361611747 /nfs/dbraw/zinc/61/17/47/361611747.db2.gz YPHKEZOSSXNSTL-UHFFFAOYSA-N -1 0 285.756 2.357 50 0 CEAARM Cc1sc(=O)n(CC(=O)[O-])c1-c1ccc(F)cc1 ZINC000021948725 361585008 /nfs/dbraw/zinc/58/50/08/361585008.db2.gz MHXPSNXFUDNDPF-UHFFFAOYSA-N -1 0 267.281 2.109 50 0 CEAARM O=C([O-])c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC000026423424 361640225 /nfs/dbraw/zinc/64/02/25/361640225.db2.gz SXYSVRFJFOVLDV-UHFFFAOYSA-N -1 0 264.208 2.056 50 0 CEAARM Cc1nonc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000028248943 361671091 /nfs/dbraw/zinc/67/10/91/361671091.db2.gz DNIAFRHHIPGDCV-UHFFFAOYSA-N -1 0 289.316 2.332 50 0 CEAARM Cc1ccc2c(C[P@@](=O)([O-])O)cc(=O)oc2c1C ZINC000032124401 361730261 /nfs/dbraw/zinc/73/02/61/361730261.db2.gz WQRNXZXLAVAMBB-UHFFFAOYSA-N -1 0 268.205 2.088 50 0 CEAARM CSCCC(=O)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 ZINC000092062031 364074841 /nfs/dbraw/zinc/07/48/41/364074841.db2.gz ARDMDBRQVCYJHT-AWEZNQCLSA-N -1 0 285.409 2.233 50 0 CEAARM CCC[C@H](NC(=O)c1ccc(C)cc1C)c1nnn[n-]1 ZINC000089949667 364022499 /nfs/dbraw/zinc/02/24/99/364022499.db2.gz VCFYOQGYNMUYDP-LBPRGKRZSA-N -1 0 273.340 2.088 50 0 CEAARM COc1ccc([C@H](C)CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237235835 370704573 /nfs/dbraw/zinc/70/45/73/370704573.db2.gz GVLGPPPLWDRPBC-DGCLKSJQSA-N -1 0 291.347 2.122 50 0 CEAARM C[C@@H]1CC[C@H](CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)O1 ZINC000237386585 370717336 /nfs/dbraw/zinc/71/73/36/370717336.db2.gz YEVJCLGQGMAISR-UXIGCNINSA-N -1 0 291.347 2.276 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 ZINC000237948172 370761911 /nfs/dbraw/zinc/76/19/11/370761911.db2.gz KIIKYEKRTLBVCH-SNVBAGLBSA-N -1 0 297.738 2.042 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1Cl ZINC000000193741 304113758 /nfs/dbraw/zinc/11/37/58/304113758.db2.gz CVMZADJYCGKILL-JTQLQIEISA-N 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ZINC000330633665 203062550 /nfs/dbraw/zinc/06/25/50/203062550.db2.gz KJWZQBQECZNDSU-UHFFFAOYSA-N -1 0 272.352 2.270 50 0 CEAARM CC[C@@H](NC(=O)c1nc(C)oc1-c1ccccc1)C(=O)[O-] ZINC000190913074 369660739 /nfs/dbraw/zinc/66/07/39/369660739.db2.gz MTVLHCLZXLGJQS-LLVKDONJSA-N -1 0 288.303 2.243 50 0 CEAARM COC(C)(C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191446672 369713470 /nfs/dbraw/zinc/71/34/70/369713470.db2.gz VPKFVDYWMWZTLA-JTQLQIEISA-N -1 0 279.336 2.313 50 0 CEAARM O=C([N-]S(=O)(=O)C1CCCCC1)c1ccoc1Cl ZINC000192563489 369829253 /nfs/dbraw/zinc/82/92/53/369829253.db2.gz XTVGXEUXPPWEOM-UHFFFAOYSA-N -1 0 291.756 2.325 50 0 CEAARM CC/C=C(\C)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000211761149 370162895 /nfs/dbraw/zinc/16/28/95/370162895.db2.gz SIXIEHUVXACYFM-GJKHTVIGSA-N -1 0 253.342 2.492 50 0 CEAARM CN(CCC(=O)[O-])C(=O)C1(c2cccc(F)c2)CCC1 ZINC000225460968 370296812 /nfs/dbraw/zinc/29/68/12/370296812.db2.gz ZGFMCDZAHASOMY-UHFFFAOYSA-N -1 0 279.311 2.181 50 0 CEAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1cc2ccccc2o1 ZINC000072463397 304162390 /nfs/dbraw/zinc/16/23/90/304162390.db2.gz ANDMIBPRKRRSGX-HNNXBMFYSA-N -1 0 297.314 2.340 50 0 CEAARM Cc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1F ZINC000237373173 189873711 /nfs/dbraw/zinc/87/37/11/189873711.db2.gz LEJWOQHMDMHNDX-SNVBAGLBSA-N -1 0 279.311 2.459 50 0 CEAARM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000237540894 189880706 /nfs/dbraw/zinc/88/07/06/189880706.db2.gz BQDOSHIMJGYUHK-ZYHUDNBSSA-N -1 0 279.311 2.252 50 0 CEAARM CC(C)(NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000268945681 372297904 /nfs/dbraw/zinc/29/79/04/372297904.db2.gz MOFNCGPNUNVRKM-BDAKNGLRSA-N -1 0 283.274 2.037 50 0 CEAARM C[C@H](CN(C)C(=O)[C@H]1SCCc2sccc21)C(=O)[O-] ZINC000237565385 189881614 /nfs/dbraw/zinc/88/16/14/189881614.db2.gz OKQSVBVVWOCOTR-KCJUWKMLSA-N -1 0 299.417 2.258 50 0 CEAARM C[C@H](Cc1cccs1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237572597 189882631 /nfs/dbraw/zinc/88/26/31/189882631.db2.gz KUTCAJHVIHCQBX-QMTHXVAHSA-N -1 0 281.377 2.250 50 0 CEAARM Cc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000237692618 189887651 /nfs/dbraw/zinc/88/76/51/189887651.db2.gz SNAXWVTWQCPUMU-LLVKDONJSA-N -1 0 281.377 2.312 50 0 CEAARM O=C([O-])[C@H](c1csc2ccccc21)N1CCOCC1 ZINC000054465719 304174211 /nfs/dbraw/zinc/17/42/11/304174211.db2.gz NGXVSBFUQYQQTC-ZDUSSCGKSA-N -1 0 277.345 2.359 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC000020250386 304176894 /nfs/dbraw/zinc/17/68/94/304176894.db2.gz QVDQYMOWVPEDEL-GFCCVEGCSA-N -1 0 253.342 2.423 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000019843569 304178464 /nfs/dbraw/zinc/17/84/64/304178464.db2.gz UOZYGXLSJHWDOC-CYBMUJFWSA-N -1 0 272.304 2.247 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1Cl ZINC000012020285 304179252 /nfs/dbraw/zinc/17/92/52/304179252.db2.gz LPSBEDPQSJERBV-LLVKDONJSA-N -1 0 267.712 2.419 50 0 CEAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)cs1 ZINC000381131773 375169388 /nfs/dbraw/zinc/16/93/88/375169388.db2.gz HKINLNSKTVWVBM-UHFFFAOYSA-N -1 0 253.323 2.184 50 0 CEAARM COC1CCC(N(C)C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000262425298 190055227 /nfs/dbraw/zinc/05/52/27/190055227.db2.gz RADDRVXLGZQXAD-UHFFFAOYSA-N -1 0 297.376 2.476 50 0 CEAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCOC1 ZINC000262444671 190055526 /nfs/dbraw/zinc/05/55/26/190055526.db2.gz VHBRTECXVHYCJW-LLVKDONJSA-N -1 0 293.319 2.147 50 0 CEAARM C[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)[O-])ccc2F)CCO1 ZINC000262847713 190063889 /nfs/dbraw/zinc/06/38/89/190063889.db2.gz BDKMFQPHAARFEC-RKDXNWHRSA-N -1 0 281.283 2.278 50 0 CEAARM COc1cc(NC(=O)[C@]2(C)CCCOC2)ccc1C(=O)[O-] ZINC000262994776 190065668 /nfs/dbraw/zinc/06/56/68/190065668.db2.gz QQHGUFBBZBNXSY-OAHLLOKOSA-N -1 0 293.319 2.149 50 0 CEAARM COc1c(C)cc(C(=O)N(CC(=O)[O-])C(C)C)cc1C ZINC000263303573 190068041 /nfs/dbraw/zinc/06/80/41/190068041.db2.gz VDUOXNCBCPSYDO-UHFFFAOYSA-N -1 0 279.336 2.247 50 0 CEAARM Cc1nc(CCNC(=O)CCCC(=O)[O-])sc1Cl ZINC000426623122 377425529 /nfs/dbraw/zinc/42/55/29/377425529.db2.gz WEPCSFPTORPZAO-UHFFFAOYSA-N -1 0 290.772 2.019 50 0 CEAARM C[C@@H]1CCCCN1C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004179196 296309046 /nfs/dbraw/zinc/30/90/46/296309046.db2.gz UKKWDQAREXKONO-UTUOFQBUSA-N -1 0 251.326 2.054 50 0 CEAARM Cc1cccnc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000171541 169562916 /nfs/dbraw/zinc/56/29/16/169562916.db2.gz YLIIKFWDUODSIV-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM O=C([O-])c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2 ZINC000000377210 304229754 /nfs/dbraw/zinc/22/97/54/304229754.db2.gz TZBYPYVUQVLWKJ-HTRCEHHLSA-N -1 0 275.230 2.279 50 0 CEAARM Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)[O-])o1 ZINC000000266796 169592082 /nfs/dbraw/zinc/59/20/82/169592082.db2.gz GFLWYIBVBBDEEL-UHFFFAOYSA-N -1 0 294.328 2.401 50 0 CEAARM COc1ccc(-c2cccc(C(=O)NCC(=O)[O-])c2)cc1 ZINC000000464956 169647885 /nfs/dbraw/zinc/64/78/85/169647885.db2.gz PNBLNMPRXOZVLN-UHFFFAOYSA-N -1 0 285.299 2.177 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000004088980 184530941 /nfs/dbraw/zinc/53/09/41/184530941.db2.gz GEKSEHFBMPYXLS-TVQRCGJNSA-N -1 0 274.320 2.397 50 0 CEAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])ccc12 ZINC000000489337 169654893 /nfs/dbraw/zinc/65/48/93/169654893.db2.gz VBUUPJHPJVEUIA-QMMMGPOBSA-N -1 0 262.261 2.207 50 0 CEAARM C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013076663 296356979 /nfs/dbraw/zinc/35/69/79/296356979.db2.gz DMDJJBMZAMTALJ-ZWNOBZJWSA-N -1 0 297.376 2.242 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1CCCCO1 ZINC000250863073 256849292 /nfs/dbraw/zinc/84/92/92/256849292.db2.gz QSMAWXTVEATDLI-CRWXNKLISA-N -1 0 295.379 2.190 50 0 CEAARM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000001057975 169688402 /nfs/dbraw/zinc/68/84/02/169688402.db2.gz ATYBZNXCZXTMOA-JTQLQIEISA-N -1 0 255.701 2.179 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000047843844 304285412 /nfs/dbraw/zinc/28/54/12/304285412.db2.gz RVQMJWLWOIXXHW-UHFFFAOYSA-N -1 0 275.161 2.123 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000000299672 134524763 /nfs/dbraw/zinc/52/47/63/134524763.db2.gz LUUNYEARQACGDQ-UHFFFAOYSA-N -1 0 276.336 2.480 50 0 CEAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2ccncc2F)C1 ZINC000091492990 135071132 /nfs/dbraw/zinc/07/11/32/135071132.db2.gz URQYZXSKJGRNLJ-HNNXBMFYSA-N -1 0 296.342 2.319 50 0 CEAARM Cc1ccc2cccc(C(=O)N3CCC[C@@H]3C(=O)[O-])c2n1 ZINC000237895169 394493850 /nfs/dbraw/zinc/49/38/50/394493850.db2.gz UPWYKEVKVBEYEH-CYBMUJFWSA-N -1 0 284.315 2.232 50 0 CEAARM C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1[nH]cnc1C(=O)[O-])C2 ZINC000088657034 394646754 /nfs/dbraw/zinc/64/67/54/394646754.db2.gz JCVMPVXWLKWSMX-RFAUZJTJSA-N -1 0 291.351 2.149 50 0 CEAARM CC(C)=C[C@@H]1[C@@H](C(=O)NCCCC(=O)[O-])C1(C)C ZINC000095969601 394674461 /nfs/dbraw/zinc/67/44/61/394674461.db2.gz OZYDTGVOKGGSTN-PWSUYJOCSA-N -1 0 253.342 2.206 50 0 CEAARM CC(C)(C)c1ncsc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000097231295 394698951 /nfs/dbraw/zinc/69/89/51/394698951.db2.gz XDMTXPMTAPTXKW-VIFPVBQESA-N -1 0 296.392 2.377 50 0 CEAARM CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000100149571 394702897 /nfs/dbraw/zinc/70/28/97/394702897.db2.gz WLWQYSFAQFCNQM-CHWSQXEVSA-N -1 0 285.299 2.231 50 0 CEAARM C[C@@]1(C(=O)NCc2cccc(C(=O)[O-])c2)CC1(F)F ZINC000422560555 394711042 /nfs/dbraw/zinc/71/10/42/394711042.db2.gz XXSTVPHJYRKUQI-LBPRGKRZSA-N -1 0 269.247 2.046 50 0 CEAARM CCc1ccc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000102522876 400254678 /nfs/dbraw/zinc/25/46/78/400254678.db2.gz YMOOSYYKDNIYIL-UHFFFAOYSA-N -1 0 296.330 2.146 50 0 CEAARM Cc1nc(C2CC2)oc1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000262953724 154000664 /nfs/dbraw/zinc/00/06/64/154000664.db2.gz IIWMLECOHOCVRG-OAHLLOKOSA-N -1 0 292.335 2.187 50 0 CEAARM CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cn1)C(=O)[O-] ZINC000263244300 154041440 /nfs/dbraw/zinc/04/14/40/154041440.db2.gz SATNNDCJVXJSSL-GFCCVEGCSA-N -1 0 278.352 2.218 50 0 CEAARM C[C@H](C(=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000003308326 298216741 /nfs/dbraw/zinc/21/67/41/298216741.db2.gz IEODYFJEEGJUQB-SCSAIBSYSA-N -1 0 288.086 2.063 50 0 CEAARM COc1c(F)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000002559585 169809119 /nfs/dbraw/zinc/80/91/19/169809119.db2.gz WQJZXSSAMGZVTM-UHFFFAOYSA-N -1 0 295.241 2.321 50 0 in-vitro CEAARM CC(C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000004301957 169955561 /nfs/dbraw/zinc/95/55/61/169955561.db2.gz JYPNGGRDXVGZQZ-KGLIPLIRSA-N -1 0 290.363 2.472 50 0 CEAARM CC(C)[C@H](NC(=O)Nc1ccccc1F)C(=O)[O-] ZINC000005254915 170080529 /nfs/dbraw/zinc/08/05/29/170080529.db2.gz DYTOGPHSSREOCA-JTQLQIEISA-N -1 0 254.261 2.056 50 0 CEAARM CCCOc1ccccc1-c1nc(SCC(=O)[O-])n[nH]1 ZINC000005965525 170163633 /nfs/dbraw/zinc/16/36/33/170163633.db2.gz YNFLBEPODGBOGL-UHFFFAOYSA-N -1 0 293.348 2.437 50 0 CEAARM COc1cccc(NC(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000006647417 170221959 /nfs/dbraw/zinc/22/19/59/170221959.db2.gz DFGWUSYPMUKIGE-LLVKDONJSA-N -1 0 298.364 2.023 50 0 CEAARM CSc1cccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000008610201 170342559 /nfs/dbraw/zinc/34/25/59/170342559.db2.gz TVBQWNVBFCJARF-UHFFFAOYSA-N -1 0 297.405 2.251 50 0 CEAARM COc1cc2ncccc2c(NC(=O)CCC(=O)[O-])c1 ZINC000008734904 170352044 /nfs/dbraw/zinc/35/20/44/170352044.db2.gz RKSCSGRGQFQDJB-UHFFFAOYSA-N -1 0 274.276 2.047 50 0 CEAARM Cc1n[n-]c(Nc2cccc(C(F)(F)F)c2)nc1=O ZINC000008741117 170353296 /nfs/dbraw/zinc/35/32/96/170353296.db2.gz LPHJJMFESRMVEV-UHFFFAOYSA-N -1 0 270.214 2.236 50 0 CEAARM CCC[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000008992244 170361100 /nfs/dbraw/zinc/36/11/00/170361100.db2.gz JIICXBYUQCFWBN-LLVKDONJSA-N -1 0 260.293 2.151 50 0 CEAARM O=C([O-])c1cc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000011956289 170462145 /nfs/dbraw/zinc/46/21/45/170462145.db2.gz RKTYQZQYACRKAC-UHFFFAOYSA-N -1 0 257.167 2.245 50 0 CEAARM CC(C)C[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000015996487 170684817 /nfs/dbraw/zinc/68/48/17/170684817.db2.gz XHFCBRZIYMTRCB-GFCCVEGCSA-N -1 0 282.315 2.124 50 0 CEAARM C[C@](NC(=O)OCc1ccccc1)(C(=O)[O-])C(F)(F)F ZINC000016158535 170688772 /nfs/dbraw/zinc/68/87/72/170688772.db2.gz RYJHDHKGSWTBEV-NSHDSACASA-N -1 0 291.225 2.318 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC000019274229 170768692 /nfs/dbraw/zinc/76/86/92/170768692.db2.gz DSCHTBMANZRZIL-UHFFFAOYSA-N -1 0 269.300 2.244 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)o1 ZINC000020258175 171113390 /nfs/dbraw/zinc/11/33/90/171113390.db2.gz ILBSUMLPQLKBKT-SNVBAGLBSA-N -1 0 293.706 2.359 50 0 CEAARM NC(=O)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000020297208 171137510 /nfs/dbraw/zinc/13/75/10/171137510.db2.gz FIHJPVBFFYAION-UHFFFAOYSA-N -1 0 257.245 2.276 50 0 CEAARM Cc1cc(=O)c(C(=O)[O-])cn1Nc1cccc(Cl)c1 ZINC000020366138 171164517 /nfs/dbraw/zinc/16/45/17/171164517.db2.gz AHADJGDQJNTCHW-UHFFFAOYSA-N -1 0 278.695 2.384 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2cc(Br)cs2)N1 ZINC000020475011 171219458 /nfs/dbraw/zinc/21/94/58/171219458.db2.gz UUHOYZPWRRQJGO-CAHLUQPWSA-N -1 0 294.195 2.299 50 0 CEAARM Cc1cc(C)c2c(C[P@@](=O)([O-])O)cc(=O)oc2c1 ZINC000020760687 171272114 /nfs/dbraw/zinc/27/21/14/171272114.db2.gz APYPWKQCSUQQTA-UHFFFAOYSA-N -1 0 268.205 2.088 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000022013802 171349314 /nfs/dbraw/zinc/34/93/14/171349314.db2.gz WDICICLPVPLNHO-QWHCGFSZSA-N -1 0 291.347 2.379 50 0 CEAARM CC(C)[C@H](NC(=O)CCCOc1ccccc1)C(=O)[O-] ZINC000033441058 171801783 /nfs/dbraw/zinc/80/17/83/171801783.db2.gz SCZGTIMIEPHUFM-AWEZNQCLSA-N -1 0 279.336 2.071 50 0 CEAARM COc1ccccc1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC000035347465 172140246 /nfs/dbraw/zinc/14/02/46/172140246.db2.gz BKRAYEWQLBKUQF-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCOc1ccccc1F ZINC000037410730 173187379 /nfs/dbraw/zinc/18/73/79/173187379.db2.gz BGAVSLWHZRIOMP-GFCCVEGCSA-N -1 0 295.310 2.060 50 0 CEAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000050215033 175512237 /nfs/dbraw/zinc/51/22/37/175512237.db2.gz YEJLVTLDKVKEEO-UHFFFAOYSA-N -1 0 285.225 2.352 50 0 CEAARM COc1cccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)c1 ZINC000067225206 175771052 /nfs/dbraw/zinc/77/10/52/175771052.db2.gz KTLGYECRSONRKF-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM CN(c1cccc(C(=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000067603370 175778587 /nfs/dbraw/zinc/77/85/87/175778587.db2.gz NZENKQZXOFEWKJ-UHFFFAOYSA-N -1 0 291.328 2.210 50 0 CEAARM O=C(NCc1ccncc1)c1ccc([O-])c(Cl)c1 ZINC000021519915 260121425 /nfs/dbraw/zinc/12/14/25/260121425.db2.gz UCNUXBYRCNPIAX-UHFFFAOYSA-N -1 0 262.696 2.371 50 0 CEAARM CC(C)=C[C@@H]1[C@H](C(=O)N(C)CCC(=O)[O-])C1(C)C ZINC000097018586 278667350 /nfs/dbraw/zinc/66/73/50/278667350.db2.gz LNICEQPDYJFLND-ZYHUDNBSSA-N -1 0 253.342 2.158 50 0 CEAARM CC/C=C(/C)C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000094743400 280828172 /nfs/dbraw/zinc/82/81/72/280828172.db2.gz SIXIEHUVXACYFM-DXGKCEBASA-N -1 0 253.342 2.492 50 0 CEAARM CC1(C)CC(=O)N(CC(=O)[O-])c2ccccc2S1 ZINC000004173818 280895715 /nfs/dbraw/zinc/89/57/15/280895715.db2.gz AKBNVAXNPUUJJF-UHFFFAOYSA-N -1 0 265.334 2.379 50 0 CEAARM CC[C@](C)(CC(=O)[O-])NC(=O)CC[C@H]1CC[C@@H](C)O1 ZINC000237094456 288388693 /nfs/dbraw/zinc/38/86/93/288388693.db2.gz RCQJXEWDCGABPD-JTNHKYCSSA-N -1 0 271.357 2.094 50 0 CEAARM COc1c(C)cc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1C ZINC000262998395 294889686 /nfs/dbraw/zinc/88/96/86/294889686.db2.gz QXRXPKINLJRPLU-ZDUSSCGKSA-N -1 0 291.347 2.391 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000005528213 297354641 /nfs/dbraw/zinc/35/46/41/297354641.db2.gz OENIZBQWTODIDU-XQHKEYJVSA-N -1 0 265.353 2.158 50 0 CEAARM C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CC(C)(C)O1 ZINC000041684756 300196922 /nfs/dbraw/zinc/19/69/22/300196922.db2.gz LHWFDFZCOOLOJU-JTQLQIEISA-N -1 0 277.320 2.024 50 0 CEAARM C[S@@](=O)Cc1c2ccccc2sc1C(=O)[O-] ZINC000040960326 300880654 /nfs/dbraw/zinc/88/06/54/300880654.db2.gz ZVMLWGAAUPYKEN-INIZCTEOSA-N -1 0 254.332 2.478 50 0 CEAARM Cc1cc(-c2ccccc2)nc2cc(C(=O)[O-])nn21 ZINC000004731367 301034207 /nfs/dbraw/zinc/03/42/07/301034207.db2.gz WSVXLVVUFWLVNB-UHFFFAOYSA-N -1 0 253.261 2.403 50 0 CEAARM Cc1cc(C(=O)[O-])ccc1-n1ncc2cccnc21 ZINC000067982679 301155018 /nfs/dbraw/zinc/15/50/18/301155018.db2.gz QUKGHAGSCRSCSZ-UHFFFAOYSA-N -1 0 253.261 2.427 50 0 CEAARM Cc1cc(C)nc(-n2cc(C(=O)[O-])c(C(C)C)n2)n1 ZINC000037311393 301260856 /nfs/dbraw/zinc/26/08/56/301260856.db2.gz NPBXBBAUERRGNW-UHFFFAOYSA-N -1 0 260.297 2.101 50 0 CEAARM Cc1cc(F)cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000235610582 301299118 /nfs/dbraw/zinc/29/91/18/301299118.db2.gz IEAGQUQHSIJIIK-GXFFZTMASA-N -1 0 279.311 2.459 50 0 CEAARM Cc1nc2c3ccccc3oc2c(NCC(=O)[O-])n1 ZINC000004487966 302658614 /nfs/dbraw/zinc/65/86/14/302658614.db2.gz HYHCFJCCDXGIKT-UHFFFAOYSA-N -1 0 257.249 2.181 50 0 CEAARM Cc1nn(C)c2nc(-c3cccnc3)cc(C(=O)[O-])c12 ZINC000012396109 302789433 /nfs/dbraw/zinc/78/94/33/302789433.db2.gz PWJKXCJMWFWZHK-UHFFFAOYSA-N -1 0 268.276 2.037 50 0 CEAARM Cn1nc(C(=O)[O-])nc1-c1ccc(C(C)(C)C)cc1 ZINC000534585859 328315280 /nfs/dbraw/zinc/31/52/80/328315280.db2.gz IYJZZTLBQQXMAA-UHFFFAOYSA-N -1 0 259.309 2.478 50 0 CEAARM CCCOC[C@@H]1CC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000534635304 328333453 /nfs/dbraw/zinc/33/34/53/328333453.db2.gz QOYKRDQCXHJZSM-GFCCVEGCSA-N -1 0 278.352 2.028 50 0 CEAARM O=C([O-])CCCN=c1nc[nH]c2sc3c(c21)CCCC3 ZINC000006224107 326817744 /nfs/dbraw/zinc/81/77/44/326817744.db2.gz SVEXEHYBLPXJCM-UHFFFAOYSA-N -1 0 291.376 2.269 50 0 CEAARM CC(C)CCOCC(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000002139827 519665260 /nfs/dbraw/zinc/66/52/60/519665260.db2.gz OOJGFDLOSAPOMY-UHFFFAOYSA-N -1 0 266.293 2.353 50 0 CEAARM C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccncc1 ZINC000157755915 525138309 /nfs/dbraw/zinc/13/83/09/525138309.db2.gz QWXILJYEEQQOMX-CYZMBNFOSA-N -1 0 276.336 2.150 50 0 CEAARM CC1(C)CC(=O)C(=C([O-])Cc2ccccc2)C(=O)C1 ZINC000106573552 628835110 /nfs/dbraw/zinc/83/51/10/628835110.db2.gz LCISVIVDOGXIAC-UHFFFAOYSA-N -1 0 258.317 2.373 50 0 CEAARM C[C@@H]1Cc2cc(NC(=O)CCCC(=O)[O-])ccc2O1 ZINC000911082819 638233992 /nfs/dbraw/zinc/23/39/92/638233992.db2.gz PHENTJSVDSLLSX-SECBINFHSA-N -1 0 263.293 2.203 50 0 CEAARM O=C([O-])c1cccc2c1CN(Cc1cc3n(n1)CCC3)CC2 ZINC000864095928 646899345 /nfs/dbraw/zinc/89/93/45/646899345.db2.gz NJCDCAVSGQVIDL-UHFFFAOYSA-N -1 0 297.358 2.086 50 0 CEAARM CC(C)(C)OC(=O)N1CCC([C@H]2CC[C@@H](C(=O)[O-])O2)CC1 ZINC000708190050 809923665 /nfs/dbraw/zinc/92/36/65/809923665.db2.gz NFBUIHVVVXOVQE-NEPJUHHUSA-N -1 0 299.367 2.266 50 0 CEAARM O=C(/C=C/c1ccco1)NCCc1cccc(C(=O)[O-])c1 ZINC000095953331 185040978 /nfs/dbraw/zinc/04/09/78/185040978.db2.gz ODDLLPBQGVRWAA-VOTSOKGWSA-N -1 0 285.299 2.350 50 0 CEAARM Cc1cccc(C(=O)N(CC(=O)[O-])C2CCCCC2)n1 ZINC000095970118 185048758 /nfs/dbraw/zinc/04/87/58/185048758.db2.gz LSQMHYPWQGGYGY-UHFFFAOYSA-N -1 0 276.336 2.250 50 0 CEAARM CC(C)(CNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C(=O)[O-] ZINC000095989533 185057202 /nfs/dbraw/zinc/05/72/02/185057202.db2.gz ZEVWLKAXDJPCHD-ZJUUUORDSA-N -1 0 297.301 2.295 50 0 CEAARM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1(C)C ZINC000236884176 370645435 /nfs/dbraw/zinc/64/54/35/370645435.db2.gz YNJWPPVYVUDENO-NWDGAFQWSA-N -1 0 295.335 2.253 50 0 CEAARM O=C([O-])c1nn(Cc2ccccc2)c2ncccc12 ZINC000082822388 178317472 /nfs/dbraw/zinc/31/74/72/178317472.db2.gz QLDNIXIDTPFIOV-UHFFFAOYSA-N -1 0 253.261 2.178 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)Cc1ccccc1Cl ZINC000036923268 361870564 /nfs/dbraw/zinc/87/05/64/361870564.db2.gz WKMWIVPIDUOFBH-UHFFFAOYSA-N -1 0 269.728 2.206 50 0 CEAARM O=C([O-])CSc1n[nH]c(-c2ccc3c(c2)CCC3)n1 ZINC000036948386 361872942 /nfs/dbraw/zinc/87/29/42/361872942.db2.gz RWJQKEKKXJCWKO-UHFFFAOYSA-N -1 0 275.333 2.137 50 0 CEAARM CCc1cc(C(=O)N(CC(=O)[O-])C2CC2)sc1C ZINC000037589179 361907161 /nfs/dbraw/zinc/90/71/61/361907161.db2.gz FUSGCJLZFFHXOC-UHFFFAOYSA-N -1 0 267.350 2.308 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000037598805 361910031 /nfs/dbraw/zinc/91/00/31/361910031.db2.gz VBUCCXPSYCGELP-XDQVBPFNSA-N -1 0 298.427 2.112 50 0 CEAARM O=C([O-])CCCCC(=O)Nc1cccnc1N1CCCC1 ZINC000037793243 361939188 /nfs/dbraw/zinc/93/91/88/361939188.db2.gz CRRUJYNQFULJAJ-UHFFFAOYSA-N -1 0 291.351 2.265 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037932253 361965691 /nfs/dbraw/zinc/96/56/91/361965691.db2.gz JFFNHLNXYKSYIS-HIFRSBDPSA-N -1 0 291.347 2.087 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000097035820 185166391 /nfs/dbraw/zinc/16/63/91/185166391.db2.gz LCDQNLHWRGHJOW-IVZWLZJFSA-N -1 0 267.350 2.139 50 0 CEAARM CC[C@H](C(=O)[O-])N(C)C(=O)c1csc(C)c1C ZINC000399975590 539268418 /nfs/dbraw/zinc/26/84/18/539268418.db2.gz CULMKSHTSSZNRG-SNVBAGLBSA-N -1 0 255.339 2.300 50 0 CEAARM CCO[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000042327542 362083527 /nfs/dbraw/zinc/08/35/27/362083527.db2.gz 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ZINC000000287962 361156937 /nfs/dbraw/zinc/15/69/37/361156937.db2.gz FLARWHPLHFLFMD-RDDDGLTNSA-N -1 0 253.298 2.126 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000000428599 361173651 /nfs/dbraw/zinc/17/36/51/361173651.db2.gz UBUMKYKAZAIENB-UHFFFAOYSA-N -1 0 279.365 2.444 50 0 CEAARM CC1=CC[C@H](C(=O)[O-])[C@@H](C(=O)Nc2cccnc2)C1 ZINC000000469406 361178437 /nfs/dbraw/zinc/17/84/37/361178437.db2.gz CGLZHDSKMYSNKR-RYUDHWBXSA-N -1 0 260.293 2.077 50 0 CEAARM O=C([O-])c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000001503237 361207526 /nfs/dbraw/zinc/20/75/26/361207526.db2.gz LDRFFJDBXVSKKM-UHFFFAOYSA-N -1 0 263.680 2.248 50 0 CEAARM CC(C)[C@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1 ZINC000002540583 361239503 /nfs/dbraw/zinc/23/95/03/361239503.db2.gz NNEHOKZDWLJKHP-GFCCVEGCSA-N -1 0 265.309 2.364 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000002567676 361240278 /nfs/dbraw/zinc/24/02/78/361240278.db2.gz FPCCREICRYPTTL-LLVKDONJSA-N -1 0 283.299 2.346 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)C)C(=O)[O-] ZINC000002554992 361240844 /nfs/dbraw/zinc/24/08/44/361240844.db2.gz OGARKMDCQCLMCS-QMMMGPOBSA-N -1 0 277.386 2.496 50 0 CEAARM O=C([O-])CSc1nccn1-c1cccc(F)c1 ZINC000003407927 361278607 /nfs/dbraw/zinc/27/86/07/361278607.db2.gz YGMHOOWRUWSDAP-UHFFFAOYSA-N -1 0 252.270 2.188 50 0 CEAARM O=C([O-])CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000003888212 361293564 /nfs/dbraw/zinc/29/35/64/361293564.db2.gz WKPKUAGYCXDNLS-UHFFFAOYSA-N -1 0 289.360 2.381 50 0 CEAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003098733 361263695 /nfs/dbraw/zinc/26/36/95/361263695.db2.gz YWXUADNLTYADPN-UHFFFAOYSA-N -1 0 290.772 2.128 50 0 CEAARM O=C([O-])c1nc(NCCc2ccccc2)ncc1Cl ZINC000003200146 361267125 /nfs/dbraw/zinc/26/71/25/361267125.db2.gz IENXQMOXRHNNNW-UHFFFAOYSA-N -1 0 277.711 2.483 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000004088973 361299358 /nfs/dbraw/zinc/29/93/58/361299358.db2.gz GEKSEHFBMPYXLS-RNCFNFMXSA-N -1 0 274.320 2.397 50 0 CEAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000004475129 361317387 /nfs/dbraw/zinc/31/73/87/361317387.db2.gz UPDOIDZVEJYGMU-VKHJRQFRSA-N -1 0 277.301 2.196 50 0 CEAARM CN1CCN(C(=O)c2ncccc2[O-])c2ccc(F)cc21 ZINC000153916085 366744528 /nfs/dbraw/zinc/74/45/28/366744528.db2.gz CQSWJAWKJQTGDN-UHFFFAOYSA-N -1 0 287.294 2.023 50 0 CEAARM Cc1c(C)[n+]([O-])cn1CC1(CC(=O)[O-])CCCCC1 ZINC000011764922 361363506 /nfs/dbraw/zinc/36/35/06/361363506.db2.gz MTAPSIPRXPJOIF-UHFFFAOYSA-N -1 0 266.341 2.164 50 0 CEAARM CCc1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000011923725 361368265 /nfs/dbraw/zinc/36/82/65/361368265.db2.gz DUHBEVLZBYHYJA-UHFFFAOYSA-N -1 0 279.365 2.092 50 0 CEAARM O=C([O-])c1cccnc1Nc1ccc2c(c1)OCO2 ZINC000012428604 361385715 /nfs/dbraw/zinc/38/57/15/361385715.db2.gz XGNUXIWMYDWIQW-UHFFFAOYSA-N -1 0 258.233 2.252 50 0 CEAARM O=C([O-])c1ccc(Cn2cc(Br)cn2)s1 ZINC000012357618 361379001 /nfs/dbraw/zinc/37/90/01/361379001.db2.gz OZQLICWNCHLCPZ-UHFFFAOYSA-N -1 0 287.138 2.454 50 0 CEAARM CCn1ccc(-c2nc3ccccc3n2CC(=O)[O-])n1 ZINC000012397887 361382726 /nfs/dbraw/zinc/38/27/26/361382726.db2.gz HJSZDNRBPKIRDX-UHFFFAOYSA-N -1 0 270.292 2.004 50 0 CEAARM Cc1ccc(NC(=O)c2cccnc2)c(C(=O)[O-])c1 ZINC000012421338 361384535 /nfs/dbraw/zinc/38/45/35/361384535.db2.gz ZEPLMSMAAIUWNH-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccncc2)C1 ZINC000012954655 361411771 /nfs/dbraw/zinc/41/17/71/361411771.db2.gz MFBDFVFXHFCNQX-NEPJUHHUSA-N -1 0 292.335 2.117 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000013166433 361421296 /nfs/dbraw/zinc/42/12/96/361421296.db2.gz LJVFGJAPKCMHNG-LBPRGKRZSA-N -1 0 259.305 2.357 50 0 CEAARM Cc1cc(C)cc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013170603 361422416 /nfs/dbraw/zinc/42/24/16/361422416.db2.gz QNKTZHOKDUENDC-ZDUSSCGKSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccc1Cl ZINC000013173099 361423982 /nfs/dbraw/zinc/42/39/82/361423982.db2.gz MGMSISLCXOOZLP-NEPJUHHUSA-N -1 0 297.738 2.151 50 0 CEAARM Cc1ccc(C(=O)CCC(=O)CCC(=O)[O-])s1 ZINC000013013700 361417011 /nfs/dbraw/zinc/41/70/11/361417011.db2.gz XGNDWMHRNFGALI-UHFFFAOYSA-N -1 0 254.307 2.453 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000019385846 361529300 /nfs/dbraw/zinc/52/93/00/361529300.db2.gz XOXJFGFVNVEYQI-SECBINFHSA-N -1 0 287.237 2.139 50 0 CEAARM CC[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000019258127 361523133 /nfs/dbraw/zinc/52/31/33/361523133.db2.gz HQVGCMKPDWKAJU-HZMBPMFUSA-N -1 0 288.347 2.326 50 0 CEAARM COc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2C)cc1 ZINC000032155527 361732765 /nfs/dbraw/zinc/73/27/65/361732765.db2.gz YBKFDMGIRANAAJ-QMMMGPOBSA-N -1 0 293.348 2.056 50 0 CEAARM CCc1ccc(C(=O)NC(C)(C)C(C)(C)C(=O)[O-])o1 ZINC000087622268 363863298 /nfs/dbraw/zinc/86/32/98/363863298.db2.gz LDBMCZIEQPXNSB-UHFFFAOYSA-N -1 0 267.325 2.461 50 0 CEAARM O=C([O-])CCCCNC(=O)c1cccc2cc[nH]c21 ZINC000088731329 363916053 /nfs/dbraw/zinc/91/60/53/363916053.db2.gz JGQMJHXTONKPRF-UHFFFAOYSA-N -1 0 260.293 2.153 50 0 CEAARM CC(C)C[C@@H](CNC(=O)COC1CCCCC1)C(=O)[O-] ZINC000089802506 364004351 /nfs/dbraw/zinc/00/43/51/364004351.db2.gz PGWBAKBDIPKGEE-LBPRGKRZSA-N -1 0 285.384 2.199 50 0 CEAARM CCC[C@H](NC(=O)[C@H](C)c1cccs1)c1nnn[n-]1 ZINC000089949543 364022802 /nfs/dbraw/zinc/02/28/02/364022802.db2.gz PBGCRSQOEJXAAQ-BDAKNGLRSA-N -1 0 279.369 2.022 50 0 CEAARM CCn1nc(C)cc1C(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000090122814 364042260 /nfs/dbraw/zinc/04/22/60/364042260.db2.gz FPIMKSIFQLYYGQ-UHFFFAOYSA-N -1 0 287.319 2.470 50 0 CEAARM C[C@@H](CC(=O)N(CC(=O)[O-])C1CC1)c1ccccc1F ZINC000237302643 370708733 /nfs/dbraw/zinc/70/87/33/370708733.db2.gz VUEDKHKVARKGGF-JTQLQIEISA-N -1 0 279.311 2.395 50 0 CEAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237325005 370710490 /nfs/dbraw/zinc/71/04/90/370710490.db2.gz CJZRNGXFAWZZJZ-FZMZJTMJSA-N -1 0 293.338 2.470 50 0 CEAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237324828 370710554 /nfs/dbraw/zinc/71/05/54/370710554.db2.gz CJZRNGXFAWZZJZ-SMDDNHRTSA-N -1 0 293.338 2.470 50 0 CEAARM CSCc1cc(C(=O)NC2(C(=O)[O-])CCC2)ccc1F ZINC000237381382 370715961 /nfs/dbraw/zinc/71/59/61/370715961.db2.gz VRFWSDGYVONFNV-UHFFFAOYSA-N -1 0 297.351 2.426 50 0 CEAARM C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237377181 370716075 /nfs/dbraw/zinc/71/60/75/370716075.db2.gz CKCVJKDKYOFCQT-GXSJLCMTSA-N -1 0 267.350 2.002 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CC1CCOCC1 ZINC000237979650 370763834 /nfs/dbraw/zinc/76/38/34/370763834.db2.gz FDDZJJRMPDTEDX-CYBMUJFWSA-N -1 0 283.368 2.049 50 0 CEAARM C[C@H](CN(C(=O)Cc1ccccc1F)C1CC1)C(=O)[O-] ZINC000237604657 370737088 /nfs/dbraw/zinc/73/70/88/370737088.db2.gz UBKPPGJNQBXNFD-SNVBAGLBSA-N -1 0 279.311 2.080 50 0 CEAARM Cc1ccc([C@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000237664781 370743140 /nfs/dbraw/zinc/74/31/40/370743140.db2.gz MECPQBSHWSIPST-HBNTYKKESA-N -1 0 279.361 2.236 50 0 CEAARM Cc1ccc(C)c([C@@H]2CN(CC(=O)[O-])[C@@H](C)CO2)c1 ZINC000237704897 370745587 /nfs/dbraw/zinc/74/55/87/370745587.db2.gz OYLYAURNQRPLJY-JSGCOSHPSA-N -1 0 263.337 2.150 50 0 CEAARM O=C([O-])CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000238190926 370772616 /nfs/dbraw/zinc/77/26/16/370772616.db2.gz NGIJFLHIBBBGPF-IUCAKERBSA-N -1 0 288.130 2.298 50 0 CEAARM O=C([O-])CNC(=O)c1ccccc1Cc1ccccc1 ZINC000238196299 370772634 /nfs/dbraw/zinc/77/26/34/370772634.db2.gz CAGALQBBVIGGEW-UHFFFAOYSA-N -1 0 269.300 2.092 50 0 CEAARM C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000239331331 370776118 /nfs/dbraw/zinc/77/61/18/370776118.db2.gz KMRLXCQUQIMDDQ-ICCXJUOJSA-N -1 0 287.315 2.310 50 0 CEAARM Cc1nc(CN(CC(=O)[O-])CC(C)C)sc1C ZINC000094969412 364320052 /nfs/dbraw/zinc/32/00/52/364320052.db2.gz RFLVRBAWTOGKOF-UHFFFAOYSA-N -1 0 256.371 2.303 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@H]1CCCCO1 ZINC000095031185 364324362 /nfs/dbraw/zinc/32/43/62/364324362.db2.gz WRUNAZCBEWUKRO-QWHCGFSZSA-N -1 0 283.368 2.192 50 0 CEAARM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCCCC1 ZINC000095350910 364343603 /nfs/dbraw/zinc/34/36/03/364343603.db2.gz JNJLOMCYXHZIOO-UHFFFAOYSA-N -1 0 289.310 2.343 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)c(C)o1 ZINC000097114363 364457162 /nfs/dbraw/zinc/45/71/62/364457162.db2.gz ARVBBYCHBCDXOJ-UHFFFAOYSA-N -1 0 281.337 2.104 50 0 CEAARM C[C@H](CN(C)C(=O)CCc1cc(F)ccc1F)C(=O)[O-] ZINC000097228597 364480707 /nfs/dbraw/zinc/48/07/07/364480707.db2.gz ITSNPKUESFNCCU-SECBINFHSA-N -1 0 285.290 2.077 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)C1CC=CC1 ZINC000097228618 364481384 /nfs/dbraw/zinc/48/13/84/364481384.db2.gz FYKJQWILXUROFD-UHFFFAOYSA-N -1 0 259.305 2.066 50 0 CEAARM Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(C)o1 ZINC000097231877 364482560 /nfs/dbraw/zinc/48/25/60/364482560.db2.gz YFFGLEWPGDAATH-QMMMGPOBSA-N -1 0 265.309 2.222 50 0 CEAARM C[C@@H](CNC(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000097231364 364482908 /nfs/dbraw/zinc/48/29/08/364482908.db2.gz KWLSPXIPXHQNKT-QMMMGPOBSA-N -1 0 289.253 2.085 50 0 CEAARM O=C([O-])[C@H](c1nnc(C2CCOCC2)[nH]1)C1CCCCC1 ZINC000097568982 364510419 /nfs/dbraw/zinc/51/04/19/364510419.db2.gz GTZWYJYHXUTLPI-LBPRGKRZSA-N -1 0 293.367 2.447 50 0 CEAARM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CCCOCC2)cc1 ZINC000192970668 189632572 /nfs/dbraw/zinc/63/25/72/189632572.db2.gz IGEAKKZXRFOAIC-CQSZACIVSA-N -1 0 291.347 2.003 50 0 CEAARM Cc1cccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC2)c1C ZINC000118975447 365194265 /nfs/dbraw/zinc/19/42/65/365194265.db2.gz XRHKPXSJJWEAKS-LLVKDONJSA-N -1 0 261.321 2.345 50 0 CEAARM C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2nnn[n-]2)CC(C)(C)C1 ZINC000357356156 370812595 /nfs/dbraw/zinc/81/25/95/370812595.db2.gz OEKORNIHSGDDBC-NXEZZACHSA-N -1 0 279.388 2.013 50 0 CEAARM Cc1nocc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000585119845 367180364 /nfs/dbraw/zinc/18/03/64/367180364.db2.gz XBXHKNOODITDPH-UHFFFAOYSA-N -1 0 266.322 2.401 50 0 CEAARM O=C([O-])C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000170596103 367384775 /nfs/dbraw/zinc/38/47/75/367384775.db2.gz MXGFBVNOMPGCJZ-ZDUSSCGKSA-N -1 0 273.263 2.116 50 0 CEAARM O=C([O-])c1cc(Nc2nc(Cl)ncc2F)ccc1O ZINC000170624845 367388748 /nfs/dbraw/zinc/38/87/48/367388748.db2.gz HTLPEBZRPJVYTF-UHFFFAOYSA-N -1 0 283.646 2.417 50 0 CEAARM O=C([O-])[C@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000169676791 367369941 /nfs/dbraw/zinc/36/99/41/367369941.db2.gz FHOGQZYORXROGK-MRXNPFEDSA-N -1 0 281.311 2.397 50 0 CEAARM Cc1nc(CC(C)C)c(C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000178267337 368294446 /nfs/dbraw/zinc/29/44/46/368294446.db2.gz RYOBDERNZXEKAQ-JTQLQIEISA-N -1 0 296.392 2.197 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000262412220 304139096 /nfs/dbraw/zinc/13/90/96/304139096.db2.gz OIDKUQGTABOYAG-ZOWXZIJZSA-N -1 0 263.337 2.056 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000262595420 304140355 /nfs/dbraw/zinc/14/03/55/304140355.db2.gz IRVLBHJWYCNCTL-NGZCFLSTSA-N -1 0 295.722 2.001 50 0 CEAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)C2CC=CC2)c(F)c1 ZINC000190873957 369657749 /nfs/dbraw/zinc/65/77/49/369657749.db2.gz RCYGIWDFEDYPFA-UHFFFAOYSA-N -1 0 297.351 2.046 50 0 CEAARM CCO[C@H]1C[C@](NC(=O)c2ccsc2)(C(=O)[O-])C1(C)C ZINC000193033739 369885572 /nfs/dbraw/zinc/88/55/72/369885572.db2.gz CNDOQWOCFAMLSA-HZMBPMFUSA-N -1 0 297.376 2.136 50 0 CEAARM C[C@@H](CC(=O)NCCCC(=O)[O-])c1ccc(F)cc1 ZINC000195541401 370138230 /nfs/dbraw/zinc/13/82/30/370138230.db2.gz YQYODDSTEKLGJQ-JTQLQIEISA-N -1 0 267.300 2.300 50 0 CEAARM CCC[C@H](NC(=O)CCc1ccsc1)C(=O)[O-] ZINC000195551838 370140962 /nfs/dbraw/zinc/14/09/62/370140962.db2.gz MRSSTKVLEBQFQS-JTQLQIEISA-N -1 0 255.339 2.050 50 0 CEAARM CC/C=C(\C)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000222118207 370250875 /nfs/dbraw/zinc/25/08/75/370250875.db2.gz WSGAXRHKXZWOFK-GMMCIKNFSA-N -1 0 275.348 2.402 50 0 CEAARM CN(C)C(=O)c1cccnc1-c1cccc(C(=O)[O-])c1 ZINC000216292002 370186740 /nfs/dbraw/zinc/18/67/40/370186740.db2.gz HPVHSXXUKPOOPH-UHFFFAOYSA-N -1 0 270.288 2.149 50 0 CEAARM O=S(=O)(/C=C/c1ccccc1)[N-]CC(F)(F)F ZINC000225490897 370299850 /nfs/dbraw/zinc/29/98/50/370299850.db2.gz JVPIKOLTPIIKNJ-VOTSOKGWSA-N -1 0 265.256 2.139 50 0 CEAARM CC(C)[C@@H](NC(=O)c1cccc2c1ccn2C)C(=O)[O-] ZINC000236681810 370607027 /nfs/dbraw/zinc/60/70/27/370607027.db2.gz QZHORXWVEGSJQB-CYBMUJFWSA-N -1 0 274.320 2.017 50 0 CEAARM CC(C)CO[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000236638006 370600135 /nfs/dbraw/zinc/60/01/35/370600135.db2.gz NURZOZNYNCDWTK-CQSZACIVSA-N -1 0 291.347 2.272 50 0 CEAARM CC(C)(C)n1nc(C(=O)NCCCC(=O)[O-])cc1C1CC1 ZINC000236761100 370621976 /nfs/dbraw/zinc/62/19/76/370621976.db2.gz GRJOPWUOSFHXPP-UHFFFAOYSA-N -1 0 293.367 2.110 50 0 CEAARM Cc1ncc(CO)c(C=NNc2ccc(F)cc2)c1O ZINC000254509977 371536908 /nfs/dbraw/zinc/53/69/08/371536908.db2.gz RKCSAYCKGSCOQB-UHFFFAOYSA-N -1 0 275.283 2.173 50 0 CEAARM COc1cc(CNC(=O)[C@H]2C[C@H]2C2CC2)ccc1C(=O)[O-] ZINC000237319467 189872261 /nfs/dbraw/zinc/87/22/61/189872261.db2.gz JFFGTVFRQZJKSD-STQMWFEESA-N -1 0 289.331 2.056 50 0 CEAARM Cc1ccc(N(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1Cl ZINC000262096436 190048324 /nfs/dbraw/zinc/04/83/24/190048324.db2.gz IOXBDTPVXFDOJF-ZJUUUORDSA-N -1 0 267.712 2.332 50 0 CEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2cccc(Cl)c2)CC1 ZINC000262428955 190054917 /nfs/dbraw/zinc/05/49/17/190054917.db2.gz RQUZOSLSQVUARR-MNOVXSKESA-N -1 0 279.723 2.166 50 0 CEAARM C[C@@H](NC(=O)c1ccccc1CCC(F)(F)F)C(=O)[O-] ZINC000262935309 190065420 /nfs/dbraw/zinc/06/54/20/190065420.db2.gz BRZDHSGQWSSDIH-MRVPVSSYSA-N -1 0 289.253 2.384 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000263441075 190068785 /nfs/dbraw/zinc/06/87/85/190068785.db2.gz MHRULDCQAGYXGM-BDAKNGLRSA-N -1 0 292.310 2.075 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc2c(c1)N=S=N2 ZINC000263491131 190068973 /nfs/dbraw/zinc/06/89/73/190068973.db2.gz WUIBEIGWGZCYFQ-ZDUSSCGKSA-N -1 0 291.332 2.492 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc2O1 ZINC000013434301 304197683 /nfs/dbraw/zinc/19/76/83/304197683.db2.gz ZOELIHRATWVYLL-SMDDNHRTSA-N -1 0 287.315 2.222 50 0 CEAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000328595409 376854629 /nfs/dbraw/zinc/85/46/29/376854629.db2.gz UKISUIPPQURRHX-ZJUUUORDSA-N -1 0 287.237 2.451 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CSCC1CC1 ZINC000426707224 377429098 /nfs/dbraw/zinc/42/90/98/377429098.db2.gz NVGZYPCEYXJFCK-GFCCVEGCSA-N -1 0 285.409 2.376 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2sccc2C2CC2)C1 ZINC000299742767 379125585 /nfs/dbraw/zinc/12/55/85/379125585.db2.gz KEVJPVNNXCFXGO-SECBINFHSA-N -1 0 265.334 2.172 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2COc3ccccc32)c1 ZINC000299743283 379125769 /nfs/dbraw/zinc/12/57/69/379125769.db2.gz MWZUVLQVYYHENK-CQSZACIVSA-N -1 0 297.310 2.177 50 0 CEAARM CC(C)Cc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)on1 ZINC000299767006 379133111 /nfs/dbraw/zinc/13/31/11/379133111.db2.gz ACVNRZQBLJLGPB-UHFFFAOYSA-N -1 0 292.291 2.094 50 0 CEAARM O=C([O-])c1cc(-c2ccco2)nc2c(Cl)cnn21 ZINC000020605200 304219729 /nfs/dbraw/zinc/21/97/29/304219729.db2.gz LXAYPAABHSUSJR-UHFFFAOYSA-N -1 0 263.640 2.341 50 0 CEAARM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 ZINC000000001518 169503104 /nfs/dbraw/zinc/50/31/04/169503104.db2.gz OPIGMRDAPFQALU-UHFFFAOYSA-N -1 0 298.393 2.045 50 0 in-man CEAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000000084826 169530675 /nfs/dbraw/zinc/53/06/75/169530675.db2.gz FGFXAMXLGBFURZ-ZCFIWIBFSA-N -1 0 274.103 2.431 50 0 CEAARM O=C([O-])c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000000377212 304229816 /nfs/dbraw/zinc/22/98/16/304229816.db2.gz TZBYPYVUQVLWKJ-XPUUQOCRSA-N -1 0 275.230 2.279 50 0 CEAARM O=C([O-])c1ccc(-n2cc(Br)cn2)cc1 ZINC000004343080 304231002 /nfs/dbraw/zinc/23/10/02/304231002.db2.gz WAAQQRWNTQPCCV-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000019482103 304249082 /nfs/dbraw/zinc/24/90/82/304249082.db2.gz HILDSQMINZBXHC-UHFFFAOYSA-N -1 0 254.307 2.101 50 0 CEAARM O=C([O-])c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000000061491 304269713 /nfs/dbraw/zinc/26/97/13/304269713.db2.gz RSKJDIQHYKWJLS-UHFFFAOYSA-N -1 0 267.240 2.185 50 0 CEAARM CCc1ccc(-c2ccc3nnc(CCC(=O)[O-])n3n2)cc1 ZINC000058021746 256877297 /nfs/dbraw/zinc/87/72/97/256877297.db2.gz KAMWESNRVROVBC-UHFFFAOYSA-N -1 0 296.330 2.371 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)Cc2cccc(Cl)c2)o1 ZINC000094554361 184817210 /nfs/dbraw/zinc/81/72/10/184817210.db2.gz KTUJHROPMGOIPU-UHFFFAOYSA-N -1 0 293.706 2.490 50 0 CEAARM CC(C)C[C@H](CNC(=O)c1ccc(Cl)cn1)C(=O)[O-] ZINC000094701994 184843340 /nfs/dbraw/zinc/84/33/40/184843340.db2.gz IGROMBLGUMSANO-SECBINFHSA-N -1 0 284.743 2.212 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000072233664 394597144 /nfs/dbraw/zinc/59/71/44/394597144.db2.gz IGJFSMWRRCIPPM-UHFFFAOYSA-N -1 0 297.351 2.067 50 0 CEAARM O=C([O-])c1ccc(N[C@H]2CCOC2)c(Br)c1 ZINC000095884021 394674673 /nfs/dbraw/zinc/67/46/73/394674673.db2.gz TXAQJPKYHHQTNL-QMMMGPOBSA-N -1 0 286.125 2.348 50 0 CEAARM C[C@H](Cc1ncc[nH]1)OCc1cccc(C(=O)[O-])c1 ZINC000519716745 395213717 /nfs/dbraw/zinc/21/37/17/395213717.db2.gz YLVDVHDHWATTFL-SNVBAGLBSA-N -1 0 260.293 2.256 50 0 CEAARM CC(C)NC(=O)C(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000102256245 400254323 /nfs/dbraw/zinc/25/43/23/400254323.db2.gz UNUHXXWMXASNMD-UHFFFAOYSA-N -1 0 267.712 2.007 50 0 CEAARM CCCCc1nc(Cl)c(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)[nH]1 ZINC000217202732 400306936 /nfs/dbraw/zinc/30/69/36/400306936.db2.gz QRMINDQXRVTCMU-GDGBQDQQSA-N -1 0 297.786 2.168 50 0 CEAARM CC[C@@](CNC(=O)[C@@H]1CC12CC2)(C(=O)[O-])c1ccccc1 ZINC000263199682 154030609 /nfs/dbraw/zinc/03/06/09/154030609.db2.gz MGJDQERHMANMKF-GUYCJALGSA-N -1 0 287.359 2.335 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(C(C)(C)C)cn1)C1CC1 ZINC000263216253 154036175 /nfs/dbraw/zinc/03/61/75/154036175.db2.gz OELCQZAUODVWMK-JTQLQIEISA-N -1 0 290.363 2.457 50 0 CEAARM C[C@H](Cc1cccc(Cl)c1)C(=O)NCCC(=O)[O-] ZINC000263272073 154043927 /nfs/dbraw/zinc/04/39/27/154043927.db2.gz PICRAIRWYXMLGL-SECBINFHSA-N -1 0 269.728 2.110 50 0 CEAARM C[C@@H](CN(C)c1cncc(-c2cccs2)n1)C(=O)[O-] ZINC000263541322 154123168 /nfs/dbraw/zinc/12/31/68/154123168.db2.gz CZAJKZNANJDWMQ-VIFPVBQESA-N -1 0 277.349 2.362 50 0 CEAARM C[C@@H](CN(C)c1ncncc1-c1ccccc1)C(=O)[O-] ZINC000263552003 154126511 /nfs/dbraw/zinc/12/65/11/154126511.db2.gz LOAUNSSQTSTFBM-NSHDSACASA-N -1 0 271.320 2.301 50 0 CEAARM CC(C)[C@H]1OCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263577974 154129638 /nfs/dbraw/zinc/12/96/38/154129638.db2.gz SCVNICREZBEPLJ-UONOGXRCSA-N -1 0 291.347 2.062 50 0 CEAARM CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000002564714 169809905 /nfs/dbraw/zinc/80/99/05/169809905.db2.gz QONNUMLEACJFME-LLVKDONJSA-N -1 0 263.293 2.437 50 0 CEAARM CCOC(=O)c1ccccc1NC(=O)CC[C@@H](C)C(=O)[O-] ZINC000003646769 169905986 /nfs/dbraw/zinc/90/59/86/169905986.db2.gz UAMGDSZHJGUMJP-SNVBAGLBSA-N -1 0 293.319 2.303 50 0 CEAARM O=C([O-])C(O)(Cc1ccccc1)Cc1ccccc1 ZINC000003844661 169915100 /nfs/dbraw/zinc/91/51/00/169915100.db2.gz JHQYMQWWFIWNCS-UHFFFAOYSA-N -1 0 256.301 2.288 50 0 CEAARM O=C([O-])CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000003884670 169920120 /nfs/dbraw/zinc/92/01/20/169920120.db2.gz ZHXRDXTYPCPBTI-UHFFFAOYSA-N -1 0 283.283 2.301 50 0 in-vitro CEAARM COc1ccc(Cl)cc1S(=O)(=O)NC(C)(C)C ZINC000004867047 170033671 /nfs/dbraw/zinc/03/36/71/170033671.db2.gz BZSWSUYITCRPES-UHFFFAOYSA-N -1 0 277.773 2.425 50 0 CEAARM O=C([O-])c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000005253102 170080182 /nfs/dbraw/zinc/08/01/82/170080182.db2.gz XZRJODFUIOEELY-UHFFFAOYSA-N -1 0 263.680 2.248 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC000005518527 170107774 /nfs/dbraw/zinc/10/77/74/170107774.db2.gz NRJWQQXPQMTJHL-SNVBAGLBSA-N -1 0 253.685 2.029 50 0 CEAARM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1 ZINC000005955392 170162011 /nfs/dbraw/zinc/16/20/11/170162011.db2.gz HFDDPJHKIISNQP-YRNVUSSQSA-N -1 0 291.332 2.340 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccccc1OC(F)F ZINC000006699638 170228744 /nfs/dbraw/zinc/22/87/44/170228744.db2.gz LPMRXDIDSHESRZ-UHFFFAOYSA-N -1 0 259.208 2.091 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccco1 ZINC000006726350 170233317 /nfs/dbraw/zinc/23/33/17/170233317.db2.gz GFPXGNNCOYCBAW-IOCWDNCASA-N -1 0 277.320 2.033 50 0 CEAARM Cc1cccc(C)c1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000008026781 170314942 /nfs/dbraw/zinc/31/49/42/170314942.db2.gz GZGAATQFHTYZFB-UHFFFAOYSA-N -1 0 291.347 2.005 50 0 CEAARM O=S(=O)([N-]c1ncnc2ccccc21)c1cccs1 ZINC000008132335 170320583 /nfs/dbraw/zinc/32/05/83/170320583.db2.gz HXCJHGRKONBIKE-UHFFFAOYSA-N -1 0 291.357 2.492 50 0 CEAARM O=C([O-])CCSc1nnc(-c2ccc(F)cc2)o1 ZINC000008362626 170333349 /nfs/dbraw/zinc/33/33/49/170333349.db2.gz QCYBEHJQSYRMRG-UHFFFAOYSA-N -1 0 268.269 2.443 50 0 CEAARM O=C([O-])CNC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000008381689 170334152 /nfs/dbraw/zinc/33/41/52/170334152.db2.gz JJJQUSYYSVHRPP-VQHVLOKHSA-N -1 0 271.272 2.161 50 0 CEAARM O=C(C=C1SC(=O)NC1=O)Nc1ccccc1C(=O)[O-] ZINC000008995383 170360817 /nfs/dbraw/zinc/36/08/17/170360817.db2.gz BVKXMSGXYNTZQD-VMPITWQZSA-N -1 0 292.272 2.031 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000013167081 170538467 /nfs/dbraw/zinc/53/84/67/170538467.db2.gz YPOUIPKTMDWJJX-ZZXKWVIFSA-N -1 0 277.295 2.162 50 0 CEAARM CCCCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000019276529 170769635 /nfs/dbraw/zinc/76/96/35/170769635.db2.gz JROXMYGUCMIQQD-CQSZACIVSA-N -1 0 288.347 2.470 50 0 CEAARM C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000019281579 170771860 /nfs/dbraw/zinc/77/18/60/170771860.db2.gz DSSCFIPJBPCSNQ-RXMQYKEDSA-N -1 0 262.092 2.196 50 0 CEAARM C[C@@](NC(=O)NCc1ccccc1)(C(=O)[O-])c1ccco1 ZINC000019413135 170790473 /nfs/dbraw/zinc/79/04/73/170790473.db2.gz RYDPVYVLBSBCJL-HNNXBMFYSA-N -1 0 288.303 2.079 50 0 CEAARM C[C@@H](C(=O)Nc1ccc(F)c(F)c1)n1ccc(C(=O)[O-])n1 ZINC000020614831 171267881 /nfs/dbraw/zinc/26/78/81/171267881.db2.gz MDMZWRURTMOXTA-ZETCQYMHSA-N -1 0 295.245 2.059 50 0 CEAARM Cc1cccc([C@@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)c1 ZINC000020800688 171273259 /nfs/dbraw/zinc/27/32/59/171273259.db2.gz BQHVUWPWPPZONV-NSHDSACASA-N -1 0 297.310 2.294 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cn1C ZINC000021940705 171337912 /nfs/dbraw/zinc/33/79/12/171337912.db2.gz KNTRWSUKWBPVSS-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM O=C([O-])Cc1csc(NC(=O)NC2CCCCC2)n1 ZINC000021961771 171342753 /nfs/dbraw/zinc/34/27/53/171342753.db2.gz JOMOUFOHAAQLLX-UHFFFAOYSA-N -1 0 283.353 2.224 50 0 CEAARM O=C([O-])[C@H]1CCCN1Cc1coc(-c2cccs2)n1 ZINC000035301400 172114864 /nfs/dbraw/zinc/11/48/64/172114864.db2.gz NKIWXDQNAYWFJT-SNVBAGLBSA-N -1 0 278.333 2.452 50 0 CEAARM O=C([O-])[C@H]1CCCN1Cc1cc(-c2ccccc2)no1 ZINC000035303488 172117069 /nfs/dbraw/zinc/11/70/69/172117069.db2.gz ICYUVUPWXDOXPG-CQSZACIVSA-N -1 0 272.304 2.391 50 0 CEAARM CCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000035686317 172354318 /nfs/dbraw/zinc/35/43/18/172354318.db2.gz DVUCQPOBFPXJKK-JTQLQIEISA-N -1 0 261.277 2.416 50 0 CEAARM CCOC(=O)c1cc2c(c(C(=O)[O-])c1O)CCCC2 ZINC000036294208 172589297 /nfs/dbraw/zinc/58/92/97/172589297.db2.gz NQDPXKMLMJUBIJ-UHFFFAOYSA-N -1 0 264.277 2.146 50 0 CEAARM CCc1sc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1C ZINC000036966248 172833983 /nfs/dbraw/zinc/83/39/83/172833983.db2.gz QGLMEBBRLQRTNF-SECBINFHSA-N -1 0 267.350 2.308 50 0 CEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000037312371 173114981 /nfs/dbraw/zinc/11/49/81/173114981.db2.gz FFOAAQAJVAKQIK-UHFFFAOYSA-N -1 0 275.308 2.315 50 0 CEAARM Cc1ccccc1CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037329694 173131005 /nfs/dbraw/zinc/13/10/05/173131005.db2.gz MZIBLJHCBIWWGJ-UHFFFAOYSA-N -1 0 261.321 2.051 50 0 CEAARM O=C([O-])CSCc1cc(Cl)c2c(c1)OCCO2 ZINC000037413309 173189926 /nfs/dbraw/zinc/18/99/26/173189926.db2.gz RGTREGFMSQJCET-UHFFFAOYSA-N -1 0 274.725 2.429 50 0 CEAARM O=C([O-])CCN(C(=O)CCc1ccc(F)cc1)C1CC1 ZINC000037582640 173529461 /nfs/dbraw/zinc/52/94/61/173529461.db2.gz GIRAKXMXMXHDAQ-UHFFFAOYSA-N -1 0 279.311 2.224 50 0 CEAARM COc1ccc([C@@H](O)C(=O)[O-])cc1OCc1ccccc1 ZINC000040166192 174197552 /nfs/dbraw/zinc/19/75/52/174197552.db2.gz ZRUVFIJDPCIMFS-OAHLLOKOSA-N -1 0 288.299 2.392 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1csc(C2CC2)n1 ZINC000119545656 414781643 /nfs/dbraw/zinc/78/16/43/414781643.db2.gz IMKFXAKXSFDOFZ-ZDUSSCGKSA-N -1 0 282.365 2.394 50 0 CEAARM Cc1nc(C)c(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])o1 ZINC000120183887 414783884 /nfs/dbraw/zinc/78/38/84/414783884.db2.gz IDNPTKVAUQHWSH-WDEREUQCSA-N -1 0 280.324 2.055 50 0 CEAARM O=C([O-])C1(NC(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000203653341 414840995 /nfs/dbraw/zinc/84/09/95/414840995.db2.gz YKFSZARSMMZEHJ-UHFFFAOYSA-N -1 0 292.093 2.480 50 0 CEAARM Cc1cc(F)ccc1C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000663153804 414873884 /nfs/dbraw/zinc/87/38/84/414873884.db2.gz SHLFFFUGANUBRT-CYBMUJFWSA-N -1 0 279.311 2.365 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(O)c1 ZINC000043583750 175070649 /nfs/dbraw/zinc/07/06/49/175070649.db2.gz ZMICSROBPHWAFB-LBPRGKRZSA-N -1 0 291.347 2.418 50 0 CEAARM O=C([O-])Cn1nc(-c2ccc3ccccc3c2)ccc1=O ZINC000045951683 175388241 /nfs/dbraw/zinc/38/82/41/175388241.db2.gz SOWAWMMWUICAHE-UHFFFAOYSA-N -1 0 280.283 2.148 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(CCCc2ccc(Cl)cc2)C1 ZINC000049879019 175503331 /nfs/dbraw/zinc/50/33/31/175503331.db2.gz IRJNJJNCPAKVTR-LLVKDONJSA-N -1 0 281.739 2.206 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccco1 ZINC000050921099 175519957 /nfs/dbraw/zinc/51/99/57/175519957.db2.gz JXNBJQRIAHOFCA-SNVBAGLBSA-N -1 0 251.282 2.139 50 0 CEAARM CC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000263570478 287312127 /nfs/dbraw/zinc/31/21/27/287312127.db2.gz IGTHIYGMMHKQOS-MCIONIFRSA-N -1 0 273.332 2.071 50 0 CEAARM COc1ccc(CNC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000070666190 176000160 /nfs/dbraw/zinc/00/01/60/176000160.db2.gz WTHGOFLVTQWAJO-UHFFFAOYSA-N -1 0 299.326 2.252 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000071285644 176110028 /nfs/dbraw/zinc/11/00/28/176110028.db2.gz QUNZOAOWGMLKQX-STQMWFEESA-N -1 0 299.330 2.372 50 0 CEAARM CCNC(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072170586 176333149 /nfs/dbraw/zinc/33/31/49/176333149.db2.gz CTMKIVKLTJVOSX-UHFFFAOYSA-N -1 0 290.363 2.369 50 0 CEAARM CC[C@H](C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])on1 ZINC000136468122 287785518 /nfs/dbraw/zinc/78/55/18/287785518.db2.gz HUWIIUJWKBHGIZ-GXSJLCMTSA-N -1 0 280.324 2.267 50 0 CEAARM CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000009195171 279187667 /nfs/dbraw/zinc/18/76/67/279187667.db2.gz HZXHZEICTRNPKQ-UTUOFQBUSA-N -1 0 255.358 2.428 50 0 CEAARM CC(C)NC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000037591160 279583329 /nfs/dbraw/zinc/58/33/29/279583329.db2.gz ACRBDYZUTLPGGC-UHFFFAOYSA-N -1 0 262.309 2.255 50 0 CEAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000000105351 279894858 /nfs/dbraw/zinc/89/48/58/279894858.db2.gz CANZBRDGRHNSGZ-LLVKDONJSA-N -1 0 251.282 2.022 50 0 CEAARM CC(C)[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)c1ccccc1F ZINC000035111867 280099497 /nfs/dbraw/zinc/09/94/97/280099497.db2.gz MKSUAKXPYFNVQD-YPMHNXCESA-N -1 0 297.351 2.450 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000218455400 280210635 /nfs/dbraw/zinc/21/06/35/280210635.db2.gz RQADHPQSGCCVOD-VSKVDJIOSA-N -1 0 288.347 2.198 50 0 CEAARM CO[C@@]1(C)CCCN(c2cccc(C(=O)[O-])n2)CC1 ZINC000263437246 294134264 /nfs/dbraw/zinc/13/42/64/294134264.db2.gz VRWDNROYGQUQGZ-AWEZNQCLSA-N -1 0 264.325 2.175 50 0 CEAARM COc1cc(Br)c2oc(=O)c(C(=O)[O-])cc2c1 ZINC000001396005 294921427 /nfs/dbraw/zinc/92/14/27/294921427.db2.gz OQFNMESQAWOJGH-UHFFFAOYSA-N -1 0 299.076 2.262 50 0 CEAARM COc1ccc(Cl)c2c1C(=O)C[C@@H](C(=O)[O-])C2 ZINC000044122624 295143431 /nfs/dbraw/zinc/14/34/31/295143431.db2.gz GALVPYLNIOUWTE-LURJTMIESA-N -1 0 254.669 2.178 50 0 CEAARM C[C@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CCCCCC2)CCO1 ZINC000262752273 300402939 /nfs/dbraw/zinc/40/29/39/300402939.db2.gz JLCAZNLFHBMSQS-RYUDHWBXSA-N -1 0 283.368 2.095 50 0 CEAARM Cc1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cnn1C ZINC000017022619 300979710 /nfs/dbraw/zinc/97/97/10/300979710.db2.gz WWRRDDDDGJEAFR-RYUDHWBXSA-N -1 0 291.351 2.114 50 0 CEAARM Cc1cc(F)ccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263530423 301311568 /nfs/dbraw/zinc/31/15/68/301311568.db2.gz WFHFUHHRERUXMF-GHMZBOCLSA-N -1 0 279.311 2.459 50 0 CEAARM Cc1ccn2c(Br)c(C(=O)[O-])nc2c1 ZINC000095910882 302258750 /nfs/dbraw/zinc/25/87/50/302258750.db2.gz WJMIRFZVHMHRHU-UHFFFAOYSA-N -1 0 255.071 2.103 50 0 CEAARM Cc1nc2c(s1)[C@H](N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-])CCC2 ZINC000268885715 302657134 /nfs/dbraw/zinc/65/71/34/302657134.db2.gz GBUBDPPKJOFEPP-FXPVBKGRSA-N -1 0 294.376 2.008 50 0 CEAARM CC[C@@H](C)C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000195555634 321821352 /nfs/dbraw/zinc/82/13/52/321821352.db2.gz AYVKIAJWRMMHOX-HTRCEHHLSA-N -1 0 270.354 2.373 50 0 CEAARM COc1ccc(CC[C@@H](C)[NH2+]Cc2n[n-]c(=N)s2)cc1 ZINC000534656691 328340257 /nfs/dbraw/zinc/34/02/57/328340257.db2.gz LHMRRPLBIBSOIC-SNVBAGLBSA-N -1 0 292.408 2.070 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000584908391 601253753 /nfs/dbraw/zinc/25/37/53/601253753.db2.gz MHTSBSRVMIPCPG-KKUMJFAQSA-N -1 0 285.343 2.071 50 0 CEAARM Cc1cc(C)nc([N-]c2nc(Cl)nc(Cl)n2)n1 ZINC000004948615 628748409 /nfs/dbraw/zinc/74/84/09/628748409.db2.gz WRLFUILGXVECKY-UHFFFAOYSA-N -1 0 271.111 2.329 50 0 CEAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CC=CCC1 ZINC000263506964 631452779 /nfs/dbraw/zinc/45/27/79/631452779.db2.gz MHANUQUIRBUWHX-GRYCIOLGSA-N -1 0 251.326 2.054 50 0 CEAARM O=C([O-])c1cn2c(n1)[C@@H](c1ccccc1)N(CC1CC1)CC2 ZINC000675016620 803774271 /nfs/dbraw/zinc/77/42/71/803774271.db2.gz YPVRJXUXAWGCHR-OAHLLOKOSA-N -1 0 297.358 2.396 50 0 CEAARM CCn1nc(CC(C)C)nc1-c1nc2ccccc2c(=O)[n-]1 ZINC000952864465 815077975 /nfs/dbraw/zinc/07/79/75/815077975.db2.gz ZCTTZWKRKPULPZ-UHFFFAOYSA-N -1 0 297.362 2.400 50 0 CEAARM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccon2)c1 ZINC000096500771 230384564 /nfs/dbraw/zinc/38/45/64/230384564.db2.gz ZLKYCLYQQWAZBU-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/35/21/97/343352197.db2.gz YJBPPIAVQODVQY-UHFFFAOYSA-N -1 0 285.708 2.052 50 0 CEAARM C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(C)(C)C ZINC000076094964 343880201 /nfs/dbraw/zinc/88/02/01/343880201.db2.gz SNVSUOHKGWYJBC-ZCFIWIBFSA-N -1 0 291.467 2.470 50 0 CEAARM Cc1ccc(/C=C\C(=O)N[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000098042577 344246891 /nfs/dbraw/zinc/24/68/91/344246891.db2.gz AAVZVLOMHYIELC-DGMVEKRQSA-N -1 0 261.321 2.296 50 0 CEAARM CC(C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000164294510 344472202 /nfs/dbraw/zinc/47/22/02/344472202.db2.gz LETSFCCALJTPBC-NXEZZACHSA-N -1 0 257.330 2.353 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)/C=C/c2ccccn2)c1 ZINC000170672203 344487799 /nfs/dbraw/zinc/48/77/99/344487799.db2.gz AVAJQXBAYPDOER-BQYQJAHWSA-N -1 0 282.299 2.109 50 0 CEAARM Cc1ccc(C)c(-c2nccc(NCC(=O)[O-])n2)c1 ZINC000215608840 344534229 /nfs/dbraw/zinc/53/42/29/344534229.db2.gz ILMITMIIKXJRLB-UHFFFAOYSA-N -1 0 257.293 2.257 50 0 CEAARM O=C([O-])[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000050919496 362423769 /nfs/dbraw/zinc/42/37/69/362423769.db2.gz HMFKIOPBOABZMB-SNVBAGLBSA-N -1 0 267.712 2.163 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000268896012 344664809 /nfs/dbraw/zinc/66/48/09/344664809.db2.gz CBJLAGHQOOJLRS-GFCCVEGCSA-N -1 0 263.337 2.056 50 0 CEAARM C[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000054310627 362527733 /nfs/dbraw/zinc/52/77/33/362527733.db2.gz IVCYVLRDCNDPQX-MRVPVSSYSA-N -1 0 289.253 2.085 50 0 CEAARM C[C@@H](CN(C(=O)/C=C/C(C)(C)C)C1CC1)C(=O)[O-] ZINC000097039233 185510102 /nfs/dbraw/zinc/51/01/02/185510102.db2.gz MXGOUPVLZQQGEG-JARNTUPDSA-N -1 0 253.342 2.300 50 0 CEAARM CN(CCc1ccccc1)C(=O)c1cc(C(=O)[O-])co1 ZINC000097115105 185539467 /nfs/dbraw/zinc/53/94/67/185539467.db2.gz PIFJPFYMHJDADH-UHFFFAOYSA-N -1 0 273.288 2.293 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(Cc2csc3ccccc23)C1 ZINC000058282689 362618620 /nfs/dbraw/zinc/61/86/20/362618620.db2.gz FXBSWBHNUVYUBS-VIFPVBQESA-N -1 0 275.329 2.334 50 0 CEAARM C[C@@]1(C(=O)[N-]O[C@H]2CCCCO2)CC1(Cl)Cl ZINC000058377057 362625129 /nfs/dbraw/zinc/62/51/29/362625129.db2.gz PBQOPVGRSYAELR-CBAPKCEASA-N -1 0 268.140 2.145 50 0 CEAARM CCSCC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000059139140 362646604 /nfs/dbraw/zinc/64/66/04/362646604.db2.gz XTAPCWRFUZKDJM-NSHDSACASA-N -1 0 267.350 2.013 50 0 CEAARM CC(C)C[C@H](NC(=O)Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000059984350 362654994 /nfs/dbraw/zinc/65/49/94/362654994.db2.gz LNSCDGNSMHDICP-LBPRGKRZSA-N -1 0 285.290 2.123 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000059984352 362655059 /nfs/dbraw/zinc/65/50/59/362655059.db2.gz XRAAXEWXBKWMHI-SDBXPKJASA-N -1 0 285.290 2.123 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000084299901 539503554 /nfs/dbraw/zinc/50/35/54/539503554.db2.gz IUQFRNOACLZZOH-ZJUUUORDSA-N -1 0 257.330 2.402 50 0 CEAARM O=C([O-])Cc1ccccc1NC(=O)c1cc(C2CC2)on1 ZINC000060583667 362666303 /nfs/dbraw/zinc/66/63/03/362666303.db2.gz HLTXBBKBPQDEHS-UHFFFAOYSA-N -1 0 286.287 2.431 50 0 CEAARM CC(C)c1c(C(=O)[O-])nnn1Cc1ccc(Cl)nc1 ZINC000085367415 179037817 /nfs/dbraw/zinc/03/78/17/179037817.db2.gz LGEWPFRHJPPSPG-UHFFFAOYSA-N -1 0 280.715 2.196 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)N1CCc2ccccc21 ZINC000061826128 362689950 /nfs/dbraw/zinc/68/99/50/362689950.db2.gz BUXSSSACFZLPLB-UHFFFAOYSA-N -1 0 261.321 2.467 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2Cl)C1 ZINC000062118840 362709271 /nfs/dbraw/zinc/70/92/71/362709271.db2.gz NBJNDYQYMSYNLW-ZCFIWIBFSA-N -1 0 289.665 2.165 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000062118180 362709322 /nfs/dbraw/zinc/70/93/22/362709322.db2.gz NMNIPDMDUYGPEO-SNVBAGLBSA-N -1 0 293.750 2.305 50 0 CEAARM Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000062912722 362732764 /nfs/dbraw/zinc/73/27/64/362732764.db2.gz RTDDBKWELKXHBW-AWEZNQCLSA-N -1 0 265.284 2.071 50 0 CEAARM Cc1cc(-n2nnc(C(=O)[O-])c2-c2ccccn2)ccc1F ZINC000065288256 362808244 /nfs/dbraw/zinc/80/82/44/362808244.db2.gz 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/nfs/dbraw/zinc/09/24/40/363092440.db2.gz CWBCAXPMKZLXFR-KGLIPLIRSA-N -1 0 275.348 2.215 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCC3)o2)cc1 ZINC000071772925 363113434 /nfs/dbraw/zinc/11/34/34/363113434.db2.gz XDBPIFUYPXSQNP-UHFFFAOYSA-N -1 0 293.348 2.446 50 0 CEAARM C[S@@](=O)C1=C([O-])c2ccc3ccccc3c2OC1 ZINC000071771928 363113484 /nfs/dbraw/zinc/11/34/84/363113484.db2.gz UBCMEXBMQLJFQR-XIKOKIGWSA-N -1 0 260.314 2.162 50 0 CEAARM O=C([O-])C1=NC(=O)N[C@@H](c2cccc3ccccc32)C1 ZINC000003883252 304036092 /nfs/dbraw/zinc/03/60/92/304036092.db2.gz VYKSQCXDJUBCKW-GFCCVEGCSA-N -1 0 268.272 2.162 50 0 CEAARM O=C([O-])C1CC2(C1)CC(=O)Nc1c3ccccc3[nH]c12 ZINC000067946260 304036836 /nfs/dbraw/zinc/03/68/36/304036836.db2.gz JBTZFZDNELCMQX-UHFFFAOYSA-N -1 0 270.288 2.243 50 0 CEAARM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1C ZINC000131974725 366107894 /nfs/dbraw/zinc/10/78/94/366107894.db2.gz OEEINNBYJUHEAF-LBPRGKRZSA-N -1 0 284.315 2.162 50 0 CEAARM CC(C)[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O 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COc1ccc([C@@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136165247 366499824 /nfs/dbraw/zinc/49/98/24/366499824.db2.gz BWONFWYEXVCDRH-DGCLKSJQSA-N -1 0 291.347 2.122 50 0 CEAARM O=C([O-])CN(C(=O)c1coc(-c2ccccc2)n1)C1CC1 ZINC000138311809 366551856 /nfs/dbraw/zinc/55/18/56/366551856.db2.gz BNRFOTDUZUMHNI-UHFFFAOYSA-N -1 0 286.287 2.031 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N([C@@H]2CCSc3ccccc32)C1 ZINC000048250944 304097910 /nfs/dbraw/zinc/09/79/10/304097910.db2.gz FDJMZGYKAPZUQR-MWLCHTKSSA-N -1 0 277.345 2.157 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C1CC1 ZINC000299741740 200853217 /nfs/dbraw/zinc/85/32/17/200853217.db2.gz AKCCSOCJOHYFJO-UPJWGTAASA-N -1 0 277.295 2.114 50 0 CEAARM CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299747309 200854519 /nfs/dbraw/zinc/85/45/19/200854519.db2.gz CONMMDYWMUSDQQ-NXEZZACHSA-N -1 0 285.702 2.158 50 0 CEAARM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N(C)CC(=O)[O-])cc1 ZINC000299749612 200857003 /nfs/dbraw/zinc/85/70/03/200857003.db2.gz 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BHFKERBWGWXNFK-HNNXBMFYSA-N -1 0 299.326 2.121 50 0 CEAARM Cc1ccccc1Cn1nnc(-c2cccc(C(=O)[O-])c2)n1 ZINC000000613066 361189946 /nfs/dbraw/zinc/18/99/46/361189946.db2.gz LUJQDVNXLODIMH-UHFFFAOYSA-N -1 0 294.314 2.395 50 0 CEAARM O=C([O-])CSCC(=O)Nc1ccc(Cl)cc1 ZINC000000874248 361195095 /nfs/dbraw/zinc/19/50/95/361195095.db2.gz FWDHMMXOGXPPLJ-UHFFFAOYSA-N -1 0 259.714 2.096 50 0 CEAARM CSCC[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC000002107137 361227671 /nfs/dbraw/zinc/22/76/71/361227671.db2.gz SUGPXHLBKMNFKG-PWSUYJOCSA-N -1 0 296.392 2.253 50 0 CEAARM Nc1cccc(Nc2cc(=O)n(-c3ccccc3)[nH]2)c1 ZINC000002163810 361229263 /nfs/dbraw/zinc/22/92/63/361229263.db2.gz YGCYLYRGUCMWMI-UHFFFAOYSA-N -1 0 266.304 2.431 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccco1 ZINC000002385912 361234661 /nfs/dbraw/zinc/23/46/61/361234661.db2.gz WFTLLVUGUYBNDJ-SECBINFHSA-N -1 0 269.297 2.190 50 0 CEAARM CCCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000003356899 361276340 /nfs/dbraw/zinc/27/63/40/361276340.db2.gz UCVWCZARJPACAT-ZFWWWQNUSA-N -1 0 291.347 2.470 50 0 CEAARM COc1ccc(C)cc1NC(=O)CCCC(=O)[O-] ZINC000003080972 361262440 /nfs/dbraw/zinc/26/24/40/361262440.db2.gz MWGRJJYMVXSRAW-UHFFFAOYSA-N -1 0 251.282 2.197 50 0 CEAARM CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)[O-] ZINC000004100538 361300341 /nfs/dbraw/zinc/30/03/41/361300341.db2.gz ASWLZJZGOOUBAB-ILDUYXDCSA-N -1 0 273.398 2.135 50 0 CEAARM CCOCCC1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCCC1 ZINC000237036933 370682228 /nfs/dbraw/zinc/68/22/28/370682228.db2.gz SNOYNVWTSNVPMW-CYBMUJFWSA-N -1 0 297.395 2.297 50 0 CEAARM CC(C)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005426144 361331784 /nfs/dbraw/zinc/33/17/84/361331784.db2.gz BWOLLHHLLRKFQZ-OAHLLOKOSA-N -1 0 288.347 2.326 50 0 CEAARM Nc1cc(-c2ccccc2)nn1-c1nc(C(=O)[O-])cs1 ZINC000005243833 361332663 /nfs/dbraw/zinc/33/26/63/361332663.db2.gz QYXVPNJZNICAHI-UHFFFAOYSA-N -1 0 286.316 2.276 50 0 CEAARM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000237149824 370694463 /nfs/dbraw/zinc/69/44/63/370694463.db2.gz XEJVVVLWOWXWCT-HTQZYQBOSA-N -1 0 285.702 2.126 50 0 CEAARM CC[C@@H](C)n1c2ccccc2nc1S(=O)(=O)[O-] ZINC000006366355 361336833 /nfs/dbraw/zinc/33/68/33/361336833.db2.gz YKFFZGDBXRTQIS-MRVPVSSYSA-N -1 0 254.311 2.254 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000008191007 361341704 /nfs/dbraw/zinc/34/17/04/361341704.db2.gz HFSSAWJPQSZVAL-VXGBXAGGSA-N -1 0 287.315 2.373 50 0 CEAARM CCc1[n-]n2c(nc(COC)cc2=O)c1-c1ccccc1 ZINC000010338611 361350985 /nfs/dbraw/zinc/35/09/85/361350985.db2.gz UDMUKWFKVVTTFD-UHFFFAOYSA-N -1 0 283.331 2.398 50 0 CEAARM CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)[O-] ZINC000011890282 361367448 /nfs/dbraw/zinc/36/74/48/361367448.db2.gz QKOOHXWOVKRRAI-ZDUSSCGKSA-N -1 0 263.337 2.235 50 0 CEAARM [O-][C@@]1(C(F)(F)F)Oc2ccccc2-c2oncc21 ZINC000012377177 361380705 /nfs/dbraw/zinc/38/07/05/361380705.db2.gz DZPLMKZFXNLOFF-SNVBAGLBSA-N -1 0 257.167 2.441 50 0 CEAARM COCc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(OC)cc1 ZINC000012862211 361403097 /nfs/dbraw/zinc/40/30/97/361403097.db2.gz SFYQQOVAPQMEIQ-UHFFFAOYSA-N -1 0 299.330 2.153 50 0 CEAARM C[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000013418633 361428089 /nfs/dbraw/zinc/42/80/89/361428089.db2.gz WFEVZHDBLIUTCW-GFCCVEGCSA-N -1 0 299.326 2.469 50 0 CEAARM CC[C@@H](C)NC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013034432 361416683 /nfs/dbraw/zinc/41/66/83/361416683.db2.gz LICBKNGZNYZAQX-MRVPVSSYSA-N -1 0 285.727 2.332 50 0 CEAARM O=C(c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccc1[O-] ZINC000015525262 361474674 /nfs/dbraw/zinc/47/46/74/361474674.db2.gz IVKRABVTJBRFHR-UHFFFAOYSA-N -1 0 284.315 2.187 50 0 CEAARM Cc1occc1C(=O)NCCCCCCC(=O)[O-] ZINC000019517980 361541591 /nfs/dbraw/zinc/54/15/91/361541591.db2.gz NKFVYEVLNNMQTN-UHFFFAOYSA-N -1 0 253.298 2.353 50 0 CEAARM Cc1ccsc1CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000028901145 361678300 /nfs/dbraw/zinc/67/83/00/361678300.db2.gz JQZJQDSTRPJYBA-MNOVXSKESA-N -1 0 279.361 2.340 50 0 CEAARM O=C([O-])/C=C\C(=O)Nc1ccccc1Br ZINC000030725489 361703124 /nfs/dbraw/zinc/70/31/24/361703124.db2.gz CJHBOIXAXNGQNF-WAYWQWQTSA-N -1 0 270.082 2.028 50 0 CEAARM O=C([O-])CCCNc1ncnc2c1cnn2-c1ccccc1 ZINC000031819064 361719401 /nfs/dbraw/zinc/71/94/01/361719401.db2.gz HYEHBTQPNQROIP-UHFFFAOYSA-N -1 0 297.318 2.092 50 0 CEAARM COc1ncccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000031318617 361710825 /nfs/dbraw/zinc/71/08/25/361710825.db2.gz RWKMXLHPIJLFMU-UHFFFAOYSA-N -1 0 292.722 2.379 50 0 CEAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])Cc1cccnc1 ZINC000032126577 361730252 /nfs/dbraw/zinc/73/02/52/361730252.db2.gz TWBURXQKKHZJID-UHFFFAOYSA-N -1 0 280.324 2.293 50 0 CEAARM Cc1nc2cc(C(=O)[O-])cc(Br)c2n1C ZINC000084648205 363818125 /nfs/dbraw/zinc/81/81/25/363818125.db2.gz LXENVJKUNCQATJ-UHFFFAOYSA-N -1 0 269.098 2.342 50 0 CEAARM CC(C)(CC(=O)N1CCc2sccc2C1)C(=O)[O-] ZINC000087724300 363868814 /nfs/dbraw/zinc/86/88/14/363868814.db2.gz QEAQNPOISJZYFV-UHFFFAOYSA-N -1 0 267.350 2.134 50 0 CEAARM COc1cccc(Cl)c1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237265325 370705916 /nfs/dbraw/zinc/70/59/16/370705916.db2.gz XVVFRKBEKPEXJA-AWEZNQCLSA-N -1 0 297.738 2.285 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000237224610 370703173 /nfs/dbraw/zinc/70/31/73/370703173.db2.gz WCFTZHYPFNZNKV-QWHCGFSZSA-N -1 0 261.321 2.032 50 0 CEAARM C[C@H](Cc1ccccc1F)C(=O)N(CC(=O)[O-])C1CC1 ZINC000237557408 370732411 /nfs/dbraw/zinc/73/24/11/370732411.db2.gz WTQYTGKKHSHDRI-SNVBAGLBSA-N -1 0 279.311 2.080 50 0 CEAARM C[C@H](OCC1CC1)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237566117 370733633 /nfs/dbraw/zinc/73/36/33/370733633.db2.gz FIZLYLAXSUQAMZ-WCQYABFASA-N -1 0 283.368 2.047 50 0 CEAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237409721 370718860 /nfs/dbraw/zinc/71/88/60/370718860.db2.gz KCIHFTQECVFOHX-CABZTGNLSA-N -1 0 265.284 2.005 50 0 CEAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000237842494 370755020 /nfs/dbraw/zinc/75/50/20/370755020.db2.gz SAJAICCPNJTMEV-UHFFFAOYSA-N -1 0 291.347 2.091 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCOc1ccccc1F ZINC000238060652 370768102 /nfs/dbraw/zinc/76/81/02/370768102.db2.gz MECGNASTSVHZDP-LBPRGKRZSA-N -1 0 295.310 2.060 50 0 CEAARM CCCc1nnc([N-][C@H](C(=O)N(C)C)c2ccccc2)o1 ZINC000095382146 364353418 /nfs/dbraw/zinc/35/34/18/364353418.db2.gz KWOOQLDOURDLSJ-ZDUSSCGKSA-N -1 0 288.351 2.264 50 0 CEAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N1CCSCC1 ZINC000095390071 364354544 /nfs/dbraw/zinc/35/45/44/364354544.db2.gz KCOYVDLEUPXENO-GFCCVEGCSA-N -1 0 285.340 2.009 50 0 CEAARM CCCS(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000095447999 364383135 /nfs/dbraw/zinc/38/31/35/364383135.db2.gz CAQPUKPKTBCAJY-UHFFFAOYSA-N -1 0 271.367 2.290 50 0 CEAARM CCSCCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000095970793 364394572 /nfs/dbraw/zinc/39/45/72/364394572.db2.gz DTUMOPVGCSBWRF-LBPRGKRZSA-N -1 0 281.377 2.114 50 0 CEAARM CCc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1cnn(C)c1 ZINC000095363463 364346737 /nfs/dbraw/zinc/34/67/37/364346737.db2.gz XIXWHWGPULNVFK-HNNXBMFYSA-N -1 0 287.363 2.240 50 0 CEAARM Cc1ccc(O)c(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000097140854 364463159 /nfs/dbraw/zinc/46/31/59/364463159.db2.gz OUQFQEHJCOTHTJ-UHFFFAOYSA-N -1 0 280.230 2.332 50 0 CEAARM C[C@@H](c1nccs1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097785555 364519767 /nfs/dbraw/zinc/51/97/67/364519767.db2.gz KTHVIEHVXVRZSR-JTQLQIEISA-N -1 0 294.380 2.007 50 0 CEAARM CCN(Cc1c(F)cccc1F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000241316711 370782245 /nfs/dbraw/zinc/78/22/45/370782245.db2.gz LUHOYQIZNBTAMM-DTWKUNHWSA-N -1 0 283.274 2.034 50 0 CEAARM CC[C@@H]1C=CCN1C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000097642091 364514344 /nfs/dbraw/zinc/51/43/44/364514344.db2.gz SWYHIRLMGZLSPP-GFCCVEGCSA-N -1 0 275.304 2.184 50 0 CEAARM O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc([S-])cc1 ZINC000113628808 364906650 /nfs/dbraw/zinc/90/66/50/364906650.db2.gz SLNFEPNONCVPAP-RYUDHWBXSA-N -1 0 259.330 2.431 50 0 CEAARM CSCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000212726617 189689235 /nfs/dbraw/zinc/68/92/35/189689235.db2.gz BDAHPENUIZTSGP-DAXSKMNVSA-N -1 0 251.307 2.086 50 0 CEAARM CN(Cc1ccc(F)cc1Cl)C(=O)C1(C(=O)[O-])CC1 ZINC000118967770 365192793 /nfs/dbraw/zinc/19/27/93/365192793.db2.gz ZFPAIFQOWIKANP-UHFFFAOYSA-N -1 0 285.702 2.302 50 0 CEAARM COc1cccc2ccc(CN3CCC[C@H]3C(=O)[O-])nc21 ZINC000161178000 367065586 /nfs/dbraw/zinc/06/55/86/367065586.db2.gz QNAJTOWLURKINP-ZDUSSCGKSA-N -1 0 286.331 2.292 50 0 CEAARM Cc1cc(C)n2cc(CS[C@H](C)C(=O)[O-])nc2n1 ZINC000169884382 367373112 /nfs/dbraw/zinc/37/31/12/367373112.db2.gz HAKKMTBVANHGNK-SECBINFHSA-N -1 0 265.338 2.052 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cscn1 ZINC000108484057 304142822 /nfs/dbraw/zinc/14/28/22/304142822.db2.gz INSBBVVHJURLMY-LSJOCFKGSA-N -1 0 280.349 2.001 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2C(=O)N1CCc1ccccc1 ZINC000005034167 304151531 /nfs/dbraw/zinc/15/15/31/304151531.db2.gz MTJXEPLFNCDCIO-INIZCTEOSA-N -1 0 295.338 2.381 50 0 CEAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000190484211 369627858 /nfs/dbraw/zinc/62/78/58/369627858.db2.gz HKWYOZPAKUPXQK-BXKDBHETSA-N -1 0 294.351 2.108 50 0 CEAARM O=S(=O)(CCOCc1ccccc1)[N-]c1nccs1 ZINC000223454655 370266015 /nfs/dbraw/zinc/26/60/15/370266015.db2.gz DHEKYGRFZNPROJ-UHFFFAOYSA-N -1 0 298.389 2.102 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000224891625 370282530 /nfs/dbraw/zinc/28/25/30/370282530.db2.gz VBUCCXPSYCGELP-ZOBORPQBSA-N -1 0 298.427 2.112 50 0 CEAARM COc1ccnc(NC(=O)c2cc(C3CC3)no2)c1 ZINC000225667097 370311111 /nfs/dbraw/zinc/31/11/11/370311111.db2.gz TVORGFRKTDOCBM-UHFFFAOYSA-N -1 0 259.265 2.208 50 0 CEAARM Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC(=O)[O-] ZINC000236641758 189836462 /nfs/dbraw/zinc/83/64/62/189836462.db2.gz GTCGBWNSZYOEGP-NSHDSACASA-N -1 0 278.352 2.266 50 0 CEAARM CS(=O)(=O)[N-]c1nc(Cc2ccccc2)cs1 ZINC000129997527 321697927 /nfs/dbraw/zinc/69/79/27/321697927.db2.gz VVFUCILQCALZBK-UHFFFAOYSA-N -1 0 268.363 2.105 50 0 CEAARM CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1csc(N)n1 ZINC000254381153 371535868 /nfs/dbraw/zinc/53/58/68/371535868.db2.gz KIHTXCCKRZDXFQ-UHFFFAOYSA-N -1 0 276.321 2.260 50 0 CEAARM CCc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC000268933155 372292390 /nfs/dbraw/zinc/29/23/90/372292390.db2.gz ZIOYJFAHVRIYTH-TUAOUCFPSA-N -1 0 277.320 2.226 50 0 CEAARM Cc1nc(C(F)(F)F)ccc1C(=O)NC(C)(C)C(=O)[O-] ZINC000237565836 189881742 /nfs/dbraw/zinc/88/17/42/189881742.db2.gz BKJXUHICTAJHEK-UHFFFAOYSA-N -1 0 290.241 2.002 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000045922879 304174494 /nfs/dbraw/zinc/17/44/94/304174494.db2.gz YVONMGVOEXRIGB-AAEUAGOBSA-N -1 0 279.723 2.477 50 0 CEAARM CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000262054886 190047599 /nfs/dbraw/zinc/04/75/99/190047599.db2.gz CFRSLZKZPUBHOR-KBPBESRZSA-N -1 0 291.347 2.176 50 0 CEAARM Cc1ccc(N(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1Cl ZINC000262096435 190048283 /nfs/dbraw/zinc/04/82/83/190048283.db2.gz IOXBDTPVXFDOJF-VHSXEESVSA-N -1 0 267.712 2.332 50 0 CEAARM Cc1ccnc(-c2cccc(NC(=O)C3(C(=O)[O-])CC3)c2)n1 ZINC000262263707 190051488 /nfs/dbraw/zinc/05/14/88/190051488.db2.gz SSVCRVDFVSFHAV-UHFFFAOYSA-N -1 0 297.314 2.255 50 0 CEAARM COc1cc(NC(=O)CC2CCOCC2)ccc1C(=O)[O-] ZINC000262922675 190064762 /nfs/dbraw/zinc/06/47/62/190064762.db2.gz KPNVDVPWQGBFRC-UHFFFAOYSA-N -1 0 293.319 2.149 50 0 CEAARM CN(C(=O)[C@@H]1CC=CCC1)c1ccc(OCC(=O)[O-])cc1 ZINC000262929272 190065083 /nfs/dbraw/zinc/06/50/83/190065083.db2.gz FTTJJLIRWQDIPJ-GFCCVEGCSA-N -1 0 289.331 2.469 50 0 CEAARM COc1cc(NC(=O)COC2CCCC2)ccc1C(=O)[O-] ZINC000263003449 190065716 /nfs/dbraw/zinc/06/57/16/190065716.db2.gz RKRKBKZHBNHUCC-UHFFFAOYSA-N -1 0 293.319 2.291 50 0 CEAARM C[C@@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccnc1 ZINC000262735642 190061742 /nfs/dbraw/zinc/06/17/42/190061742.db2.gz VJMLILWTNXVKLQ-IJLUTSLNSA-N -1 0 276.336 2.150 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CSCC2CC2)C1 ZINC000426506888 377412764 /nfs/dbraw/zinc/41/27/64/377412764.db2.gz XRBPHCNULIFQSL-NSHDSACASA-N -1 0 285.409 2.233 50 0 CEAARM CC(C)Cc1nc(=N[C@@H](C)c2cc[nH]n2)s[n-]1 ZINC000521394102 379528191 /nfs/dbraw/zinc/52/81/91/379528191.db2.gz OZGLBLSYSKHAST-QMMMGPOBSA-N -1 0 251.359 2.055 50 0 CEAARM Cc1cc(C)n(Cc2n[n-]c(=Nc3ccccc3)o2)n1 ZINC000521395834 379528854 /nfs/dbraw/zinc/52/88/54/379528854.db2.gz RHILAYSQJUXQLB-UHFFFAOYSA-N -1 0 269.308 2.097 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2cc3ccccc3o2)C1 ZINC000492234136 380489359 /nfs/dbraw/zinc/48/93/59/380489359.db2.gz VYDMQNVCGBILFH-FOQNGQEVSA-N -1 0 285.299 2.379 50 0 CEAARM O=C([O-])c1cc(I)cnc1Cl ZINC000012336288 304225517 /nfs/dbraw/zinc/22/55/17/304225517.db2.gz QDUZEGLVAGFGRA-UHFFFAOYSA-N -1 0 283.452 2.038 50 0 CEAARM O=C([O-])c1cccc(NC(=S)N/N=C/c2ccco2)c1 ZINC000000235011 169582309 /nfs/dbraw/zinc/58/23/09/169582309.db2.gz LWFAXCSAZIBLJE-RIYZIHGNSA-N -1 0 289.316 2.298 50 0 CEAARM Cc1c(Cl)cccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000262769 169590968 /nfs/dbraw/zinc/59/09/68/169590968.db2.gz QSGBFUZXYNNAON-QMMMGPOBSA-N -1 0 253.685 2.086 50 0 CEAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)cc1 ZINC000004141791 304246522 /nfs/dbraw/zinc/24/65/22/304246522.db2.gz FHRMYZNQQRXSAT-IOQCUFBNSA-N -1 0 297.310 2.086 50 0 CEAARM O=C([O-])c1ccc2ncc(-c3ccccc3)c(=O)n2c1 ZINC000020096666 304254924 /nfs/dbraw/zinc/25/49/24/304254924.db2.gz UZFOCCNBXIVYON-UHFFFAOYSA-N -1 0 266.256 2.060 50 0 CEAARM O=C([O-])c1cncc(-c2ccc3ncccc3c2)n1 ZINC000215590321 304279471 /nfs/dbraw/zinc/27/94/71/304279471.db2.gz WZIBJRPENNTTIP-UHFFFAOYSA-N -1 0 251.245 2.390 50 0 CEAARM O=C([O-])c1cnn2c3ccsc3c(Cl)nc12 ZINC000002557712 304280150 /nfs/dbraw/zinc/28/01/50/304280150.db2.gz WZUHBIVKZBNNCX-UHFFFAOYSA-N -1 0 253.670 2.296 50 0 CEAARM Cc1occc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094743911 184851094 /nfs/dbraw/zinc/85/10/94/184851094.db2.gz YDNCHYZAIUWGOA-NEPJUHHUSA-N -1 0 265.309 2.351 50 0 CEAARM O=C([O-])c1nc2ccc(Cl)cn2c1Br ZINC000008782203 304283376 /nfs/dbraw/zinc/28/33/76/304283376.db2.gz MJAWBCUJQYCZBT-UHFFFAOYSA-N -1 0 275.489 2.448 50 0 CEAARM [O-][C@]1(C(F)(F)F)Oc2ccccc2-c2oncc21 ZINC000012377178 296588564 /nfs/dbraw/zinc/58/85/64/296588564.db2.gz DZPLMKZFXNLOFF-JTQLQIEISA-N -1 0 257.167 2.441 50 0 CEAARM CCOP(=O)(CN(CC)CCC(=O)[O-])OCC ZINC000002904449 286186971 /nfs/dbraw/zinc/18/69/71/286186971.db2.gz ULPJFFPYUGAWHU-UHFFFAOYSA-N -1 0 267.262 2.007 50 0 CEAARM Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ccn1 ZINC000263040017 154007841 /nfs/dbraw/zinc/00/78/41/154007841.db2.gz LQQNBDOZBUQZRQ-UHFFFAOYSA-N -1 0 277.324 2.155 50 0 CEAARM CC[C@@H](OC)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263346392 154060480 /nfs/dbraw/zinc/06/04/80/154060480.db2.gz UCWJBWOHRMZJOQ-JOYOIKCWSA-N -1 0 265.309 2.238 50 0 CEAARM CC1(C)C[C@H]1CNC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263357941 154064158 /nfs/dbraw/zinc/06/41/58/154064158.db2.gz SIBBYMGZQVYVGA-LBPRGKRZSA-N -1 0 261.321 2.090 50 0 CEAARM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)O1 ZINC000263435754 154087856 /nfs/dbraw/zinc/08/78/56/154087856.db2.gz OMRVRGREPPBKRN-UEKVPHQBSA-N -1 0 291.347 2.456 50 0 CEAARM CCc1ccnc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000263464868 154100570 /nfs/dbraw/zinc/10/05/70/154100570.db2.gz WKWWJJUFNSEHEA-ZDUSSCGKSA-N -1 0 290.363 2.361 50 0 CEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cccs1 ZINC000263496797 154107330 /nfs/dbraw/zinc/10/73/30/154107330.db2.gz JWSDSVTVSOJSQA-ZJUUUORDSA-N -1 0 267.350 2.002 50 0 CEAARM C[C@H](CN(C)c1ncncc1-c1ccccc1)C(=O)[O-] ZINC000263552002 154126490 /nfs/dbraw/zinc/12/64/90/154126490.db2.gz LOAUNSSQTSTFBM-LLVKDONJSA-N -1 0 271.320 2.301 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)c1ccnc(C2CC2)c1)C1CC1 ZINC000263569488 154131050 /nfs/dbraw/zinc/13/10/50/154131050.db2.gz ZKCRIMHAFJXMAX-SECBINFHSA-N -1 0 274.320 2.037 50 0 CEAARM O=C([O-])c1ccccc1C(=O)NCc1ccccc1 ZINC000002473029 169794003 /nfs/dbraw/zinc/79/40/03/169794003.db2.gz KZRGQINXYBJMNB-UHFFFAOYSA-N -1 0 255.273 2.315 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000002568079 169810658 /nfs/dbraw/zinc/81/06/58/169810658.db2.gz RCXSXRAUMLKRRL-NSHDSACASA-N -1 0 283.299 2.346 50 0 CEAARM O=C([O-])c1ccc(NC(=O)C2CC2)c(NC(=O)C2CC2)c1 ZINC000004825420 170024621 /nfs/dbraw/zinc/02/46/21/170024621.db2.gz VCXVHJYXGWNHBP-UHFFFAOYSA-N -1 0 288.303 2.082 50 0 CEAARM CCOC(=O)c1cc(NC(=O)/C=C\C(=O)[O-])ccc1Cl ZINC000004873316 170034781 /nfs/dbraw/zinc/03/47/81/170034781.db2.gz USMCEFKGQYAZAB-WAYWQWQTSA-N -1 0 297.694 2.096 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000005198027 170075807 /nfs/dbraw/zinc/07/58/07/170075807.db2.gz PUAYAFXUERYCHH-STQMWFEESA-N -1 0 277.295 2.109 50 0 CEAARM C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)C(=O)[O-] ZINC000005277622 170082094 /nfs/dbraw/zinc/08/20/94/170082094.db2.gz MINDLPADVDNZHU-LBPRGKRZSA-N -1 0 290.363 2.124 50 0 CEAARM CCCc1cc(=O)[nH]c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000005625382 170121627 /nfs/dbraw/zinc/12/16/27/170121627.db2.gz QRFBBPBUYCHCIK-UHFFFAOYSA-N -1 0 273.292 2.164 50 0 CEAARM O=S(=O)([N-]c1ccc(F)cc1F)C(F)(F)F ZINC000006092037 170174936 /nfs/dbraw/zinc/17/49/36/170174936.db2.gz BYVQDUPTZRDDAE-UHFFFAOYSA-N -1 0 261.171 2.226 50 0 CEAARM O=C([O-])c1ccccc1Cc1nc2ccccc2c(=O)[nH]1 ZINC000008754382 170354312 /nfs/dbraw/zinc/35/43/12/170354312.db2.gz HYGGQEMOVYEUKG-UHFFFAOYSA-N -1 0 280.283 2.212 50 0 CEAARM O=c1nc(NCc2ccccc2)[n-]nc1Cc1ccccc1 ZINC000008767801 170354964 /nfs/dbraw/zinc/35/49/64/170354964.db2.gz GQTJYOZKQWEBPP-UHFFFAOYSA-N -1 0 292.342 2.368 50 0 CEAARM CC(=O)c1cc2c(C)cc(=O)oc2c(C)c1OCC(=O)[O-] ZINC000008879823 170358197 /nfs/dbraw/zinc/35/81/97/170358197.db2.gz HNHLJJYZSCUZKN-UHFFFAOYSA-N -1 0 290.271 2.076 50 0 CEAARM O=C([O-])c1ccccc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000012375395 170481298 /nfs/dbraw/zinc/48/12/98/170481298.db2.gz KGDBZXDJAFNEFH-UHFFFAOYSA-N -1 0 294.303 2.498 50 0 CEAARM O=C([O-])c1cc(C2CC2)nc2c1cnn2CC(F)F ZINC000012396828 170484647 /nfs/dbraw/zinc/48/46/47/170484647.db2.gz AVQLXQOYNDTMLV-UHFFFAOYSA-N -1 0 267.235 2.272 50 0 CEAARM CSCc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013171009 170538991 /nfs/dbraw/zinc/53/89/91/170538991.db2.gz WUMKGLKJWSIINX-ZDUSSCGKSA-N -1 0 293.388 2.486 50 0 CEAARM CC(C)(C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000013171234 170539166 /nfs/dbraw/zinc/53/91/66/170539166.db2.gz LIHXIPJOGKCJIB-LBPRGKRZSA-N -1 0 275.348 2.287 50 0 CEAARM CC(C)CCC[C@@H](C)NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020617024 171267835 /nfs/dbraw/zinc/26/78/35/171267835.db2.gz SISFYORFJGBGLR-SNVBAGLBSA-N -1 0 281.356 2.063 50 0 CEAARM Nc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000021004626 171284820 /nfs/dbraw/zinc/28/48/20/171284820.db2.gz QBZQTMKLGDIWSB-UHFFFAOYSA-N -1 0 256.261 2.219 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccncc1 ZINC000022171660 171368224 /nfs/dbraw/zinc/36/82/24/171368224.db2.gz NLQIVIKNGXDZMP-UHFFFAOYSA-N -1 0 270.288 2.269 50 0 CEAARM O=C([O-])/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000032686478 171744612 /nfs/dbraw/zinc/74/46/12/171744612.db2.gz YVQAGBCKIDNFLC-FMIVXFBMSA-N -1 0 282.259 2.016 50 0 CEAARM O=C([O-])c1cccc(C(=O)NCc2cccs2)c1 ZINC000035347576 172140139 /nfs/dbraw/zinc/14/01/39/172140139.db2.gz MWMMABPHUKSCQA-UHFFFAOYSA-N -1 0 261.302 2.376 50 0 CEAARM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1cccnc1 ZINC000035692742 172361811 /nfs/dbraw/zinc/36/18/11/172361811.db2.gz CWBKDPVPQZBDCL-SNVBAGLBSA-N -1 0 270.288 2.271 50 0 CEAARM CCC[C@](C)(NC(=O)c1ccc(Cl)o1)C(=O)[O-] ZINC000036339643 172623898 /nfs/dbraw/zinc/62/38/98/172623898.db2.gz XRUSUUQVEPNGTG-NSHDSACASA-N -1 0 259.689 2.306 50 0 CEAARM CCCc1c(C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000037312336 173114182 /nfs/dbraw/zinc/11/41/82/173114182.db2.gz VDKCMJUYPUTMLW-UHFFFAOYSA-N -1 0 267.235 2.196 50 0 CEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000037435022 173205726 /nfs/dbraw/zinc/20/57/26/173205726.db2.gz MLMIUDWQKYSEHY-PMMYRKNESA-N -1 0 289.331 2.492 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000037435027 173205736 /nfs/dbraw/zinc/20/57/36/173205736.db2.gz LGCIQBCAXMAQSM-LBPRGKRZSA-N -1 0 286.287 2.031 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)CCSc1ccccc1F ZINC000037457650 173223130 /nfs/dbraw/zinc/22/31/30/173223130.db2.gz XGFQXLBJQDETMC-VIFPVBQESA-N -1 0 285.340 2.287 50 0 CEAARM CN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037517954 173248708 /nfs/dbraw/zinc/24/87/08/173248708.db2.gz XECAIINIVGBGMT-QWRGUYRKSA-N -1 0 267.712 2.019 50 0 CEAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1Br ZINC000038478405 174142139 /nfs/dbraw/zinc/14/21/39/174142139.db2.gz DAZXJWGHPXIGNR-MRVPVSSYSA-N -1 0 298.136 2.195 50 0 CEAARM C[C@H](O)C[C@@H](Sc1ncccc1Cl)C(=O)[O-] ZINC000040068639 174186276 /nfs/dbraw/zinc/18/62/76/174186276.db2.gz DDRQREGXWZOBFG-POYBYMJQSA-N -1 0 261.730 2.051 50 0 CEAARM Cn1c2ncc(C(=O)[O-])cc2nc1-c1ccccc1 ZINC000040449320 174265406 /nfs/dbraw/zinc/26/54/06/174265406.db2.gz SHKGOHINKRZGED-UHFFFAOYSA-N -1 0 253.261 2.334 50 0 CEAARM COc1ccccc1C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000401276473 414751485 /nfs/dbraw/zinc/75/14/85/414751485.db2.gz PUGFRFKEMNESIR-LLVKDONJSA-N -1 0 279.336 2.314 50 0 CEAARM CN(Cc1ccccc1Cl)C(=O)C1(C(=O)[O-])CC1 ZINC000050291546 175514365 /nfs/dbraw/zinc/51/43/65/175514365.db2.gz KKDCWSFZOVAFBG-UHFFFAOYSA-N -1 0 267.712 2.163 50 0 CEAARM CC1(C)C[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])CO1 ZINC000659167891 415432467 /nfs/dbraw/zinc/43/24/67/415432467.db2.gz RDIXFAIWWXILPZ-GFCCVEGCSA-N -1 0 291.347 2.001 50 0 CEAARM CN(Cc1cc(C2CC2)on1)Cc1ncccc1C(=O)[O-] ZINC000065373526 175724214 /nfs/dbraw/zinc/72/42/14/175724214.db2.gz ZDXHOSKDFVGWID-UHFFFAOYSA-N -1 0 287.319 2.277 50 0 CEAARM C[C@@H](NC(=O)CCn1ccc2c1cccc2Cl)C(=O)[O-] ZINC000067640903 175779696 /nfs/dbraw/zinc/77/96/96/175779696.db2.gz SNSXFBWNSYJKBY-SECBINFHSA-N -1 0 294.738 2.274 50 0 CEAARM COc1ccc(C(N)=O)cc1-c1ccc(C(=O)[O-])s1 ZINC000067741496 175788615 /nfs/dbraw/zinc/78/86/15/175788615.db2.gz ICIJEPLTPKKGJC-UHFFFAOYSA-N -1 0 277.301 2.221 50 0 CEAARM CCC[C@@](C)(NC(=O)CC[C@@H]1CCCCO1)C(=O)[O-] ZINC000069385429 175826489 /nfs/dbraw/zinc/82/64/89/175826489.db2.gz AGXBIKGFTOAIHF-SMDDNHRTSA-N -1 0 271.357 2.095 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000019427565 227348837 /nfs/dbraw/zinc/34/88/37/227348837.db2.gz BEAFAQURNJCAOY-ZCRIDZFUSA-N -1 0 279.723 2.429 50 0 CEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC000003885376 260013484 /nfs/dbraw/zinc/01/34/84/260013484.db2.gz GYVAGFHUZMBECP-UHFFFAOYSA-N -1 0 292.360 2.387 50 0 CEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(C)cc1 ZINC000000098960 278075671 /nfs/dbraw/zinc/07/56/71/278075671.db2.gz JIFJBRTVYQXRPG-RYUDHWBXSA-N -1 0 265.334 2.042 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC000077010658 278382879 /nfs/dbraw/zinc/38/28/79/278382879.db2.gz WQPJMDOHKXDVBH-UHFFFAOYSA-N -1 0 296.323 2.487 50 0 CEAARM CC1(C)C(C(=O)NCc2nc(C(=O)[O-])cs2)C1(C)C ZINC000091482416 280883238 /nfs/dbraw/zinc/88/32/38/280883238.db2.gz CTYKRPLRVOUDMC-UHFFFAOYSA-N -1 0 282.365 2.140 50 0 CEAARM CC1(C)C=CN(c2ccc(O)c(C(=O)[O-])c2)C(=S)N1 ZINC000034926687 280889391 /nfs/dbraw/zinc/88/93/91/280889391.db2.gz PLPADIQMJRLELG-UHFFFAOYSA-N -1 0 278.333 2.077 50 0 CEAARM CC1=C[C@H](C)[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000004173853 281697255 /nfs/dbraw/zinc/69/72/55/281697255.db2.gz IUFYUZYEQQSJDA-ZLKJLUDKSA-N -1 0 299.326 2.477 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cc3ccccc3o2)C1 ZINC000492234135 290595523 /nfs/dbraw/zinc/59/55/23/290595523.db2.gz VYDMQNVCGBILFH-FJOGCWAESA-N -1 0 285.299 2.379 50 0 CEAARM Cc1nc(-c2cccc3c2OCC3)c(Cl)c(=O)[n-]1 ZINC000215010428 293154877 /nfs/dbraw/zinc/15/48/77/293154877.db2.gz RHLWMRCLXSAXQO-UHFFFAOYSA-N -1 0 262.696 2.334 50 0 CEAARM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1(C)C ZINC000237155805 294139445 /nfs/dbraw/zinc/13/94/45/294139445.db2.gz JVQJXLKTSUDUSG-ABAIWWIYSA-N -1 0 295.335 2.253 50 0 CEAARM Cc1cc(I)cc(C(=O)[O-])c1O ZINC000034764638 301326274 /nfs/dbraw/zinc/32/62/74/301326274.db2.gz AEFXZXQKQYDHJH-UHFFFAOYSA-N -1 0 278.045 2.003 50 0 CEAARM Cc1ccccc1[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000262602304 302153309 /nfs/dbraw/zinc/15/33/09/302153309.db2.gz KCGONQWXSZVWFE-KWCYVHTRSA-N -1 0 273.332 2.032 50 0 CEAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)C(=O)[O-] ZINC000195551233 302314058 /nfs/dbraw/zinc/31/40/58/302314058.db2.gz ABKSUWQYJBRCLU-VHSXEESVSA-N -1 0 281.377 2.387 50 0 CEAARM Cc1nccn1CCOc1cc(C)ccc1C(=O)[O-] ZINC000049329300 302715494 /nfs/dbraw/zinc/71/54/94/302715494.db2.gz IAKYDPYQLGQMCM-UHFFFAOYSA-N -1 0 260.293 2.277 50 0 CEAARM Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000008855821 302789573 /nfs/dbraw/zinc/78/95/73/302789573.db2.gz SPJRYTCPPQOHCN-UHFFFAOYSA-N -1 0 257.249 2.235 50 0 CEAARM Cc1nn(C)c2nc(-c3ccncc3)cc(C(=O)[O-])c12 ZINC000022166363 302789605 /nfs/dbraw/zinc/78/96/05/302789605.db2.gz CNDFAAZQNDAKFT-UHFFFAOYSA-N -1 0 268.276 2.037 50 0 CEAARM NC(=O)c1cc(Br)cc(Br)c1[O-] ZINC000000001276 303339645 /nfs/dbraw/zinc/33/96/45/303339645.db2.gz UPLRPVGMEIBZLY-UHFFFAOYSA-N -1 0 294.930 2.016 50 0 CEAARM [O-]c1cc(Br)cnc1Br ZINC000035270370 304844678 /nfs/dbraw/zinc/84/46/78/304844678.db2.gz YWXPYIXETNBCFG-UHFFFAOYSA-N -1 0 252.893 2.312 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000195541397 321820673 /nfs/dbraw/zinc/82/06/73/321820673.db2.gz SFFGPDZVHGQMLO-ONGXEEELSA-N -1 0 283.274 2.049 50 0 CEAARM COc1cccc(-c2c(C)nn(C)c2C(=O)[O-])c1OC ZINC000534636743 328334030 /nfs/dbraw/zinc/33/40/30/328334030.db2.gz DIIHUWLMUPXZQE-UHFFFAOYSA-N -1 0 276.292 2.111 50 0 CEAARM CCn1ncc(-c2ccc(OC)c(F)c2)c1C(=O)[O-] ZINC000534664787 328344577 /nfs/dbraw/zinc/34/45/77/328344577.db2.gz WVUGLTTYDAABSJ-UHFFFAOYSA-N -1 0 264.256 2.416 50 0 CEAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)nc2ccccc12 ZINC000178177995 526237482 /nfs/dbraw/zinc/23/74/82/526237482.db2.gz BRLXCBJCXGFUBS-UHFFFAOYSA-N -1 0 298.342 2.480 50 0 CEAARM CCC[C@H](NC(=O)c1ccc(Cl)cc1OC)C(=O)[O-] ZINC000043564842 528203136 /nfs/dbraw/zinc/20/31/36/528203136.db2.gz JSTNONODEVLYAB-JTQLQIEISA-N -1 0 285.727 2.332 50 0 CEAARM CC[C@](C)(CNC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000211589341 538791123 /nfs/dbraw/zinc/79/11/23/538791123.db2.gz CBVLWMZVIBVXQV-OAHLLOKOSA-N -1 0 276.336 2.260 50 0 CEAARM COC[C@@H](C)Oc1cccc(-c2nc(C(=O)[O-])co2)c1 ZINC000952993662 616836863 /nfs/dbraw/zinc/83/68/63/616836863.db2.gz JXLXIDSTRPYRPX-SECBINFHSA-N -1 0 277.276 2.454 50 0 CEAARM O=c1cc(C2CCOCC2)nc2cc(C3CCC3)[n-]n21 ZINC000023231853 624799690 /nfs/dbraw/zinc/79/96/90/624799690.db2.gz CZSCWJBZVUIGNM-UHFFFAOYSA-N -1 0 273.336 2.184 50 0 CEAARM C[C@H](C1CC1)N(C(=O)/C=C/C(=O)[O-])c1ccccc1 ZINC000003130967 625279277 /nfs/dbraw/zinc/27/92/77/625279277.db2.gz RPECSVKALSYQJI-PBQZMEPESA-N -1 0 259.305 2.459 50 0 CEAARM CC(=O)CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133980429 652752271 /nfs/dbraw/zinc/75/22/71/652752271.db2.gz HNFOFFXTNBGNMY-SNVBAGLBSA-N -1 0 273.329 2.114 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000133980045 652752350 /nfs/dbraw/zinc/75/23/50/652752350.db2.gz IURFADRDXYHBOJ-MRVPVSSYSA-N -1 0 299.348 2.299 50 0 CEAARM CC1(C)CN(C(=O)OCc2ccccc2)[C@H]1C(=O)[O-] ZINC000536954090 806661848 /nfs/dbraw/zinc/66/18/48/806661848.db2.gz NSZYTQBIBSFFHI-NSHDSACASA-N -1 0 263.293 2.118 50 0 CEAARM C[C@@](NC(=O)OCCCF)(C(=O)[O-])c1ccccc1 ZINC000952880650 815075036 /nfs/dbraw/zinc/07/50/36/815075036.db2.gz WPURUHSDQRSSRO-ZDUSSCGKSA-N -1 0 269.272 2.072 50 0 CEAARM Cc1noc2ncc(NC(=O)CC(C)(C)CC(=O)[O-])cc12 ZINC000952883947 815078314 /nfs/dbraw/zinc/07/83/14/815078314.db2.gz ZXFQCZAEECIJFL-UHFFFAOYSA-N -1 0 291.307 2.361 50 0 CEAARM O=C([O-])CN(Cc1nccs1)Cc1ccccc1 ZINC000063857132 810179187 /nfs/dbraw/zinc/17/91/87/810179187.db2.gz MXSIZLSGUAFHMJ-UHFFFAOYSA-N -1 0 262.334 2.230 50 0 CEAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cnsc3)ccc2O1 ZINC000585129459 813693862 /nfs/dbraw/zinc/69/38/62/813693862.db2.gz KFQIKERDUIBKOR-QMMMGPOBSA-N -1 0 296.373 2.267 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cccc3ncccc32)no1 ZINC000096448157 230375154 /nfs/dbraw/zinc/37/51/54/230375154.db2.gz HQAFUSJNWICANO-UHFFFAOYSA-N -1 0 289.316 2.332 50 0 CEAARM C[C@H](c1ccco1)N(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000097017693 230386251 /nfs/dbraw/zinc/38/62/51/230386251.db2.gz JBLAPUATXBBZCT-MIMYLULJSA-N -1 0 263.293 2.052 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000269210594 190477246 /nfs/dbraw/zinc/47/72/46/190477246.db2.gz VYDMQNVCGBILFH-BTDICHCPSA-N -1 0 285.299 2.379 50 0 CEAARM CC(C)N(C[C@H]1C[C@@H]1C)C(=O)c1cc(C(=O)[O-])co1 ZINC000095939862 185035374 /nfs/dbraw/zinc/03/53/74/185035374.db2.gz HBFMHLWORPCCSH-VHSXEESVSA-N -1 0 265.309 2.484 50 0 CEAARM Cc1ccccc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000095956990 185042929 /nfs/dbraw/zinc/04/29/29/185042929.db2.gz NLKNFMLJESSWEC-UHFFFAOYSA-N -1 0 261.321 2.322 50 0 CEAARM O=C(c1c([O-])cc(F)cc1F)N1CCc2cnccc21 ZINC000095963989 185044513 /nfs/dbraw/zinc/04/45/13/185044513.db2.gz XKOIXRSGSBCGLE-UHFFFAOYSA-N -1 0 276.242 2.268 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000095961776 185044859 /nfs/dbraw/zinc/04/48/59/185044859.db2.gz USXUNMJLZZJKMT-GHMZBOCLSA-N -1 0 273.288 2.416 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccn(C2CCCC2)n1 ZINC000095989370 185057264 /nfs/dbraw/zinc/05/72/64/185057264.db2.gz ISOFVEQYAADLGF-ZDUSSCGKSA-N -1 0 291.351 2.078 50 0 CEAARM CC(C)Oc1ccccc1CC(=O)N[C@H](C)CCC(=O)[O-] ZINC000095991889 185058691 /nfs/dbraw/zinc/05/86/91/185058691.db2.gz DGJICFXIGZJTLB-GFCCVEGCSA-N -1 0 293.363 2.386 50 0 CEAARM COc1ccc(C(=O)[O-])cc1-c1ccc(C(N)=O)cc1 ZINC000032498435 361740623 /nfs/dbraw/zinc/74/06/23/361740623.db2.gz LUKBHRLZVASMJT-UHFFFAOYSA-N -1 0 271.272 2.159 50 0 CEAARM CCOc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033443564 361780367 /nfs/dbraw/zinc/78/03/67/361780367.db2.gz AQPUJYQWCXPGHA-CQSZACIVSA-N -1 0 291.347 2.094 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-n2cccc2)cc1 ZINC000033442088 361780424 /nfs/dbraw/zinc/78/04/24/361780424.db2.gz VKBOINBJTKQYHR-CQSZACIVSA-N -1 0 284.315 2.167 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)c1 ZINC000034955719 361798246 /nfs/dbraw/zinc/79/82/46/361798246.db2.gz QBJAUHKJLIHTFQ-UHFFFAOYSA-N -1 0 289.360 2.159 50 0 CEAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3)nc1 ZINC000034955506 361799364 /nfs/dbraw/zinc/79/93/64/361799364.db2.gz KEQPMAYIEPKRIE-UHFFFAOYSA-N -1 0 289.360 2.159 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000036974188 361877018 /nfs/dbraw/zinc/87/70/18/361877018.db2.gz CEDIAHJQVMNOLV-GFCCVEGCSA-N -1 0 286.287 2.031 50 0 CEAARM O=C([O-])CC[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000037588120 361906147 /nfs/dbraw/zinc/90/61/47/361906147.db2.gz WUQOWCPNPTXPLA-CQSZACIVSA-N -1 0 284.315 2.418 50 0 CEAARM Cc1cccc(C[C@H](CNC(=O)c2ccncc2)C(=O)[O-])c1 ZINC000097018786 185153222 /nfs/dbraw/zinc/15/32/22/185153222.db2.gz FXQFYOGHLFXALN-OAHLLOKOSA-N -1 0 298.342 2.063 50 0 CEAARM O=C([O-])CCCC(=O)Nc1cccc(N2CCCC2)c1 ZINC000037788566 361939295 /nfs/dbraw/zinc/93/92/95/361939295.db2.gz CQTXIMRKWYZOJK-UHFFFAOYSA-N -1 0 276.336 2.480 50 0 CEAARM C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037829776 361952775 /nfs/dbraw/zinc/95/27/75/361952775.db2.gz JTMMSJFQLRZDTA-ONOSFVFSSA-N -1 0 283.274 2.205 50 0 CEAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000097035946 185166077 /nfs/dbraw/zinc/16/60/77/185166077.db2.gz FHTSLVOFZJGCIC-UWVGGRQHSA-N -1 0 267.350 2.093 50 0 CEAARM CCCCC[C@@H](NC(=O)c1occc1C)C(=O)[O-] ZINC000097036370 185166666 /nfs/dbraw/zinc/16/66/66/185166666.db2.gz OGJGTGMQNROXPU-SNVBAGLBSA-N -1 0 253.298 2.351 50 0 CEAARM CCn1nc(C)cc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000090122995 539181142 /nfs/dbraw/zinc/18/11/42/539181142.db2.gz ZANDYJRTWFPGKI-GFCCVEGCSA-N -1 0 293.367 2.071 50 0 CEAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c2ccccc12 ZINC000019877839 343374716 /nfs/dbraw/zinc/37/47/16/343374716.db2.gz MCJJHFSLPITJHU-XJKSGUPXSA-N -1 0 299.326 2.452 50 0 CEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C(C)C)c2=O ZINC000000425230 343350506 /nfs/dbraw/zinc/35/05/06/343350506.db2.gz HDGGDNBJDPFFIR-UHFFFAOYSA-N -1 0 278.333 2.427 50 0 CEAARM O=C(NC1CCCCC1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215501 343695986 /nfs/dbraw/zinc/69/59/86/343695986.db2.gz DUTNWKNGKZAAAI-UHFFFAOYSA-N -1 0 292.360 2.358 50 0 CEAARM CC(C)(C)OC(=O)NC[C@@H]1CCC=C(C(=O)[O-])C1 ZINC000097757500 344245769 /nfs/dbraw/zinc/24/57/69/344245769.db2.gz FGTWYUSFTOAPBY-SECBINFHSA-N -1 0 255.314 2.322 50 0 CEAARM Cc1[nH]nc2nc(-c3cccc(O)c3)cc(C(=O)[O-])c12 ZINC000049543464 362371404 /nfs/dbraw/zinc/37/14/04/362371404.db2.gz IYQILIJBGWZBEE-UHFFFAOYSA-N -1 0 269.260 2.337 50 0 CEAARM O=C([O-])CCC1CCN(C(=O)c2ccccc2)CC1 ZINC000049848766 362379645 /nfs/dbraw/zinc/37/96/45/362379645.db2.gz OCUKEGTXSFDMCN-UHFFFAOYSA-N -1 0 261.321 2.404 50 0 CEAARM CC[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221035104 344538932 /nfs/dbraw/zinc/53/89/32/344538932.db2.gz BIQCBRHEUBSOJD-ZJUUUORDSA-N -1 0 257.330 2.497 50 0 CEAARM O=C([O-])C[C@@H](CC(=O)NC1CC1)c1ccc(F)cc1 ZINC000057552860 362585621 /nfs/dbraw/zinc/58/56/21/362585621.db2.gz KSCOLTUSICRKCU-SNVBAGLBSA-N -1 0 265.284 2.053 50 0 CEAARM C[C@]1(C(=O)[O-])CCCN1C(=O)OCc1ccccc1 ZINC000059458549 362649718 /nfs/dbraw/zinc/64/97/18/362649718.db2.gz RPUQYVRDBWUEOR-CQSZACIVSA-N -1 0 263.293 2.262 50 0 CEAARM Cc1ccc(CCC(=O)N[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000097228670 185568151 /nfs/dbraw/zinc/56/81/51/185568151.db2.gz ODGVGYICRGIYAE-LBPRGKRZSA-N -1 0 263.337 2.215 50 0 CEAARM Cc1noc(C)c1[N-]S(=O)(=O)C1CCCCC1 ZINC000084025607 539487395 /nfs/dbraw/zinc/48/73/95/539487395.db2.gz OBLHOJGMVNQMSB-UHFFFAOYSA-N -1 0 258.343 2.366 50 0 CEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(C)c(C)c1 ZINC000061215059 362676976 /nfs/dbraw/zinc/67/69/76/362676976.db2.gz MXZBRDRYOOJFAX-LBPRGKRZSA-N -1 0 263.337 2.486 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000061721309 362688786 /nfs/dbraw/zinc/68/87/86/362688786.db2.gz WIUGTCURQDKWFQ-ZJUUUORDSA-N -1 0 283.711 2.341 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2O)C1 ZINC000085388499 179047270 /nfs/dbraw/zinc/04/72/70/179047270.db2.gz SXCAKNXGVNRUFR-HTQZYQBOSA-N -1 0 283.711 2.485 50 0 CEAARM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062118381 362708838 /nfs/dbraw/zinc/70/88/38/362708838.db2.gz DAXJLMQRRHNXAG-UWVGGRQHSA-N -1 0 297.738 2.040 50 0 CEAARM O=C(CC1=CCCCC1)[N-]S(=O)(=O)C1CCCC1 ZINC000086056710 179223969 /nfs/dbraw/zinc/22/39/69/179223969.db2.gz DPFSPWGUNMZQCO-UHFFFAOYSA-N -1 0 271.382 2.266 50 0 CEAARM COc1ccccc1/C(C)=C\C(=O)N(CC(=O)[O-])C1CC1 ZINC000606441812 347474057 /nfs/dbraw/zinc/47/40/57/347474057.db2.gz YJXKEBBGBUQIEF-LUAWRHEFSA-N -1 0 289.331 2.174 50 0 CEAARM O=C([O-])[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000091303493 180130091 /nfs/dbraw/zinc/13/00/91/180130091.db2.gz ATCSVGGHJWQTPC-IUODEOHRSA-N -1 0 275.304 2.120 50 0 CEAARM C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)[C@H](C)O1 ZINC000630158771 351642654 /nfs/dbraw/zinc/64/26/54/351642654.db2.gz UXZDHKYMZGDZOP-XQHKEYJVSA-N -1 0 297.395 2.149 50 0 CEAARM Cn1ccc2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc21 ZINC000630097921 351618079 /nfs/dbraw/zinc/61/80/79/351618079.db2.gz NEFKIPYUOVGOOE-UHFFFAOYSA-N -1 0 286.331 2.115 50 0 CEAARM CC(C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630258703 351672537 /nfs/dbraw/zinc/67/25/37/351672537.db2.gz GGAZYJPUDOETRQ-MRVPVSSYSA-N -1 0 269.272 2.272 50 0 CEAARM COCCn1cc(-c2cc(C)cc(C(=O)[O-])c2)cn1 ZINC000630573845 351789369 /nfs/dbraw/zinc/78/93/69/351789369.db2.gz APOULQPYPBYERH-UHFFFAOYSA-N -1 0 260.293 2.203 50 0 CEAARM COCCn1cc(-c2cccc(C(=O)[O-])c2C)cn1 ZINC000630574338 351789389 /nfs/dbraw/zinc/78/93/89/351789389.db2.gz GKBDHJZOAYCDJQ-UHFFFAOYSA-N -1 0 260.293 2.203 50 0 CEAARM Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccccc1C(=O)[O-] ZINC000071785003 363114845 /nfs/dbraw/zinc/11/48/45/363114845.db2.gz ZHZYRHHETBAWIT-CMDGGOBGSA-N -1 0 299.330 2.387 50 0 CEAARM CCOC(=O)c1oc2ccc([S@](=O)[O-])cc2c1C ZINC000675061345 540081712 /nfs/dbraw/zinc/08/17/12/540081712.db2.gz FKDGWWDEUNPUGQ-UHFFFAOYSA-N -1 0 268.290 2.499 50 0 CEAARM CC(C)[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000133875164 366264632 /nfs/dbraw/zinc/26/46/32/366264632.db2.gz KWFCUHNJDKVVGR-ZYHUDNBSSA-N -1 0 261.321 2.494 50 0 CEAARM CO[N-]C(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000078503454 540574387 /nfs/dbraw/zinc/57/43/87/540574387.db2.gz GSLNKULERREXHX-UHFFFAOYSA-N -1 0 266.684 2.215 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)c2cc(Cl)cc(Cl)c2O1 ZINC000003135509 304098224 /nfs/dbraw/zinc/09/82/24/304098224.db2.gz LIPTYXILAZJPJH-QMMMGPOBSA-N -1 0 261.060 2.412 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000013320246 304099605 /nfs/dbraw/zinc/09/96/05/304099605.db2.gz ZEKURYLVZVODDD-LSDHHAIUSA-N -1 0 285.343 2.238 50 0 CEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000000030986 361117565 /nfs/dbraw/zinc/11/75/65/361117565.db2.gz FFRFUFIVABLWOL-UHFFFAOYSA-N -1 0 281.312 2.033 50 0 CEAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c(=O)c2ccccc12 ZINC000000042217 361119783 /nfs/dbraw/zinc/11/97/83/361119783.db2.gz NZVDHFVMZUBELK-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM O=C([O-])CCCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000000156465 361137480 /nfs/dbraw/zinc/13/74/80/361137480.db2.gz OLRSSDLWFYGXBO-UHFFFAOYSA-N -1 0 273.235 2.481 50 0 CEAARM CN(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000215205 361147393 /nfs/dbraw/zinc/14/73/93/361147393.db2.gz JHQKPRATGDLOFY-ZIAGYGMSSA-N -1 0 288.347 2.358 50 0 CEAARM CC(=O)Nc1ccc2nc(SCC(=O)[O-])sc2c1 ZINC000000330792 361161763 /nfs/dbraw/zinc/16/17/63/361161763.db2.gz DSRHSCKCDGMHEA-UHFFFAOYSA-N -1 0 282.346 2.431 50 0 CEAARM O=C([O-])COc1ccc(NC(=O)c2cccs2)cc1 ZINC000000261287 361152764 /nfs/dbraw/zinc/15/27/64/361152764.db2.gz BMAARLMJUUNRCW-UHFFFAOYSA-N -1 0 277.301 2.464 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NCc2ccccn2)[C@@H](C(=O)[O-])C1 ZINC000000069595 361123811 /nfs/dbraw/zinc/12/38/11/361123811.db2.gz DRPDOORITXZZMV-KBPBESRZSA-N -1 0 288.347 2.145 50 0 CEAARM Cc1cc(OCC(=O)[O-])cc2c1C(=O)CC(C)(C)O2 ZINC000000083246 361125267 /nfs/dbraw/zinc/12/52/67/361125267.db2.gz CRSQWHKHIRPTFI-UHFFFAOYSA-N -1 0 264.277 2.202 50 0 CEAARM O=C([O-])c1cccc(NC(=O)COc2ccccc2)c1 ZINC000000395844 361170438 /nfs/dbraw/zinc/17/04/38/361170438.db2.gz ATAGZRHZVPKKFY-UHFFFAOYSA-N -1 0 271.272 2.402 50 0 CEAARM O=c1c2sccc2[n-]c(=S)n1C[C@H]1CCCO1 ZINC000000425456 361173263 /nfs/dbraw/zinc/17/32/63/361173263.db2.gz OYRPXCAGDHMLIU-SSDOTTSWSA-N -1 0 268.363 2.300 50 0 CEAARM O=C1[N-]C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)N1 ZINC000000452674 361176073 /nfs/dbraw/zinc/17/60/73/361176073.db2.gz ANQIRABJLFMWSK-XYOKQWHBSA-N -1 0 287.706 2.311 50 0 CEAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])ccc12 ZINC000000489338 361180599 /nfs/dbraw/zinc/18/05/99/361180599.db2.gz VBUUPJHPJVEUIA-MRVPVSSYSA-N -1 0 262.261 2.207 50 0 CEAARM CSc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000350485 361163913 /nfs/dbraw/zinc/16/39/13/361163913.db2.gz NVQHKPNOQDQQTQ-ZJUUUORDSA-N -1 0 255.364 2.197 50 0 CEAARM COc1cc(Br)cc(C(=O)[O-])c1OC ZINC000001563922 361208949 /nfs/dbraw/zinc/20/89/49/361208949.db2.gz ZKMWQUDSDYOEJQ-UHFFFAOYSA-N -1 0 261.071 2.165 50 0 CEAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000002005601 361225216 /nfs/dbraw/zinc/22/52/16/361225216.db2.gz YPVRMONLTQLVQE-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM O=C(NC(=C(Cl)Cl)[P@](=O)([O-])O)c1ccccc1 ZINC000002056662 361228117 /nfs/dbraw/zinc/22/81/17/361228117.db2.gz SIXJDNRSTUBUBM-UHFFFAOYSA-N -1 0 296.046 2.198 50 0 CEAARM C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560692 361240957 /nfs/dbraw/zinc/24/09/57/361240957.db2.gz LKRXXARJBFBMCE-DTWKUNHWSA-N -1 0 275.345 2.168 50 0 CEAARM O=C([O-])c1cccc(S(=O)(=O)Oc2ccccc2F)c1 ZINC000003268477 361270610 /nfs/dbraw/zinc/27/06/10/361270610.db2.gz GVBFRVGLFKFLLL-UHFFFAOYSA-N -1 0 296.275 2.292 50 0 CEAARM C[C@@H]1CCc2c(sc3[nH]c(CCC(=O)[O-])nc(=O)c23)C1 ZINC000003264017 361270889 /nfs/dbraw/zinc/27/08/89/361270889.db2.gz VDFFHFONVBJIEH-SSDOTTSWSA-N -1 0 292.360 2.127 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000004088974 361298590 /nfs/dbraw/zinc/29/85/90/361298590.db2.gz GEKSEHFBMPYXLS-ZANVPECISA-N -1 0 274.320 2.397 50 0 CEAARM Cc1nc2[n-]c(COc3ccccc3)nn2c(=O)c1C ZINC000008619749 361343209 /nfs/dbraw/zinc/34/32/09/361343209.db2.gz NIRWLFYKZJFKDQ-UHFFFAOYSA-N -1 0 270.292 2.026 50 0 CEAARM COc1ccccc1/C(C)=C/C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237090279 370688950 /nfs/dbraw/zinc/68/89/50/370688950.db2.gz JWTWBLPSLYDJOZ-LMMOQWNQSA-N -1 0 289.331 2.032 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1 ZINC000011730479 361362235 /nfs/dbraw/zinc/36/22/35/361362235.db2.gz NSLLISNFTQIZKZ-UHFFFAOYSA-N -1 0 280.287 2.336 50 0 CEAARM CC(C)(C)OC(=O)NC12CC(C(=O)[O-])(C1)CCC2 ZINC000012506816 361386799 /nfs/dbraw/zinc/38/67/99/361386799.db2.gz VJMSCDJQBXPPAR-UHFFFAOYSA-N -1 0 255.314 2.299 50 0 CEAARM CCc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)s1 ZINC000083955809 363791053 /nfs/dbraw/zinc/79/10/53/363791053.db2.gz WKVMIKWLIUXYFM-UHFFFAOYSA-N -1 0 289.407 2.271 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1nccc2ccccc21 ZINC000043512330 304105141 /nfs/dbraw/zinc/10/51/41/304105141.db2.gz QOMWRHWOJXNVJA-ZDUSSCGKSA-N -1 0 284.315 2.314 50 0 CEAARM C[C@H]([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC000012649077 361395318 /nfs/dbraw/zinc/39/53/18/361395318.db2.gz URADCGNNXPUQAP-RITPCOANSA-N -1 0 271.235 2.163 50 0 CEAARM O=S(=O)([N-]c1ccccn1)c1ccc(F)c(F)c1 ZINC000013322612 361425265 /nfs/dbraw/zinc/42/52/65/361425265.db2.gz PJNOSWQHGNRTMG-UHFFFAOYSA-N -1 0 270.260 2.161 50 0 CEAARM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1 ZINC000013464658 361427900 /nfs/dbraw/zinc/42/79/00/361427900.db2.gz MIZAODWIWMPESH-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)N1 ZINC000013511764 361429399 /nfs/dbraw/zinc/42/93/99/361429399.db2.gz YHYNPVPFHGCYMG-XFFZJAGNSA-N -1 0 272.235 2.266 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000013091850 361418562 /nfs/dbraw/zinc/41/85/62/361418562.db2.gz SCFDPEOBVHEZQD-UHFFFAOYSA-N -1 0 273.263 2.454 50 0 CEAARM CC[C@H](C)Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1OC ZINC000015012964 361464070 /nfs/dbraw/zinc/46/40/70/361464070.db2.gz RAGMAAZWAMQRTF-MKVDPYIPSA-N -1 0 290.319 2.053 50 0 CEAARM C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccncc1 ZINC000017007552 361501167 /nfs/dbraw/zinc/50/11/67/361501167.db2.gz QWXILJYEEQQOMX-UHTWSYAYSA-N -1 0 276.336 2.150 50 0 CEAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1C ZINC000018029765 361514309 /nfs/dbraw/zinc/51/43/09/361514309.db2.gz MJZSAZXMDJZHMF-UHFFFAOYSA-N -1 0 286.360 2.327 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000019843570 361561611 /nfs/dbraw/zinc/56/16/11/361561611.db2.gz AMDIGSLXKNGOAS-NOZJJQNGSA-N -1 0 274.320 2.397 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000002740600 304107088 /nfs/dbraw/zinc/10/70/88/304107088.db2.gz FOXXIFDHMCGGSG-WDEREUQCSA-N -1 0 291.303 2.245 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000019433562 361534710 /nfs/dbraw/zinc/53/47/10/361534710.db2.gz AJIUVKRDNSSKBN-SNVBAGLBSA-N -1 0 272.304 2.105 50 0 CEAARM Cc1nc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000087428041 363855240 /nfs/dbraw/zinc/85/52/40/363855240.db2.gz BCHRVPOVEICNBB-JTQLQIEISA-N -1 0 282.365 2.311 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000089381774 363959107 /nfs/dbraw/zinc/95/91/07/363959107.db2.gz VTBUPFPBYWYTQE-MNOVXSKESA-N -1 0 287.315 2.174 50 0 CEAARM C[C@@H]1CC[C@@H](CCC(=O)NCc2cccc(C(=O)[O-])c2)O1 ZINC000237378989 370716025 /nfs/dbraw/zinc/71/60/25/370716025.db2.gz QLOAXDBFZHRQPG-RISCZKNCSA-N -1 0 291.347 2.349 50 0 CEAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237501179 370727129 /nfs/dbraw/zinc/72/71/29/370727129.db2.gz CJZRNGXFAWZZJZ-RISCZKNCSA-N -1 0 293.338 2.470 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc2c1CCCC2 ZINC000037410411 304113819 /nfs/dbraw/zinc/11/38/19/304113819.db2.gz KAMUYCWLLZWMGC-NSHDSACASA-N -1 0 279.361 2.316 50 0 CEAARM Cc1nc(Cl)cc(Nc2ncc(C(=O)[O-])s2)n1 ZINC000095093154 364338772 /nfs/dbraw/zinc/33/87/72/364338772.db2.gz LEPDNDFKYFKQNP-UHFFFAOYSA-N -1 0 270.701 2.337 50 0 CEAARM CC(C)C[C@@H](CNC(=O)Cc1cccs1)C(=O)[O-] ZINC000094701865 364287097 /nfs/dbraw/zinc/28/70/97/364287097.db2.gz PHSLLJMJCANBDJ-JTQLQIEISA-N -1 0 269.366 2.154 50 0 CEAARM Cc1cc(C(=O)N[C@@H](C)C(=O)[O-])cc(C)c1OC(F)F ZINC000095425140 364370995 /nfs/dbraw/zinc/37/09/95/364370995.db2.gz CDSQZGNKADICPE-QMMMGPOBSA-N -1 0 287.262 2.108 50 0 CEAARM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000095453682 364385447 /nfs/dbraw/zinc/38/54/47/364385447.db2.gz SMHCXSZGOWKCCX-UHFFFAOYSA-N -1 0 299.327 2.110 50 0 CEAARM O=C([O-])CCCNC(=O)C[C@H]1CCc2ccccc21 ZINC000095503136 364391417 /nfs/dbraw/zinc/39/14/17/364391417.db2.gz WXPGSOCFPVWBHT-GFCCVEGCSA-N -1 0 261.321 2.088 50 0 CEAARM COCc1cc(=O)n2[n-]cc(-c3ccsc3)c2n1 ZINC000100312863 364544382 /nfs/dbraw/zinc/54/43/82/364544382.db2.gz QEZQIYBDFNWUJL-UHFFFAOYSA-N -1 0 261.306 2.310 50 0 CEAARM CCCn1c2ccccc2c([O-])c(C(=O)OCC)c1=O ZINC000100329542 364544980 /nfs/dbraw/zinc/54/49/80/364544980.db2.gz RNDGIBAFDFSHNJ-UHFFFAOYSA-N -1 0 275.304 2.294 50 0 CEAARM Cc1ccc(CC([O-])=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000100667759 364549936 /nfs/dbraw/zinc/54/99/36/364549936.db2.gz JMPSRSASTNUGQO-UHFFFAOYSA-N -1 0 276.288 2.186 50 0 CEAARM Cn1c2ccccc2c([O-])c([S@@](=O)C(C)(C)C)c1=O ZINC000101492354 364557527 /nfs/dbraw/zinc/55/75/27/364557527.db2.gz MMQZMYNXGSQQMI-IBGZPJMESA-N -1 0 279.361 2.150 50 0 CEAARM O=C([O-])c1cnn(-c2cccc(Cl)n2)c1C1CC1 ZINC000097757471 364517405 /nfs/dbraw/zinc/51/74/05/364517405.db2.gz DPJDNPCTQCANGW-UHFFFAOYSA-N -1 0 263.684 2.496 50 0 CEAARM COC(C)(C)C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191446689 189596402 /nfs/dbraw/zinc/59/64/02/189596402.db2.gz VPKFVDYWMWZTLA-SNVBAGLBSA-N -1 0 279.336 2.313 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000241644389 370783552 /nfs/dbraw/zinc/78/35/52/370783552.db2.gz PQIPPZYBTCMXBF-GGZOMVNGSA-N -1 0 265.284 2.114 50 0 CEAARM Cc1ccccc1CCC(=O)NC1(C(=O)[O-])CCC1 ZINC000164879828 367299566 /nfs/dbraw/zinc/29/95/66/367299566.db2.gz KKEIUOOVNZCWAH-UHFFFAOYSA-N -1 0 261.321 2.051 50 0 CEAARM CC(C)[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)[O-] ZINC000170625759 367388431 /nfs/dbraw/zinc/38/84/31/367388431.db2.gz RTNTWFVYTULZPM-ZDUSSCGKSA-N -1 0 274.320 2.017 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)c2ccccc2O1 ZINC000013434303 304130874 /nfs/dbraw/zinc/13/08/74/304130874.db2.gz ZOELIHRATWVYLL-RISCZKNCSA-N -1 0 287.315 2.222 50 0 CEAARM CCN(CC)C(=O)c1cc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC000169676885 367369773 /nfs/dbraw/zinc/36/97/73/367369773.db2.gz RMJAJLPAIWIMLD-VIFPVBQESA-N -1 0 281.377 2.420 50 0 CEAARM CC(C)Nc1cc(-c2ccccc2C(=O)[O-])nc(N)n1 ZINC000215315370 370175322 /nfs/dbraw/zinc/17/53/22/370175322.db2.gz ACXMYJPYAMOIKI-UHFFFAOYSA-N -1 0 272.308 2.244 50 0 CEAARM CC(C)(C(=O)NCCCCC(=O)[O-])c1cccc(F)c1 ZINC000195542055 370139464 /nfs/dbraw/zinc/13/94/64/370139464.db2.gz WSLKDQMVIVNFEE-UHFFFAOYSA-N -1 0 281.327 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/nfs/dbraw/zinc/06/96/05/363069605.db2.gz DOFPXXBRKWRSTN-JTQLQIEISA-N -1 0 288.303 2.325 50 0 CEAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc2ncccc2c1 ZINC000070523849 363092709 /nfs/dbraw/zinc/09/27/09/363092709.db2.gz WUTIPWMXWNFAJT-GXTWGEPZSA-N -1 0 284.315 2.218 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)cc1 ZINC000071772924 363113038 /nfs/dbraw/zinc/11/30/38/363113038.db2.gz RVSLHMXGYFLGAS-UHFFFAOYSA-N -1 0 295.364 2.377 50 0 CEAARM CCC(CC)(CNC(=O)/C=C/c1ccco1)C(=O)[O-] ZINC000137625310 187899996 /nfs/dbraw/zinc/89/99/96/187899996.db2.gz WSURRRSKHWKDLZ-BQYQJAHWSA-N -1 0 265.309 2.300 50 0 CEAARM CC(C)C[C@H](CO)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000131765857 366087316 /nfs/dbraw/zinc/08/73/16/366087316.db2.gz FOKAYTZDFQZWRN-SNVBAGLBSA-N -1 0 294.376 2.253 50 0 CEAARM O=C([O-])C1(S(=O)(=O)c2ccccc2)CCCCC1 ZINC000035676757 304034678 /nfs/dbraw/zinc/03/46/78/304034678.db2.gz QIDSTHQKFFPEIH-UHFFFAOYSA-N -1 0 268.334 2.248 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)c2ccccc21 ZINC000132003013 366109255 /nfs/dbraw/zinc/10/92/55/366109255.db2.gz UKUXBPQBAMGJGM-JTQLQIEISA-N -1 0 290.706 2.497 50 0 CEAARM Cc1ccoc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000131979148 366107495 /nfs/dbraw/zinc/10/74/95/366107495.db2.gz UACMLRKBKDNZCW-LLVKDONJSA-N -1 0 271.272 2.417 50 0 CEAARM CC(C)c1nc(/C=C/c2csnn2)ncc1C(=O)[O-] ZINC000169989265 540018886 /nfs/dbraw/zinc/01/88/86/540018886.db2.gz IOTKMQOMJHSOIK-ONEGZZNKSA-N -1 0 276.321 2.320 50 0 CEAARM CC(C)[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)[O-] ZINC000170625767 188679207 /nfs/dbraw/zinc/67/92/07/188679207.db2.gz INDQPITXWQPCCU-ZDUSSCGKSA-N -1 0 274.320 2.017 50 0 CEAARM CCc1nnc([N-]S(=O)(=O)c2ccccc2F)s1 ZINC000075104918 363440470 /nfs/dbraw/zinc/44/04/70/363440470.db2.gz LCMVKMBIXNTGGA-UHFFFAOYSA-N -1 0 287.341 2.040 50 0 CEAARM CC1CCC(C(=O)N2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000154791792 540250556 /nfs/dbraw/zinc/25/05/56/540250556.db2.gz GFOVSCSYGSKFOB-HTAVTVPLSA-N -1 0 253.342 2.278 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CSCC1CC1 ZINC000426707225 304058694 /nfs/dbraw/zinc/05/86/94/304058694.db2.gz NVGZYPCEYXJFCK-LBPRGKRZSA-N -1 0 285.409 2.376 50 0 CEAARM COc1cccc(OC)c1C(=O)CCCC(=O)[O-] ZINC000002580021 538746111 /nfs/dbraw/zinc/74/61/11/538746111.db2.gz KPTWCLPZKPCJCX-UHFFFAOYSA-N -1 0 252.266 2.141 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](F)C(=O)[O-])C1 ZINC000258655197 540343811 /nfs/dbraw/zinc/34/38/11/540343811.db2.gz USDHYMVRZDTLHG-DTWKUNHWSA-N -1 0 261.293 2.056 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cc(C)cc(F)c1 ZINC000135177452 366405802 /nfs/dbraw/zinc/40/58/02/366405802.db2.gz JEQVYSULPUYYHL-UHFFFAOYSA-N -1 0 253.273 2.071 50 0 CEAARM C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136166704 366499849 /nfs/dbraw/zinc/49/98/49/366499849.db2.gz QTQRIIYCMZJNNM-WDEREUQCSA-N -1 0 281.377 2.250 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000147631841 366575983 /nfs/dbraw/zinc/57/59/83/366575983.db2.gz MSATYNGPEKXAQM-ZDUSSCGKSA-N -1 0 285.702 2.416 50 0 CEAARM COC(=O)[C@@H](C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000003852239 291211230 /nfs/dbraw/zinc/21/12/30/291211230.db2.gz MGTFIPVESGRWCY-SJPFEQQNSA-N -1 0 252.310 2.077 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1nccs1 ZINC000006741799 304097644 /nfs/dbraw/zinc/09/76/44/304097644.db2.gz AIHLVINBRXJNAX-HORUIINNSA-N -1 0 280.349 2.219 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1 ZINC000088166572 304098078 /nfs/dbraw/zinc/09/80/78/304098078.db2.gz BDUIYKDZCJIPTQ-ZCFIWIBFSA-N -1 0 274.103 2.431 50 0 CEAARM O=C([O-])c1ccc(NC(=O)c2ccccc2)cc1O ZINC000000001018 361116606 /nfs/dbraw/zinc/11/66/06/361116606.db2.gz GNZCRYWFWKFIDM-UHFFFAOYSA-N -1 0 257.245 2.343 50 0 in-man CEAARM O=C(N=C([O-])Nc1ccccc1F)C(F)(F)F ZINC000000107999 361128994 /nfs/dbraw/zinc/12/89/94/361128994.db2.gz DFCRVZMSEMNUMW-UHFFFAOYSA-N -1 0 250.151 2.036 50 0 CEAARM COC(=O)c1sc2cc(SCC(=O)[O-])ccc2c1N ZINC000000140430 361133265 /nfs/dbraw/zinc/13/32/65/361133265.db2.gz CPDBJGICLLKUOX-UHFFFAOYSA-N -1 0 297.357 2.447 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Br)cc2)N1 ZINC000000170029 361138640 /nfs/dbraw/zinc/13/86/40/361138640.db2.gz TYLJHTCYCWHWRG-IUCAKERBSA-N -1 0 288.166 2.237 50 0 CEAARM Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000000197432 361143111 /nfs/dbraw/zinc/14/31/11/361143111.db2.gz ZBVVBKXZLBYEOY-UHFFFAOYSA-N -1 0 289.769 2.301 50 0 CEAARM CCOC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000050017 361121362 /nfs/dbraw/zinc/12/13/62/361121362.db2.gz YEPCOXMLVUHOEG-UHFFFAOYSA-N -1 0 279.292 2.057 50 0 CEAARM Cc1c(C=O)c(C=O)c(C)n1Cc1ccc(C(=O)[O-])cc1 ZINC000000314405 361160222 /nfs/dbraw/zinc/16/02/22/361160222.db2.gz BPLKKZBJIUBVPQ-UHFFFAOYSA-N -1 0 285.299 2.476 50 0 CEAARM O=C([O-])c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000000071984 361123759 /nfs/dbraw/zinc/12/37/59/361123759.db2.gz GTGLPZFNBPATOL-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM O=C([O-])[C@@H](CC(=O)Nc1cccnc1)c1ccccc1 ZINC000000386840 361169463 /nfs/dbraw/zinc/16/94/63/361169463.db2.gz ZOSYKSCQVRFSCB-ZDUSSCGKSA-N -1 0 270.288 2.279 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000000399427 361170735 /nfs/dbraw/zinc/17/07/35/361170735.db2.gz LXSODSXUTNRYPE-RYUDHWBXSA-N -1 0 263.293 2.222 50 0 CEAARM O=C([O-])c1ccc(NC(=O)Cn2cnc3ccccc32)cc1 ZINC000000874367 361194571 /nfs/dbraw/zinc/19/45/71/361194571.db2.gz VRLPBLIDRXOVTI-UHFFFAOYSA-N -1 0 295.298 2.373 50 0 CEAARM O=C([O-])c1cc(O)ccc1NC(=O)/C=C/c1ccco1 ZINC000002134032 361229353 /nfs/dbraw/zinc/22/93/53/361229353.db2.gz UHLPGDBMEUJZFF-GQCTYLIASA-N -1 0 273.244 2.335 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000002169836 361229424 /nfs/dbraw/zinc/22/94/24/361229424.db2.gz ZYJPUMXJBDHSIF-LLVKDONJSA-N -1 0 265.309 2.207 50 0 in-vitro CEAARM O=C([O-])CCCSCC(=O)Nc1ccccc1 ZINC000002171895 361230514 /nfs/dbraw/zinc/23/05/14/361230514.db2.gz KWFMMVRSEBNGMJ-UHFFFAOYSA-N -1 0 253.323 2.223 50 0 CEAARM O=C([O-])c1ccc(C(=O)c2ccc(Cl)nc2)o1 ZINC000002392762 361234458 /nfs/dbraw/zinc/23/44/58/361234458.db2.gz AUZVJPFZBBPWSR-UHFFFAOYSA-N -1 0 251.625 2.257 50 0 CEAARM COc1cc(Cl)cc(C=O)c1O[C@H](C)C(=O)[O-] ZINC000002526684 361238152 /nfs/dbraw/zinc/23/81/52/361238152.db2.gz OURPQCNJIAYKOE-ZCFIWIBFSA-N -1 0 258.657 2.013 50 0 CEAARM O=C([O-])CNC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000003060734 361261935 /nfs/dbraw/zinc/26/19/35/361261935.db2.gz PIJCLRWELWGNPO-SNAWJCMRSA-N -1 0 274.103 2.207 50 0 CEAARM O=C([O-])c1cc(NC(=O)Cc2ccccc2)ccc1O ZINC000003195273 361267185 /nfs/dbraw/zinc/26/71/85/361267185.db2.gz XSWXGRWPQSHNCQ-UHFFFAOYSA-N -1 0 271.272 2.272 50 0 CEAARM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(F)(F)F ZINC000003200666 361268029 /nfs/dbraw/zinc/26/80/29/361268029.db2.gz FATZHVIHYSWQEM-ZCFIWIBFSA-N -1 0 262.183 2.492 50 0 CEAARM CO[C@](F)(C(=O)Nc1ccccc1C(=O)[O-])C(F)(F)F ZINC000004141939 361302678 /nfs/dbraw/zinc/30/26/78/361302678.db2.gz LTORXYJKJWPURZ-SNVBAGLBSA-N -1 0 295.188 2.198 50 0 CEAARM CCn1nc(C)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000004473813 361317728 /nfs/dbraw/zinc/31/77/28/361317728.db2.gz SBUSIAGUGPQSRP-NWDGAFQWSA-N -1 0 293.367 2.349 50 0 CEAARM O=C([O-])CCC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000010296451 361349637 /nfs/dbraw/zinc/34/96/37/361349637.db2.gz WBZMRAHGLRKFCE-ZDUSSCGKSA-N -1 0 293.319 2.048 50 0 CEAARM CC(C)C[C@@H](NC(=O)CCc1ccccc1)C(=O)[O-] ZINC000011890277 361367439 /nfs/dbraw/zinc/36/74/39/361367439.db2.gz QKOOHXWOVKRRAI-CYBMUJFWSA-N -1 0 263.337 2.235 50 0 CEAARM O=C([O-])[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000011891114 361367583 /nfs/dbraw/zinc/36/75/83/361367583.db2.gz UZCXVOTUVYLHJI-ZETCQYMHSA-N -1 0 274.103 2.431 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2OC(F)(F)F)N1 ZINC000012243776 361375544 /nfs/dbraw/zinc/37/55/44/361375544.db2.gz HRJWRKHYLMJACA-CBAPKCEASA-N -1 0 293.266 2.373 50 0 CEAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccon1 ZINC000012940579 361410105 /nfs/dbraw/zinc/41/01/05/361410105.db2.gz UTFXUXVUYRRCDR-UHFFFAOYSA-N -1 0 278.289 2.104 50 0 CEAARM COc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000013255316 361423695 /nfs/dbraw/zinc/42/36/95/361423695.db2.gz SEZKJOQGZSYUAC-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM COc1ccc(OCc2nc(C)c(Cl)c(=O)[n-]2)cc1 ZINC000013469776 361428935 /nfs/dbraw/zinc/42/89/35/361428935.db2.gz IGNBLQITXLZDBS-UHFFFAOYSA-N -1 0 280.711 2.319 50 0 CEAARM Cc1nc(COc2ccccc2)[n-]c(=O)c1Cl ZINC000013469773 361429353 /nfs/dbraw/zinc/42/93/53/361429353.db2.gz RYURWIVORFLFFU-UHFFFAOYSA-N -1 0 250.685 2.311 50 0 CEAARM CCn1c2ccccc2nc1N1CCC[C@H](C(=O)[O-])C1 ZINC000013566722 361432769 /nfs/dbraw/zinc/43/27/69/361432769.db2.gz RWVBKGIQRKPSEP-NSHDSACASA-N -1 0 273.336 2.357 50 0 CEAARM COC(Cc1n[n-]c(=S)n1-c1ccccc1)OC ZINC000015924003 361480182 /nfs/dbraw/zinc/48/01/82/361480182.db2.gz RLKLOQQUNLJRGE-UHFFFAOYSA-N -1 0 265.338 2.091 50 0 CEAARM O=C([O-])COc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000016399522 361487464 /nfs/dbraw/zinc/48/74/64/361487464.db2.gz MARSCECOJUOAER-UITAMQMPSA-N -1 0 295.341 2.479 50 0 CEAARM CC[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000019258125 361522626 /nfs/dbraw/zinc/52/26/26/361522626.db2.gz HQVGCMKPDWKAJU-YGRLFVJLSA-N -1 0 288.347 2.326 50 0 CEAARM O=C([O-])C1CCN(C(=O)CCCc2cccs2)CC1 ZINC000019264793 361523769 /nfs/dbraw/zinc/52/37/69/361523769.db2.gz OSSTUAHEMMGFGU-UHFFFAOYSA-N -1 0 281.377 2.394 50 0 CEAARM C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000019281581 361525704 /nfs/dbraw/zinc/52/57/04/361525704.db2.gz DSSCFIPJBPCSNQ-YFKPBYRVSA-N -1 0 262.092 2.196 50 0 CEAARM O=C([O-])C(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000019909284 361565547 /nfs/dbraw/zinc/56/55/47/361565547.db2.gz YKZXWNCXGVYCKF-UHFFFAOYSA-N -1 0 264.227 2.285 50 0 CEAARM COc1ccc2c(c1OC)O[C@](C)(CCC(=O)[O-])CC2=O ZINC000019950573 361570154 /nfs/dbraw/zinc/57/01/54/361570154.db2.gz INZWOWWISNBDJB-OAHLLOKOSA-N -1 0 294.303 2.293 50 0 CEAARM C[C@@H]1CCCc2sc3[n-]c(=S)n(N)c(=O)c3c21 ZINC000019797065 361555288 /nfs/dbraw/zinc/55/52/88/361555288.db2.gz JMERMKALAJNWNV-RXMQYKEDSA-N -1 0 267.379 2.274 50 0 CEAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccccc1 ZINC000025463770 361626482 /nfs/dbraw/zinc/62/64/82/361626482.db2.gz IZWMDSRKJSXGTP-UHFFFAOYSA-N -1 0 273.317 2.364 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 ZINC000037296717 304108405 /nfs/dbraw/zinc/10/84/05/304108405.db2.gz JXYLDVDKOKIPOS-LLVKDONJSA-N -1 0 294.376 2.023 50 0 CEAARM COc1ccc(-c2nnc(S[C@H](C)C(=O)[O-])n2C)cc1 ZINC000032155530 361732790 /nfs/dbraw/zinc/73/27/90/361732790.db2.gz YBKFDMGIRANAAJ-MRVPVSSYSA-N -1 0 293.348 2.056 50 0 CEAARM O=C([O-])CCNC(=O)c1cc2sccc2s1 ZINC000087794629 363869767 /nfs/dbraw/zinc/86/97/67/363869767.db2.gz RNFWDBQCNGTJNK-UHFFFAOYSA-N -1 0 255.320 2.167 50 0 CEAARM CO[C@H](CNC(=O)c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000237203271 370701121 /nfs/dbraw/zinc/70/11/21/370701121.db2.gz DLYVEWRTQNNDKA-GFCCVEGCSA-N -1 0 279.336 2.176 50 0 CEAARM COc1ccc(CNC(=O)C[C@H]2C=CCC2)cc1C(=O)[O-] ZINC000237290134 370707557 /nfs/dbraw/zinc/70/75/57/370707557.db2.gz ISVQLLVRLUNORI-NSHDSACASA-N -1 0 289.331 2.366 50 0 CEAARM C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237575753 370734973 /nfs/dbraw/zinc/73/49/73/370734973.db2.gz ZRIZPIZZLDOWPY-QWHCGFSZSA-N -1 0 291.347 2.025 50 0 CEAARM C[C@@H](CN(C(=O)CC[C@H]1CC[C@@H](C)O1)C1CC1)C(=O)[O-] ZINC000237385403 370717113 /nfs/dbraw/zinc/71/71/13/370717113.db2.gz SATBJAIXVPNRMN-DMDPSCGWSA-N -1 0 283.368 2.046 50 0 CEAARM C[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1cccs1 ZINC000237413148 370719844 /nfs/dbraw/zinc/71/98/44/370719844.db2.gz PDDGCUPVCJHUAN-TVQRCGJNSA-N -1 0 267.350 2.175 50 0 CEAARM C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)C(=O)[O-] ZINC000237502835 370727306 /nfs/dbraw/zinc/72/73/06/370727306.db2.gz WALWSXXDXMWXQT-SECBINFHSA-N -1 0 281.739 2.351 50 0 CEAARM Cc1cc(F)c(C(=O)NC2(C(=O)[O-])CCCC2)cc1F ZINC000237650205 370740714 /nfs/dbraw/zinc/74/07/14/370740714.db2.gz RCFSEOSVUUZACG-UHFFFAOYSA-N -1 0 283.274 2.400 50 0 CEAARM Cn1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc2ccccc21 ZINC000237712781 370746942 /nfs/dbraw/zinc/74/69/42/370746942.db2.gz MIATYRRXJUVCMD-LBPRGKRZSA-N -1 0 286.331 2.115 50 0 CEAARM 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CC[C@@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 ZINC000000715936 286747612 /nfs/dbraw/zinc/74/76/12/286747612.db2.gz FGNPZXMPHFOOCR-VIFPVBQESA-N -1 0 292.360 2.373 50 0 CEAARM C[C@H](C(=O)[O-])n1cc(Br)c(C(F)(F)F)n1 ZINC000002537065 169805081 /nfs/dbraw/zinc/80/50/81/169805081.db2.gz WMDRISUKVUGAEV-GSVOUGTGSA-N -1 0 287.035 2.310 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)COc2ccccc2)cc1 ZINC000004869060 170034266 /nfs/dbraw/zinc/03/42/66/170034266.db2.gz ZCHLGSVRPQDEFW-UHFFFAOYSA-N -1 0 285.299 2.080 50 0 CEAARM CSCC[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000005427279 170098155 /nfs/dbraw/zinc/09/81/55/170098155.db2.gz ILLYGJKZYKQZBP-GMTAPVOTSA-N -1 0 288.413 2.071 50 0 CEAARM CCCCc1nc2cc(S(=O)(=O)[O-])ccc2[nH]1 ZINC000005883467 170150106 /nfs/dbraw/zinc/15/01/06/170150106.db2.gz ZJXSRGZTURCSPY-UHFFFAOYSA-N -1 0 254.311 2.152 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000006746551 170239157 /nfs/dbraw/zinc/23/91/57/170239157.db2.gz TWYIMLJWRSSVGU-CYBMUJFWSA-N -1 0 293.319 2.048 50 0 CEAARM Cc1cc(O[C@H](C)C(=O)[O-])nc(-c2ccccc2)n1 ZINC000006922239 170255498 /nfs/dbraw/zinc/25/54/98/170255498.db2.gz MPBCOLDQMXNXFC-SNVBAGLBSA-N -1 0 258.277 2.304 50 0 CEAARM COc1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000008473610 170337029 /nfs/dbraw/zinc/33/70/29/170337029.db2.gz BOJFCMPQNFNMGS-UHFFFAOYSA-N -1 0 297.266 2.194 50 0 CEAARM COc1ccccc1-c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1 ZINC000008738379 170353266 /nfs/dbraw/zinc/35/32/66/170353266.db2.gz KGJLIYMXALJQRY-UHFFFAOYSA-N -1 0 296.330 2.248 50 0 CEAARM CCc1nn2c([n-]1)nc(-c1cccc(OC)c1)cc2=O ZINC000008768330 170354929 /nfs/dbraw/zinc/35/49/29/170354929.db2.gz KVELETPGCMPURD-UHFFFAOYSA-N -1 0 270.292 2.068 50 0 CEAARM O=C([O-])[C@@H](NC(=O)CCc1ccco1)c1ccccc1 ZINC000020250908 171103340 /nfs/dbraw/zinc/10/33/40/171103340.db2.gz HIAQBDYZNCHBAL-AWEZNQCLSA-N -1 0 273.288 2.154 50 0 CEAARM CCCCN(CCCC)C(=O)c1c(C(=O)[O-])cnn1C ZINC000020616592 171267802 /nfs/dbraw/zinc/26/78/02/171267802.db2.gz OLAYGBNWABMTEB-UHFFFAOYSA-N -1 0 281.356 2.161 50 0 CEAARM O=C([O-])CCSc1ccc2c(c1)OCCCO2 ZINC000022142946 171355466 /nfs/dbraw/zinc/35/54/66/171355466.db2.gz NCPVLLXQDURDTK-UHFFFAOYSA-N -1 0 254.307 2.415 50 0 CEAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(C)cc1 ZINC000026469046 171485881 /nfs/dbraw/zinc/48/58/81/171485881.db2.gz HTCADWXIUOMIJP-UHFFFAOYSA-N -1 0 277.349 2.450 50 0 CEAARM CC(=O)N[C@H](C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000034773965 171866268 /nfs/dbraw/zinc/86/62/68/171866268.db2.gz KRFUEXGPDYTGGI-INIZCTEOSA-N -1 0 283.327 2.408 50 0 CEAARM CN(C(=O)c1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000035185662 172039373 /nfs/dbraw/zinc/03/93/73/172039373.db2.gz JPGZREDHKNYQOD-UHFFFAOYSA-N -1 0 253.323 2.461 50 0 CEAARM C[C@@H]1Cc2cc(-c3cc(CC(=O)[O-])no3)ccc2O1 ZINC000036657693 172644867 /nfs/dbraw/zinc/64/48/67/172644867.db2.gz HJJOMBQHAFIMPT-MRVPVSSYSA-N -1 0 259.261 2.292 50 0 CEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(F)c(Cl)c1 ZINC000036895380 172787428 /nfs/dbraw/zinc/78/74/28/172787428.db2.gz NBASPTVZWLDMID-UHFFFAOYSA-N -1 0 269.663 2.320 50 0 CEAARM Cc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000037329388 173130187 /nfs/dbraw/zinc/13/01/87/173130187.db2.gz LFQIPGJSMJSHLH-ZDUSSCGKSA-N -1 0 261.321 2.003 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])sc1C ZINC000037435079 173206127 /nfs/dbraw/zinc/20/61/27/173206127.db2.gz KMOUYIPPOSGGGI-VIFPVBQESA-N -1 0 253.323 2.054 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1c(C)noc1C(C)C ZINC000038020312 173998580 /nfs/dbraw/zinc/99/85/80/173998580.db2.gz NESVKEQKLBINCV-UHFFFAOYSA-N -1 0 268.313 2.043 50 0 CEAARM COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c(F)c1 ZINC000314693304 414870049 /nfs/dbraw/zinc/87/00/49/414870049.db2.gz BIHSJAZAFJUYKP-KOLCDFICSA-N -1 0 295.310 2.017 50 0 CEAARM O=C([O-])[C@]1(NC(=O)c2ccc(Cl)s2)CCSC1 ZINC000043510900 175060157 /nfs/dbraw/zinc/06/01/57/175060157.db2.gz UFRJYRRNCTZNJZ-JTQLQIEISA-N -1 0 291.781 2.092 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1(C(F)(F)F)CC1 ZINC000044137597 175146118 /nfs/dbraw/zinc/14/61/18/175146118.db2.gz SHCPATAWOPVBQH-LURJTMIESA-N -1 0 283.246 2.307 50 0 CEAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccccc1Cl ZINC000050292098 175514434 /nfs/dbraw/zinc/51/44/34/175514434.db2.gz HZIPAEOTGPTHMJ-QMMMGPOBSA-N -1 0 267.712 2.382 50 0 CEAARM O=C([O-])C1CCN(C(=O)Nc2cccs2)CC1 ZINC000061968100 175659711 /nfs/dbraw/zinc/65/97/11/175659711.db2.gz BVOJWVOISSTHCH-UHFFFAOYSA-N -1 0 254.311 2.077 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000062117475 175663676 /nfs/dbraw/zinc/66/36/76/175663676.db2.gz LOXVXXVEZICFPU-ZETCQYMHSA-N -1 0 271.675 2.026 50 0 CEAARM O=C(/N=c1\[n-]nc2ccccn21)c1cc(F)ccc1Cl ZINC000065314483 175709139 /nfs/dbraw/zinc/70/91/39/175709139.db2.gz ZQBSVURSGMGGTP-UHFFFAOYSA-N -1 0 290.685 2.196 50 0 CEAARM Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)[nH]n1 ZINC000070378675 175900212 /nfs/dbraw/zinc/90/02/12/175900212.db2.gz IADFSVCJXKPPNE-LBPRGKRZSA-N -1 0 287.319 2.054 50 0 CEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccnc1Cl ZINC000071281651 176108846 /nfs/dbraw/zinc/10/88/46/176108846.db2.gz VURRFMSMJSMTGJ-HTQZYQBOSA-N -1 0 268.700 2.030 50 0 CEAARM O=C([O-])CCCNC(=O)Cn1ccc2cc(Cl)ccc21 ZINC000071281930 176108929 /nfs/dbraw/zinc/10/89/29/176108929.db2.gz MTKRVFIEGIAQPO-UHFFFAOYSA-N -1 0 294.738 2.276 50 0 CEAARM COc1c(C)cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C ZINC000192892404 227342595 /nfs/dbraw/zinc/34/25/95/227342595.db2.gz QPXLGAFAUJNZMV-INIZCTEOSA-N -1 0 291.347 2.249 50 0 CEAARM C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)C1CC1 ZINC000009726627 260037496 /nfs/dbraw/zinc/03/74/96/260037496.db2.gz PGNQGPWCYOZALZ-SSDOTTSWSA-N -1 0 261.293 2.042 50 0 CEAARM CCOc1ccccc1/C=C\C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000213384845 261863494 /nfs/dbraw/zinc/86/34/94/261863494.db2.gz RAKRAZBUVVNNJO-WSROAFLRSA-N -1 0 289.331 2.032 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000005422559 287657165 /nfs/dbraw/zinc/65/71/65/287657165.db2.gz YKCGDGCCAXYKJI-NNYUYHANSA-N -1 0 270.373 2.364 50 0 CEAARM CC(C)(C)OC(=O)N1CCc2cc(O)ccc2[C@H]1C(=O)[O-] ZINC000012648698 278413917 /nfs/dbraw/zinc/41/39/17/278413917.db2.gz KCDBTPOYUDNXBR-LBPRGKRZSA-N -1 0 293.319 2.311 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(F)(F)C[C@H]2[C@H]1C(=O)[O-] ZINC000242495533 278415692 /nfs/dbraw/zinc/41/56/92/278415692.db2.gz GISNXYAQSFKBPG-YIZRAAEISA-N -1 0 291.294 2.352 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000002513092 278417657 /nfs/dbraw/zinc/41/76/57/278417657.db2.gz DIFRWCMZFYQBQP-BQBZGAKWSA-N -1 0 283.246 2.116 50 0 CEAARM CC(C)[C@H](C(=O)[O-])n1sc2ccccc2c1=O ZINC000034551689 280189661 /nfs/dbraw/zinc/18/96/61/280189661.db2.gz WWXBUKVYEVDASM-SNVBAGLBSA-N -1 0 251.307 2.345 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NCc2ccco2)[C@H](C(=O)[O-])C1 ZINC000006741402 281663975 /nfs/dbraw/zinc/66/39/75/281663975.db2.gz DSPZSTWIRBSRTP-QWHCGFSZSA-N -1 0 277.320 2.343 50 0 CEAARM COc1cccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)c1 ZINC000299781158 295280499 /nfs/dbraw/zinc/28/04/99/295280499.db2.gz KYRMZKKRAWLUCZ-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000136525593 298020498 /nfs/dbraw/zinc/02/04/98/298020498.db2.gz CAQCOIYELXKONM-GXFFZTMASA-N -1 0 279.311 2.395 50 0 CEAARM Cc1cccnc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005936217 302240957 /nfs/dbraw/zinc/24/09/57/302240957.db2.gz NLXLDLZKOHEWNG-WDEREUQCSA-N -1 0 262.309 2.220 50 0 CEAARM CC(C)Oc1cc(-c2ccccc2C(=O)[O-])nc(N)n1 ZINC000534652992 328338249 /nfs/dbraw/zinc/33/82/49/328338249.db2.gz CLDDEOFBFABNCJ-UHFFFAOYSA-N -1 0 273.292 2.042 50 0 CEAARM CO[C@@H](C)c1ccc(-c2cn(C)nc2C(=O)[O-])cc1 ZINC000534654457 328339052 /nfs/dbraw/zinc/33/90/52/328339052.db2.gz ALMLFTDZGLVRKJ-VIFPVBQESA-N -1 0 260.293 2.493 50 0 CEAARM O=S(=O)([O-])c1ccccc1-c1nc2ccccc2[nH]1 ZINC000033559083 328752586 /nfs/dbraw/zinc/75/25/86/328752586.db2.gz LDSPAOQBLDQXMP-UHFFFAOYSA-N -1 0 274.301 2.477 50 0 CEAARM CCOc1cc(C=O)cc(I)c1[O-] ZINC000000562689 528255970 /nfs/dbraw/zinc/25/59/70/528255970.db2.gz 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/nfs/dbraw/zinc/04/44/05/185044405.db2.gz OLKGZYZGFRLNEW-GHMZBOCLSA-N -1 0 265.284 2.117 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000095961740 185044670 /nfs/dbraw/zinc/04/46/70/185044670.db2.gz ZFXKUWWQAVPYDK-RKDXNWHRSA-N -1 0 267.712 2.323 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)C(C)(C)c1ccccc1F ZINC000095970382 185048361 /nfs/dbraw/zinc/04/83/61/185048361.db2.gz NKRCFLJYBFLXPG-VIFPVBQESA-N -1 0 267.300 2.083 50 0 CEAARM Cc1ccc(C(C)(C)C(=O)N[C@@H](C)CC(=O)[O-])cc1 ZINC000095970394 185048871 /nfs/dbraw/zinc/04/88/71/185048871.db2.gz IMMVDCBEBOEGHK-NSHDSACASA-N -1 0 263.337 2.252 50 0 CEAARM O=C([O-])CCSc1nc2ncccc2n2cccc12 ZINC000032918573 361766861 /nfs/dbraw/zinc/76/68/61/361766861.db2.gz URPZXBUEOZOBIS-UHFFFAOYSA-N -1 0 273.317 2.449 50 0 CEAARM O=C([O-])CN(CC(=O)NC1CCCCC1)c1ccccc1 ZINC000034926531 361796801 /nfs/dbraw/zinc/79/68/01/361796801.db2.gz XTTPRULHHFWTOB-UHFFFAOYSA-N -1 0 290.363 2.027 50 0 CEAARM Cc1noc(C)c1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000035095018 361809717 /nfs/dbraw/zinc/80/97/17/361809717.db2.gz HLCQQANCPOWHRP-UHFFFAOYSA-N -1 0 274.276 2.171 50 0 CEAARM Cc1ccc(-c2csc3ncc(C(=O)[O-])c(=O)n23)cc1 ZINC000036075274 361825146 /nfs/dbraw/zinc/82/51/46/361825146.db2.gz QUEQRCLWPNZKPE-UHFFFAOYSA-N -1 0 286.312 2.430 50 0 CEAARM CS[C@H]1CCC[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000227354807 295668795 /nfs/dbraw/zinc/66/87/95/295668795.db2.gz WNUHVPFHHBUQRU-QWRGUYRKSA-N -1 0 294.376 2.184 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000096793838 185114330 /nfs/dbraw/zinc/11/43/30/185114330.db2.gz PCQZCPOFOJQVQA-DGMVEKRQSA-N -1 0 277.295 2.162 50 0 CEAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000036974787 361877258 /nfs/dbraw/zinc/87/72/58/361877258.db2.gz ZPMCZYSLSACREO-GXFFZTMASA-N -1 0 295.310 2.059 50 0 CEAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)sc1C ZINC000036972774 361877470 /nfs/dbraw/zinc/87/74/70/361877470.db2.gz ZZCOSBUPKOTTHR-UHFFFAOYSA-N -1 0 267.350 2.302 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000097009387 185152167 /nfs/dbraw/zinc/15/21/67/185152167.db2.gz VWGBEUNPONAIMS-RQJHMYQMSA-N -1 0 273.741 2.385 50 0 CEAARM C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000097018694 185152478 /nfs/dbraw/zinc/15/24/78/185152478.db2.gz SQRSOPQEZAAHLB-VGMNWLOBSA-N -1 0 281.274 2.192 50 0 CEAARM CC(C)=CC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000097032922 185155809 /nfs/dbraw/zinc/15/58/09/185155809.db2.gz MZVJZOCMISKQNP-LLVKDONJSA-N -1 0 253.342 2.302 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000097035273 185157716 /nfs/dbraw/zinc/15/77/16/185157716.db2.gz RWODLGAABMOFHM-NEPJUHHUSA-N -1 0 293.388 2.483 50 0 CEAARM CCc1ccsc1C(=O)N(C)CCCC(=O)[O-] ZINC000042411120 362091182 /nfs/dbraw/zinc/09/11/82/362091182.db2.gz YXPRJZLMJMIAGO-UHFFFAOYSA-N -1 0 255.339 2.247 50 0 CEAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])Cc1ccco1 ZINC000005066737 343353546 /nfs/dbraw/zinc/35/35/46/343353546.db2.gz KPYALAYNQQCHDB-UHFFFAOYSA-N -1 0 269.297 2.491 50 0 CEAARM CC(C)c1nc(CN2CCC[C@H]2C(=O)[O-])cs1 ZINC000049277271 362351716 /nfs/dbraw/zinc/35/17/16/362351716.db2.gz SHFFTIMVORFTOJ-JTQLQIEISA-N -1 0 254.355 2.316 50 0 CEAARM Cc1ccc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)cc1 ZINC000113650864 344277551 /nfs/dbraw/zinc/27/75/51/344277551.db2.gz VKYJXDOIGACUMA-UHFFFAOYSA-N -1 0 280.287 2.336 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000136123629 344384319 /nfs/dbraw/zinc/38/43/19/344384319.db2.gz JWJSCZSWSNHUDU-HCYCVZQXSA-N -1 0 273.332 2.413 50 0 CEAARM C#CCCC[C@@H]1C[C@H]1OC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000144399628 344407425 /nfs/dbraw/zinc/40/74/25/344407425.db2.gz ZLNLGHIMCOKISX-IJLUTSLNSA-N -1 0 281.352 2.404 50 0 CEAARM CC(C)[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccncc1 ZINC000169987627 344483726 /nfs/dbraw/zinc/48/37/26/344483726.db2.gz WJTCNVPXFNLGHG-ZDUSSCGKSA-N -1 0 278.352 2.396 50 0 CEAARM O=C([O-])[C@H](NC(=O)Cc1cccs1)c1ccccc1F ZINC000195551267 344521724 /nfs/dbraw/zinc/52/17/24/344521724.db2.gz 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361236479 /nfs/dbraw/zinc/23/64/79/361236479.db2.gz ZYCITKXROAFBAR-LBPRGKRZSA-N -1 0 279.336 2.455 50 0 CEAARM O=[P@@]([O-])(O)Cc1ccc(Br)cc1 ZINC000002524678 361238009 /nfs/dbraw/zinc/23/80/09/361238009.db2.gz AJSDTRXBGITXHM-UHFFFAOYSA-N -1 0 251.016 2.127 50 0 CEAARM Cc1ccnn1Cc1cc(C(=O)[O-])c2ccccc2n1 ZINC000002554074 361239862 /nfs/dbraw/zinc/23/98/62/361239862.db2.gz OKRIIXQGYJWTIZ-UHFFFAOYSA-N -1 0 267.288 2.486 50 0 CEAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1Cl ZINC000003156403 361265920 /nfs/dbraw/zinc/26/59/20/361265920.db2.gz UHHYVJOSFHKZGH-UHFFFAOYSA-N -1 0 277.667 2.081 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000003226932 361269233 /nfs/dbraw/zinc/26/92/33/361269233.db2.gz PLWRKCDZYZMOOK-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@@H](C(=O)Nc2cccnc2)C1 ZINC000004165042 361302924 /nfs/dbraw/zinc/30/29/24/361302924.db2.gz BPTDYORIUWSERV-WCFLWFBJSA-N -1 0 274.320 2.323 50 0 CEAARM COC(=O)c1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000004368844 361314678 /nfs/dbraw/zinc/31/46/78/361314678.db2.gz VLJAUDDGOCGHFB-UHFFFAOYSA-N -1 0 258.299 2.277 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 ZINC000019265471 304103326 /nfs/dbraw/zinc/10/33/26/304103326.db2.gz QGKPJYPWOPTHCG-NSHDSACASA-N -1 0 269.247 2.044 50 0 CEAARM Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000004688104 361327023 /nfs/dbraw/zinc/32/70/23/361327023.db2.gz FABVOZYQEAILMX-UHFFFAOYSA-N -1 0 256.261 2.219 50 0 CEAARM CC[C@@H](OC1CCCC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237049992 370685295 /nfs/dbraw/zinc/68/52/95/370685295.db2.gz QQVRKTDYSGOUMC-DOMZBBRYSA-N -1 0 283.368 2.047 50 0 CEAARM O=C([O-])Cn1ccc2ccc(Br)cc21 ZINC000011731173 361361847 /nfs/dbraw/zinc/36/18/47/361361847.db2.gz NOIOSYLYPIQYRT-UHFFFAOYSA-N -1 0 254.083 2.488 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000011867250 361367271 /nfs/dbraw/zinc/36/72/71/361367271.db2.gz AMDIGSLXKNGOAS-RNCFNFMXSA-N -1 0 274.320 2.397 50 0 CEAARM Cc1onc(C(=O)[O-])c1COc1cccc(F)c1 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ZINC000572943054 395595141 /nfs/dbraw/zinc/59/51/41/395595141.db2.gz CYCJBEYVFGAGRE-AATRIKPKSA-N -1 0 287.323 2.080 50 0 CEAARM COc1ccc(-c2c[n-]n3c2nc(C)cc3=O)cc1OC ZINC000100694889 400248993 /nfs/dbraw/zinc/24/89/93/400248993.db2.gz INEVKNIOKUGNSM-UHFFFAOYSA-N -1 0 285.303 2.428 50 0 CEAARM C[C@@H](c1cc2ccccc2o1)N1C[C@H](C(=O)[O-])CC1=O ZINC000048265684 400191517 /nfs/dbraw/zinc/19/15/17/400191517.db2.gz NELWHWIHRIWKDI-GXSJLCMTSA-N -1 0 273.288 2.427 50 0 CEAARM Cc1nc(C(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)c(C)s1 ZINC000263109298 154017294 /nfs/dbraw/zinc/01/72/94/154017294.db2.gz BOYHDVPDLDHRDM-GMSGAONNSA-N -1 0 282.365 2.085 50 0 CEAARM COc1csc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000263122725 154020965 /nfs/dbraw/zinc/02/09/65/154020965.db2.gz CKNSLYYNBSBLDC-WPRPVWTQSA-N -1 0 283.349 2.082 50 0 CEAARM C[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1(F)F ZINC000263298027 154052881 /nfs/dbraw/zinc/05/28/81/154052881.db2.gz ZUKKUNIMMJODJQ-LLVKDONJSA-N -1 0 255.220 2.369 50 0 CEAARM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)O1 ZINC000263435745 154086831 /nfs/dbraw/zinc/08/68/31/154086831.db2.gz OMRVRGREPPBKRN-FIXISWKDSA-N -1 0 291.347 2.456 50 0 CEAARM Cc1cc(F)ccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263530424 154116950 /nfs/dbraw/zinc/11/69/50/154116950.db2.gz WFHFUHHRERUXMF-MNOVXSKESA-N -1 0 279.311 2.459 50 0 CEAARM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1F ZINC000263541367 154123304 /nfs/dbraw/zinc/12/33/04/154123304.db2.gz DANAJAQLSUECDJ-RXMQYKEDSA-N -1 0 277.198 2.086 50 0 CEAARM O=S(=O)([O-])CCCSc1nc2ccccc2o1 ZINC000002477901 169793973 /nfs/dbraw/zinc/79/39/73/169793973.db2.gz CWPPRZUNMZLOSE-UHFFFAOYSA-N -1 0 273.335 2.198 50 0 CEAARM CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000003153091 169860885 /nfs/dbraw/zinc/86/08/85/169860885.db2.gz JQBDIBGWMXOAMM-UHFFFAOYSA-N -1 0 293.319 2.303 50 0 CEAARM Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1 ZINC000003186053 169866143 /nfs/dbraw/zinc/86/61/43/169866143.db2.gz UMAOHXPHVQUDRE-UHFFFAOYSA-N -1 0 266.166 2.038 50 0 CEAARM CC(=O)O/C(=C\c1cn(C(C)=O)c2ccccc12)C(=O)[O-] ZINC000004976709 170047811 /nfs/dbraw/zinc/04/78/11/170047811.db2.gz WNAFBDIFJXUZAG-AUWJEWJLSA-N -1 0 287.271 2.290 50 0 biogenic,in-vitro CEAARM O=C([O-])c1nn(-c2ccc(Cl)cc2)c(=O)cc1Cl ZINC000005676327 170127014 /nfs/dbraw/zinc/12/70/14/170127014.db2.gz QSFOWYMENARAMI-UHFFFAOYSA-N -1 0 285.086 2.238 50 0 CEAARM COc1ccc([C@H](CC(=O)[O-])Sc2nc[nH]n2)cc1 ZINC000006702627 170229725 /nfs/dbraw/zinc/22/97/25/170229725.db2.gz HQJZIQOPXXZMJJ-JTQLQIEISA-N -1 0 279.321 2.121 50 0 CEAARM O=C([O-])c1ccc(Cn2cnc3ccccc3c2=O)cc1 ZINC000008021566 170314149 /nfs/dbraw/zinc/31/41/49/170314149.db2.gz CAHCCLBAWHKXPZ-UHFFFAOYSA-N -1 0 280.283 2.143 50 0 CEAARM CC[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000008828715 170356679 /nfs/dbraw/zinc/35/66/79/170356679.db2.gz PNQTVGLDFGZFLQ-VIFPVBQESA-N -1 0 264.306 2.291 50 0 CEAARM Cc1n[n-]c(Nc2ccc3ccccc3c2)nc1=O ZINC000008997676 170361238 /nfs/dbraw/zinc/36/12/38/170361238.db2.gz VMYMFIGQAQANDR-UHFFFAOYSA-N -1 0 252.277 2.370 50 0 CEAARM CCc1nc2cc(C(=O)[O-])ccc2n1C[C@@H]1CCCO1 ZINC000009238083 170367987 /nfs/dbraw/zinc/36/79/87/170367987.db2.gz WSKVGRZOTYQHAE-NSHDSACASA-N -1 0 274.320 2.476 50 0 CEAARM CC(C)CNC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013034823 170529986 /nfs/dbraw/zinc/52/99/86/170529986.db2.gz QTSKMVZYBVNSMC-UHFFFAOYSA-N -1 0 285.727 2.189 50 0 CEAARM O=C([O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000019264368 170763923 /nfs/dbraw/zinc/76/39/23/170763923.db2.gz IAVBAJSVXIXYBQ-AWEZNQCLSA-N -1 0 283.283 2.327 50 0 CEAARM O=C([O-])CCCN1C(=O)c2cccc3c(O)ccc(c32)C1=O ZINC000019879429 170907455 /nfs/dbraw/zinc/90/74/55/170907455.db2.gz XDTBRVKQTALHQJ-UHFFFAOYSA-N -1 0 299.282 2.006 50 0 CEAARM Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)[O-] ZINC000020283748 171133070 /nfs/dbraw/zinc/13/30/70/171133070.db2.gz XMTWMAIWNVBBBV-UHFFFAOYSA-N -1 0 252.220 2.466 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1c(F)cccc1Cl ZINC000020305021 171141470 /nfs/dbraw/zinc/14/14/70/171141470.db2.gz CLUVUQKJFSEEGN-LLVKDONJSA-N -1 0 285.702 2.097 50 0 CEAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(Cl)c1 ZINC000022073378 171352133 /nfs/dbraw/zinc/35/21/33/171352133.db2.gz KWFVKDZRESUIMB-UHFFFAOYSA-N -1 0 277.667 2.081 50 0 CEAARM Cc1cc(C)cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022160354 171363845 /nfs/dbraw/zinc/36/38/45/171363845.db2.gz MKTAUUXBIAADHX-UHFFFAOYSA-N -1 0 294.332 2.131 50 0 CEAARM O=C([O-])Cc1csc(Nc2cccc(O)c2)n1 ZINC000033507614 171808894 /nfs/dbraw/zinc/80/88/94/171808894.db2.gz DYRFBCKTUMWMRN-UHFFFAOYSA-N -1 0 250.279 2.219 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000037410348 173186947 /nfs/dbraw/zinc/18/69/47/173186947.db2.gz TXKRJLAQMZATSL-CQSZACIVSA-N -1 0 273.332 2.255 50 0 CEAARM CCc1ccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000037410468 173187010 /nfs/dbraw/zinc/18/70/10/173187010.db2.gz HIOUKZGUFOUYED-AWEZNQCLSA-N -1 0 275.348 2.257 50 0 CEAARM COc1cccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000037410709 173187488 /nfs/dbraw/zinc/18/74/88/173187488.db2.gz AQFOAMLOPFNXPH-VFNNOXKTSA-N -1 0 289.331 2.174 50 0 CEAARM Cc1nc(/C=C/C(=O)NC2(C(=O)[O-])CCCCC2)cs1 ZINC000037418915 173196414 /nfs/dbraw/zinc/19/64/14/173196414.db2.gz IZQCCCDHRNQYOV-AATRIKPKSA-N -1 0 294.376 2.368 50 0 CEAARM CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC000037432643 173202332 /nfs/dbraw/zinc/20/23/32/173202332.db2.gz WTWDHBPKFHWQQY-ZDUSSCGKSA-N -1 0 288.303 2.181 50 0 CEAARM CCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000037433254 173203562 /nfs/dbraw/zinc/20/35/62/173203562.db2.gz CNZOIHNKIOUYMA-UHFFFAOYSA-N -1 0 267.350 2.247 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CC1=CCCC1)C(=O)[O-] ZINC000038528677 174144430 /nfs/dbraw/zinc/14/44/30/174144430.db2.gz PJAZNVBLRNCMIO-JTQLQIEISA-N -1 0 255.314 2.465 50 0 CEAARM O=C([O-])c1cc(F)ccc1NC(=O)N1CCCC1 ZINC000040523601 174312042 /nfs/dbraw/zinc/31/20/42/174312042.db2.gz QVMYKLGLWPUMDE-UHFFFAOYSA-N -1 0 252.245 2.152 50 0 CEAARM CCc1nc2sc(C)cc2c(N[C@H](C)C(=O)[O-])n1 ZINC000041090714 174477078 /nfs/dbraw/zinc/47/70/78/174477078.db2.gz AATBZMKBAUYSRW-SSDOTTSWSA-N -1 0 265.338 2.447 50 0 CEAARM O=C([O-])C[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000042144264 174642367 /nfs/dbraw/zinc/64/23/67/174642367.db2.gz MYHHJEZLLGBGAS-CYBMUJFWSA-N -1 0 261.321 2.085 50 0 CEAARM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c(C)s1 ZINC000043509683 175060264 /nfs/dbraw/zinc/06/02/64/175060264.db2.gz JKPRYXGLXSOBIN-GFCCVEGCSA-N -1 0 285.390 2.055 50 0 CEAARM O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000045795886 175383914 /nfs/dbraw/zinc/38/39/14/175383914.db2.gz CPXTYAUPVNGBHA-JTQLQIEISA-N -1 0 265.284 2.153 50 0 CEAARM CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccs1 ZINC000049529812 175486038 /nfs/dbraw/zinc/48/60/38/175486038.db2.gz LKSWTJAQYMSHBJ-VGMNWLOBSA-N -1 0 253.323 2.036 50 0 CEAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](CO)C(C)C)c12 ZINC000067886347 175799797 /nfs/dbraw/zinc/79/97/97/175799797.db2.gz OEMMWEKOERXNAD-QMMMGPOBSA-N -1 0 295.364 2.127 50 0 CEAARM CC1(C(=O)[N-]S(=O)(=O)CCc2ccccc2)CCCC1 ZINC000069584411 175840911 /nfs/dbraw/zinc/84/09/11/175840911.db2.gz QVVIOLSFYALXEM-UHFFFAOYSA-N -1 0 295.404 2.255 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)c1ccc2[nH]ccc2c1 ZINC000070309734 175886844 /nfs/dbraw/zinc/88/68/44/175886844.db2.gz NOZKYVNRISXYKU-SECBINFHSA-N -1 0 260.293 2.151 50 0 CEAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(C(F)F)nc1 ZINC000656234454 415658122 /nfs/dbraw/zinc/65/81/22/415658122.db2.gz ISBASMXQGFLSCR-UHFFFAOYSA-N -1 0 286.278 2.345 50 0 CEAARM O=C([O-])Cc1ccc(-c2ccnc3[nH]ccc32)nc1 ZINC000072147917 176325683 /nfs/dbraw/zinc/32/56/83/176325683.db2.gz RTGQMSZXBFKFDO-UHFFFAOYSA-N -1 0 253.261 2.252 50 0 CEAARM Cc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC000313873609 419478969 /nfs/dbraw/zinc/47/89/69/419478969.db2.gz RLOSXHRBKLIZEP-HIFRSBDPSA-N -1 0 289.375 2.415 50 0 CEAARM COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001078098 261195252 /nfs/dbraw/zinc/19/52/52/261195252.db2.gz OOOOHHABXZISSJ-ZIAGYGMSSA-N -1 0 291.347 2.202 50 0 CEAARM CC(=O)c1c([O-])cc2n(c1=O)-c1ccccc1C2(C)C ZINC000000068471 277102778 /nfs/dbraw/zinc/10/27/78/277102778.db2.gz LIWZPPRZFROYBJ-UHFFFAOYSA-N -1 0 269.300 2.385 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(C(=O)[O-])on2)C1 ZINC000074941283 278390387 /nfs/dbraw/zinc/39/03/87/278390387.db2.gz ZDILURCPZRUDDW-SECBINFHSA-N -1 0 296.323 2.487 50 0 CEAARM CC(C)(C)OC(=O)N1CCc2c(sc(N)c2C(=O)[O-])C1 ZINC000045347913 278413966 /nfs/dbraw/zinc/41/39/66/278413966.db2.gz YNNBGBZGUCLCAC-UHFFFAOYSA-N -1 0 298.364 2.322 50 0 CEAARM CC(C)C[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000236666913 279218728 /nfs/dbraw/zinc/21/87/28/279218728.db2.gz RHZHREDRSPASOY-AWEZNQCLSA-N -1 0 291.347 2.272 50 0 CEAARM CC(C)c1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000100891257 280616601 /nfs/dbraw/zinc/61/66/01/280616601.db2.gz IELVCPLXROACHD-ZDUSSCGKSA-N -1 0 284.319 2.385 50 0 CEAARM CC1(C)[C@@H](C(=O)N2CCCC2)CC[C@@]1(C)C(=O)[O-] ZINC000004717952 281435203 /nfs/dbraw/zinc/43/52/03/281435203.db2.gz OQFLIXWBGNDUON-YGRLFVJLSA-N -1 0 253.342 2.136 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000037932251 289585678 /nfs/dbraw/zinc/58/56/78/289585678.db2.gz JFFNHLNXYKSYIS-UKRRQHHQSA-N -1 0 291.347 2.087 50 0 CEAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H]2C)c1 ZINC000097766392 294944670 /nfs/dbraw/zinc/94/46/70/294944670.db2.gz JGVJLGWTKUOVBH-VIFPVBQESA-N -1 0 263.293 2.018 50 0 CEAARM O=C1[N-]C(=O)[C@H](c2ccccc2)Oc2ccccc21 ZINC000006670050 304658146 /nfs/dbraw/zinc/65/81/46/304658146.db2.gz UPGQYLVMPYAFQI-ZDUSSCGKSA-N -1 0 253.257 2.077 50 0 CEAARM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)[O-])O2 ZINC000000056582 300951714 /nfs/dbraw/zinc/95/17/14/300951714.db2.gz GLEVLJDDWXEYCO-AWEZNQCLSA-N -1 0 250.294 2.486 50 0 endogenous,in-man CEAARM Cc1cc(C)nc(-n2[n-]c(-c3ccccc3)cc2=O)n1 ZINC000004434449 301263338 /nfs/dbraw/zinc/26/33/38/301263338.db2.gz XMVIGQFLZWZHGH-UHFFFAOYSA-N -1 0 266.304 2.234 50 0 CEAARM Cc1ccnc(-n2c(COCC(=O)[O-])nc3ccccc32)c1 ZINC000067643105 302266362 /nfs/dbraw/zinc/26/63/62/302266362.db2.gz BVFQIZQVQRZHTR-UHFFFAOYSA-N -1 0 297.314 2.330 50 0 CEAARM Cc1nc(-c2ccccc2N(C)C)c(Cl)c(=O)[n-]1 ZINC000216264525 302548637 /nfs/dbraw/zinc/54/86/37/302548637.db2.gz CBPYAGDKQFCEER-UHFFFAOYSA-N -1 0 263.728 2.465 50 0 CEAARM [O-]c1cc(I)cnc1Br ZINC000035270330 304845026 /nfs/dbraw/zinc/84/50/26/304845026.db2.gz IWBJXACFIJFJHB-UHFFFAOYSA-N -1 0 299.893 2.154 50 0 CEAARM Cc1nc(C[NH+]2CCC(CCC(=O)[O-])CC2)n(C)c1C ZINC000534642154 328328823 /nfs/dbraw/zinc/32/88/23/328328823.db2.gz YOWGLXIAMWVDIL-UHFFFAOYSA-N -1 0 279.384 2.114 50 0 CEAARM CCCC1(C(=O)[O-])CCN(C(=O)c2cc[nH]c2C)CC1 ZINC000534667068 328345752 /nfs/dbraw/zinc/34/57/52/328345752.db2.gz FKNFCDDRCIUCOF-UHFFFAOYSA-N -1 0 278.352 2.430 50 0 CEAARM CC(C)(C)c1nc(CN[C@H](C(=O)[O-])c2ccccc2)no1 ZINC000050511439 519101745 /nfs/dbraw/zinc/10/17/45/519101745.db2.gz ODLJHKHFVYAGNV-LBPRGKRZSA-N -1 0 289.335 2.283 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000096502833 534403362 /nfs/dbraw/zinc/40/33/62/534403362.db2.gz MSPWECBKUNHOEV-UHFFFAOYSA-N -1 0 283.740 2.239 50 0 CEAARM O=C([O-])[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccc(F)c(F)c1 ZINC000241588125 526311250 /nfs/dbraw/zinc/31/12/50/526311250.db2.gz OZWJVQGBOOGQJC-OPQQBVKSSA-N -1 0 295.285 2.253 50 0 CEAARM CCCS(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000096502203 528812923 /nfs/dbraw/zinc/81/29/23/528812923.db2.gz IQJCFZIPWPCPEM-VIFPVBQESA-N -1 0 273.320 2.437 50 0 CEAARM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000668283489 623036008 /nfs/dbraw/zinc/03/60/08/623036008.db2.gz RENMXVYAYMWXLW-APPZFPTMSA-N -1 0 269.322 2.200 50 0 CEAARM O=C([O-])Cc1cc(F)c(Br)c(F)c1 ZINC000102238348 624964595 /nfs/dbraw/zinc/96/45/95/624964595.db2.gz FENXBFUKGKJYMX-UHFFFAOYSA-N -1 0 251.026 2.354 50 0 CEAARM C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]21 ZINC000003899172 230367938 /nfs/dbraw/zinc/36/79/38/230367938.db2.gz OFARKPJWSCWOBZ-OASPWFOLSA-N -1 0 285.299 2.086 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1C(C)(C)C ZINC000095958177 185043232 /nfs/dbraw/zinc/04/32/32/185043232.db2.gz YXMNZQZMHVHSSB-GFCCVEGCSA-N -1 0 293.367 2.026 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1C(C)(C)C ZINC000095958178 185043319 /nfs/dbraw/zinc/04/33/19/185043319.db2.gz YXMNZQZMHVHSSB-LBPRGKRZSA-N -1 0 293.367 2.026 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccccc2Br)CCC1 ZINC000095967058 185046722 /nfs/dbraw/zinc/04/67/22/185046722.db2.gz TYYGPPKFPTXEKE-UHFFFAOYSA-N -1 0 298.136 2.186 50 0 CEAARM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000095970071 185048363 /nfs/dbraw/zinc/04/83/63/185048363.db2.gz ZPGKCOQJCVJAPG-NSHDSACASA-N -1 0 269.366 2.215 50 0 CEAARM Cc1ccc(CN(CC(=O)[O-])C(=O)CCOC(C)C)cc1 ZINC000095969955 185048684 /nfs/dbraw/zinc/04/86/84/185048684.db2.gz DIXXFTZAOPFITK-UHFFFAOYSA-N -1 0 293.363 2.223 50 0 CEAARM Cc1ccc(SCC(=O)N=c2[n-]nc3ccccn32)cc1 ZINC000033175201 361773687 /nfs/dbraw/zinc/77/36/87/361773687.db2.gz BKVLYAQRVTWXNM-UHFFFAOYSA-N -1 0 298.371 2.190 50 0 CEAARM Cc1cc(=O)c(C(=O)[O-])nn1-c1ccc(C(F)(F)F)cc1 ZINC000034619834 361793565 /nfs/dbraw/zinc/79/35/65/361793565.db2.gz DYUWRLJCZBCQNC-UHFFFAOYSA-N -1 0 298.220 2.258 50 0 CEAARM Cc1ccc(/C=C/C(=O)N[C@H](C)CC(=O)[O-])c(C)c1 ZINC000036981355 361878906 /nfs/dbraw/zinc/87/89/06/361878906.db2.gz AAVZVLOMHYIELC-NNNHXZLVSA-N -1 0 261.321 2.296 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000097009380 185151603 /nfs/dbraw/zinc/15/16/03/185151603.db2.gz VWGBEUNPONAIMS-BQBZGAKWSA-N -1 0 273.741 2.385 50 0 CEAARM Cc1cccc(C)c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000097035295 185157286 /nfs/dbraw/zinc/15/72/86/185157286.db2.gz WAFHCRSXUYAKPS-GFCCVEGCSA-N -1 0 261.321 2.240 50 0 CEAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000097035275 185157317 /nfs/dbraw/zinc/15/73/17/185157317.db2.gz RWODLGAABMOFHM-RYUDHWBXSA-N -1 0 293.388 2.483 50 0 CEAARM CC(C)CC(=O)N[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000097036677 185166132 /nfs/dbraw/zinc/16/61/32/185166132.db2.gz ZDYIYBKTKXRMRH-LBPRGKRZSA-N -1 0 271.263 2.253 50 0 CEAARM CCCC[C@@H](NC(=S)NCc1ccccc1)C(=O)[O-] ZINC000015837521 343370309 /nfs/dbraw/zinc/37/03/09/343370309.db2.gz BUIXJEYJSQVRBF-GFCCVEGCSA-N -1 0 280.393 2.294 50 0 CEAARM CCOC(Cn1c(=O)c2ccccc2[n-]c1=S)OCC ZINC000000425019 343350327 /nfs/dbraw/zinc/35/03/27/343350327.db2.gz MHASHXRRZBFQQK-UHFFFAOYSA-N -1 0 294.376 2.458 50 0 CEAARM C[C@@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])CCO1 ZINC000095456300 344236472 /nfs/dbraw/zinc/23/64/72/344236472.db2.gz BLORWIQDXOZGKD-VXNVDRBHSA-N -1 0 287.718 2.482 50 0 CEAARM Cc1oc(-c2ccc(C(=O)[O-])cc2)nc1CN(C)C ZINC000049454291 362363818 /nfs/dbraw/zinc/36/38/18/362363818.db2.gz YOAIPHQJBCMLEJ-UHFFFAOYSA-N -1 0 260.293 2.410 50 0 CEAARM CC(C)C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000104004048 344253655 /nfs/dbraw/zinc/25/36/55/344253655.db2.gz JIRRMIMDDZDMAX-LLVKDONJSA-N -1 0 273.361 2.401 50 0 CEAARM CC(C)[C@@H]1OC(=O)N(Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000096675761 344240916 /nfs/dbraw/zinc/24/09/16/344240916.db2.gz PXNKOCGTFYRCJV-RYUDHWBXSA-N -1 0 263.293 2.117 50 0 CEAARM CC(C)[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccncc1 ZINC000169987629 344483725 /nfs/dbraw/zinc/48/37/25/344483725.db2.gz WJTCNVPXFNLGHG-CYBMUJFWSA-N -1 0 278.352 2.396 50 0 CEAARM COC(=O)c1ccc(F)c(C[N-]C(=O)C(F)(F)Cl)c1 ZINC000170600969 344485754 /nfs/dbraw/zinc/48/57/54/344485754.db2.gz WVNONNRLOLUUOO-UHFFFAOYSA-N -1 0 295.644 2.060 50 0 CEAARM Cc1n[nH]cc1-c1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000584902461 345004099 /nfs/dbraw/zinc/00/40/99/345004099.db2.gz WIHGNJYFQLKCJE-UHFFFAOYSA-N -1 0 274.305 2.396 50 0 CEAARM O=C([O-])[C@H](NC(=O)Cc1cccc2ccccc21)C1CC1 ZINC000054500113 362535923 /nfs/dbraw/zinc/53/59/23/362535923.db2.gz PWPDOYKEUNBZPD-MRXNPFEDSA-N -1 0 283.327 2.362 50 0 CEAARM CO[N-]C(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000057307098 362577958 /nfs/dbraw/zinc/57/79/58/362577958.db2.gz OWUJGKJVSDVOJO-JTQLQIEISA-N -1 0 289.118 2.164 50 0 CEAARM O=C([O-])c1cc(O)cc(-c2ccc3c(c2)OCO3)c1 ZINC000065350675 362810944 /nfs/dbraw/zinc/81/09/44/362810944.db2.gz QHBLBWCMEKOGNS-UHFFFAOYSA-N -1 0 258.229 2.486 50 0 CEAARM Nc1ccccc1-c1nc(=O)c(-c2ccc(F)cc2)n[n-]1 ZINC000065532204 362831709 /nfs/dbraw/zinc/83/17/09/362831709.db2.gz JBERUQXPVIDTLX-UHFFFAOYSA-N -1 0 282.278 2.220 50 0 CEAARM COc1ccc(/C(C)=C\C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000606441278 347473485 /nfs/dbraw/zinc/47/34/85/347473485.db2.gz DMOLHDCGICPTGO-FUWURINLSA-N -1 0 289.331 2.032 50 0 CEAARM O=S(=O)(/C=C\c1ccccc1)[N-]CC(F)(F)F ZINC000606446275 347474768 /nfs/dbraw/zinc/47/47/68/347474768.db2.gz JVPIKOLTPIIKNJ-SREVYHEPSA-N -1 0 265.256 2.139 50 0 CEAARM O=C([O-])Cn1cnc(-c2ccccc2)c1-c1c[nH]cn1 ZINC000092062253 180315094 /nfs/dbraw/zinc/31/50/94/180315094.db2.gz XSWZCKSNIWHQNJ-UHFFFAOYSA-N -1 0 268.276 2.025 50 0 CEAARM CC(C)=CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069594695 362983259 /nfs/dbraw/zinc/98/32/59/362983259.db2.gz FIPPCVGQXOKJCF-UHFFFAOYSA-N -1 0 290.344 2.006 50 0 CEAARM O=C([O-])C1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 ZINC000630097570 351617948 /nfs/dbraw/zinc/61/79/48/351617948.db2.gz JJSHYRHNDSJKDJ-NWDGAFQWSA-N -1 0 279.361 2.175 50 0 CEAARM O=C([O-])Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000630235390 351667813 /nfs/dbraw/zinc/66/78/13/351667813.db2.gz WVYZSFQQEQTFTF-CQSZACIVSA-N -1 0 273.332 2.286 50 0 CEAARM CCC[C@H](NC(=O)c1cccc(C)c1Cl)c1nnn[n-]1 ZINC000123130359 187072660 /nfs/dbraw/zinc/07/26/60/187072660.db2.gz RBKALWUGZMKFOP-JTQLQIEISA-N -1 0 293.758 2.433 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCCCO2)c2ccccc21 ZINC000131954720 187599575 /nfs/dbraw/zinc/59/95/75/187599575.db2.gz VRTQTGGZPSFRRR-DGCLKSJQSA-N -1 0 289.331 2.161 50 0 CEAARM Cc1cc(-c2ccccc2)nc(O[C@@H](C)C(=O)[O-])n1 ZINC000071782032 363113749 /nfs/dbraw/zinc/11/37/49/363113749.db2.gz PRVKMTKFBVKFKJ-JTQLQIEISA-N -1 0 258.277 2.304 50 0 CEAARM C[C@@H](Cc1cccs1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136535690 187881426 /nfs/dbraw/zinc/88/14/26/187881426.db2.gz XAHMSAIBOVOSTC-CMPLNLGQSA-N -1 0 281.377 2.392 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccncc2Cl)CCCCC1 ZINC000091449142 304033000 /nfs/dbraw/zinc/03/30/00/304033000.db2.gz RDTJZQJLXBXFFQ-UHFFFAOYSA-N -1 0 282.727 2.252 50 0 CEAARM CCCc1nc(C)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])s1 ZINC000158492194 188379357 /nfs/dbraw/zinc/37/93/57/188379357.db2.gz KXLVUAZMTMVHSH-SNVBAGLBSA-N -1 0 296.392 2.483 50 0 CEAARM O=C([O-])C1=NC(=O)N[C@H](c2cccc3ccccc32)C1 ZINC000002580682 304035772 /nfs/dbraw/zinc/03/57/72/304035772.db2.gz VYKSQCXDJUBCKW-LBPRGKRZSA-N -1 0 268.272 2.162 50 0 CEAARM O=C([O-])C1=Nc2ccccc2[N-]C2=C1[NH+]1CCC2CC1 ZINC000034798089 304036573 /nfs/dbraw/zinc/03/65/73/304036573.db2.gz VIMVTXTUODIMFC-UHFFFAOYSA-N -1 0 269.304 2.206 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000237975358 304051193 /nfs/dbraw/zinc/05/11/93/304051193.db2.gz BEWBVNVUAKCTTF-MNOVXSKESA-N -1 0 281.739 2.425 50 0 CEAARM Cc1nsc(NC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000076089214 363519685 /nfs/dbraw/zinc/51/96/85/363519685.db2.gz BJPWIPCOODLITE-UHFFFAOYSA-N -1 0 269.713 2.458 50 0 CEAARM O=C([O-])CN(CC1CC1)C(=O)[C@H]1CCc2ccccc2C1 ZINC000223364031 540534594 /nfs/dbraw/zinc/53/45/94/540534594.db2.gz KPKNOTJEDSISCQ-HNNXBMFYSA-N -1 0 287.359 2.115 50 0 CEAARM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000236956951 370666123 /nfs/dbraw/zinc/66/61/23/370666123.db2.gz SCQFGURMTVPWNQ-RYUDHWBXSA-N -1 0 263.293 2.057 50 0 CEAARM O=C(NC[C@@H]1CCC[C@@H]1O)c1ccc2[n-]c(=S)oc2c1 ZINC000081467167 363720109 /nfs/dbraw/zinc/72/01/09/363720109.db2.gz MJVASYWDIUODRM-ONGXEEELSA-N -1 0 292.360 2.381 50 0 CEAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000253370143 304100566 /nfs/dbraw/zinc/10/05/66/304100566.db2.gz MPFJZZBXKIQBQV-XQHKEYJVSA-N -1 0 265.353 2.182 50 0 CEAARM CCN(CC)C(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000034322 361119065 /nfs/dbraw/zinc/11/90/65/361119065.db2.gz ZVXBLPHGFURFLX-UHFFFAOYSA-N -1 0 252.339 2.423 50 0 CEAARM CCc1cccc(CC)c1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000151457 361136119 /nfs/dbraw/zinc/13/61/19/361136119.db2.gz KKIVDCGOBHNFQC-LBPRGKRZSA-N -1 0 261.321 2.249 50 0 CEAARM Cc1nnc(NC(=O)c2cc(C)ccc2C(=O)[O-])s1 ZINC000000264562 361154601 /nfs/dbraw/zinc/15/46/01/361154601.db2.gz RDOAGXGPWOWCFV-UHFFFAOYSA-N -1 0 277.305 2.105 50 0 CEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 ZINC000000075070 361123720 /nfs/dbraw/zinc/12/37/20/361123720.db2.gz MZLDSYCNJZQTAJ-CYBMUJFWSA-N -1 0 298.298 2.187 50 0 biogenic,in-vitro CEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 ZINC000000077521 361124742 /nfs/dbraw/zinc/12/47/42/361124742.db2.gz ATEOULBATLXMHD-AWEZNQCLSA-N -1 0 287.290 2.251 50 0 CEAARM O=C([O-])c1cn(C2CC2)c2cc(F)c(F)cc2c1=O ZINC000000395932 361170901 /nfs/dbraw/zinc/17/09/01/361170901.db2.gz KNEXGVPHPGXAGF-UHFFFAOYSA-N -1 0 265.215 2.313 50 0 CEAARM CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@H]1C(=O)[O-] ZINC000001870268 361223860 /nfs/dbraw/zinc/22/38/60/361223860.db2.gz XBIXBUAXKCIZPA-ONGXEEELSA-N -1 0 263.318 2.120 50 0 CEAARM Cc1nc2ccccc2c(=O)n1-c1ccccc1C(=O)[O-] ZINC000002036073 361225750 /nfs/dbraw/zinc/22/57/50/361225750.db2.gz NVCRIJIVAAYRER-UHFFFAOYSA-N -1 0 280.283 2.392 50 0 CEAARM CCCOC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000002078032 361227313 /nfs/dbraw/zinc/22/73/13/361227313.db2.gz BZMNBIFAWMOQEI-UHFFFAOYSA-N -1 0 293.319 2.447 50 0 CEAARM CC(C)C[C@H](NC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000002377413 361232945 /nfs/dbraw/zinc/23/29/45/361232945.db2.gz MIGJIEBEFMCTCA-ZDUSSCGKSA-N -1 0 278.352 2.327 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccco1 ZINC000002511616 361237047 /nfs/dbraw/zinc/23/70/47/361237047.db2.gz NTIWANHPRXTWCF-MRVPVSSYSA-N -1 0 255.270 2.320 50 0 CEAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000002582954 361242473 /nfs/dbraw/zinc/24/24/73/361242473.db2.gz JFWQHAPICIFSGD-UHFFFAOYSA-N -1 0 253.254 2.437 50 0 CEAARM [NH3+][C@@H](c1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-] ZINC000002659689 361244400 /nfs/dbraw/zinc/24/44/00/361244400.db2.gz ZRDKCKVHKCTBQY-CYBMUJFWSA-N -1 0 263.233 2.489 50 0 CEAARM O=C([O-])Cn1c2ccccc2nc1-c1cscn1 ZINC000003426368 361279855 /nfs/dbraw/zinc/27/98/55/361279855.db2.gz QJFKGTPZZBLCJY-UHFFFAOYSA-N -1 0 259.290 2.244 50 0 CEAARM CN(C(=O)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC000003243189 361269685 /nfs/dbraw/zinc/26/96/85/361269685.db2.gz BXQPXKHBDUSPTQ-UHFFFAOYSA-N -1 0 285.299 2.427 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)OCc1ccccc1 ZINC000004262529 361307970 /nfs/dbraw/zinc/30/79/70/361307970.db2.gz QIAAZWPFGHTXNZ-OLZOCXBDSA-N -1 0 275.304 2.332 50 0 CEAARM CCN(CC)C(=O)CSc1ccccc1C(=O)[O-] ZINC000004016498 361297394 /nfs/dbraw/zinc/29/73/94/361297394.db2.gz QGKZOFWBYDIFLB-UHFFFAOYSA-N -1 0 267.350 2.345 50 0 CEAARM O=C([O-])C1=C(C(=O)NCc2ccccc2)CCCC1 ZINC000004588145 361323315 /nfs/dbraw/zinc/32/33/15/361323315.db2.gz VBPUMXPAHKOVBW-UHFFFAOYSA-N -1 0 259.305 2.258 50 0 CEAARM CSC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000008553288 361343137 /nfs/dbraw/zinc/34/31/37/361343137.db2.gz CFJDXKRKCMCKOD-RFZWMSCOSA-N -1 0 269.366 2.483 50 0 CEAARM O=C([O-])CCC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000010296457 361349685 /nfs/dbraw/zinc/34/96/85/361349685.db2.gz WBZMRAHGLRKFCE-CYBMUJFWSA-N -1 0 293.319 2.048 50 0 CEAARM O=C([O-])c1cc2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000011956293 361370622 /nfs/dbraw/zinc/37/06/22/361370622.db2.gz JNTLHGKXOYQRHC-UHFFFAOYSA-N -1 0 257.167 2.245 50 0 CEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CCCC1 ZINC000010720923 361354201 /nfs/dbraw/zinc/35/42/01/361354201.db2.gz KQCHKWPWXDRYCE-UHFFFAOYSA-N -1 0 291.376 2.133 50 0 CEAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1 ZINC000012541646 361389616 /nfs/dbraw/zinc/38/96/16/361389616.db2.gz KAWYUTYWPFNXQD-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000013179103 361423589 /nfs/dbraw/zinc/42/35/89/361423589.db2.gz IIRKBFZCDXOLPC-UHTWSYAYSA-N -1 0 261.321 2.283 50 0 CEAARM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)o1 ZINC000013092193 361418253 /nfs/dbraw/zinc/41/82/53/361418253.db2.gz ZFNNJUWQFJJROY-UHFFFAOYSA-N -1 0 259.261 2.216 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000015989066 361481362 /nfs/dbraw/zinc/48/13/62/361481362.db2.gz MYYQPSOBPGLTMO-BXKDBHETSA-N -1 0 280.324 2.316 50 0 CEAARM Cc1nn2c([n-]1)nc(C)c(Cc1ccccc1C)c2=O ZINC000018223185 361518082 /nfs/dbraw/zinc/51/80/82/361518082.db2.gz KSASRCUGFGINLP-UHFFFAOYSA-N -1 0 268.320 2.346 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc2ccccc2c1 ZINC000019274943 361524919 /nfs/dbraw/zinc/52/49/19/361524919.db2.gz XBESKXQSWXHBCE-OAHLLOKOSA-N -1 0 283.327 2.458 50 0 CEAARM O=C([O-])CC1(NC(=O)CCc2cccnc2)CCCCC1 ZINC000084146723 363799424 /nfs/dbraw/zinc/79/94/24/363799424.db2.gz NWZWSNPTWZCEHA-UHFFFAOYSA-N -1 0 290.363 2.308 50 0 CEAARM COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000019386742 361530156 /nfs/dbraw/zinc/53/01/56/361530156.db2.gz IIQLZUFRZAJAHH-JTQLQIEISA-N -1 0 283.711 2.038 50 0 CEAARM COc1ccc(-c2cnn3c2ncc(C(=O)[O-])c3C)cc1 ZINC000020342929 361583145 /nfs/dbraw/zinc/58/31/45/361583145.db2.gz BBYSEFMYAXXNHR-UHFFFAOYSA-N -1 0 283.287 2.412 50 0 CEAARM O=C([O-])Cc1csc(SCc2ccccn2)n1 ZINC000026423501 361640277 /nfs/dbraw/zinc/64/02/77/361640277.db2.gz XONCYHAFHHZEIO-UHFFFAOYSA-N -1 0 266.347 2.458 50 0 CEAARM C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237412580 370718785 /nfs/dbraw/zinc/71/87/85/370718785.db2.gz LBUHPZYWMQQODK-CMPLNLGQSA-N -1 0 287.315 2.469 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccsc2)C1 ZINC000237952208 370763358 /nfs/dbraw/zinc/76/33/58/370763358.db2.gz OLUIMNMOXYGYHZ-NSHDSACASA-N -1 0 267.350 2.004 50 0 CEAARM Cc1oc(-c2ccco2)nc1CN1CCC[C@H]1C(=O)[O-] ZINC000237661813 370742429 /nfs/dbraw/zinc/74/24/29/370742429.db2.gz SLANOTDZXXUEDV-NSHDSACASA-N -1 0 276.292 2.292 50 0 CEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237681760 370743870 /nfs/dbraw/zinc/74/38/70/370743870.db2.gz SKKKMAAESJDBSI-HUUCEWRRSA-N -1 0 287.359 2.422 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)COC2CCCCC2)C1 ZINC000238002189 370765790 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ZINC000094595289 364282629 /nfs/dbraw/zinc/28/26/29/364282629.db2.gz BAAQNSRPARYDSO-UHFFFAOYSA-N -1 0 279.189 2.049 50 0 CEAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000094951612 364314510 /nfs/dbraw/zinc/31/45/10/364314510.db2.gz NDGWDOWYMVWUKT-GDPRMGEGSA-N -1 0 265.284 2.032 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccccc2F)Cc2ccccc2C1 ZINC000095424507 364371391 /nfs/dbraw/zinc/37/13/91/364371391.db2.gz IYFASKFQUQSNOU-UHFFFAOYSA-N -1 0 299.301 2.178 50 0 CEAARM COc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000095447334 364383114 /nfs/dbraw/zinc/38/31/14/364383114.db2.gz JELCDYZZEKTLJI-UHFFFAOYSA-N -1 0 292.360 2.341 50 0 CEAARM CCc1cc(C)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000097050068 364433167 /nfs/dbraw/zinc/43/31/67/364433167.db2.gz PEWLSXHJPKYWIR-LLVKDONJSA-N -1 0 265.309 2.230 50 0 CEAARM C[C@@H](CN(C(=O)Cc1ccsc1)C1CC1)C(=O)[O-] ZINC000097231881 364482307 /nfs/dbraw/zinc/48/23/07/364482307.db2.gz UIVRASIRJLMJOJ-VIFPVBQESA-N -1 0 267.350 2.002 50 0 CEAARM O=C(c1n[nH]nc1C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000100227912 364542409 /nfs/dbraw/zinc/54/24/09/364542409.db2.gz VZIPTCHDFIENBA-UHFFFAOYSA-N -1 0 291.616 2.414 50 0 CEAARM O=c1c2c(nc3[n-]ncn31)-c1ccccc1CC21CCCC1 ZINC000100504746 364547786 /nfs/dbraw/zinc/54/77/86/364547786.db2.gz MNIAMIAMHBVOHN-UHFFFAOYSA-N -1 0 292.342 2.453 50 0 CEAARM CCC1C(=O)N(c2ccccc2C)C(=S)N=C1[O-] ZINC000100609670 364548068 /nfs/dbraw/zinc/54/80/68/364548068.db2.gz WVHSFJHGTBIHSA-UHFFFAOYSA-N -1 0 262.334 2.098 50 0 CEAARM CCc1ccccc1NC(=O)c1c[n-]n2c1nc(C)cc2=O ZINC000101299494 364555921 /nfs/dbraw/zinc/55/59/21/364555921.db2.gz FSSGAIFGKWDIAI-UHFFFAOYSA-N -1 0 296.330 2.146 50 0 CEAARM CN(C)c1ccc(-c2ccc(CCC(=O)[O-])cc2)nn1 ZINC000215882482 189697937 /nfs/dbraw/zinc/69/79/37/189697937.db2.gz FVTNMWVHYDBBLJ-UHFFFAOYSA-N -1 0 271.320 2.227 50 0 CEAARM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccnc1 ZINC000224560145 189742450 /nfs/dbraw/zinc/74/24/50/189742450.db2.gz HPCVJCTXJXDQQL-QJPTWQEYSA-N -1 0 276.336 2.150 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1C1CC1 ZINC000091575242 304130290 /nfs/dbraw/zinc/13/02/90/304130290.db2.gz VIMBQDAOHBJDPQ-QWHCGFSZSA-N -1 0 280.368 2.071 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)cn2)c(C)o1 ZINC000170609186 367387631 /nfs/dbraw/zinc/38/76/31/367387631.db2.gz VCDHHOZTIPUGQA-UHFFFAOYSA-N -1 0 287.728 2.141 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)[O-] ZINC000170625477 367388341 /nfs/dbraw/zinc/38/83/41/367388341.db2.gz HLQXKQGHAHTZHI-YGRLFVJLSA-N -1 0 288.347 2.407 50 0 CEAARM CCC(CC)(CC(=O)N1CC(C)(C)OC[C@@H]1C)C(=O)[O-] ZINC000634930989 368969972 /nfs/dbraw/zinc/96/99/72/368969972.db2.gz RRBMAVLDQNFWAL-NSHDSACASA-N -1 0 285.384 2.293 50 0 CEAARM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC000195541448 370138498 /nfs/dbraw/zinc/13/84/98/370138498.db2.gz KCLOAYATLXIAHB-QWHCGFSZSA-N -1 0 261.321 2.114 50 0 CEAARM Cc1nn(-c2ccccc2)cc1CN1CC=C[C@@H]1C(=O)[O-] ZINC000223149419 370261428 /nfs/dbraw/zinc/26/14/28/370261428.db2.gz 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CCC[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1)CCCO2 ZINC000426477976 377409792 /nfs/dbraw/zinc/40/97/92/377409792.db2.gz IAAVZRFZLKTVHS-CYBMUJFWSA-N -1 0 291.347 2.385 50 0 CEAARM Cc1cccc([C@H](NC(=O)NC2CCCC2)C(=O)[O-])c1 ZINC000426489954 377410915 /nfs/dbraw/zinc/41/09/15/377410915.db2.gz CMGIRGSRZJWORQ-ZDUSSCGKSA-N -1 0 276.336 2.363 50 0 CEAARM O=C([O-])c1n[nH]cc1CN1CCCC[C@@H]1c1ccccn1 ZINC000097742875 304216435 /nfs/dbraw/zinc/21/64/35/304216435.db2.gz FUXNWUWDRUVMGM-CYBMUJFWSA-N -1 0 286.335 2.230 50 0 CEAARM O=C([O-])c1c(Br)ccnc1Br ZINC000086037102 304216733 /nfs/dbraw/zinc/21/67/33/304216733.db2.gz MJSYWAFSWWCKTB-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM Cc1nc(CC(C)C)sc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000299740941 379125736 /nfs/dbraw/zinc/12/57/36/379125736.db2.gz CICJLOXGUONQQX-JTQLQIEISA-N -1 0 296.392 2.339 50 0 CEAARM O=C([O-])c1ccccc1SCC(=O)N1CCCCC1 ZINC000000054572 169519646 /nfs/dbraw/zinc/51/96/46/169519646.db2.gz CNQMXDHBVWJPBP-UHFFFAOYSA-N -1 0 279.361 2.489 50 0 CEAARM 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50 0 CEAARM C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000095424183 184977508 /nfs/dbraw/zinc/97/75/08/184977508.db2.gz QTQRIIYCMZJNNM-MNOVXSKESA-N -1 0 281.377 2.250 50 0 CEAARM O=C([O-])c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000011894858 304281814 /nfs/dbraw/zinc/28/18/14/304281814.db2.gz CDLVCRVTSGOFKM-UHFFFAOYSA-N -1 0 263.274 2.280 50 0 CEAARM O=C([O-])c1nc(Br)ccc1Br ZINC000038537524 304283264 /nfs/dbraw/zinc/28/32/64/304283264.db2.gz YHHZRFKRFAFHRJ-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM O=C([O-])c1nn(-c2ccc(F)cc2)c(=O)c2ccccc21 ZINC000001399920 304284386 /nfs/dbraw/zinc/28/43/86/304284386.db2.gz GJJFZXLCAQWQPG-UHFFFAOYSA-N -1 0 284.246 2.223 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cccs1 ZINC000250105197 131123637 /nfs/dbraw/zinc/12/36/37/131123637.db2.gz ZNNVMVALFFMOTA-AEJSXWLSSA-N -1 0 265.334 2.132 50 0 CEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(C)C)c2=O ZINC000100447695 292018452 /nfs/dbraw/zinc/01/84/52/292018452.db2.gz LVSDBFMGXPXKJI-UHFFFAOYSA-N -1 0 292.360 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/nfs/dbraw/zinc/03/06/16/154030616.db2.gz MGJDQERHMANMKF-CXAGYDPISA-N -1 0 287.359 2.335 50 0 CEAARM C[C@@]1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1(F)F ZINC000263289021 154047901 /nfs/dbraw/zinc/04/79/01/154047901.db2.gz YKYIITLZPVYKBY-LBPRGKRZSA-N -1 0 287.237 2.437 50 0 CEAARM CC[C@H](Oc1ccccc1C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263333954 154061815 /nfs/dbraw/zinc/06/18/15/154061815.db2.gz QMHBJFYIUCTVEM-STQMWFEESA-N -1 0 291.347 2.228 50 0 CEAARM C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000263355117 154064771 /nfs/dbraw/zinc/06/47/71/154064771.db2.gz WRSYTJFYYSVPBY-AXFHLTTASA-N -1 0 265.309 2.300 50 0 CEAARM CCOc1ccccc1[C@H]1[C@H](C(=O)[O-])CCC(=O)N1C ZINC000040488282 286582836 /nfs/dbraw/zinc/58/28/36/286582836.db2.gz BJFJEJRRWSCHLL-RISCZKNCSA-N -1 0 277.320 2.079 50 0 CEAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)C=C(C)C)C1 ZINC000091986108 292384381 /nfs/dbraw/zinc/38/43/81/292384381.db2.gz LSNOYHKVHVAMCC-OAHLLOKOSA-N -1 0 283.368 2.073 50 0 CEAARM CC(C)[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC000002431920 169791741 /nfs/dbraw/zinc/79/17/41/169791741.db2.gz OIWORGWTVTYVFD-PWSUYJOCSA-N -1 0 264.325 2.156 50 0 CEAARM O=C([O-])c1cccc(OCn2cc(Cl)cn2)c1 ZINC000002535520 169804319 /nfs/dbraw/zinc/80/43/19/169804319.db2.gz IHUONGNZWDFLNV-UHFFFAOYSA-N -1 0 252.657 2.271 50 0 CEAARM CCn1ncc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC000002762032 169826538 /nfs/dbraw/zinc/82/65/38/169826538.db2.gz NFENBIQSDSFINO-UHFFFAOYSA-N -1 0 273.292 2.162 50 0 CEAARM CCOc1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1 ZINC000002769247 169827943 /nfs/dbraw/zinc/82/79/43/169827943.db2.gz ZKZJPTJTKLQEPZ-SNVBAGLBSA-N -1 0 265.309 2.127 50 0 CEAARM O=C([O-])c1ccccc1SCC(=O)NCc1ccco1 ZINC000003318052 169878226 /nfs/dbraw/zinc/87/82/26/169878226.db2.gz LWUOGLXOMWHUER-UHFFFAOYSA-N -1 0 291.328 2.386 50 0 CEAARM COc1cc(C)cc2oc(=O)c(CC(=O)[O-])c(C)c12 ZINC000004749286 170011049 /nfs/dbraw/zinc/01/10/49/170011049.db2.gz OOPOQJUVKPZTSI-UHFFFAOYSA-N -1 0 262.261 2.046 50 0 CEAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000005249535 170079157 /nfs/dbraw/zinc/07/91/57/170079157.db2.gz HNCQSDBPRWIQPC-UHFFFAOYSA-N -1 0 262.334 2.499 50 0 CEAARM O=C([O-])C1=NC(=O)N[C@H](c2cccc(Cl)c2Cl)C1 ZINC000005517529 170107145 /nfs/dbraw/zinc/10/71/45/170107145.db2.gz BZOSXVJJEMFCIF-ZETCQYMHSA-N -1 0 287.102 2.316 50 0 CEAARM COCCn1c(=O)c2c(C)c(C)sc2[n-]c1=S ZINC000005695523 170129797 /nfs/dbraw/zinc/12/97/97/170129797.db2.gz PIOFDWSEMKVXDU-UHFFFAOYSA-N -1 0 270.379 2.384 50 0 CEAARM O=c1c(-c2ccccn2)coc2cc([O-])cc(O)c12 ZINC000006534275 170211136 /nfs/dbraw/zinc/21/11/36/170211136.db2.gz MAVBOWDRNHRQLC-UHFFFAOYSA-N -1 0 255.229 2.266 50 0 CEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1 ZINC000006913876 170255020 /nfs/dbraw/zinc/25/50/20/170255020.db2.gz UWFJQZNRSISVNJ-UHFFFAOYSA-N -1 0 297.357 2.336 50 0 CEAARM Cc1cc(=O)[nH]c(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000008700765 170346873 /nfs/dbraw/zinc/34/68/73/170346873.db2.gz PUCLDVOIXVHDFG-NSHDSACASA-N -1 0 276.317 2.409 50 0 CEAARM CCCCn1nc(C)c(-c2cc(C(=O)[O-])n[nH]2)c1C ZINC000008740808 170353335 /nfs/dbraw/zinc/35/33/35/170353335.db2.gz BSUAMELCXIVJLE-UHFFFAOYSA-N -1 0 262.313 2.388 50 0 CEAARM CCOC(=O)c1c[n-]c2cc(F)cc(F)c2c1=O ZINC000008870908 170357792 /nfs/dbraw/zinc/35/77/92/170357792.db2.gz FKEQWKWWJBDSFH-UHFFFAOYSA-N -1 0 253.204 2.395 50 0 CEAARM CCNc1cnn(-c2ccc(C(=O)[O-])cc2)c(=O)c1Cl ZINC000009254162 170368554 /nfs/dbraw/zinc/36/85/54/170368554.db2.gz ZGZFQHBMIYMKCF-UHFFFAOYSA-N -1 0 293.710 2.016 50 0 CEAARM Cc1n[nH]c(SC(=Cc2ccccc2)C(=O)[O-])n1 ZINC000009328261 170372236 /nfs/dbraw/zinc/37/22/36/170372236.db2.gz WOHCJTFSOQCTBE-YFHOEESVSA-N -1 0 261.306 2.331 50 0 CEAARM CC[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000019258129 170760360 /nfs/dbraw/zinc/76/03/60/170760360.db2.gz HQVGCMKPDWKAJU-QMTHXVAHSA-N -1 0 288.347 2.326 50 0 CEAARM O=C1[N-]C(=O)[C@H](N2CCC(c3ccccc3)CC2)S1 ZINC000020444445 171205493 /nfs/dbraw/zinc/20/54/93/171205493.db2.gz XGKKIFWQYYLIBC-CYBMUJFWSA-N -1 0 276.361 2.175 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2cccc(Cl)c2)cn1C ZINC000021940657 171338120 /nfs/dbraw/zinc/33/81/20/171338120.db2.gz IXCPALHAJWCZKA-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM CNS(=O)(=O)c1ccc(-c2cccs2)c(C(=O)[O-])c1 ZINC000021950930 171339853 /nfs/dbraw/zinc/33/98/53/171339853.db2.gz PUOCKBRDRBVSBT-UHFFFAOYSA-N -1 0 297.357 2.021 50 0 CEAARM O=C([O-])CCCNC(=O)c1ccccc1C(F)(F)F ZINC000021957269 171341981 /nfs/dbraw/zinc/34/19/81/171341981.db2.gz AFQFEWJEBVCUOW-UHFFFAOYSA-N -1 0 275.226 2.300 50 0 CEAARM O=C([O-])c1sccc1NC(=O)c1ccc2c(c1)OCO2 ZINC000022149164 171357830 /nfs/dbraw/zinc/35/78/30/171357830.db2.gz HVMRZQRPAGGWIV-UHFFFAOYSA-N -1 0 291.284 2.427 50 0 CEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1sccc1C ZINC000022637541 171395344 /nfs/dbraw/zinc/39/53/44/171395344.db2.gz ZMHHJEIZBUKINP-WCBMZHEXSA-N -1 0 271.363 2.104 50 0 CEAARM COc1cccc(/C=C/C(=O)[O-])c1OCc1cnn(C)c1 ZINC000035413411 172186094 /nfs/dbraw/zinc/18/60/94/172186094.db2.gz NBEPLSAMUFGCPT-VOTSOKGWSA-N -1 0 288.303 2.106 50 0 CEAARM O=C([O-])C1(NC(=O)c2cc(F)ccc2F)CCCC1 ZINC000037329690 173131440 /nfs/dbraw/zinc/13/14/40/173131440.db2.gz FAZMUNMIAKSMGI-UHFFFAOYSA-N -1 0 269.247 2.092 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)c1cc2c(s1)CCCC2 ZINC000037412382 173189257 /nfs/dbraw/zinc/18/92/57/173189257.db2.gz LTAFHQQKEGHCID-QMMMGPOBSA-N -1 0 267.350 2.220 50 0 CEAARM CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037517953 173248828 /nfs/dbraw/zinc/24/88/28/173248828.db2.gz XECAIINIVGBGMT-MNOVXSKESA-N -1 0 267.712 2.019 50 0 CEAARM O=C([O-])[C@@H]1C[C@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000653329166 414987159 /nfs/dbraw/zinc/98/71/59/414987159.db2.gz RWTFHPZBMQWLMT-KGLIPLIRSA-N -1 0 271.316 2.382 50 0 CEAARM O=C([O-])[C@H]1C[C@H](NC(=O)C2CC=CC2)c2ccccc21 ZINC000653329165 414987208 /nfs/dbraw/zinc/98/72/08/414987208.db2.gz RWTFHPZBMQWLMT-KBPBESRZSA-N -1 0 271.316 2.382 50 0 CEAARM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c(C)s1 ZINC000043509685 175060106 /nfs/dbraw/zinc/06/01/06/175060106.db2.gz JKPRYXGLXSOBIN-LBPRGKRZSA-N -1 0 285.390 2.055 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 ZINC000043583692 175070550 /nfs/dbraw/zinc/07/05/50/175070550.db2.gz MVDPCELOHPVRAH-SYTKJHMZSA-N -1 0 277.320 2.396 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000043583363 175070607 /nfs/dbraw/zinc/07/06/07/175070607.db2.gz JGDSWUJTMIDVBJ-GFCCVEGCSA-N -1 0 261.321 2.404 50 0 CEAARM O=C([O-])Cn1nc(-c2cccc3ccccc32)ccc1=O ZINC000061719380 175653739 /nfs/dbraw/zinc/65/37/39/175653739.db2.gz NUXDIHHWPHFCEI-UHFFFAOYSA-N -1 0 280.283 2.148 50 0 CEAARM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)CC(C)(C)O1 ZINC000041684755 296923978 /nfs/dbraw/zinc/92/39/78/296923978.db2.gz LHWFDFZCOOLOJU-SNVBAGLBSA-N -1 0 277.320 2.024 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000037517368 260113726 /nfs/dbraw/zinc/11/37/26/260113726.db2.gz YMGHHZVRIOHUOF-NXEZZACHSA-N -1 0 287.237 2.042 50 0 CEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)o1 ZINC000227471152 270310515 /nfs/dbraw/zinc/31/05/15/270310515.db2.gz SGOQCPZJLMWBIK-STMAAGIXSA-N -1 0 289.331 2.349 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000005422578 287657140 /nfs/dbraw/zinc/65/71/40/287657140.db2.gz YKCGDGCCAXYKJI-IRCOFANPSA-N -1 0 270.373 2.364 50 0 CEAARM CC(C)C[C@@H](NC(=O)C1CCC(C)CC1)C(=O)[O-] ZINC000002601573 278997146 /nfs/dbraw/zinc/99/71/46/278997146.db2.gz YXTQGCYMEPGJMQ-HTAVTVPLSA-N -1 0 255.358 2.428 50 0 CEAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCSCC1 ZINC000095390070 295151784 /nfs/dbraw/zinc/15/17/84/295151784.db2.gz KCOYVDLEUPXENO-LBPRGKRZSA-N -1 0 285.340 2.009 50 0 CEAARM COc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000136533913 295233641 /nfs/dbraw/zinc/23/36/41/295233641.db2.gz XHBUEQFFPCRLJG-SMDDNHRTSA-N -1 0 291.347 2.264 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000062913995 300783906 /nfs/dbraw/zinc/78/39/06/300783906.db2.gz ZKGBMHRJMJMLLU-YOEHRIQHSA-N -1 0 287.359 2.430 50 0 CEAARM Cc1cc(Br)c2nc(C(=O)[O-])cn2c1 ZINC000036243562 301069176 /nfs/dbraw/zinc/06/91/76/301069176.db2.gz FTSQYAYTUUQLBF-UHFFFAOYSA-N -1 0 255.071 2.103 50 0 CEAARM Cc1cc(F)ccc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000262803242 301309843 /nfs/dbraw/zinc/30/98/43/301309843.db2.gz RVDBGZBZXIKWSP-VIFPVBQESA-N -1 0 265.284 2.212 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100555248 301532760 /nfs/dbraw/zinc/53/27/60/301532760.db2.gz HFSSAWJPQSZVAL-RYUDHWBXSA-N -1 0 287.315 2.373 50 0 CEAARM Cc1ccc(N2c3ncccc3S(=O)(=O)[N-]C2=O)cc1 ZINC000065255438 301631747 /nfs/dbraw/zinc/63/17/47/301631747.db2.gz VCRHRTKPLWAETQ-UHFFFAOYSA-N -1 0 289.316 2.144 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000097035816 302309878 /nfs/dbraw/zinc/30/98/78/302309878.db2.gz LCDQNLHWRGHJOW-AEJSXWLSSA-N -1 0 267.350 2.139 50 0 CEAARM Cc1nc2c(C)cc(Br)cn2c1C(=O)[O-] ZINC000036244294 302646913 /nfs/dbraw/zinc/64/69/13/302646913.db2.gz CMRIOCRUCWEZTI-UHFFFAOYSA-N -1 0 269.098 2.412 50 0 CEAARM Cc1n[n-]c(=NC[C@@H](O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000534584126 328310621 /nfs/dbraw/zinc/31/06/21/328310621.db2.gz BMFIPVRRUDVXLS-OEXLFXSVSA-N -1 0 293.436 2.258 50 0 CEAARM Cc1n[nH]cc1-c1ccc(OC[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000534578988 328311029 /nfs/dbraw/zinc/31/10/29/328311029.db2.gz NGTDDIFOLXRMRP-WCQYABFASA-N -1 0 272.304 2.485 50 0 CEAARM Cn1ccnc1-c1ccc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000534676920 328352079 /nfs/dbraw/zinc/35/20/79/328352079.db2.gz FEELIBPTNWWATJ-UHFFFAOYSA-N -1 0 280.287 2.242 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2cccn2C2CC2)cc1 ZINC000036856300 328447909 /nfs/dbraw/zinc/44/79/09/328447909.db2.gz FSUNBEVXFIYAIW-UHFFFAOYSA-N -1 0 284.315 2.451 50 0 CEAARM O=C([O-])CCC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000050922418 527573081 /nfs/dbraw/zinc/57/30/81/527573081.db2.gz CDDNJFCXVGZNQZ-CYBMUJFWSA-N -1 0 265.353 2.446 50 0 CEAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cc(C)nc(C)c1 ZINC000426387242 528897013 /nfs/dbraw/zinc/89/70/13/528897013.db2.gz JAMOJCWXFOKEBR-CYBMUJFWSA-N -1 0 278.352 2.462 50 0 CEAARM O=C([O-])CCOc1ccc(OC(F)(F)F)cc1 ZINC000075881224 623659726 /nfs/dbraw/zinc/65/97/26/623659726.db2.gz FWQPWGJUZZXLPN-UHFFFAOYSA-N -1 0 250.172 2.439 50 0 CEAARM COc1ccc(Nc2nsc3c2[nH]c(=O)cc3[O-])cc1 ZINC000004810481 628705062 /nfs/dbraw/zinc/70/50/62/628705062.db2.gz SKEZUYOOWVUHRW-UHFFFAOYSA-N -1 0 289.316 2.442 50 0 CEAARM O=C(OCc1nnn[n-]1)C1CCC(c2ccccc2)CC1 ZINC000888099213 628868062 /nfs/dbraw/zinc/86/80/62/628868062.db2.gz CULJYBAFGKUJQO-UHFFFAOYSA-N -1 0 286.335 2.217 50 0 CEAARM CC(=O)N/C(=C\c1ccc(CC(C)C)cc1)C(=O)[O-] ZINC000585672403 805677796 /nfs/dbraw/zinc/67/77/96/805677796.db2.gz AHWUXTZUSLIMOF-ZROIWOOFSA-N -1 0 261.321 2.447 50 0 CEAARM C[C@@H](NC(=O)NCc1ccc2sccc2c1)C(=O)[O-] ZINC000952966748 815090749 /nfs/dbraw/zinc/09/07/49/815090749.db2.gz WXPQGZUBGSOAQG-MRVPVSSYSA-N -1 0 278.333 2.174 50 0 CEAARM CC[C@H](NC(=O)Cc1cccc2ccccc21)c1nnn[n-]1 ZINC000584906899 813604648 /nfs/dbraw/zinc/60/46/48/813604648.db2.gz 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/nfs/dbraw/zinc/04/76/24/185047624.db2.gz KWCOYAPWENQTEM-LLVKDONJSA-N -1 0 291.322 2.181 50 0 CEAARM Cn1cc(CCC(=O)NC(C)(C)C(=O)[O-])c2ccccc21 ZINC000095989398 185057763 /nfs/dbraw/zinc/05/77/63/185057763.db2.gz NOTHOZKAOGVQFK-UHFFFAOYSA-N -1 0 288.347 2.090 50 0 CEAARM O=S(=O)([N-]c1ncccn1)c1cccc2ccccc21 ZINC000095995662 185060002 /nfs/dbraw/zinc/06/00/02/185060002.db2.gz YTUSYEVLXQMXAM-UHFFFAOYSA-N -1 0 285.328 2.431 50 0 CEAARM CC(C)c1noc(-c2ccc(OCC(=O)[O-])cc2)n1 ZINC000032578990 361744014 /nfs/dbraw/zinc/74/40/14/361744014.db2.gz AYWNEGGMOXVOLE-UHFFFAOYSA-N -1 0 262.265 2.323 50 0 CEAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000033443293 361780081 /nfs/dbraw/zinc/78/00/81/361780081.db2.gz AERPOHXQCCQYQL-VIFPVBQESA-N -1 0 290.344 2.321 50 0 CEAARM Cc1cccc(NC(=O)c2nnc(CCC(=O)[O-])s2)c1 ZINC000034927205 361797603 /nfs/dbraw/zinc/79/76/03/361797603.db2.gz QRRORNSZZSWZOF-UHFFFAOYSA-N -1 0 291.332 2.116 50 0 CEAARM Cc1cccnc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000033747662 361784070 /nfs/dbraw/zinc/78/40/70/361784070.db2.gz ONWRLLUWNRJFFH-UHFFFAOYSA-N -1 0 282.752 2.266 50 0 CEAARM CCC1(CC)C(=O)N[C@@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000034398889 361789200 /nfs/dbraw/zinc/78/92/00/361789200.db2.gz UTLUYICMMIGEFD-CYBMUJFWSA-N -1 0 263.293 2.026 50 0 CEAARM CCc1nc2ccc(Br)cn2c1C(=O)[O-] ZINC000036258910 361837625 /nfs/dbraw/zinc/83/76/25/361837625.db2.gz VWBVAWPUIDIDNW-UHFFFAOYSA-N -1 0 269.098 2.357 50 0 CEAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1F ZINC000036924486 361870129 /nfs/dbraw/zinc/87/01/29/361870129.db2.gz DQUBXEHYVQKTMQ-UHFFFAOYSA-N -1 0 265.284 2.261 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000097035539 185166409 /nfs/dbraw/zinc/16/64/09/185166409.db2.gz ULSSSBKIYIWWGS-ZIAGYGMSSA-N -1 0 273.332 2.146 50 0 CEAARM C[C@@H]1OCCC[C@@H]1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000621558535 349633562 /nfs/dbraw/zinc/63/35/62/349633562.db2.gz IUKNSTNWCFVYNX-HZMBPMFUSA-N -1 0 289.331 2.042 50 0 CEAARM C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccc(Cl)c1)C(=O)[O-] ZINC000042696355 362112645 /nfs/dbraw/zinc/11/26/45/362112645.db2.gz RGRQFMUDPRIVLW-NXEZZACHSA-N -1 0 299.754 2.286 50 0 CEAARM COc1cc(C(=O)[O-])nn1-c1ccccc1Cl ZINC000045929925 362169758 /nfs/dbraw/zinc/16/97/58/362169758.db2.gz PBEJMUOZISAFEK-UHFFFAOYSA-N -1 0 252.657 2.233 50 0 CEAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccccn1 ZINC000004450527 343353171 /nfs/dbraw/zinc/35/31/71/343353171.db2.gz BKSQFRYSINSIHN-ZJUUUORDSA-N -1 0 280.711 2.254 50 0 CEAARM O=C([O-])Cc1c(F)c(F)cc(F)c1Br ZINC000048524094 343530938 /nfs/dbraw/zinc/53/09/38/343530938.db2.gz GOPGYFRFABKNHN-UHFFFAOYSA-N -1 0 269.016 2.494 50 0 CEAARM CCc1nc(C)sc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426623129 529730668 /nfs/dbraw/zinc/73/06/68/529730668.db2.gz XSJYLQRARBCQSC-VHSXEESVSA-N -1 0 296.392 2.131 50 0 CEAARM C[C@@H](C(=O)[O-])c1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000075250424 343843501 /nfs/dbraw/zinc/84/35/01/343843501.db2.gz LYZODJYPNREMPI-ZCFIWIBFSA-N -1 0 296.124 2.422 50 0 CEAARM Cc1cc([C@H](C)NC(=O)C2(C(=O)[O-])CC2)cc(C)c1F ZINC000118983977 344292865 /nfs/dbraw/zinc/29/28/65/344292865.db2.gz OEFNZVZEUQRNIS-JTQLQIEISA-N -1 0 279.311 2.485 50 0 CEAARM CCc1c(NC(=O)c2ncccc2[O-])cnn1CC(C)C ZINC000097102526 344242605 /nfs/dbraw/zinc/24/26/05/344242605.db2.gz HESOPYDSKVJQHL-UHFFFAOYSA-N -1 0 288.351 2.454 50 0 CEAARM Cc1cccc(CCC(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000051967214 362453757 /nfs/dbraw/zinc/45/37/57/362453757.db2.gz SOGBRDDLSCVGPU-OAHLLOKOSA-N -1 0 293.388 2.004 50 0 CEAARM COc1ccc(CCC(=O)N(C)[C@H](C)C(=O)[O-])cc1Cl ZINC000054051621 362506319 /nfs/dbraw/zinc/50/63/19/362506319.db2.gz QDMBGOLLKNATBZ-SECBINFHSA-N -1 0 299.754 2.213 50 0 CEAARM C[C@@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)[O-] ZINC000054310032 362527385 /nfs/dbraw/zinc/52/73/85/362527385.db2.gz WRILTLOHEUQHBP-VIFPVBQESA-N -1 0 299.754 2.334 50 0 CEAARM CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000059984138 362655013 /nfs/dbraw/zinc/65/50/13/362655013.db2.gz XAEMKHDVDVQHCA-LBPRGKRZSA-N -1 0 285.290 2.123 50 0 CEAARM CCSCCc1nc(-c2ccc(C)o2)nn1CC(=O)[O-] ZINC000097732832 185657716 /nfs/dbraw/zinc/65/77/16/185657716.db2.gz HRVMJBUPBWXFMI-UHFFFAOYSA-N -1 0 295.364 2.227 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCCc2cccs2)C1 ZINC000062912823 362733120 /nfs/dbraw/zinc/73/31/20/362733120.db2.gz MJYVQJVFRGNRMJ-AWEZNQCLSA-N -1 0 281.377 2.394 50 0 CEAARM Cc1nn(C)c(C)c1[C@@H](CC(=O)[O-])C(F)(F)F ZINC000062944030 362736044 /nfs/dbraw/zinc/73/60/44/362736044.db2.gz BHMTWQDZLMOZGV-SSDOTTSWSA-N -1 0 250.220 2.158 50 0 CEAARM CCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063864560 362776588 /nfs/dbraw/zinc/77/65/88/362776588.db2.gz UULSDAVTPJHETN-UHFFFAOYSA-N -1 0 277.349 2.480 50 0 CEAARM COc1cccc(/C(C)=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000606441092 347473222 /nfs/dbraw/zinc/47/32/22/347473222.db2.gz OQJNXYTXMHRKIM-BIRHUZIMSA-N -1 0 289.331 2.032 50 0 CEAARM COc1ccccc1/C(C)=C\C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000606441930 347473871 /nfs/dbraw/zinc/47/38/71/347473871.db2.gz CLGVHKIVUXERDI-BSYHEUMXSA-N -1 0 289.331 2.174 50 0 CEAARM CC[C@@H](OC1CCCCC1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000128569120 187378221 /nfs/dbraw/zinc/37/82/21/187378221.db2.gz RHZFXNKLORYHAK-GXTWGEPZSA-N -1 0 297.395 2.438 50 0 CEAARM CC[C@H]1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000129984261 365913841 /nfs/dbraw/zinc/91/38/41/365913841.db2.gz CGYNCKXDTLGZDC-ZETCQYMHSA-N -1 0 260.384 2.030 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)cc1F ZINC000067323705 362905297 /nfs/dbraw/zinc/90/52/97/362905297.db2.gz XPEJNBHCCYJELD-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM COc1cc(C)ccc1OCc1nc(C(=O)[O-])co1 ZINC000067772497 362924547 /nfs/dbraw/zinc/92/45/47/362924547.db2.gz JYURJEKOGJBRDZ-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](CO)C(C)C)c12 ZINC000067886348 362930358 /nfs/dbraw/zinc/93/03/58/362930358.db2.gz OEMMWEKOERXNAD-MRVPVSSYSA-N -1 0 295.364 2.127 50 0 CEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C=C(C)C)C1 ZINC000091986107 180298844 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ZINC000072572365 363146254 /nfs/dbraw/zinc/14/62/54/363146254.db2.gz NIXCFMJNTPHFCX-WCQYABFASA-N -1 0 271.357 2.299 50 0 CEAARM CCO[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000154150834 188126303 /nfs/dbraw/zinc/12/63/03/188126303.db2.gz NCWRZQBJLPRDCU-CQSZACIVSA-N -1 0 291.347 2.087 50 0 CEAARM CCC[C@H](NC(=O)c1ccc(Cl)cc1C)c1nnn[n-]1 ZINC000133212154 366204873 /nfs/dbraw/zinc/20/48/73/366204873.db2.gz AXEJBUPGDPMXEJ-NSHDSACASA-N -1 0 293.758 2.433 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000092237561 283110618 /nfs/dbraw/zinc/11/06/18/283110618.db2.gz YCNPDIXJYBPQCN-NSHDSACASA-N -1 0 279.361 2.199 50 0 CEAARM C[C@@H]1C[C@@H](C(=O)Nc2cccc(CCC(=O)[O-])c2)CCO1 ZINC000262890623 540414047 /nfs/dbraw/zinc/41/40/47/540414047.db2.gz YXGMQBDZYABQIM-YPMHNXCESA-N -1 0 291.347 2.457 50 0 CEAARM CCOc1c(F)cccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136114265 366495366 /nfs/dbraw/zinc/49/53/66/366495366.db2.gz KLVKRQMIKZOEMD-SNVBAGLBSA-N -1 0 295.310 2.161 50 0 CEAARM CCC(CC)(CNC(=O)[C@H]1CC=CCC1)C(=O)[O-] ZINC000137631765 366545726 /nfs/dbraw/zinc/54/57/26/366545726.db2.gz RHOKBKBUEXGJBX-NSHDSACASA-N -1 0 253.342 2.350 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000140833853 366563760 /nfs/dbraw/zinc/56/37/60/366563760.db2.gz XHIGERJLTCYABW-UWVGGRQHSA-N -1 0 257.330 2.402 50 0 CEAARM CS[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000178257826 189100947 /nfs/dbraw/zinc/10/09/47/189100947.db2.gz UXLYGIHHRBVPHY-NEPJUHHUSA-N -1 0 279.361 2.024 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178277100 189102514 /nfs/dbraw/zinc/10/25/14/189102514.db2.gz OUMYZENQDSLWBM-CQSZACIVSA-N -1 0 284.315 2.371 50 0 CEAARM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000037359367 304096841 /nfs/dbraw/zinc/09/68/41/304096841.db2.gz MHBUPVNBRFBBHG-LLVKDONJSA-N -1 0 290.146 2.451 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NC1CCCC1 ZINC000013321017 304097767 /nfs/dbraw/zinc/09/77/67/304097767.db2.gz NCGKRTLAYJOPBA-XYJRBWASSA-N -1 0 265.353 2.182 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 ZINC000000301797 304099658 /nfs/dbraw/zinc/09/96/58/304099658.db2.gz MPPQLTASDYNLKZ-NWDGAFQWSA-N -1 0 251.326 2.102 50 0 CEAARM O=S(=O)([N-]c1cccc(CO)c1)c1cccs1 ZINC000000154948 361137100 /nfs/dbraw/zinc/13/71/00/361137100.db2.gz SKGFSPRJOOFWHT-UHFFFAOYSA-N -1 0 269.347 2.041 50 0 CEAARM CCOc1ccc2[nH]c(SCC(=O)[O-])nc2c1 ZINC000000157507 361137512 /nfs/dbraw/zinc/13/75/12/361137512.db2.gz PDUCFBXPHICEPX-UHFFFAOYSA-N -1 0 252.295 2.138 50 0 CEAARM O=C([O-])C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000000158638 361137646 /nfs/dbraw/zinc/13/76/46/361137646.db2.gz URTPNQRAHXRPMP-UHFFFAOYSA-N -1 0 263.293 2.120 50 0 CEAARM O=C([O-])c1cccn(Cc2cccc(Cl)c2)c1=O ZINC000000169395 361138972 /nfs/dbraw/zinc/13/89/72/361138972.db2.gz BYNRGIVNDGYPAO-UHFFFAOYSA-N -1 0 263.680 2.248 50 0 CEAARM COc1ccc(-c2nnc(SCCC(=O)[O-])n2C)cc1 ZINC000000310744 361160274 /nfs/dbraw/zinc/16/02/74/361160274.db2.gz HJCBJCBPJZMNPT-UHFFFAOYSA-N -1 0 293.348 2.058 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056770 361122383 /nfs/dbraw/zinc/12/23/83/361122383.db2.gz WPTUQMUCTTVOFW-MEBBXXQBSA-N -1 0 288.347 2.326 50 0 in-vitro CEAARM Cc1ccc(-c2nnc(S[C@@H](C)C(=O)[O-])n2C)cc1 ZINC000000420858 361172307 /nfs/dbraw/zinc/17/23/07/361172307.db2.gz WLVUOFNZPAMPAX-VIFPVBQESA-N -1 0 277.349 2.356 50 0 CEAARM O=C([O-])c1cccc(NC(=O)Cc2ccccc2)c1O ZINC000001429489 361205199 /nfs/dbraw/zinc/20/51/99/361205199.db2.gz OUUSWHPPQUIGMM-UHFFFAOYSA-N -1 0 271.272 2.272 50 0 CEAARM O=C([O-])[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000000614589 361189219 /nfs/dbraw/zinc/18/92/19/361189219.db2.gz PPLKIMIGZSEKTE-SECBINFHSA-N -1 0 270.082 2.027 50 0 CEAARM Cc1n[n-]c(SCc2cccc(Cl)c2)nc1=O ZINC000000984114 361195661 /nfs/dbraw/zinc/19/56/61/361195661.db2.gz IJUVLZWDHPTAMT-UHFFFAOYSA-N -1 0 267.741 2.419 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000001132895 361198234 /nfs/dbraw/zinc/19/82/34/361198234.db2.gz 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/nfs/dbraw/zinc/22/93/13/361229313.db2.gz WTGXEUPAOWVTTM-GWCFXTLKSA-N -1 0 280.320 2.453 50 0 CEAARM Cc1ccc(-c2ccnc3c(C(=O)[O-])cnn32)cc1 ZINC000002537731 361239514 /nfs/dbraw/zinc/23/95/14/361239514.db2.gz ILQXKRUFIXUDQT-UHFFFAOYSA-N -1 0 253.261 2.403 50 0 CEAARM COc1ccc(OC)c([C@@H]2N[C@@H](C(=O)[O-])C(C)(C)S2)c1 ZINC000004300933 361310426 /nfs/dbraw/zinc/31/04/26/361310426.db2.gz BENWLDALGAZKCJ-NWDGAFQWSA-N -1 0 297.376 2.271 50 0 CEAARM O=C([O-])c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1 ZINC000004343179 361313634 /nfs/dbraw/zinc/31/36/34/361313634.db2.gz OFSQCVVIRPDWRO-UHFFFAOYSA-N -1 0 298.277 2.226 50 0 CEAARM O=c1nc(N2CCCCCC2)nc(N2CCCCCC2)[n-]1 ZINC000008577665 361342924 /nfs/dbraw/zinc/34/29/24/361342924.db2.gz KAUYZHSUUXMPLC-UHFFFAOYSA-N -1 0 291.399 2.338 50 0 CEAARM Cc1nc2cc(C(=O)[O-])ccc2n1C[C@@H]1CCCO1 ZINC000009238056 361345879 /nfs/dbraw/zinc/34/58/79/361345879.db2.gz NSXCTDXWCVZHBS-NSHDSACASA-N -1 0 260.293 2.222 50 0 CEAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2C(C)C)cc1 ZINC000011730569 361361931 /nfs/dbraw/zinc/36/19/31/361361931.db2.gz KKSVVPJGHBPDGS-UHFFFAOYSA-N -1 0 275.308 2.488 50 0 CEAARM O=C([O-])c1nnn(-c2ccc(F)cc2)c1-c1ccco1 ZINC000011730609 361362333 /nfs/dbraw/zinc/36/23/33/361362333.db2.gz PRPSFRMTLGPLCY-UHFFFAOYSA-N -1 0 273.223 2.365 50 0 CEAARM O=C([O-])C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000011891554 361368342 /nfs/dbraw/zinc/36/83/42/361368342.db2.gz TUHDGQPNBDNMPV-UHFFFAOYSA-N -1 0 281.739 2.206 50 0 CEAARM CC1(C(=O)[O-])COC2(OC1)C1CC3CC(C1)CC2C3 ZINC000012384498 361381194 /nfs/dbraw/zinc/38/11/94/361381194.db2.gz HJQICCBNSZLORY-UHFFFAOYSA-N -1 0 266.337 2.277 50 0 CEAARM COc1cccc(-c2ccnc3c2c(C)nn3CC(=O)[O-])c1 ZINC000012395286 361382302 /nfs/dbraw/zinc/38/23/02/361382302.db2.gz OYHZKVXKHLERFI-UHFFFAOYSA-N -1 0 297.314 2.500 50 0 CEAARM CC(C)CCn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC000012899417 361405950 /nfs/dbraw/zinc/40/59/50/361405950.db2.gz WKMHKLVKQNBBBW-UHFFFAOYSA-N -1 0 260.293 2.141 50 0 CEAARM CCCCNC(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000013318207 361425024 /nfs/dbraw/zinc/42/50/24/361425024.db2.gz HZXCJAGDIKDJEG-UHFFFAOYSA-N -1 0 285.727 2.333 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000013576052 361432208 /nfs/dbraw/zinc/43/22/08/361432208.db2.gz XBQGFBDNJGXQDR-QWRGUYRKSA-N -1 0 256.346 2.071 50 0 CEAARM C[C@@H](Oc1ccc(Br)cc1F)C(=O)[O-] ZINC000013609327 361434877 /nfs/dbraw/zinc/43/48/77/361434877.db2.gz NMGJVXVNSXGUAR-RXMQYKEDSA-N -1 0 263.062 2.440 50 0 CEAARM Cc1ccc(C(=O)[O-])c(OCC(=O)NC2CCCC2)c1 ZINC000013084467 361418617 /nfs/dbraw/zinc/41/86/17/361418617.db2.gz QLACGVKZDGICBO-UHFFFAOYSA-N -1 0 277.320 2.131 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000227086762 304107123 /nfs/dbraw/zinc/10/71/23/304107123.db2.gz OMHBYVXOJCABIN-DMDPSCGWSA-N -1 0 289.331 2.127 50 0 CEAARM O=C([O-])[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O ZINC000019415739 361533173 /nfs/dbraw/zinc/53/31/73/361533173.db2.gz WGFXQNVVZIGPMB-SECBINFHSA-N -1 0 289.209 2.023 50 0 CEAARM Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000087428020 363855316 /nfs/dbraw/zinc/85/53/16/363855316.db2.gz BLITWZWPWYZSNG-JTQLQIEISA-N -1 0 282.365 2.169 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CC=CCC2)cc1 ZINC000088749427 363919193 /nfs/dbraw/zinc/91/91/93/363919193.db2.gz XGZGIMHYYCMALM-CYBMUJFWSA-N -1 0 274.320 2.293 50 0 CEAARM Cc1ncc(Cl)c(C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000089730048 363996098 /nfs/dbraw/zinc/99/60/98/363996098.db2.gz OAJXYVQZLMDHPV-UHFFFAOYSA-N -1 0 291.694 2.389 50 0 CEAARM CCc1nc2n(n1)CCC[C@@H]2[N-]c1nc(C2CC2)no1 ZINC000089295952 363954947 /nfs/dbraw/zinc/95/49/47/363954947.db2.gz CFDRPYZPAYICLZ-VIFPVBQESA-N -1 0 274.328 2.048 50 0 CEAARM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)[O-] ZINC000089941292 364019760 /nfs/dbraw/zinc/01/97/60/364019760.db2.gz GXZNLDBSPJFOJG-BXKDBHETSA-N -1 0 269.728 2.186 50 0 CEAARM CCC[C@@H](NC(=O)[C@H](C)Cc1ccccc1)c1nnn[n-]1 ZINC000089949529 364022394 /nfs/dbraw/zinc/02/23/94/364022394.db2.gz UVFSNJJMMPTPTE-DGCLKSJQSA-N -1 0 287.367 2.036 50 0 CEAARM CSC[C@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237364614 370715045 /nfs/dbraw/zinc/71/50/45/370715045.db2.gz OSLQFYSAQAKVOF-QWRGUYRKSA-N -1 0 273.398 2.089 50 0 CEAARM CSCc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F ZINC000237380470 370716206 /nfs/dbraw/zinc/71/62/06/370716206.db2.gz OZIJXJHGTHZINB-GFCCVEGCSA-N -1 0 297.351 2.378 50 0 CEAARM C[C@@H](Cc1cccs1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237377733 370716507 /nfs/dbraw/zinc/71/65/07/370716507.db2.gz KUTCAJHVIHCQBX-IINYFYTJSA-N -1 0 281.377 2.250 50 0 CEAARM C[C@H](CN(C(=O)CC[C@H]1CC[C@@H](C)O1)C1CC1)C(=O)[O-] ZINC000237385349 370717179 /nfs/dbraw/zinc/71/71/79/370717179.db2.gz SATBJAIXVPNRMN-NQBHXWOUSA-N -1 0 283.368 2.046 50 0 CEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C1CC1 ZINC000238078992 370770129 /nfs/dbraw/zinc/77/01/29/370770129.db2.gz WNMXATUDHCZDTA-CMPLNLGQSA-N -1 0 295.285 2.144 50 0 CEAARM Cc1cscc1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000094246657 364262739 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C=CCCC(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000195541992 370138066 /nfs/dbraw/zinc/13/80/66/370138066.db2.gz HKNVJZOHRORGRX-UHFFFAOYSA-N -1 0 285.303 2.475 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000195541390 370138176 /nfs/dbraw/zinc/13/81/76/370138176.db2.gz SFFGPDZVHGQMLO-MWLCHTKSSA-N -1 0 283.274 2.049 50 0 CEAARM CC(C)C[C@@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)[O-] ZINC000195542634 370139544 /nfs/dbraw/zinc/13/95/44/370139544.db2.gz GKHDRGJQXXQUBW-GMSGAONNSA-N -1 0 282.167 2.186 50 0 CEAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1ccc(O)c(C)c1 ZINC000218607219 370211633 /nfs/dbraw/zinc/21/16/33/370211633.db2.gz XIRNCOFRFIWUCH-GFCCVEGCSA-N -1 0 279.336 2.464 50 0 CEAARM COc1ccccc1/C(C)=C\C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000221918555 370247869 /nfs/dbraw/zinc/24/78/69/370247869.db2.gz FDCZKZNZFPHZBB-MMRAYRKESA-N -1 0 291.347 2.278 50 0 CEAARM CC(C)C[C@@H](CNC(=O)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000225462095 370296851 /nfs/dbraw/zinc/29/68/51/370296851.db2.gz 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ZINC000262166100 371833134 /nfs/dbraw/zinc/83/31/34/371833134.db2.gz DIDUMXIWZCVAGA-LBPRGKRZSA-N -1 0 296.392 2.322 50 0 CEAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2cccs2)o1 ZINC000262679807 371897528 /nfs/dbraw/zinc/89/75/28/371897528.db2.gz VNGIONYLVSKCCQ-VIFPVBQESA-N -1 0 278.333 2.452 50 0 CEAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2csc(C)c2C)C1 ZINC000262866563 371915374 /nfs/dbraw/zinc/91/53/74/371915374.db2.gz ASVAJKQUSKZDGE-GHMZBOCLSA-N -1 0 297.376 2.069 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC23CC3)c2ccccc21 ZINC000263184307 371930930 /nfs/dbraw/zinc/93/09/30/371930930.db2.gz KNNHTKAHCUXOSK-QWRGUYRKSA-N -1 0 257.289 2.002 50 0 CEAARM C[C@@H]1CC[C@H](CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)O1 ZINC000237386998 189874528 /nfs/dbraw/zinc/87/45/28/189874528.db2.gz YEVJCLGQGMAISR-KYOSRNDESA-N -1 0 291.347 2.276 50 0 CEAARM COc1ccc([C@H](C)CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268947114 372298221 /nfs/dbraw/zinc/29/82/21/372298221.db2.gz NNMXLIAHBPJDRU-SWHYSGLUSA-N -1 0 291.347 2.026 50 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C[C@@]12c3ccccc3CC[C@]1(C)OC(=O)N2CC(=O)[O-] ZINC000004698088 394457062 /nfs/dbraw/zinc/45/70/62/394457062.db2.gz DOYDZBOJDKKKHS-LSDHHAIUSA-N -1 0 275.304 2.144 50 0 CEAARM C[C@H]1CCCc2sc3[n-]c(=S)n(N)c(=O)c3c21 ZINC000019797067 394469919 /nfs/dbraw/zinc/46/99/19/394469919.db2.gz JMERMKALAJNWNV-YFKPBYRVSA-N -1 0 267.379 2.274 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])ccc1O ZINC000232379047 394481591 /nfs/dbraw/zinc/48/15/91/394481591.db2.gz CBIFWSMYPLYJMI-GFCCVEGCSA-N -1 0 277.320 2.170 50 0 CEAARM COC(=O)C12CC=CCC1(CC(=O)[O-])CC=CC2 ZINC000034108588 394492283 /nfs/dbraw/zinc/49/22/83/394492283.db2.gz WXYNDOIWQACJSI-UHFFFAOYSA-N -1 0 250.294 2.307 50 0 CEAARM Cc1ccc2cccc(C(=O)N3CCC[C@H]3C(=O)[O-])c2n1 ZINC000237895275 394493901 /nfs/dbraw/zinc/49/39/01/394493901.db2.gz UPWYKEVKVBEYEH-ZDUSSCGKSA-N -1 0 284.315 2.232 50 0 CEAARM COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000043564767 394505051 /nfs/dbraw/zinc/50/50/51/394505051.db2.gz WVBKWVASSARSJT-SECBINFHSA-N -1 0 297.738 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282.365 2.093 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H](O)C2CCCCC2)C1 ZINC000263439085 154087900 /nfs/dbraw/zinc/08/79/00/154087900.db2.gz PHJBKTDITFPGFM-IUODEOHRSA-N -1 0 297.395 2.031 50 0 CEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccsc1 ZINC000263474288 154097635 /nfs/dbraw/zinc/09/76/35/154097635.db2.gz FCOXHBVGZFIJMB-BDAKNGLRSA-N -1 0 253.323 2.073 50 0 CEAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(F)ccc1F ZINC000263521870 154111080 /nfs/dbraw/zinc/11/10/80/154111080.db2.gz RHMSKYPEXAXTCQ-DTWKUNHWSA-N -1 0 283.274 2.290 50 0 CEAARM CC(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263577975 154130428 /nfs/dbraw/zinc/13/04/28/154130428.db2.gz SCVNICREZBEPLJ-ZIAGYGMSSA-N -1 0 291.347 2.062 50 0 CEAARM CC[C@@H]1CCCCN1C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004892018 287005085 /nfs/dbraw/zinc/00/50/85/287005085.db2.gz NXTVQPHDKPQPPA-AGIUHOORSA-N -1 0 265.353 2.445 50 0 CEAARM Cn1c(SCC(=O)[O-])nnc1-c1cc2ccccc2o1 ZINC000002550624 169807427 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ZINC000008991940 170360880 /nfs/dbraw/zinc/36/08/80/170360880.db2.gz LXZFFMMSVXBBNB-LBPRGKRZSA-N -1 0 272.304 2.105 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000009195032 170366088 /nfs/dbraw/zinc/36/60/88/170366088.db2.gz RLNYEUKUKWJOGC-YFKTTZPYSA-N -1 0 255.358 2.428 50 0 CEAARM CC(C)CC(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000009259104 170369423 /nfs/dbraw/zinc/36/94/23/170369423.db2.gz OOUNZSSXIKTRTN-BQYQJAHWSA-N -1 0 290.319 2.251 50 0 CEAARM CC(C)N1C(=O)S[C@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000009422711 170376577 /nfs/dbraw/zinc/37/65/77/170376577.db2.gz ZUAPGHSEPJDSES-JTQLQIEISA-N -1 0 294.332 2.227 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000012887812 170517223 /nfs/dbraw/zinc/51/72/23/170517223.db2.gz QGJAFAIXCRURHK-CABZTGNLSA-N -1 0 280.324 2.316 50 0 CEAARM CCOc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167022 170538034 /nfs/dbraw/zinc/53/80/34/170538034.db2.gz ILUWGGAGLHAXCH-UHFFFAOYSA-N -1 0 277.320 2.022 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000013170971 170539158 /nfs/dbraw/zinc/53/91/58/170539158.db2.gz KZKYAAHXELATLZ-ABZNLYFFSA-N -1 0 277.295 2.162 50 0 CEAARM Cc1ccccc1CNC(=O)COc1ccccc1C(=O)[O-] ZINC000013411597 170548996 /nfs/dbraw/zinc/54/89/96/170548996.db2.gz CAGNEJQNVXCFOL-UHFFFAOYSA-N -1 0 299.326 2.388 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 ZINC000019279019 170770491 /nfs/dbraw/zinc/77/04/91/170770491.db2.gz NNERJJSZVRCASG-LLVKDONJSA-N -1 0 281.377 2.394 50 0 CEAARM COc1cc(C(=O)[O-])ccc1OCc1cscn1 ZINC000020253513 171105759 /nfs/dbraw/zinc/10/57/59/171105759.db2.gz RWJJZLQLLHHPML-UHFFFAOYSA-N -1 0 265.290 2.429 50 0 CEAARM Cn1ccnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000021236699 171300010 /nfs/dbraw/zinc/30/00/10/171300010.db2.gz JLGWILJBGAGMCM-UHFFFAOYSA-N -1 0 278.362 2.010 50 0 CEAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(F)c(F)c21 ZINC000021300118 171300740 /nfs/dbraw/zinc/30/07/40/171300740.db2.gz FKKUVCHFRDLBHN-UHFFFAOYSA-N -1 0 271.194 2.137 50 0 CEAARM Cn1ccc(NC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000022475694 171388731 /nfs/dbraw/zinc/38/87/31/171388731.db2.gz ZEHIWRRLDZOTPX-UHFFFAOYSA-N -1 0 251.673 2.031 50 0 CEAARM CC[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000004169130 287273660 /nfs/dbraw/zinc/27/36/60/287273660.db2.gz CTQFVKBPWOPYBP-VDTYLAMSSA-N -1 0 263.219 2.279 50 0 CEAARM CCCc1c(C(=O)[O-])nnn1-c1cc(C)ccc1F ZINC000037312364 173114996 /nfs/dbraw/zinc/11/49/96/173114996.db2.gz NRGZKDBUKHQYLJ-UHFFFAOYSA-N -1 0 263.272 2.366 50 0 CEAARM CC(C)[C@@H](NC(=O)/C=C/c1cccc(F)c1)C(=O)[O-] ZINC000037407734 173183509 /nfs/dbraw/zinc/18/35/09/173183509.db2.gz ZWJMNBBBIVPBFZ-KTRBRXNASA-N -1 0 265.284 2.064 50 0 CEAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC000038025751 174010590 /nfs/dbraw/zinc/01/05/90/174010590.db2.gz CVUAPLMQZZFCLZ-NEPJUHHUSA-N -1 0 251.326 2.199 50 0 CEAARM Cc1ccccc1CC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038025983 174011272 /nfs/dbraw/zinc/01/12/72/174011272.db2.gz FILMYARORGJZOW-CQSZACIVSA-N -1 0 275.348 2.393 50 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/nfs/dbraw/zinc/08/34/83/261083483.db2.gz UKPPJYNKBJEPRD-UHFFFAOYSA-N -1 0 252.273 2.306 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC=CCC1 ZINC000019519462 262187554 /nfs/dbraw/zinc/18/75/54/262187554.db2.gz BCFFRPCZMWPFPV-WFASDCNBSA-N -1 0 285.343 2.381 50 0 CEAARM CC(C)OC(=O)c1cc2c(nc(C(F)(F)F)[n-]c2=O)o1 ZINC000003249296 275968560 /nfs/dbraw/zinc/96/85/60/275968560.db2.gz PEIJCJHMDBXOGH-UHFFFAOYSA-N -1 0 290.197 2.100 50 0 CEAARM CC(=O)Nc1cc(Br)ccc1C(=O)[O-] ZINC000034254446 278184529 /nfs/dbraw/zinc/18/45/29/278184529.db2.gz HODOWTASDNNNCT-UHFFFAOYSA-N -1 0 258.071 2.106 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)[O-])C1 ZINC000095743294 278393636 /nfs/dbraw/zinc/39/36/36/278393636.db2.gz JKPWYFGEQHQKIK-TVQRCGJNSA-N -1 0 255.314 2.108 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@H](c2n[n-]c(=S)o2)C1 ZINC000225484852 278394534 /nfs/dbraw/zinc/39/45/34/278394534.db2.gz NTCAZAMJBGQMNP-QMMMGPOBSA-N -1 0 285.369 2.473 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)[O-])CC1 ZINC000016697128 278396025 /nfs/dbraw/zinc/39/60/25/278396025.db2.gz FUDNGUAYMRYCCT-ZDUSSCGKSA-N -1 0 257.330 2.498 50 0 CEAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])Cc2ccc(F)cc2C1 ZINC000091691640 278444801 /nfs/dbraw/zinc/44/48/01/278444801.db2.gz RHJCQFMLHDNTBL-OAHLLOKOSA-N -1 0 295.310 2.272 50 0 CEAARM COc1ccc(-c2cc(C(=O)[O-])nc3ccnn32)cc1 ZINC000170614005 295046858 /nfs/dbraw/zinc/04/68/58/295046858.db2.gz NOBVDDQCRABHFM-UHFFFAOYSA-N -1 0 269.260 2.103 50 0 CEAARM C[C@@]12CCC(=O)N1[C@H](C(=O)[O-])Cc1c3ccccc3[nH]c12 ZINC000002631689 297934391 /nfs/dbraw/zinc/93/43/91/297934391.db2.gz NZDWCAYIVCYIPK-LRDDRELGSA-N -1 0 284.315 2.015 50 0 CEAARM C[C@H](CC(=O)Nc1nncc(=O)[n-]1)C1CCCCC1 ZINC000095457340 298310058 /nfs/dbraw/zinc/31/00/58/298310058.db2.gz ZTSYWLQDVPNDAT-SECBINFHSA-N -1 0 264.329 2.122 50 0 CEAARM Cc1cc(F)c(C(=O)N(CCC(=O)[O-])C2CC2)cc1F ZINC000097035460 301294965 /nfs/dbraw/zinc/29/49/65/301294965.db2.gz MBBYZGNXQXWDCN-UHFFFAOYSA-N -1 0 283.274 2.353 50 0 CEAARM Cc1cccc2c1N(C(=O)c1nn(C)cc1C(=O)[O-])CCC2 ZINC000020614490 302058474 /nfs/dbraw/zinc/05/84/74/302058474.db2.gz RRECRVFHNSMWQN-UHFFFAOYSA-N -1 0 299.330 2.020 50 0 CEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCC(=O)[O-] ZINC000237682990 302225177 /nfs/dbraw/zinc/22/51/77/302225177.db2.gz BRQCUPXJUCDGIT-CHWSQXEVSA-N -1 0 261.321 2.080 50 0 CEAARM Cc1nc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000224681428 302570959 /nfs/dbraw/zinc/57/09/59/302570959.db2.gz TYTWJBYJIDMEDF-SRVKXCTJSA-N -1 0 292.335 2.149 50 0 CEAARM Cn1nc(NC(=O)CC(C)(C)CC(=O)[O-])c2ccccc21 ZINC000000118987 303043943 /nfs/dbraw/zinc/04/39/43/303043943.db2.gz ABWLQCGRTCGJOF-UHFFFAOYSA-N -1 0 289.335 2.403 50 0 CEAARM N#[N+]c1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC000004528703 303218958 /nfs/dbraw/zinc/21/89/58/303218958.db2.gz QHIBNGIZPPHJAT-UHFFFAOYSA-O -1 0 251.243 2.277 50 0 CEAARM Nc1c(Br)cc(Cl)cc1C(=O)[O-] ZINC000002523073 303491159 /nfs/dbraw/zinc/49/11/59/303491159.db2.gz PWXLBVZWVKCFHR-UHFFFAOYSA-N -1 0 250.479 2.383 50 0 CEAARM COCCn1c2ccc(C(=O)[O-])cc2nc1-c1cccnc1 ZINC000534586790 328315774 /nfs/dbraw/zinc/31/57/74/328315774.db2.gz RLRULBVPAJKUAR-UHFFFAOYSA-N -1 0 297.314 2.443 50 0 CEAARM CO[C@@H](C)c1cccc(-c2cnn(C)c2C(=O)[O-])c1 ZINC000534635571 328333583 /nfs/dbraw/zinc/33/35/83/328333583.db2.gz MTYFIWBIYIZZQF-VIFPVBQESA-N -1 0 260.293 2.493 50 0 CEAARM COc1ccc(-c2c(C)nn(C)c2C(=O)[O-])c(C)c1 ZINC000534640055 328335720 /nfs/dbraw/zinc/33/57/20/328335720.db2.gz UIPHMQPTCFMPIZ-UHFFFAOYSA-N -1 0 260.293 2.411 50 0 CEAARM CCCc1n[n-]c(=NCC2(Cn3cccn3)CC2)s1 ZINC000534656081 328340000 /nfs/dbraw/zinc/34/00/00/328340000.db2.gz GEJKVGZVBGWXOH-UHFFFAOYSA-N -1 0 277.397 2.001 50 0 CEAARM Cc1cnn([C@H](C)CNC(=O)c2ccc(F)c(O)c2)c1 ZINC000534675220 328347240 /nfs/dbraw/zinc/34/72/40/328347240.db2.gz VGNYBTIBPVHINL-SNVBAGLBSA-N -1 0 277.299 2.027 50 0 CEAARM COc1ccc(-c2c(C)nn(C)c2C(=O)[O-])cc1OC ZINC000534673114 328348755 /nfs/dbraw/zinc/34/87/55/328348755.db2.gz KGKKGPSSSMBGER-UHFFFAOYSA-N -1 0 276.292 2.111 50 0 CEAARM Cc1oc(CN(C)C(=O)CC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000268940681 330067048 /nfs/dbraw/zinc/06/70/48/330067048.db2.gz SFGKUNJGPYDCKU-LLVKDONJSA-N -1 0 295.335 2.204 50 0 CEAARM C[C@H]1C[C@H](C(=O)NC(C)(C)c2nnn[n-]2)CC(C)(C)C1 ZINC000357356157 534107177 /nfs/dbraw/zinc/10/71/77/534107177.db2.gz OEKORNIHSGDDBC-UWVGGRQHSA-N -1 0 279.388 2.013 50 0 CEAARM O=C([O-])/C=C/c1cnc(/C=C/c2csnn2)s1 ZINC000096450090 534479984 /nfs/dbraw/zinc/47/99/84/534479984.db2.gz BLTJUCRHTXPPSH-ZPUQHVIOSA-N -1 0 265.319 2.263 50 0 CEAARM CCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000096480105 528296674 /nfs/dbraw/zinc/29/66/74/528296674.db2.gz UWPZLHSRTPCHOU-UHFFFAOYSA-N -1 0 271.263 2.178 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000005715409 529255139 /nfs/dbraw/zinc/25/51/39/529255139.db2.gz YTOKLPQWCPIDLE-KWQFWETISA-N -1 0 253.273 2.055 50 0 CEAARM COC1(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)CCC1 ZINC000263537108 536543714 /nfs/dbraw/zinc/54/37/14/536543714.db2.gz PBUNNJAUYHIPKI-LLVKDONJSA-N -1 0 291.347 2.457 50 0 CEAARM CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000248961814 535438489 /nfs/dbraw/zinc/43/84/89/535438489.db2.gz MUROMEMRYQNKIG-QWHCGFSZSA-N -1 0 267.300 2.062 50 0 CEAARM COc1c(F)ccc(F)c1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262834990 536852004 /nfs/dbraw/zinc/85/20/04/536852004.db2.gz BOQIBQZRKBYALD-MRVPVSSYSA-N -1 0 299.273 2.053 50 0 CEAARM CC(C)CC1(CNC(=O)NC(=O)CCC(=O)[O-])CCCC1 ZINC000094880124 538887070 /nfs/dbraw/zinc/88/70/70/538887070.db2.gz NOBDKNCNCAMEEB-UHFFFAOYSA-N -1 0 298.383 2.284 50 0 CEAARM C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000668283490 623036086 /nfs/dbraw/zinc/03/60/86/623036086.db2.gz RENMXVYAYMWXLW-CBAPKCEASA-N -1 0 269.322 2.200 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)CC1CCCCC1)C1CC1 ZINC000262639007 631183774 /nfs/dbraw/zinc/18/37/74/631183774.db2.gz PSEYSFIVBLHXLO-JTQLQIEISA-N -1 0 253.342 2.421 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)CC1CCCCC1)C1CC1 ZINC000262639011 631183816 /nfs/dbraw/zinc/18/38/16/631183816.db2.gz PSEYSFIVBLHXLO-SNVBAGLBSA-N -1 0 253.342 2.421 50 0 CEAARM CN(Cc1cc2n(n1)CCC2)Cc1ccc(C(=O)[O-])cc1 ZINC000864096021 646899329 /nfs/dbraw/zinc/89/93/29/646899329.db2.gz UTPSPIJJALPIHN-UHFFFAOYSA-N -1 0 285.347 2.160 50 0 CEAARM O=C([O-])c1nn(CC2CCCCC2)c2c1C[C@@H](O)CC2 ZINC000828635859 810828324 /nfs/dbraw/zinc/82/83/24/810828324.db2.gz LEQBTUAPFYSZKJ-NSHDSACASA-N -1 0 278.352 2.011 50 0 CEAARM O=C([O-])CCCNC(=O)C[C@@H]1CCc2ccccc21 ZINC000095503137 185000111 /nfs/dbraw/zinc/00/01/11/185000111.db2.gz WXPGSOCFPVWBHT-LBPRGKRZSA-N -1 0 261.321 2.088 50 0 CEAARM Cc1cc(F)ccc1CC(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000219814094 230397040 /nfs/dbraw/zinc/39/70/40/230397040.db2.gz BMIPODBMJXOQHX-CYBMUJFWSA-N -1 0 281.327 2.292 50 0 CEAARM CC(C)N(C[C@@H]1C[C@H]1C)C(=O)c1cc(C(=O)[O-])co1 ZINC000095939863 185035108 /nfs/dbraw/zinc/03/51/08/185035108.db2.gz HBFMHLWORPCCSH-ZJUUUORDSA-N -1 0 265.309 2.484 50 0 CEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000095970644 185048398 /nfs/dbraw/zinc/04/83/98/185048398.db2.gz XTEPQQVHOYSZNX-RWMBFGLXSA-N -1 0 285.384 2.151 50 0 CEAARM O=c1nc(CSC2CCOCC2)[n-]c2ccsc21 ZINC000095975015 185049819 /nfs/dbraw/zinc/04/98/19/185049819.db2.gz YXXJJRBFOARGRT-UHFFFAOYSA-N -1 0 282.390 2.397 50 0 CEAARM CCOCCCC(=O)NCCCCCCCC(=O)[O-] ZINC000095991947 185058366 /nfs/dbraw/zinc/05/83/66/185058366.db2.gz HTNBKEKQTVLANP-UHFFFAOYSA-N -1 0 273.373 2.345 50 0 CEAARM CCO[N-]C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C ZINC000032848261 361760180 /nfs/dbraw/zinc/76/01/80/361760180.db2.gz KQLPUUZBDCHUJP-LBPRGKRZSA-N -1 0 298.770 2.162 50 0 CEAARM O=C([O-])C1(CC(=O)NCc2cccs2)CCCC1 ZINC000035126556 361818547 /nfs/dbraw/zinc/81/85/47/361818547.db2.gz ZQOBZVYEBKWNCR-UHFFFAOYSA-N -1 0 267.350 2.399 50 0 CEAARM C[C@@H](CN(C)C(=O)CC1(C)CCCCC1)c1nnn[n-]1 ZINC000124708048 365656932 /nfs/dbraw/zinc/65/69/32/365656932.db2.gz MUUWUUCXNVEAAC-NSHDSACASA-N -1 0 279.388 2.122 50 0 CEAARM CCS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000036893837 361867524 /nfs/dbraw/zinc/86/75/24/361867524.db2.gz LVACAZDHNAULKK-UHFFFAOYSA-N -1 0 283.132 2.485 50 0 CEAARM Cc1ccc(C)c(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000097009477 185151313 /nfs/dbraw/zinc/15/13/13/185151313.db2.gz YNOYUSFVCMWOPG-OCCSQVGLSA-N -1 0 275.348 2.215 50 0 CEAARM Cc1ccc(C[C@H](CNC(=O)c2cccnc2)C(=O)[O-])cc1 ZINC000097018836 185152746 /nfs/dbraw/zinc/15/27/46/185152746.db2.gz VPGPDVXESPMPII-OAHLLOKOSA-N -1 0 298.342 2.063 50 0 CEAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000097032934 185156087 /nfs/dbraw/zinc/15/60/87/185156087.db2.gz WJQAIUJLTHTYSB-LBPRGKRZSA-N -1 0 265.353 2.302 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000037827985 361952757 /nfs/dbraw/zinc/95/27/57/361952757.db2.gz DQGQDJDKKJKOMW-QWHCGFSZSA-N -1 0 277.295 2.037 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000097035508 185166476 /nfs/dbraw/zinc/16/64/76/185166476.db2.gz RSYLMEFOLBLVGM-MNOVXSKESA-N -1 0 295.285 2.144 50 0 CEAARM CC(=O)N/C(=C\c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000118209563 539170614 /nfs/dbraw/zinc/17/06/14/539170614.db2.gz SUKYBDNRHAEVSV-POHAHGRESA-N -1 0 273.210 2.267 50 0 CEAARM C[C@@H](OCC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000237407619 539310078 /nfs/dbraw/zinc/31/00/78/539310078.db2.gz DDARAOMOELELDD-SECBINFHSA-N -1 0 263.293 2.138 50 0 CEAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]31)[C@H]2Sc1ccccc1 ZINC000035828549 343422316 /nfs/dbraw/zinc/42/23/16/343422316.db2.gz QGDUFGHDYAYOLT-NGFXDRFKSA-N -1 0 290.340 2.039 50 0 CEAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)C(=O)[O-] ZINC000237469120 539310179 /nfs/dbraw/zinc/31/01/79/539310179.db2.gz XKCMHVBPTAHKAI-FXAINCCUSA-N -1 0 281.739 2.280 50 0 CEAARM Cc1nc(C)c(C(=O)Nc2cc(C(=O)[O-])ccc2F)o1 ZINC000128146727 187354166 /nfs/dbraw/zinc/35/41/66/187354166.db2.gz LEOHMPKGKHLWOK-UHFFFAOYSA-N -1 0 278.239 2.381 50 0 CEAARM CC[NH+](CC)CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000096026917 344239065 /nfs/dbraw/zinc/23/90/65/344239065.db2.gz LMVMMLHMHVIISB-KBPBESRZSA-N -1 0 293.363 2.288 50 0 CEAARM O=C(N[C@H]1CCCCC[C@H]1CO)c1cc(F)c([O-])c(F)c1 ZINC000097377218 344245454 /nfs/dbraw/zinc/24/54/54/344245454.db2.gz DODXLJAEKWHRKJ-ZANVPECISA-N -1 0 299.317 2.341 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)[O-])CC1 ZINC000114543591 344280360 /nfs/dbraw/zinc/28/03/60/344280360.db2.gz IKDSOZSAZOWWKW-UHFFFAOYSA-N -1 0 296.323 2.487 50 0 CEAARM COc1ccc(Cl)cc1-c1cnn(CC(=O)[O-])c1 ZINC000049858609 362380680 /nfs/dbraw/zinc/38/06/80/362380680.db2.gz UPHYVPBCDGXNLU-UHFFFAOYSA-N -1 0 266.684 2.297 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000146122250 344410172 /nfs/dbraw/zinc/41/01/72/344410172.db2.gz PMCDJGUSDPYPOK-DOMZBBRYSA-N -1 0 287.359 2.257 50 0 CEAARM Cc1ncsc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921388 362423196 /nfs/dbraw/zinc/42/31/96/362423196.db2.gz VRPRWQCPLMWPIQ-JTQLQIEISA-N -1 0 282.365 2.311 50 0 CEAARM COc1ccc(N(C)C(=O)c2c([O-])cc(F)cc2F)cn1 ZINC000051383759 362429683 /nfs/dbraw/zinc/42/96/83/362429683.db2.gz RGFCPMBYKRZXRY-UHFFFAOYSA-N -1 0 294.257 2.351 50 0 CEAARM CCc1c(C(=O)[O-])nnn1Cc1ccccc1Cl ZINC000050214227 362410891 /nfs/dbraw/zinc/41/08/91/362410891.db2.gz SACGDPPOCTYXSF-UHFFFAOYSA-N -1 0 265.700 2.240 50 0 CEAARM Cc1c(Br)ccc2nc(C(=O)[O-])cn21 ZINC000097756683 300909384 /nfs/dbraw/zinc/90/93/84/300909384.db2.gz SPBREWWYKGHQBZ-UHFFFAOYSA-N -1 0 255.071 2.103 50 0 CEAARM Cc1nnsc1C(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC000036646822 282372860 /nfs/dbraw/zinc/37/28/60/282372860.db2.gz PVYIHJQXUUWOTQ-UHFFFAOYSA-N -1 0 287.304 2.149 50 0 CEAARM CCn1cc(NC(=O)CCc2ccccc2C(=O)[O-])cn1 ZINC000585134228 345006337 /nfs/dbraw/zinc/00/63/37/345006337.db2.gz JCKIPBPHEGHPJX-UHFFFAOYSA-N -1 0 287.319 2.173 50 0 CEAARM O=C([O-])CCCSc1nc2c3ccccc3ncn2n1 ZINC000585157873 345009116 /nfs/dbraw/zinc/00/91/16/345009116.db2.gz GSYKTMIQVCXNPG-UHFFFAOYSA-N -1 0 288.332 2.234 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000058062791 362608003 /nfs/dbraw/zinc/60/80/03/362608003.db2.gz RWOJFWWNYMJWLH-VIFPVBQESA-N -1 0 287.237 2.139 50 0 CEAARM O=S(=O)([N-]c1nccs1)c1cccc(F)c1 ZINC000060486720 362663590 /nfs/dbraw/zinc/66/35/90/362663590.db2.gz XWPQLPSSAIPOSH-UHFFFAOYSA-N -1 0 258.299 2.083 50 0 CEAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)[O-])cc1N ZINC000062833090 362723684 /nfs/dbraw/zinc/72/36/84/362723684.db2.gz LHKSERFGEFCORM-UHFFFAOYSA-N -1 0 252.270 2.314 50 0 CEAARM Cc1cc(C(=O)N(CC(=O)[O-])CC2CC2)ccc1F ZINC000063055424 362747048 /nfs/dbraw/zinc/74/70/48/362747048.db2.gz CCEUBBVQPASZFZ-UHFFFAOYSA-N -1 0 265.284 2.071 50 0 CEAARM COc1ccc(C)cc1NC(=O)N=c1[n-]nc2ccccn21 ZINC000065314558 362809184 /nfs/dbraw/zinc/80/91/84/362809184.db2.gz BJPBHROLJCEHPU-UHFFFAOYSA-N -1 0 297.318 2.112 50 0 CEAARM CCNC(=O)c1ccc(-c2ccc(C(=O)[O-])s2)nc1 ZINC000067742500 362920949 /nfs/dbraw/zinc/92/09/49/362920949.db2.gz YUUTXUPSBHZLIC-UHFFFAOYSA-N -1 0 276.317 2.258 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)c1nccc2ccccc21)C1CC1 ZINC000263280816 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50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000000439802 361174776 /nfs/dbraw/zinc/17/47/76/361174776.db2.gz NYBMUEVAQMGPNW-NWDGAFQWSA-N -1 0 263.268 2.431 50 0 CEAARM Cc1ccc(-c2nnnn2-c2ccccc2C(=O)[O-])cc1 ZINC000000482108 361179999 /nfs/dbraw/zinc/17/99/99/361179999.db2.gz PUWCCIANSODOCK-UHFFFAOYSA-N -1 0 280.287 2.336 50 0 CEAARM C[C@H]1CCCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000998890 361195349 /nfs/dbraw/zinc/19/53/49/361195349.db2.gz DNPCQPRWUACXEW-SRVKXCTJSA-N -1 0 253.342 2.278 50 0 CEAARM O=C([O-])CCCC(=O)Nc1ccccc1N1CCCC1 ZINC000000339140 361162473 /nfs/dbraw/zinc/16/24/73/361162473.db2.gz RXCHQZAODINVFM-UHFFFAOYSA-N -1 0 276.336 2.480 50 0 CEAARM CSc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000350492 361164052 /nfs/dbraw/zinc/16/40/52/361164052.db2.gz NVQHKPNOQDQQTQ-VHSXEESVSA-N -1 0 255.364 2.197 50 0 CEAARM CSc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000350490 361164079 /nfs/dbraw/zinc/16/40/79/361164079.db2.gz NVQHKPNOQDQQTQ-UWVGGRQHSA-N -1 0 255.364 2.197 50 0 CEAARM O=C([O-])C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(F)cc1 ZINC000002379814 361233281 /nfs/dbraw/zinc/23/32/81/361233281.db2.gz NPQRPZRZZQVZIJ-QMMMGPOBSA-N -1 0 279.189 2.020 50 0 CEAARM CCn1ncc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000002792315 361251566 /nfs/dbraw/zinc/25/15/66/361251566.db2.gz KYPMCYYMWNQVBL-UHFFFAOYSA-N -1 0 279.365 2.321 50 0 CEAARM O=C([O-])c1cnn2c1nc(C1CC1)cc2C(F)(F)F ZINC000002534227 361239159 /nfs/dbraw/zinc/23/91/59/361239159.db2.gz AHOQVWZLSOACNB-UHFFFAOYSA-N -1 0 271.198 2.324 50 0 CEAARM CCOC(=O)C=C([O-])c1cc(F)c(F)c(F)c1F ZINC000002566558 361240664 /nfs/dbraw/zinc/24/06/64/361240664.db2.gz KWDVJYLIAJHEOW-UHFFFAOYSA-N -1 0 264.174 2.379 50 0 in-vitro CEAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)N1 ZINC000003847271 361292157 /nfs/dbraw/zinc/29/21/57/361292157.db2.gz RUJSKBQMESFVHL-XNTDXEJSSA-N -1 0 294.310 2.446 50 0 CEAARM O=C([O-])CSc1nnc(-c2ccc(F)cc2)o1 ZINC000003886597 361292905 /nfs/dbraw/zinc/29/29/05/361292905.db2.gz HIAAWEVGYSBOCA-UHFFFAOYSA-N -1 0 254.242 2.052 50 0 CEAARM Cc1cnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000003105127 361263211 /nfs/dbraw/zinc/26/32/11/361263211.db2.gz OHKVKHXJDOPCAO-RKDXNWHRSA-N -1 0 268.338 2.281 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000003135735 361264482 /nfs/dbraw/zinc/26/44/82/361264482.db2.gz BWNQJNHIRLCZCZ-DTWKUNHWSA-N -1 0 284.109 2.108 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)NCc1cccs1)C(=O)[O-] ZINC000004301812 361310535 /nfs/dbraw/zinc/31/05/35/361310535.db2.gz LUNDMTYNTZJKBA-WPRPVWTQSA-N -1 0 270.354 2.047 50 0 CEAARM COCCC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCC1 ZINC000237158680 370695155 /nfs/dbraw/zinc/69/51/55/370695155.db2.gz MHIHKYQNGCRQQO-ZDUSSCGKSA-N -1 0 297.395 2.297 50 0 CEAARM CCN(CC)c1ccc(Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000011990304 361370384 /nfs/dbraw/zinc/37/03/84/361370384.db2.gz ZLKBIOFPSBWMDK-UHFFFAOYSA-N -1 0 273.340 2.063 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1 ZINC000012022006 361371878 /nfs/dbraw/zinc/37/18/78/361371878.db2.gz DZLJMGLCCBDIHV-LXKVQUBZSA-N -1 0 259.305 2.166 50 0 CEAARM C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000011848434 361365716 /nfs/dbraw/zinc/36/57/16/361365716.db2.gz NNQKRQFZYFUWFB-PHIMTYICSA-N -1 0 297.376 2.336 50 0 CEAARM O=C([O-])[C@@H](c1c[nH]c2cccc(Cl)c21)N1CCOCC1 ZINC000012322059 361378012 /nfs/dbraw/zinc/37/80/12/361378012.db2.gz VFDVYSOHLWTPSB-CYBMUJFWSA-N -1 0 294.738 2.279 50 0 CEAARM C[C@H](Oc1cccc(C(=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000013418907 361427540 /nfs/dbraw/zinc/42/75/40/361427540.db2.gz PDGZQMWOGDBKEW-LBPRGKRZSA-N -1 0 299.326 2.469 50 0 CEAARM O=C([O-])[C@H]1[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]2CC[C@@H]1O2 ZINC000013119539 361419561 /nfs/dbraw/zinc/41/95/61/361419561.db2.gz GWKRNAXRMRFYKC-NOOOWODRSA-N -1 0 295.722 2.157 50 0 CEAARM CC(C)(C)OC(=O)N(OCC(=O)[O-])C(=O)OC(C)(C)C ZINC000014632616 361459407 /nfs/dbraw/zinc/45/94/07/361459407.db2.gz PXAKWBDTOCTFOJ-UHFFFAOYSA-N -1 0 291.300 2.175 50 0 CEAARM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000019410777 361532585 /nfs/dbraw/zinc/53/25/85/361532585.db2.gz NISWRYVBGIZCLV-GFCCVEGCSA-N -1 0 289.356 2.482 50 0 CEAARM Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000022217628 361588774 /nfs/dbraw/zinc/58/87/74/361588774.db2.gz OWRWLLNDFSUXBV-HNNXBMFYSA-N -1 0 296.326 2.042 50 0 CEAARM CO[N-]C(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000025823393 361632754 /nfs/dbraw/zinc/63/27/54/361632754.db2.gz YNMWSMOZGRUMOL-LBPRGKRZSA-N -1 0 298.770 2.162 50 0 CEAARM Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000028225607 361669533 /nfs/dbraw/zinc/66/95/33/361669533.db2.gz YXDMHGULXOBBIZ-UHFFFAOYSA-N -1 0 288.781 2.328 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000037436124 304109551 /nfs/dbraw/zinc/10/95/51/304109551.db2.gz KLILGHRYFPJGRS-UKRRQHHQSA-N -1 0 287.359 2.430 50 0 CEAARM CCc1ccc([C@H](C)NC(=O)c2cc(=O)[n-]o2)cc1 ZINC000089284767 363953247 /nfs/dbraw/zinc/95/32/47/363953247.db2.gz STXAMUHTZVPQOG-VIFPVBQESA-N -1 0 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ZINC000101741203 364571603 /nfs/dbraw/zinc/57/16/03/364571603.db2.gz NXZASYPXSSHAEY-ZDUSSCGKSA-N -1 0 298.273 2.069 50 0 CEAARM Cc1cccc([C@H](C)NC(=O)C2(C(=O)[O-])CC2)c1C ZINC000118975539 365194934 /nfs/dbraw/zinc/19/49/34/365194934.db2.gz XRHKPXSJJWEAKS-NSHDSACASA-N -1 0 261.321 2.345 50 0 CEAARM CC[C@@H](NC(=O)CCCC(=O)[O-])c1cc(C)ccn1 ZINC000244707919 370796220 /nfs/dbraw/zinc/79/62/20/370796220.db2.gz KKARNUPUTHQSFU-LLVKDONJSA-N -1 0 264.325 2.212 50 0 CEAARM O=C([O-])c1c(=O)[nH]c2ccccc2c1NCc1ccncc1 ZINC000170624652 367388312 /nfs/dbraw/zinc/38/83/12/367388312.db2.gz YOPSXVFQQBEMDI-UHFFFAOYSA-N -1 0 295.298 2.233 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC(F)(F)F ZINC000250887161 304143323 /nfs/dbraw/zinc/14/33/23/304143323.db2.gz WRGRGCHVFNVGRG-YIZRAAEISA-N -1 0 279.258 2.183 50 0 CEAARM CC(C)(NC(=O)C1CCC(C(=O)[O-])CC1)c1nccs1 ZINC000193855509 369985731 /nfs/dbraw/zinc/98/57/31/369985731.db2.gz LPMFDCKCVFKKPH-UHFFFAOYSA-N -1 0 296.392 2.385 50 0 CEAARM O=C([O-])Cc1ccc(-c2cccc3c2OCC3)nc1 ZINC000215393196 370177095 /nfs/dbraw/zinc/17/70/95/370177095.db2.gz VCHRBOLZTYUHQS-UHFFFAOYSA-N -1 0 255.273 2.311 50 0 CEAARM C/C=C(\C)C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000221724089 370244480 /nfs/dbraw/zinc/24/44/80/370244480.db2.gz FXJCEBMVHHYYPK-XCVCLJGOSA-N -1 0 285.303 2.475 50 0 CEAARM C/C(=C\C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])C1CC1 ZINC000221725797 370244603 /nfs/dbraw/zinc/24/46/03/370244603.db2.gz ZTGSUAARKIWZEO-SAAWKEMMSA-N -1 0 287.359 2.402 50 0 CEAARM C/C(=C\C(=O)N(C)C[C@@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000221918378 370247447 /nfs/dbraw/zinc/24/74/47/370247447.db2.gz JWZFMYIQNVRUFE-PFEDMVJOSA-N -1 0 279.311 2.408 50 0 CEAARM CCC(CC)n1nccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236734064 370616901 /nfs/dbraw/zinc/61/69/01/370616901.db2.gz BUCJCGRNWRLPCP-HNNXBMFYSA-N -1 0 293.367 2.181 50 0 CEAARM CC(C)Oc1cccc(CC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000236756071 370619953 /nfs/dbraw/zinc/61/99/53/370619953.db2.gz SMNYADFFLXHZGN-AWEZNQCLSA-N -1 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/nfs/dbraw/zinc/88/80/20/189888020.db2.gz CQESQWALKRAEON-GFCCVEGCSA-N -1 0 287.319 2.094 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C(=O)[O-] ZINC000241862511 189905419 /nfs/dbraw/zinc/90/54/19/189905419.db2.gz SQRSOPQEZAAHLB-IWSPIJDZSA-N -1 0 281.274 2.192 50 0 CEAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1Cl ZINC000643847097 373285745 /nfs/dbraw/zinc/28/57/45/373285745.db2.gz VTRCRLCAJIODEH-AWEZNQCLSA-N -1 0 297.738 2.046 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005678155 304181494 /nfs/dbraw/zinc/18/14/94/304181494.db2.gz FOXXIFDHMCGGSG-MNOVXSKESA-N -1 0 291.303 2.245 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)cc1Cl ZINC000021967172 304186380 /nfs/dbraw/zinc/18/63/80/304186380.db2.gz NLRMFNHPCFPPCC-SNVBAGLBSA-N -1 0 271.675 2.168 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000037410280 304185975 /nfs/dbraw/zinc/18/59/75/304185975.db2.gz XCMDMTZPYQOCFP-SNVBAGLBSA-N -1 0 289.665 2.307 50 0 CEAARM CC(C)[C@@H](Oc1ccccc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000426620048 377425601 /nfs/dbraw/zinc/42/56/01/377425601.db2.gz NGVQFBDEUNADQU-YRGRVCCFSA-N -1 0 291.347 2.069 50 0 CEAARM CC1(C)C[C@@]1(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000426373577 377400496 /nfs/dbraw/zinc/40/04/96/377400496.db2.gz GHBMLSDMHLNPOY-PPHDSNJXSA-N -1 0 287.359 2.334 50 0 CEAARM Cc1cccc([C@H](NC(=O)CSCC2CC2)C(=O)[O-])c1 ZINC000426386967 377402207 /nfs/dbraw/zinc/40/22/07/377402207.db2.gz VJFLUTRUBHDZAT-AWEZNQCLSA-N -1 0 293.388 2.380 50 0 CEAARM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1Cl ZINC000426424226 377405522 /nfs/dbraw/zinc/40/55/22/377405522.db2.gz IRRISJJAPUGTOV-SECBINFHSA-N -1 0 299.758 2.231 50 0 CEAARM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)cs1 ZINC000426497304 377412774 /nfs/dbraw/zinc/41/27/74/377412774.db2.gz RWCHLJOPJHYVDA-NSHDSACASA-N -1 0 267.350 2.465 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000008912287 304207613 /nfs/dbraw/zinc/20/76/13/304207613.db2.gz 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/nfs/dbraw/zinc/55/44/69/169554469.db2.gz BVXYITKPGKPOKT-LBPRGKRZSA-N -1 0 299.326 2.469 50 0 CEAARM CSC[C@@H](C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237353974 295608486 /nfs/dbraw/zinc/60/84/86/295608486.db2.gz PWXLBRBHERLAGH-GHMZBOCLSA-N -1 0 273.398 2.231 50 0 CEAARM CC(C)Oc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000000332706 169609611 /nfs/dbraw/zinc/60/96/11/169609611.db2.gz SQPVACLHVRWFLM-CYBMUJFWSA-N -1 0 277.320 2.163 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000521362047 256854957 /nfs/dbraw/zinc/85/49/57/256854957.db2.gz IMMIYNSDVMMUBF-BBBLOLIVSA-N -1 0 287.237 2.127 50 0 CEAARM O=C([O-])c1cnc2scc(-c3ccccc3)n2c1=O ZINC000019413949 304279434 /nfs/dbraw/zinc/27/94/34/304279434.db2.gz XVIVXZZHTYSUOX-UHFFFAOYSA-N -1 0 272.285 2.121 50 0 CEAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000000555165 169667724 /nfs/dbraw/zinc/66/77/24/169667724.db2.gz FCOWWOHHXDOGCL-UHFFFAOYSA-N -1 0 291.328 2.210 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2cccc(F)c2F)CCCC1 ZINC000094711807 184844854 /nfs/dbraw/zinc/84/48/54/184844854.db2.gz FIOOVTIRMKUKSX-UHFFFAOYSA-N -1 0 283.274 2.021 50 0 CEAARM COC(=O)c1c([O-])c2ccsc2n(C(C)C)c1=O ZINC000040450097 291995339 /nfs/dbraw/zinc/99/53/39/291995339.db2.gz KYLVAAZIXFBMFN-UHFFFAOYSA-N -1 0 267.306 2.136 50 0 CEAARM C[C@H]1CC[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)O1 ZINC000237555732 131041542 /nfs/dbraw/zinc/04/15/42/131041542.db2.gz YEVJCLGQGMAISR-CORIIIEPSA-N -1 0 291.347 2.276 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000238128086 131078127 /nfs/dbraw/zinc/07/81/27/131078127.db2.gz CHIBVVDYTQDZHD-QWHCGFSZSA-N -1 0 295.310 2.027 50 0 CEAARM O=C([O-])Cc1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1 ZINC000262267638 131207145 /nfs/dbraw/zinc/20/71/45/131207145.db2.gz VSERZOCHGOQEOK-UHFFFAOYSA-N -1 0 285.303 2.167 50 0 CEAARM O=C([O-])[C@H]1CC12CCN(C(=O)C[C@@H]1C=CCC1)CC2 ZINC000262414709 131219308 /nfs/dbraw/zinc/21/93/08/131219308.db2.gz JTFDKWJDBLXPQE-VXGBXAGGSA-N -1 0 263.337 2.056 50 0 CEAARM Cc1ccc(CC(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000262627075 131244380 /nfs/dbraw/zinc/24/43/80/131244380.db2.gz DUVKXOCWIMDBGP-UHFFFAOYSA-N -1 0 281.377 2.359 50 0 CEAARM CCC[C@]1(CO)CCCN(c2cc(C(=O)[O-])ccn2)C1 ZINC000092098732 135075736 /nfs/dbraw/zinc/07/57/36/135075736.db2.gz AAKXUGLXIYNJIU-HNNXBMFYSA-N -1 0 278.352 2.159 50 0 CEAARM CC(=O)N(C)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000095883301 394674615 /nfs/dbraw/zinc/67/46/15/394674615.db2.gz DNDPWFMOXVRLDA-SNVBAGLBSA-N -1 0 259.664 2.083 50 0 CEAARM O=C([O-])[C@@H](CC1CC1)NC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000569260010 395575850 /nfs/dbraw/zinc/57/58/50/395575850.db2.gz MQOMYPBNRNVLJP-ZIAGYGMSSA-N -1 0 291.322 2.225 50 0 CEAARM COc1cccc(OC)c1-c1ccc(CC(=O)[O-])cn1 ZINC000216431005 400306122 /nfs/dbraw/zinc/30/61/22/400306122.db2.gz HMEVVJHISQAKPN-UHFFFAOYSA-N -1 0 273.288 2.393 50 0 CEAARM [O-]c1cc(F)c(F)cc1I ZINC000085221548 296590159 /nfs/dbraw/zinc/59/01/59/296590159.db2.gz OHSZEZNXAOQRPC-UHFFFAOYSA-N -1 0 255.989 2.275 50 0 CEAARM 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/nfs/dbraw/zinc/01/37/67/364013767.db2.gz IXHXACDSESCGEF-UHFFFAOYSA-N -1 0 281.337 2.040 50 0 CEAARM O=C([O-])[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000092862317 364113762 /nfs/dbraw/zinc/11/37/62/364113762.db2.gz ZBXAWODZIJMEBU-QWHCGFSZSA-N -1 0 258.277 2.035 50 0 CEAARM C[C@H](Cc1cccs1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237571748 370733768 /nfs/dbraw/zinc/73/37/68/370733768.db2.gz IWOPKPROXJTHQL-SNVBAGLBSA-N -1 0 281.377 2.250 50 0 CEAARM C[C@@H](CN(C)C(=O)[C@H]1SCCc2ccccc21)C(=O)[O-] ZINC000237397192 370717137 /nfs/dbraw/zinc/71/71/37/370717137.db2.gz BAOPKTCVNIBCJT-GWCFXTLKSA-N -1 0 293.388 2.196 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/C2CCCCC2)C1 ZINC000237946185 370761934 /nfs/dbraw/zinc/76/19/34/370761934.db2.gz HFFYVHPFRJTQLA-NNNHXZLVSA-N -1 0 251.326 2.056 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)COC2CCCCC2)C1 ZINC000237949692 370763081 /nfs/dbraw/zinc/76/30/81/370763081.db2.gz NNZSTJWTUUIYJR-ZDUSSCGKSA-N -1 0 297.395 2.439 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000238098088 370770804 /nfs/dbraw/zinc/77/08/04/370770804.db2.gz QOHDFGCWSJLXHT-QMMMGPOBSA-N -1 0 277.251 2.119 50 0 CEAARM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)s1 ZINC000094554346 364276734 /nfs/dbraw/zinc/27/67/34/364276734.db2.gz JVCPZISNKKJQDM-UHFFFAOYSA-N -1 0 265.290 2.278 50 0 CEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1cccc(F)c1F ZINC000094711836 364290003 /nfs/dbraw/zinc/29/00/03/364290003.db2.gz KKUFKZQHKYTTOZ-SECBINFHSA-N -1 0 285.290 2.219 50 0 CEAARM CCC[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nnn[n-]1 ZINC000095287758 364341872 /nfs/dbraw/zinc/34/18/72/364341872.db2.gz LYYYNHVFJNTXID-SECBINFHSA-N -1 0 291.380 2.021 50 0 CEAARM CC(C)c1nc(CN[C@@H](C(=O)[O-])c2ccccc2)no1 ZINC000050511691 541365961 /nfs/dbraw/zinc/36/59/61/541365961.db2.gz MDFXIBCTXADNKE-GFCCVEGCSA-N -1 0 275.308 2.109 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000111475993 304116976 /nfs/dbraw/zinc/11/69/76/304116976.db2.gz RZIDJMCTOZSUMD-VXGBXAGGSA-N -1 0 273.332 2.420 50 0 CEAARM N=c1[n-]nc([C@@H]2CCCN(Cc3c(F)cccc3F)C2)o1 ZINC000585116087 367178908 /nfs/dbraw/zinc/17/89/08/367178908.db2.gz GZEPPYFMESGHGN-SECBINFHSA-N -1 0 294.305 2.140 50 0 CEAARM O=C([O-])C1(C(=O)Nc2cccc(OC(F)F)c2)CC1 ZINC000165019731 367300896 /nfs/dbraw/zinc/30/08/96/367300896.db2.gz QPGSLRDHKUUGAY-UHFFFAOYSA-N -1 0 271.219 2.091 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2c(F)cccc2Cl)N1 ZINC000003910391 304137878 /nfs/dbraw/zinc/13/78/78/304137878.db2.gz PRXCOYDDYVVUSY-IONNQARKSA-N -1 0 261.705 2.267 50 0 CEAARM Nc1cc(CC(=O)[O-])ccc1OCc1ccccc1 ZINC000164009647 541731512 /nfs/dbraw/zinc/73/15/12/541731512.db2.gz BUURCLDBSHCPDN-UHFFFAOYSA-N -1 0 257.289 2.475 50 0 CEAARM Cc1nc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c(C)s1 ZINC000190924094 369662262 /nfs/dbraw/zinc/66/22/62/369662262.db2.gz AULUYKOFQIBJSE-UHFFFAOYSA-N -1 0 294.332 2.290 50 0 CEAARM O=c1[n-]c(SCc2cc(F)cc3cccnc32)n[nH]1 ZINC000194618913 370058783 /nfs/dbraw/zinc/05/87/83/370058783.db2.gz JYVJBTMPGBWFTC-UHFFFAOYSA-N -1 0 276.296 2.490 50 0 CEAARM Cc1cccc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000207342514 370158094 /nfs/dbraw/zinc/15/80/94/370158094.db2.gz XIQBDSXUSOOHSJ-WAYWQWQTSA-N -1 0 273.332 2.331 50 0 CEAARM Cc1ncsc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000220420178 370233729 /nfs/dbraw/zinc/23/37/29/370233729.db2.gz HRIPRBAZESRKQI-DCAQKATOSA-N -1 0 294.376 2.309 50 0 CEAARM C/C(=C/c1ccc(F)cc1)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000222162997 370251868 /nfs/dbraw/zinc/25/18/68/370251868.db2.gz AIOUXQYEDIHECH-HIJJYWJESA-N -1 0 279.311 2.408 50 0 CEAARM CC(C)Oc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000236661354 370603913 /nfs/dbraw/zinc/60/39/13/370603913.db2.gz WEVOOJZDRPZNJV-CYBMUJFWSA-N -1 0 291.347 2.092 50 0 CEAARM O=C([O-])[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000013400545 304159283 /nfs/dbraw/zinc/15/92/83/304159283.db2.gz STJKIRXHQHUNJJ-IEBDPFPHSA-N -1 0 299.248 2.251 50 0 CEAARM CC(C)C[C@@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000252532854 371452833 /nfs/dbraw/zinc/45/28/33/371452833.db2.gz FIKJFBKIACZRMB-CYBMUJFWSA-N -1 0 288.347 2.407 50 0 CEAARM CC(=NNc1ccccc1C(=O)[O-])c1cn(C)nc1C ZINC000252675852 371468230 /nfs/dbraw/zinc/46/82/30/371468230.db2.gz VGTUWLNVRNPPBO-UHFFFAOYSA-N -1 0 272.308 2.263 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000253370752 371511402 /nfs/dbraw/zinc/51/14/02/371511402.db2.gz VMOMWIVOZWDZBF-JURCDPSOSA-N -1 0 287.359 2.468 50 0 CEAARM C[C@H](CN(C(=O)CC[C@@H]1CC[C@@H](C)O1)C1CC1)C(=O)[O-] ZINC000237377268 189873843 /nfs/dbraw/zinc/87/38/43/189873843.db2.gz SATBJAIXVPNRMN-WZRBSPASSA-N -1 0 283.368 2.046 50 0 CEAARM Cc1ccc(N2CCCC2)c(C(=O)N(C)CCC(=O)[O-])c1 ZINC000269083929 372336945 /nfs/dbraw/zinc/33/69/45/372336945.db2.gz JUZYBXLECSLTSO-UHFFFAOYSA-N -1 0 290.363 2.142 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000269136303 372352118 /nfs/dbraw/zinc/35/21/18/372352118.db2.gz DEHLGKJZKWZHPN-NSHDSACASA-N -1 0 275.329 2.448 50 0 CEAARM O=C([O-])c1cccc(C(=O)N2CCOC3(CCCC3)C2)c1 ZINC000238205893 189900249 /nfs/dbraw/zinc/90/02/49/189900249.db2.gz WRSNGBAODXMMQK-UHFFFAOYSA-N -1 0 289.331 2.170 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000177258 304176004 /nfs/dbraw/zinc/17/60/04/304176004.db2.gz JTNGNKFRLSZNJZ-MNOVXSKESA-N -1 0 289.287 2.021 50 0 CEAARM O=C([O-])[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000001383841 304176210 /nfs/dbraw/zinc/17/62/10/304176210.db2.gz AQHJUYDWZNSTQO-JSGCOSHPSA-N -1 0 259.305 2.213 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC000268907386 304176948 /nfs/dbraw/zinc/17/69/48/304176948.db2.gz DARXLEDTTKJCGS-GFCCVEGCSA-N -1 0 251.326 2.343 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc2cnccc21 ZINC000262681998 304179344 /nfs/dbraw/zinc/17/93/44/304179344.db2.gz SWFVPSHXZMIBHW-CQSZACIVSA-N -1 0 284.315 2.314 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000000293126 304181311 /nfs/dbraw/zinc/18/13/11/304181311.db2.gz KYLPETYBULKPEF-NEPJUHHUSA-N -1 0 253.342 2.280 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1Br ZINC000011890717 304186998 /nfs/dbraw/zinc/18/69/98/304186998.db2.gz MVRSZMRZARVISV-SNVBAGLBSA-N -1 0 298.136 2.138 50 0 CEAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1cccc2nccnc21 ZINC000388333163 375288731 /nfs/dbraw/zinc/28/87/31/375288731.db2.gz KSWOTMPFCYPZMI-MRXNPFEDSA-N -1 0 299.330 2.099 50 0 CEAARM CC1(C)C[C@]1(C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000426373576 377400953 /nfs/dbraw/zinc/40/09/53/377400953.db2.gz GHBMLSDMHLNPOY-BTJLNZGRSA-N -1 0 287.359 2.334 50 0 CEAARM CC1(C)C[C@]1(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000426386863 377402741 /nfs/dbraw/zinc/40/27/41/377402741.db2.gz GHBMLSDMHLNPOY-CJBNDPTMSA-N -1 0 287.359 2.334 50 0 CEAARM O=C([O-])c1n[nH]c2cc(Br)cc(F)c21 ZINC000014983304 304216597 /nfs/dbraw/zinc/21/65/97/304216597.db2.gz CCPDJXSRIPZFSY-UHFFFAOYSA-N -1 0 259.034 2.163 50 0 CEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000299748027 379126719 /nfs/dbraw/zinc/12/67/19/379126719.db2.gz FWUXCGZTURPHIN-MNOVXSKESA-N -1 0 279.723 2.166 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000096309 169534623 /nfs/dbraw/zinc/53/46/23/169534623.db2.gz QHOGPVCLQLWLMW-VOTSOKGWSA-N -1 0 274.301 2.389 50 0 CEAARM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1CCCc2ccccc21 ZINC000036884883 542276892 /nfs/dbraw/zinc/27/68/92/542276892.db2.gz PRYZZXBXFANJOW-OAHLLOKOSA-N -1 0 287.359 2.430 50 0 CEAARM O=C([O-])c1cc(F)cc(I)c1 ZINC000002528698 304224914 /nfs/dbraw/zinc/22/49/14/304224914.db2.gz GYWJTQMNTRDRNA-UHFFFAOYSA-N -1 0 266.009 2.129 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000492317885 380516208 /nfs/dbraw/zinc/51/62/08/380516208.db2.gz KYYXQQARFLNRQY-ZPIQOJFGSA-N -1 0 296.326 2.324 50 0 CEAARM Cc1c(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])oc2ccc(F)cc12 ZINC000268888265 190447689 /nfs/dbraw/zinc/44/76/89/190447689.db2.gz DDRLSLGFPSFURW-GHMZBOCLSA-N -1 0 291.278 2.217 50 0 CEAARM Cn1nccc1NC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000000153162 169556217 /nfs/dbraw/zinc/55/62/17/169556217.db2.gz GHUGHLWLVBGWOP-GFCCVEGCSA-N -1 0 287.319 2.007 50 0 CEAARM COC[C@@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000004864639 285217749 /nfs/dbraw/zinc/21/77/49/285217749.db2.gz LEISBXJTHKRKIZ-MRVPVSSYSA-N -1 0 250.323 2.266 50 0 CEAARM CCN=c1[n-]nc(-c2sc(=S)n(C)c2C)s1 ZINC000524733075 256784462 /nfs/dbraw/zinc/78/44/62/256784462.db2.gz QYBJHUWBCBNCMY-UHFFFAOYSA-N -1 0 272.424 2.497 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000001346959 169695665 /nfs/dbraw/zinc/69/56/65/169695665.db2.gz GAPSRKHBYRYNLL-JTQLQIEISA-N -1 0 268.700 2.421 50 0 CEAARM C[C@H](CC(=O)NC(C)(C)C(=O)[O-])Cc1cccc(F)c1 ZINC000096494252 533645394 /nfs/dbraw/zinc/64/53/94/533645394.db2.gz JLJRUVDHFPZYDN-JTQLQIEISA-N -1 0 281.327 2.374 50 0 CEAARM O=C([O-])c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)s1 ZINC000237969678 131069618 /nfs/dbraw/zinc/06/96/18/131069618.db2.gz USDGXLYOLBVDNH-SECBINFHSA-N -1 0 295.360 2.087 50 0 CEAARM CCOC(=O)c1[nH]c2ccccc2c1CCC(=O)[O-] ZINC000013362658 394463168 /nfs/dbraw/zinc/46/31/68/394463168.db2.gz SAHLQESAZQTCAU-UHFFFAOYSA-N -1 0 261.277 2.362 50 0 CEAARM CC(C)c1ccsc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000236811917 394487516 /nfs/dbraw/zinc/48/75/16/394487516.db2.gz CORCCMPOFUVOEO-VIFPVBQESA-N -1 0 267.350 2.418 50 0 CEAARM CC(C)(C)c1ncc(Br)c(C(=O)[O-])n1 ZINC000039192826 394499235 /nfs/dbraw/zinc/49/92/35/394499235.db2.gz QBCWSAPYKRVEIH-UHFFFAOYSA-N -1 0 259.103 2.235 50 0 CEAARM Cc1cccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)c1 ZINC000101829875 400252722 /nfs/dbraw/zinc/25/27/22/400252722.db2.gz SBGLESSKRDTORX-CQSZACIVSA-N -1 0 294.310 2.239 50 0 CEAARM Cc1nc(C2CC2)oc1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000262953723 154000377 /nfs/dbraw/zinc/00/03/77/154000377.db2.gz IIWMLECOHOCVRG-HNNXBMFYSA-N -1 0 292.335 2.187 50 0 CEAARM CC(C)c1nnc(N2C[C@@H](C)C[C@H](C(=O)[O-])C2)s1 ZINC000263113777 154021156 /nfs/dbraw/zinc/02/11/56/154021156.db2.gz DPOBMBHEWVCRBZ-IUCAKERBSA-N -1 0 269.370 2.209 50 0 CEAARM CC[C@H](OC)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263346391 154062263 /nfs/dbraw/zinc/06/22/63/154062263.db2.gz UCWJBWOHRMZJOQ-CABZTGNLSA-N -1 0 265.309 2.238 50 0 CEAARM C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013307060 299768595 /nfs/dbraw/zinc/76/85/95/299768595.db2.gz AIGQXMCTIXMTLU-QMMMGPOBSA-N -1 0 289.378 2.009 50 0 CEAARM CCOc1cc(C(=O)[O-])nc2cc3c(cc21)OCCO3 ZINC000071775325 286554693 /nfs/dbraw/zinc/55/46/93/286554693.db2.gz GCRPWUSFSJXZEY-UHFFFAOYSA-N -1 0 275.260 2.103 50 0 CEAARM CC(=O)N/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000004710225 170003200 /nfs/dbraw/zinc/00/32/00/170003200.db2.gz CIZAVZKYEIKINQ-POHAHGRESA-N -1 0 289.209 2.147 50 0 CEAARM CCc1cc(C(F)(F)F)n2ncc(C(=O)[O-])c2n1 ZINC000004992670 170051050 /nfs/dbraw/zinc/05/10/50/170051050.db2.gz XSTFRVOFOXGPBI-UHFFFAOYSA-N -1 0 259.187 2.009 50 0 CEAARM CC(C)C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000005215588 170076767 /nfs/dbraw/zinc/07/67/67/170076767.db2.gz XHFCBRZIYMTRCB-LBPRGKRZSA-N -1 0 282.315 2.124 50 0 CEAARM CCCCCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006042145 170170773 /nfs/dbraw/zinc/17/07/73/170170773.db2.gz XGOOGILWANDIKI-VXGBXAGGSA-N -1 0 253.342 2.350 50 0 CEAARM CCCCn1c2ccccc2nc1SCC(=O)[O-] ZINC000006359880 170195168 /nfs/dbraw/zinc/19/51/68/170195168.db2.gz WKBUYCIJDRVGMQ-UHFFFAOYSA-O -1 0 265.358 2.432 50 0 CEAARM O=C([O-])c1ccc([C@H](O)[C@@H](O)c2ccccc2)cc1 ZINC000006624012 170219992 /nfs/dbraw/zinc/21/99/92/170219992.db2.gz KLYIEQHUHIVICV-KBPBESRZSA-N -1 0 258.273 2.152 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1F ZINC000006698632 170227727 /nfs/dbraw/zinc/22/77/27/170227727.db2.gz UQUJKRFYRXFSHJ-NEPJUHHUSA-N -1 0 279.311 2.333 50 0 CEAARM CCc1cccc([N-]S(=O)(=O)c2cnn(CC)c2)c1 ZINC000006699639 170228608 /nfs/dbraw/zinc/22/86/08/170228608.db2.gz WEYGODPCSQKTOP-UHFFFAOYSA-N -1 0 279.365 2.266 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)no1 ZINC000006706518 170230933 /nfs/dbraw/zinc/23/09/33/170230933.db2.gz YYWVIPJSJVMLNP-UHFFFAOYSA-N -1 0 266.322 2.401 50 0 CEAARM CC(C)(C)OC(=O)NCc1ccccc1C(=O)[O-] ZINC000006882715 170252881 /nfs/dbraw/zinc/25/28/81/170252881.db2.gz FAZMFLNCRFKVDW-UHFFFAOYSA-N -1 0 251.282 2.410 50 0 CEAARM CCCc1nn2c([n-]1)nc(-c1ccc(OC)cc1)cc2=O ZINC000008769061 170355418 /nfs/dbraw/zinc/35/54/18/170355418.db2.gz DYWYXNANECRJDA-UHFFFAOYSA-N -1 0 284.319 2.458 50 0 CEAARM Cc1nnc(SCCOc2ccccc2)[n-]c1=O ZINC000008834360 170356992 /nfs/dbraw/zinc/35/69/92/170356992.db2.gz MXDKBBKWEWHNOO-UHFFFAOYSA-N -1 0 263.322 2.057 50 0 CEAARM COc1ccc2c(C)c(CCC(=O)[O-])c(=O)oc2c1OC ZINC000012296323 170475214 /nfs/dbraw/zinc/47/52/14/170475214.db2.gz NSVIYXGOHRVGIX-UHFFFAOYSA-N -1 0 292.287 2.136 50 0 CEAARM O=C([O-])[C@H](c1c[nH]c2cccc(Cl)c21)N1CCOCC1 ZINC000012322058 170475683 /nfs/dbraw/zinc/47/56/83/170475683.db2.gz VFDVYSOHLWTPSB-ZDUSSCGKSA-N -1 0 294.738 2.279 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000013260703 170541502 /nfs/dbraw/zinc/54/15/02/170541502.db2.gz HYADBZMQYURYOU-CQSZACIVSA-N -1 0 298.342 2.414 50 0 CEAARM COc1cc(C(=O)[O-])c(NC(=O)OC(C)(C)C)cn1 ZINC000014982322 170651461 /nfs/dbraw/zinc/65/14/61/170651461.db2.gz YSPBACAUWGFVRJ-UHFFFAOYSA-N -1 0 268.269 2.135 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCCc1ccccc1 ZINC000020431020 171195713 /nfs/dbraw/zinc/19/57/13/171195713.db2.gz PJLWEWJUNPUETF-CQSZACIVSA-N -1 0 275.348 2.475 50 0 CEAARM CCCCN(CCCC)C(=O)c1nn(C)cc1C(=O)[O-] ZINC000020616436 171267839 /nfs/dbraw/zinc/26/78/39/171267839.db2.gz KWEBFVFAVJXXLD-UHFFFAOYSA-N -1 0 281.356 2.161 50 0 CEAARM CCOc1ccc(-c2ccnc3c(C(=O)[O-])cnn32)cc1 ZINC000021658418 171318514 /nfs/dbraw/zinc/31/85/14/171318514.db2.gz TYSMNOPMYJAIAU-UHFFFAOYSA-N -1 0 283.287 2.493 50 0 CEAARM CC(C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000021957490 171341744 /nfs/dbraw/zinc/34/17/44/171341744.db2.gz WZQGWIDABKSUST-CQSZACIVSA-N -1 0 288.347 2.326 50 0 CEAARM O=C([O-])c1ccccc1-n1nnnc1-c1ccccc1 ZINC000022782301 171398937 /nfs/dbraw/zinc/39/89/37/171398937.db2.gz LOKHKGNTGUAROA-UHFFFAOYSA-N -1 0 266.260 2.028 50 0 CEAARM O=C([O-])c1ccccc1Cn1ncc(=O)c2ccccc21 ZINC000035221529 172063654 /nfs/dbraw/zinc/06/36/54/172063654.db2.gz PGHQJDGBICXDIP-UHFFFAOYSA-N -1 0 280.283 2.143 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccccc2OC(F)F)CCCC1 ZINC000037329706 173131308 /nfs/dbraw/zinc/13/13/08/173131308.db2.gz YSIZJWQOWHPUMO-UHFFFAOYSA-N -1 0 299.273 2.415 50 0 CEAARM Cc1cc(C)cc(OCC(=O)N(CCC(=O)[O-])C2CC2)c1 ZINC000037582734 173529153 /nfs/dbraw/zinc/52/91/53/173529153.db2.gz RRLYFOGFWYGCER-UHFFFAOYSA-N -1 0 291.347 2.148 50 0 CEAARM O=C([O-])c1cc(NC(=O)OCC(F)(F)F)ccc1O ZINC000040503315 174299511 /nfs/dbraw/zinc/29/95/11/174299511.db2.gz JMJQRQZWBLTWFA-UHFFFAOYSA-N -1 0 279.170 2.201 50 0 CEAARM C[C@H]1CN(c2ncccc2C(=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000662900281 414796986 /nfs/dbraw/zinc/79/69/86/414796986.db2.gz MXYIPFPWMPODRD-SDBXPKJASA-N -1 0 286.278 2.029 50 0 CEAARM Cc1cc(F)ccc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663153805 414874311 /nfs/dbraw/zinc/87/43/11/414874311.db2.gz SHLFFFUGANUBRT-ZDUSSCGKSA-N -1 0 279.311 2.365 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000044690230 175233064 /nfs/dbraw/zinc/23/30/64/175233064.db2.gz BKRGJRDPSWISLS-NHYWBVRUSA-N -1 0 288.347 2.257 50 0 CEAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc2c[nH]nc21 ZINC000044980307 175283003 /nfs/dbraw/zinc/28/30/03/175283003.db2.gz HOCSBRKRAFQUNV-UHFFFAOYSA-N -1 0 295.298 2.442 50 0 CEAARM COc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1C(C)C ZINC000045922826 175386649 /nfs/dbraw/zinc/38/66/49/175386649.db2.gz FWPRGBYHBWIUAX-SMDDNHRTSA-N -1 0 277.320 2.078 50 0 CEAARM Cc1ccc(-c2nc(C)cc(OCC(=O)[O-])n2)cc1 ZINC000045950368 175388489 /nfs/dbraw/zinc/38/84/89/175388489.db2.gz IKXHBLBNOQYKCO-UHFFFAOYSA-N -1 0 258.277 2.224 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccco2)[C@@H]1c1ccccc1 ZINC000049466592 175480607 /nfs/dbraw/zinc/48/06/07/175480607.db2.gz DYUIYZKUYIIHPN-UKRRQHHQSA-N -1 0 285.299 2.454 50 0 CEAARM Cc1ccc(/C=C/C(=O)N(CC(=O)[O-])CC(C)C)o1 ZINC000059881913 175634545 /nfs/dbraw/zinc/63/45/45/175634545.db2.gz 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/nfs/dbraw/zinc/39/28/50/177392850.db2.gz WJUJFQGIXPUXRZ-UHFFFAOYSA-N -1 0 290.266 2.402 50 0 CEAARM CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000012647874 260063180 /nfs/dbraw/zinc/06/31/80/260063180.db2.gz PZUQNQCQELEZKE-JTQLQIEISA-N -1 0 286.125 2.101 50 0 CEAARM CC(=O)c1c(C)cc2oc(=O)c3c(c2c1[O-])CCC3 ZINC000012900690 277102253 /nfs/dbraw/zinc/10/22/53/277102253.db2.gz MTXQDPGETJSYJH-UHFFFAOYSA-N -1 0 258.273 2.498 50 0 CEAARM CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(=O)[O-])OC2)CC1 ZINC000091303152 278384404 /nfs/dbraw/zinc/38/44/04/278384404.db2.gz ITMBUXNOUOBFFK-LLVKDONJSA-N -1 0 299.367 2.267 50 0 CEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000002379443 278441926 /nfs/dbraw/zinc/44/19/26/278441926.db2.gz IEQBOUSLFRLKKX-JTQLQIEISA-N -1 0 269.272 2.476 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000199878074 280206137 /nfs/dbraw/zinc/20/61/37/280206137.db2.gz MNQVJMRAMYCZND-GZTOBOFZSA-N -1 0 279.723 2.286 50 0 CEAARM CC(C)[C@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000006810771 280231097 /nfs/dbraw/zinc/23/10/97/280231097.db2.gz XKHIAOOVTINZQE-QMMMGPOBSA-N -1 0 256.327 2.219 50 0 CEAARM CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000011890950 280611019 /nfs/dbraw/zinc/61/10/19/280611019.db2.gz KVOHIYCKWXUYMN-CYBMUJFWSA-N -1 0 297.376 2.048 50 0 CEAARM CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)[O-] ZINC000001870267 281433990 /nfs/dbraw/zinc/43/39/90/281433990.db2.gz XBIXBUAXKCIZPA-MWLCHTKSSA-N -1 0 263.318 2.120 50 0 CEAARM CCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000019411603 288530620 /nfs/dbraw/zinc/53/06/20/288530620.db2.gz GCOFYRLSUAGHSG-CYBMUJFWSA-N -1 0 261.321 2.328 50 0 CEAARM C[C@@H]1CN(c2cc(F)c(C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000169801134 297077607 /nfs/dbraw/zinc/07/76/07/297077607.db2.gz IBHGMIOMYNYYGH-OCAPTIKFSA-N -1 0 271.263 2.277 50 0 CEAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000263560833 298200165 /nfs/dbraw/zinc/20/01/65/298200165.db2.gz RIUCLDHJQPVEHI-GZMMTYOYSA-N -1 0 297.738 2.391 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)c1cc(-c2ccccc2)on1 ZINC000070310918 298368588 /nfs/dbraw/zinc/36/85/88/298368588.db2.gz FDZCNXOHHIBQHE-SNVBAGLBSA-N -1 0 288.303 2.325 50 0 CEAARM Cc1cc(N(C)C[C@@H](C)C(=O)[O-])nc(-c2cccnc2)n1 ZINC000263539194 301330327 /nfs/dbraw/zinc/33/03/27/301330327.db2.gz BMXHSYKAEYUVOT-SNVBAGLBSA-N -1 0 286.335 2.004 50 0 CEAARM Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1C ZINC000248129309 301523513 /nfs/dbraw/zinc/52/35/13/301523513.db2.gz MPVOEVPCSHMFKK-SCRDCRAPSA-N -1 0 290.363 2.191 50 0 CEAARM Cc1cccn2c(Br)c(C(=O)[O-])nc12 ZINC000071864028 302229907 /nfs/dbraw/zinc/22/99/07/302229907.db2.gz VBSKBCORIVVKLI-UHFFFAOYSA-N -1 0 255.071 2.103 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)CC(=O)[O-] ZINC000252486532 302310976 /nfs/dbraw/zinc/31/09/76/302310976.db2.gz LCDQNLHWRGHJOW-BBBLOLIVSA-N -1 0 267.350 2.139 50 0 CEAARM Cc1ncsc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252364458 302722826 /nfs/dbraw/zinc/72/28/26/302722826.db2.gz HRIPRBAZESRKQI-MXWKQRLJSA-N -1 0 294.376 2.309 50 0 CEAARM O=c1nc2[nH]ccc(-c3cccc4ccccc43)c-2c(=O)[n-]1 ZINC000009476795 304813872 /nfs/dbraw/zinc/81/38/72/304813872.db2.gz GSDHQOGIRZJXAX-UHFFFAOYSA-N -1 0 289.294 2.432 50 0 CEAARM CN(Cc1cccn1C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097237102 321695231 /nfs/dbraw/zinc/69/52/31/321695231.db2.gz CHSHRTCVQKREMZ-UHFFFAOYSA-N -1 0 298.264 2.420 50 0 CEAARM CO[C@H](C)c1ccc(-c2cn(C)nc2C(=O)[O-])cc1 ZINC000534654456 328339022 /nfs/dbraw/zinc/33/90/22/328339022.db2.gz ALMLFTDZGLVRKJ-SECBINFHSA-N -1 0 260.293 2.493 50 0 CEAARM C[C@H](Oc1cccc(-c2ccccc2C(=O)[O-])c1)C(N)=O ZINC000534663974 328351487 /nfs/dbraw/zinc/35/14/87/328351487.db2.gz IONQVFVCPFWOBL-JTQLQIEISA-N -1 0 285.299 2.304 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000236624845 518410731 /nfs/dbraw/zinc/41/07/31/518410731.db2.gz WIZMWHGRSQORSK-CHOZFAJLSA-N -1 0 277.295 2.305 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000097017970 534500415 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O=C([O-])[C@@H]1CCCN1C(=O)CCCOc1ccc(F)cc1 ZINC000033448593 361781379 /nfs/dbraw/zinc/78/13/79/361781379.db2.gz XKXVHEQTXKGJQH-ZDUSSCGKSA-N -1 0 295.310 2.060 50 0 CEAARM C[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000035185511 361819826 /nfs/dbraw/zinc/81/98/26/361819826.db2.gz VMDRDLFRWQKLPG-QMMMGPOBSA-N -1 0 253.323 2.318 50 0 CEAARM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccoc1 ZINC000036895599 361867486 /nfs/dbraw/zinc/86/74/86/361867486.db2.gz UDZSBABCEQPWTE-UHFFFAOYSA-N -1 0 257.245 2.181 50 0 CEAARM CC(C)(C)OC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000036908829 361870548 /nfs/dbraw/zinc/87/05/48/361870548.db2.gz IIHASBWHDACFGZ-UHFFFAOYSA-N -1 0 265.309 2.452 50 0 CEAARM O=C([O-])CCCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000036966143 361876259 /nfs/dbraw/zinc/87/62/59/361876259.db2.gz IEAKISMVOZAKTB-UHFFFAOYSA-N -1 0 275.348 2.089 50 0 CEAARM O=C([O-])CN(C(=O)c1cc(Cl)ccc1F)C1CC1 ZINC000037588496 361907244 /nfs/dbraw/zinc/90/72/44/361907244.db2.gz MMAYKHBOXYGRFQ-UHFFFAOYSA-N -1 0 271.675 2.168 50 0 CEAARM 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/nfs/dbraw/zinc/24/24/79/361242479.db2.gz VHBNWQLIRVDMMR-LLVKDONJSA-N -1 0 281.308 2.433 50 0 CEAARM CSCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583250 361242658 /nfs/dbraw/zinc/24/26/58/361242658.db2.gz BAEQTHFWJCXUCC-NSHDSACASA-N -1 0 263.359 2.108 50 0 CEAARM CCS(=O)(=O)Nc1cnn(Cc2cccc(C)c2)c1 ZINC000002804435 361252995 /nfs/dbraw/zinc/25/29/95/361252995.db2.gz BWKMMJXCZLZNOJ-UHFFFAOYSA-N -1 0 279.365 2.001 50 0 CEAARM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(Cl)cc1 ZINC000003119522 361263869 /nfs/dbraw/zinc/26/38/69/361263869.db2.gz ZPZANTHYGZCVNT-SECBINFHSA-N -1 0 269.728 2.457 50 0 CEAARM Cc1cc(C)nc(NC(=N)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000004123340 361302047 /nfs/dbraw/zinc/30/20/47/361302047.db2.gz QBLFOEHWSCBZKC-UHFFFAOYSA-N -1 0 285.307 2.250 50 0 CEAARM Cc1nc2c(nc(-c3ccc(O)cc3)cc2C(=O)[O-])[nH]1 ZINC000011694729 361362266 /nfs/dbraw/zinc/36/22/66/361362266.db2.gz LESUHCVVGMSBNS-UHFFFAOYSA-N -1 0 269.260 2.337 50 0 CEAARM Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013170372 361422269 /nfs/dbraw/zinc/42/22/69/361422269.db2.gz FJLNQZUVLMNZHZ-LBPRGKRZSA-N -1 0 261.321 2.240 50 0 CEAARM Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170801 361422275 /nfs/dbraw/zinc/42/22/75/361422275.db2.gz WMNQLTCDXJHFIA-STQMWFEESA-N -1 0 291.347 2.086 50 0 CEAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000013451050 361427273 /nfs/dbraw/zinc/42/72/73/361427273.db2.gz ODKXFUWROYBWKC-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC000013091795 361417881 /nfs/dbraw/zinc/41/78/81/361417881.db2.gz DNAIUNZSXDXPET-UHFFFAOYSA-N -1 0 273.263 2.454 50 0 CEAARM C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013091922 361417937 /nfs/dbraw/zinc/41/79/37/361417937.db2.gz CULYHJSRVBCZJB-GFCCVEGCSA-N -1 0 299.326 2.469 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1ccc(Br)c(C)c1 ZINC000017011098 361502358 /nfs/dbraw/zinc/50/23/58/361502358.db2.gz GRRNLSYOKPJLIA-UHFFFAOYSA-N -1 0 296.124 2.345 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000017007766 361502415 /nfs/dbraw/zinc/50/24/15/361502415.db2.gz XOBCXGZURCXRPK-UHFFFAOYSA-N -1 0 277.349 2.203 50 0 CEAARM CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000020265844 361582248 /nfs/dbraw/zinc/58/22/48/361582248.db2.gz JLEDGVLJMBKJGY-UHFFFAOYSA-N -1 0 290.363 2.080 50 0 CEAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)c(Cl)c1 ZINC000021951504 361586971 /nfs/dbraw/zinc/58/69/71/361586971.db2.gz BEQCUNOZQUWDBX-MRVPVSSYSA-N -1 0 253.685 2.086 50 0 CEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000022842941 361587843 /nfs/dbraw/zinc/58/78/43/361587843.db2.gz YJDPCVGQFUNIGZ-UHFFFAOYSA-N -1 0 297.355 2.285 50 0 CEAARM O=C([O-])[C@@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000025757517 361631095 /nfs/dbraw/zinc/63/10/95/361631095.db2.gz ONUIVMPUJMCSLI-AWEZNQCLSA-N -1 0 258.273 2.384 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000089381776 304107604 /nfs/dbraw/zinc/10/76/04/304107604.db2.gz VTBUPFPBYWYTQE-GHMZBOCLSA-N -1 0 287.315 2.174 50 0 CEAARM Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])o1 ZINC000029010643 361680182 /nfs/dbraw/zinc/68/01/82/361680182.db2.gz DXVPQXJRTOFNRA-UTUOFQBUSA-N -1 0 277.320 2.432 50 0 CEAARM Cc1ccc(-n2[n-]c(C(=O)N3CCCCCC3)cc2=O)cc1 ZINC000089642636 363987564 /nfs/dbraw/zinc/98/75/64/363987564.db2.gz CLLHAPXZXQHBBR-UHFFFAOYSA-N -1 0 299.374 2.490 50 0 CEAARM [O-]c1cc(Cl)cnc1I ZINC000090495205 364058764 /nfs/dbraw/zinc/05/87/64/364058764.db2.gz YSXDMQDFLOQJNJ-UHFFFAOYSA-N -1 0 255.442 2.045 50 0 CEAARM COc1cccc([C@@H](C)CC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000237301933 370708634 /nfs/dbraw/zinc/70/86/34/370708634.db2.gz XKDAFOSPVQHIIP-FZMZJTMJSA-N -1 0 291.347 2.264 50 0 CEAARM CSCc1cc(C(=O)N(CC(=O)[O-])C2CC2)ccc1F ZINC000237379577 370716279 /nfs/dbraw/zinc/71/62/79/370716279.db2.gz LXAONIRIIWMBCH-UHFFFAOYSA-N -1 0 297.351 2.378 50 0 CEAARM O=C([O-])C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000237952500 370763199 /nfs/dbraw/zinc/76/31/99/370763199.db2.gz FLUAXZVROLPBHA-ZJUUUORDSA-N -1 0 279.723 2.177 50 0 CEAARM C[C@H]1C[C@H]1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237638567 370740679 /nfs/dbraw/zinc/74/06/79/370740679.db2.gz KCQWYDACXVOHOL-GXSJLCMTSA-N -1 0 297.301 2.424 50 0 CEAARM Cc1cc(F)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000237650107 370741217 /nfs/dbraw/zinc/74/12/17/370741217.db2.gz FXITVMXIZPNCIT-AWEZNQCLSA-N -1 0 283.274 2.210 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccnc2ccccc12 ZINC000238076738 370769681 /nfs/dbraw/zinc/76/96/81/370769681.db2.gz KYYXQQARFLNRQY-MVGZEHJDSA-N -1 0 296.326 2.324 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1SCCc2ccccc21)C1CC1 ZINC000238082290 370770056 /nfs/dbraw/zinc/77/00/56/370770056.db2.gz GCNOYUFCHNRUOD-AWEZNQCLSA-N -1 0 291.372 2.093 50 0 CEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(F)c(C)c2)n1 ZINC000097114367 364456973 /nfs/dbraw/zinc/45/69/73/364456973.db2.gz OJXIIHMOVYMYCS-UHFFFAOYSA-N -1 0 295.339 2.342 50 0 CEAARM CC1(C)[C@@H]2CN(C(=O)c3cccc(C(=O)[O-])c3)C[C@@H]21 ZINC000097230104 364482282 /nfs/dbraw/zinc/48/22/82/364482282.db2.gz BVAZCSBFKXJSTQ-TXEJJXNPSA-N -1 0 259.305 2.113 50 0 CEAARM O=c1c2c([n-]n1-c1nc3ccccc3[nH]1)CCCC2 ZINC000100134624 364540058 /nfs/dbraw/zinc/54/00/58/364540058.db2.gz QJICXFFAJZYBEJ-UHFFFAOYSA-N -1 0 254.293 2.333 50 0 CEAARM Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000103502497 364661873 /nfs/dbraw/zinc/66/18/73/364661873.db2.gz IOYRBZZAAUBPKP-YXVBKTCISA-N -1 0 259.305 2.084 50 0 CEAARM Cc1noc(C)c1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000106744207 364706843 /nfs/dbraw/zinc/70/68/43/364706843.db2.gz BZIOBVSIAGISLS-WOPDTQHZSA-N -1 0 292.335 2.149 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000269203435 304122324 /nfs/dbraw/zinc/12/23/24/304122324.db2.gz SGPJOOBJHKHFAK-BBBLOLIVSA-N -1 0 295.285 2.001 50 0 CEAARM COCC1(CNC(=O)c2cccc(C(=O)[O-])c2)CCCC1 ZINC000244874994 370802316 /nfs/dbraw/zinc/80/23/16/370802316.db2.gz XKUNFEJMTWQIGD-UHFFFAOYSA-N -1 0 291.347 2.321 50 0 CEAARM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C1(C(=O)[O-])CC1 ZINC000119000721 365198651 /nfs/dbraw/zinc/19/86/51/365198651.db2.gz TYKKFKNJNSTBCZ-CMPLNLGQSA-N -1 0 291.322 2.395 50 0 CEAARM O=C([O-])[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 ZINC000062133136 304123242 /nfs/dbraw/zinc/12/32/42/304123242.db2.gz JBQVIFVLERADRW-SSDOTTSWSA-N -1 0 260.215 2.011 50 0 CEAARM O=C([O-])CCCN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000172087172 367671305 /nfs/dbraw/zinc/67/13/05/367671305.db2.gz YWASYUSBDRKBSY-CYBMUJFWSA-N -1 0 267.300 2.064 50 0 CEAARM CCO[C@@H]1C[C@](NC(=O)c2ccsc2)(C(=O)[O-])C1(C)C ZINC000193033724 369885710 /nfs/dbraw/zinc/88/57/10/369885710.db2.gz CNDOQWOCFAMLSA-YGRLFVJLSA-N -1 0 297.376 2.136 50 0 CEAARM CN(CCCc1ccccc1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000195551314 370141109 /nfs/dbraw/zinc/14/11/09/370141109.db2.gz LSONUGSGPXHHCV-UHFFFAOYSA-N -1 0 298.342 2.485 50 0 CEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000218666093 370211221 /nfs/dbraw/zinc/21/12/21/370211221.db2.gz UXWAENUOCBLSRA-WOPDTQHZSA-N -1 0 277.320 2.446 50 0 CEAARM COC[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccccn1 ZINC000223645639 370268836 /nfs/dbraw/zinc/26/88/36/370268836.db2.gz IZAQLXGMYKMNEK-CYBMUJFWSA-N -1 0 290.294 2.044 50 0 CEAARM O=C(NCc1n[n-]c(=S)o1)c1c(F)cccc1Cl ZINC000225389829 370291329 /nfs/dbraw/zinc/29/13/29/370291329.db2.gz GQJXNUUJCCRKHS-UHFFFAOYSA-N -1 0 287.703 2.081 50 0 CEAARM Cc1cccc(C(C)(C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000225458716 370296589 /nfs/dbraw/zinc/29/65/89/370296589.db2.gz BRDMSZRSPNGQDA-RYUDHWBXSA-N -1 0 261.321 2.067 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000225456466 370296828 /nfs/dbraw/zinc/29/68/28/370296828.db2.gz WMQJALVVVUONBL-VIFPVBQESA-N -1 0 290.294 2.244 50 0 CEAARM C/C(=C/C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(F)cc1F ZINC000236631063 370598573 /nfs/dbraw/zinc/59/85/73/370598573.db2.gz KCEZJLRGWFOALU-MBACFSSFSA-N -1 0 295.285 2.301 50 0 CEAARM CC(C)(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(F)cc1 ZINC000236695028 370610379 /nfs/dbraw/zinc/61/03/79/370610379.db2.gz AEQIVFRDIAMCOY-INIZCTEOSA-N -1 0 293.338 2.427 50 0 CEAARM Cc1cc(F)cc2[nH]c(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc21 ZINC000236709025 370612920 /nfs/dbraw/zinc/61/29/20/370612920.db2.gz JFKUCVYXEHYSNN-CYBMUJFWSA-N -1 0 292.310 2.454 50 0 CEAARM O=C([O-])[C@@H]1CCN1Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000252500773 371448915 /nfs/dbraw/zinc/44/89/15/371448915.db2.gz TVFGCLZEVLLKBI-ZDUSSCGKSA-N -1 0 291.738 2.185 50 0 CEAARM C[C@H]1C[C@H](NCc2ccc(C(=O)[O-])cc2)c2nccn21 ZINC000263388782 371936175 /nfs/dbraw/zinc/93/61/75/371936175.db2.gz DSLMZBYTARASAL-GWCFXTLKSA-N -1 0 271.320 2.377 50 0 CEAARM C[C@@H]1CC[C@H](C)N(C(=O)c2cc(C(=O)[O-])ccn2)C1 ZINC000263444309 371937592 /nfs/dbraw/zinc/93/75/92/371937592.db2.gz YBVLLQOWOKSIGI-ZJUUUORDSA-N -1 0 262.309 2.040 50 0 CEAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237349089 189873522 /nfs/dbraw/zinc/87/35/22/189873522.db2.gz REFVWXLJCSCOTK-FZMZJTMJSA-N -1 0 293.338 2.470 50 0 CEAARM Cc1ncoc1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000262897295 371920621 /nfs/dbraw/zinc/92/06/21/371920621.db2.gz ZQHDOBJPAUZVAJ-SECBINFHSA-N -1 0 288.303 2.499 50 0 CEAARM COc1ccc([C@H](C)CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268947105 372297985 /nfs/dbraw/zinc/29/79/85/372297985.db2.gz NNMXLIAHBPJDRU-DDTOSNHZSA-N -1 0 291.347 2.026 50 0 CEAARM C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237575861 189882552 /nfs/dbraw/zinc/88/25/52/189882552.db2.gz ZRIZPIZZLDOWPY-STQMWFEESA-N -1 0 291.347 2.025 50 0 CEAARM O=C([O-])c1c(Cl)cnc(Br)c1F ZINC000091301484 304217195 /nfs/dbraw/zinc/21/71/95/304217195.db2.gz QRVYYWFRDLOAQR-UHFFFAOYSA-N -1 0 254.442 2.335 50 0 CEAARM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCCC(=O)[O-])cc1 ZINC000299750812 379127064 /nfs/dbraw/zinc/12/70/64/379127064.db2.gz OMUHYUPFRQLHDX-DZGCQCFKSA-N -1 0 291.347 2.054 50 0 CEAARM COc1cc(Br)c(CCC(=O)[O-])cc1OC ZINC000000151930 169555851 /nfs/dbraw/zinc/55/58/51/169555851.db2.gz SJTJBIRPIITRRT-UHFFFAOYSA-N -1 0 289.125 2.484 50 0 CEAARM O=C([O-])c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000040848561 304255056 /nfs/dbraw/zinc/25/50/56/304255056.db2.gz ZTOAUVQUTVRHBJ-UHFFFAOYSA-N -1 0 258.155 2.454 50 0 CEAARM O=C([O-])c1cccc(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 ZINC000097022395 304256860 /nfs/dbraw/zinc/25/68/60/304256860.db2.gz KWJIBWRYQFPGRF-ZIAGYGMSSA-N -1 0 271.316 2.423 50 0 CEAARM O=c1[n-]c(=S)c2c(n1-c1ccc3c(c1)OCO3)CCC2 ZINC000008737571 285195259 /nfs/dbraw/zinc/19/52/59/285195259.db2.gz SOEJJBHONCKLEK-UHFFFAOYSA-N -1 0 288.328 2.112 50 0 CEAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100344752 304269729 /nfs/dbraw/zinc/26/97/29/304269729.db2.gz HTGCHRIHXMCPFD-AOOOYVTPSA-N -1 0 273.288 2.064 50 0 CEAARM CC(C)[C@@H](NC(=O)/C=C/c1cccc2cccnc12)C(=O)[O-] ZINC000096413667 256890305 /nfs/dbraw/zinc/89/03/05/256890305.db2.gz DBKXYKLRNRHFGP-XVJNWHFHSA-N -1 0 298.342 2.473 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000000873484 169681751 /nfs/dbraw/zinc/68/17/51/169681751.db2.gz QTVUCSZTIMFWJS-SNVBAGLBSA-N -1 0 267.712 2.277 50 0 CEAARM Cc1scc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1C ZINC000262977159 131277705 /nfs/dbraw/zinc/27/77/05/131277705.db2.gz PANXDHTYSCEIMO-SNVBAGLBSA-N -1 0 267.350 2.444 50 0 CEAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263469009 131294408 /nfs/dbraw/zinc/29/44/08/131294408.db2.gz ROAPOCRVJKBZAD-PSLIRLAXSA-N -1 0 294.351 2.251 50 0 CEAARM Cc1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cnn1C ZINC000017022622 394466434 /nfs/dbraw/zinc/46/64/34/394466434.db2.gz WWRRDDDDGJEAFR-VXGBXAGGSA-N -1 0 291.351 2.114 50 0 CEAARM CC(C)c1ccccc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614882 394473002 /nfs/dbraw/zinc/47/30/02/394473002.db2.gz BAQPQGCMDPGLLI-UHFFFAOYSA-N -1 0 287.319 2.494 50 0 CEAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000041684751 394501440 /nfs/dbraw/zinc/50/14/40/394501440.db2.gz SVWMGEKWCHMGOV-SNVBAGLBSA-N -1 0 277.320 2.024 50 0 CEAARM CC(C)c1nc(/C=C\c2ccnn2C)ncc1C(=O)[O-] ZINC000255767812 394590222 /nfs/dbraw/zinc/59/02/22/394590222.db2.gz GKLQQIDPRZFZJE-PLNGDYQASA-N -1 0 272.308 2.202 50 0 CEAARM CC(=O)N(C)[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000095883299 394674669 /nfs/dbraw/zinc/67/46/69/394674669.db2.gz DNDPWFMOXVRLDA-JTQLQIEISA-N -1 0 259.664 2.083 50 0 CEAARM COc1ccccc1/C=C\C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000096295742 394678987 /nfs/dbraw/zinc/67/89/87/394678987.db2.gz INFWFBNUILNYEJ-XPSMFNQNSA-N -1 0 289.331 2.174 50 0 CEAARM Cc1ncc(C(=O)NCCc2cccc(C(=O)[O-])c2)s1 ZINC000180247363 395201444 /nfs/dbraw/zinc/20/14/44/395201444.db2.gz WYJNNJAYFYKOIE-UHFFFAOYSA-N -1 0 290.344 2.122 50 0 CEAARM C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000004018810 296665528 /nfs/dbraw/zinc/66/55/28/296665528.db2.gz WOFONWUCBAKESQ-JIMOISOXSA-N -1 0 287.315 2.310 50 0 CEAARM CC(C)n1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000262186318 153924403 /nfs/dbraw/zinc/92/44/03/153924403.db2.gz HGNMXSNZQCWIRK-GFCCVEGCSA-N -1 0 293.367 2.324 50 0 CEAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CCC2CCC2)C1 ZINC000263063149 154013280 /nfs/dbraw/zinc/01/32/80/154013280.db2.gz QUBDKUZEDMYLCM-GFCCVEGCSA-N -1 0 293.285 2.432 50 0 CEAARM CCCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000003356902 169882330 /nfs/dbraw/zinc/88/23/30/169882330.db2.gz UCVWCZARJPACAT-DZGCQCFKSA-N -1 0 291.347 2.470 50 0 CEAARM CO[C@@](F)(C(=O)Nc1ccccc1C(=O)[O-])C(F)(F)F ZINC000004141938 169937562 /nfs/dbraw/zinc/93/75/62/169937562.db2.gz LTORXYJKJWPURZ-JTQLQIEISA-N -1 0 295.188 2.198 50 0 CEAARM Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004688106 169998491 /nfs/dbraw/zinc/99/84/91/169998491.db2.gz FRXDVHOBFPBWJX-UHFFFAOYSA-N -1 0 256.261 2.219 50 0 CEAARM Cc1n[n-]c(SCC(=O)c2ccc(Cl)cc2)nc1=O ZINC000005045241 170060286 /nfs/dbraw/zinc/06/02/86/170060286.db2.gz MTTAICNUQCRPFT-UHFFFAOYSA-N -1 0 295.751 2.102 50 0 CEAARM CCCCCN1C=C([O-])c2ccccc2S1(=O)=O ZINC000005274913 170081993 /nfs/dbraw/zinc/08/19/93/170081993.db2.gz WESMEZGLQZAEEM-UHFFFAOYSA-N -1 0 267.350 2.064 50 0 CEAARM COc1ccc(-c2nc(SCCC(=O)[O-])n[nH]2)cc1 ZINC000006009112 170168082 /nfs/dbraw/zinc/16/80/82/170168082.db2.gz GAGKCGLUCKKGQW-UHFFFAOYSA-N -1 0 279.321 2.047 50 0 CEAARM CCOC(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC000006265607 170186692 /nfs/dbraw/zinc/18/66/92/170186692.db2.gz BQUATHGXTCBDKR-UHFFFAOYSA-N -1 0 251.669 2.358 50 0 CEAARM O=S(=O)([O-])c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000006489924 170206123 /nfs/dbraw/zinc/20/61/23/170206123.db2.gz YCOWPNNXNAKMLP-UHFFFAOYSA-N -1 0 274.301 2.477 50 0 CEAARM CC[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000006703697 170230658 /nfs/dbraw/zinc/23/06/58/170230658.db2.gz OHPNNFKJNWAKTO-VIFPVBQESA-N -1 0 251.282 2.135 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1F ZINC000006706927 170231016 /nfs/dbraw/zinc/23/10/16/170231016.db2.gz CGTREEDBEWDTLW-UHFFFAOYSA-N -1 0 266.297 2.330 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)no1 ZINC000006706484 170231092 /nfs/dbraw/zinc/23/10/92/170231092.db2.gz NHTGEBNMZOHVTC-UHFFFAOYSA-N -1 0 266.322 2.401 50 0 CEAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(O)c1 ZINC000006847297 170248540 /nfs/dbraw/zinc/24/85/40/170248540.db2.gz YEYKYJQUJZVTMM-GHMZBOCLSA-N -1 0 275.304 2.306 50 0 CEAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(O)c1 ZINC000006847293 170248627 /nfs/dbraw/zinc/24/86/27/170248627.db2.gz YEYKYJQUJZVTMM-MNOVXSKESA-N -1 0 275.304 2.306 50 0 CEAARM C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000006931853 170256377 /nfs/dbraw/zinc/25/63/77/170256377.db2.gz NIFREHYMGDEFNO-ZCFIWIBFSA-N -1 0 292.213 2.180 50 0 CEAARM COc1ccc(Cc2nnc(SCCC(=O)[O-])o2)cc1 ZINC000008362734 170333394 /nfs/dbraw/zinc/33/33/94/170333394.db2.gz QGXPYAVAAIUSKW-UHFFFAOYSA-N -1 0 294.332 2.236 50 0 CEAARM C[C@H](C(=O)[O-])n1c2ccccc2n(Cc2ccccc2)c1=O ZINC000008391939 170334587 /nfs/dbraw/zinc/33/45/87/170334587.db2.gz IVXAWLABKVFSKL-GFCCVEGCSA-N -1 0 296.326 2.497 50 0 CEAARM O=C([O-])c1ccc(Cn2cnc3cccnc32)cc1 ZINC000008608094 170342648 /nfs/dbraw/zinc/34/26/48/170342648.db2.gz XJYNXNJYHIUZAN-UHFFFAOYSA-N -1 0 253.261 2.178 50 0 CEAARM CSc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000008686320 170345540 /nfs/dbraw/zinc/34/55/40/170345540.db2.gz PGWRARNCEONNLD-UHFFFAOYSA-N -1 0 258.306 2.219 50 0 CEAARM COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000008700678 170346814 /nfs/dbraw/zinc/34/68/14/170346814.db2.gz KRHZKJYHTQGZGS-NSHDSACASA-N -1 0 281.308 2.346 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)CCOc2ccccc2)cc1 ZINC000013092093 170531254 /nfs/dbraw/zinc/53/12/54/170531254.db2.gz VMIVHGMSQYHIHH-UHFFFAOYSA-N -1 0 299.326 2.470 50 0 CEAARM C[C@@H](NC(=O)COc1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000013318906 170543433 /nfs/dbraw/zinc/54/34/33/170543433.db2.gz JWPSMQOKBJNRBW-MRVPVSSYSA-N -1 0 297.738 2.332 50 0 CEAARM Cc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@H]2CC(=O)[O-] ZINC000015085591 170657485 /nfs/dbraw/zinc/65/74/85/170657485.db2.gz OGBMEGYUKUNYJH-LLVKDONJSA-N -1 0 285.303 2.135 50 0 CEAARM C[C@@](NC(=O)OCc1ccccc1)(C(=O)[O-])C(F)(F)F ZINC000016158533 170688874 /nfs/dbraw/zinc/68/88/74/170688874.db2.gz RYJHDHKGSWTBEV-LLVKDONJSA-N -1 0 291.225 2.318 50 0 CEAARM Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(Cl)c1 ZINC000021927624 171337796 /nfs/dbraw/zinc/33/77/96/171337796.db2.gz JMRZQIVWOAGEPR-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cn1C ZINC000021940709 171337859 /nfs/dbraw/zinc/33/78/59/171337859.db2.gz CKFCMRDWKBNIEW-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CC(C)(C)OC(=O)NCCc1ccc(CC(=O)[O-])cc1 ZINC000022014028 171349395 /nfs/dbraw/zinc/34/93/95/171349395.db2.gz GTKJXERAGOFHHB-UHFFFAOYSA-N -1 0 279.336 2.381 50 0 CEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022073373 171352266 /nfs/dbraw/zinc/35/22/66/171352266.db2.gz KLPWOBJXXJKDFF-UHFFFAOYSA-N -1 0 295.657 2.220 50 0 CEAARM Cc1ccc(-c2nc(C[N-]C(=O)C(F)(F)F)no2)cc1 ZINC000035556978 172262505 /nfs/dbraw/zinc/26/25/05/172262505.db2.gz LOUWHFWTSHLAQY-UHFFFAOYSA-N -1 0 285.225 2.224 50 0 CEAARM CCC(=O)Nc1cccc(NC(=O)CCC(=O)[O-])c1C ZINC000036566144 172640154 /nfs/dbraw/zinc/64/01/54/172640154.db2.gz LPDBYCLZSOJRMS-UHFFFAOYSA-N -1 0 278.308 2.147 50 0 CEAARM O=C([O-])c1cccc2c1ccn2CC(=O)NC1CCCC1 ZINC000037245047 173059354 /nfs/dbraw/zinc/05/93/54/173059354.db2.gz WAWQIIKUPRDHJU-UHFFFAOYSA-N -1 0 286.331 2.398 50 0 CEAARM O=C([O-])C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000037433203 173203567 /nfs/dbraw/zinc/20/35/67/173203567.db2.gz DEFVTVQXGDYDPJ-UHFFFAOYSA-N -1 0 291.322 2.181 50 0 CEAARM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000037435024 173205366 /nfs/dbraw/zinc/20/53/66/173205366.db2.gz MLMIUDWQKYSEHY-DMIISJBSSA-N -1 0 289.331 2.492 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)sc1C ZINC000037435946 173206834 /nfs/dbraw/zinc/20/68/34/173206834.db2.gz KHVDFRSHZZGZNM-SNVBAGLBSA-N -1 0 267.350 2.302 50 0 CEAARM O=C([O-])C1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000037561331 173271875 /nfs/dbraw/zinc/27/18/75/173271875.db2.gz GUFXITOARJEGFU-VOMCLLRMSA-N -1 0 251.326 2.102 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000038016720 173990805 /nfs/dbraw/zinc/99/08/05/173990805.db2.gz JTLYCQAYOUDXML-ZFWWWQNUSA-N -1 0 291.347 2.087 50 0 CEAARM O=C([O-])Cn1c(Br)nc(Cl)c1Cl ZINC000040162838 174196723 /nfs/dbraw/zinc/19/67/23/174196723.db2.gz YAKIREHIYMFEBW-UHFFFAOYSA-N -1 0 273.901 2.037 50 0 CEAARM O=C([O-])CCCCCN1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000040605793 174353241 /nfs/dbraw/zinc/35/32/41/174353241.db2.gz CTWWFGNKTINVQG-ZDUSSCGKSA-N -1 0 289.331 2.174 50 0 CEAARM CCc1sc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1C ZINC000043510531 175060262 /nfs/dbraw/zinc/06/02/62/175060262.db2.gz CRENAPUZHCJVQG-CYBMUJFWSA-N -1 0 299.417 2.309 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000043589669 175073609 /nfs/dbraw/zinc/07/36/09/175073609.db2.gz QORDEUKPZJAMAJ-CHWSQXEVSA-N -1 0 265.353 2.446 50 0 CEAARM Cc1cc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)c(C)o1 ZINC000044731812 175240729 /nfs/dbraw/zinc/24/07/29/175240729.db2.gz KSQSWHLYSJAEQP-SECBINFHSA-N -1 0 288.303 2.481 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1ccccc1Cl ZINC000045922895 175387037 /nfs/dbraw/zinc/38/70/37/175387037.db2.gz LTOQLQOUOKOQAU-ZWNOBZJWSA-N -1 0 279.723 2.477 50 0 CEAARM Cc1c(C(=O)[O-])nnn1Cc1cccc(C(F)(F)F)c1 ZINC000050215186 175512264 /nfs/dbraw/zinc/51/22/64/175512264.db2.gz IRUOFBLTMRMLQR-UHFFFAOYSA-N -1 0 285.225 2.352 50 0 CEAARM CC(C)[C@@H](NC(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000061411378 175644727 /nfs/dbraw/zinc/64/47/27/175644727.db2.gz OKIOCJBFSMBHQT-CYBMUJFWSA-N -1 0 272.304 2.074 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C2CCC2)[C@@H]2CCCC[C@H]12 ZINC000659195497 415441834 /nfs/dbraw/zinc/44/18/34/415441834.db2.gz PRLPKXGCTLYKRC-JHJVBQTASA-N -1 0 265.353 2.278 50 0 CEAARM CN(C(=O)CC1=CCCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659227230 415461649 /nfs/dbraw/zinc/46/16/49/415461649.db2.gz BIBZOPXSRKFGTF-TXEJJXNPSA-N -1 0 251.326 2.199 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000070531432 175974073 /nfs/dbraw/zinc/97/40/73/175974073.db2.gz CVZGXVNHDKXTAL-CYBMUJFWSA-N -1 0 283.283 2.248 50 0 CEAARM CCC(=O)Nc1cccc([C@@H]2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000072193702 176337301 /nfs/dbraw/zinc/33/73/01/176337301.db2.gz ZTZFSUWOLAYZPS-PWSUYJOCSA-N -1 0 275.304 2.182 50 0 CEAARM CNc1cc(-c2ccc(C(=O)[O-])cn2)c2cc[nH]c2n1 ZINC000072430986 176402657 /nfs/dbraw/zinc/40/26/57/176402657.db2.gz MLUNMTFOOABDOB-UHFFFAOYSA-N -1 0 268.276 2.365 50 0 CEAARM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076327999 176991100 /nfs/dbraw/zinc/99/11/00/176991100.db2.gz NLJQBRKXFLNUNN-ZCFIWIBFSA-N -1 0 261.199 2.365 50 0 CEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(C)cc1 ZINC000000098962 278075290 /nfs/dbraw/zinc/07/52/90/278075290.db2.gz JIFJBRTVYQXRPG-NWDGAFQWSA-N -1 0 265.334 2.042 50 0 CEAARM CC(=O)NC1=C(C(=O)[O-])[C@H](C(C)C)Cc2ccccc21 ZINC000000517590 278086719 /nfs/dbraw/zinc/08/67/19/278086719.db2.gz HRUHVJYBEVXJEG-ZDUSSCGKSA-N -1 0 273.332 2.447 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](C)(C(=O)[O-])C1 ZINC000095742834 278381982 /nfs/dbraw/zinc/38/19/82/278381982.db2.gz XRCPEJWXGRIHBL-LLVKDONJSA-N -1 0 279.283 2.353 50 0 CEAARM CC(C)=CCC[C@@]1(C)OC(=O)N(CCC(=O)[O-])[C@@]1(C)O ZINC000001238579 278661865 /nfs/dbraw/zinc/66/18/65/278661865.db2.gz OEMDMQKKQJDYFM-KGLIPLIRSA-N -1 0 285.340 2.127 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NC2CCCC2)[C@H](C(=O)[O-])C1 ZINC000004651448 281664041 /nfs/dbraw/zinc/66/40/41/281664041.db2.gz HDYHOIBFUFLCSP-QWHCGFSZSA-N -1 0 265.353 2.492 50 0 CEAARM CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000100149580 281686323 /nfs/dbraw/zinc/68/63/23/281686323.db2.gz CMEDBZOQPCCFKM-CHWSQXEVSA-N -1 0 285.299 2.231 50 0 CEAARM CCc1c(C(=O)[O-])nnn1-c1cccc(Cl)c1C ZINC000019813406 288511787 /nfs/dbraw/zinc/51/17/87/288511787.db2.gz TYOAHDNPTOOFDS-UHFFFAOYSA-N -1 0 265.700 2.490 50 0 CEAARM COc1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000008991987 295050760 /nfs/dbraw/zinc/05/07/60/295050760.db2.gz XQULNVNTLFTFIL-UHFFFAOYSA-N -1 0 258.199 2.193 50 0 CEAARM COc1ccc(=NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)[n-]n1 ZINC000330265307 295072734 /nfs/dbraw/zinc/07/27/34/295072734.db2.gz 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/nfs/dbraw/zinc/00/31/69/302003169.db2.gz FLXBWGNEEOKPCJ-MNOVXSKESA-N -1 0 262.309 2.220 50 0 CEAARM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1C1CC1)Cc1ccccc1 ZINC000299741262 330144012 /nfs/dbraw/zinc/14/40/12/330144012.db2.gz DEURKVTZYQPLFA-KKUMJFAQSA-N -1 0 287.359 2.092 50 0 CEAARM CC(C)(C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000136120916 500593692 /nfs/dbraw/zinc/59/36/92/500593692.db2.gz GMRYRFVIDGPKJO-SNVBAGLBSA-N -1 0 281.377 2.349 50 0 CEAARM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1ccc(F)cc1 ZINC000097017731 533766014 /nfs/dbraw/zinc/76/60/14/533766014.db2.gz YMMMVQKNFGNNIO-VIFPVBQESA-N -1 0 288.278 2.410 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(F)cc1 ZINC000097017475 534502666 /nfs/dbraw/zinc/50/26/66/534502666.db2.gz KMLABNPVSDGDIU-GFCCVEGCSA-N -1 0 276.267 2.100 50 0 CEAARM Cc1csc(-c2cc(C(=O)[O-])cc(-n3cnnn3)c2)c1 ZINC000299756955 570330065 /nfs/dbraw/zinc/33/00/65/570330065.db2.gz IZQDUGRSTSCQJZ-UHFFFAOYSA-N -1 0 286.316 2.397 50 0 CEAARM 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C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)NCC1CCCCC1 ZINC000685943159 539306606 /nfs/dbraw/zinc/30/66/06/539306606.db2.gz FGDAWZHITUBYNN-TZMCWYRMSA-N -1 0 296.411 2.011 50 0 CEAARM C[C@H](Cc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000097231292 344243860 /nfs/dbraw/zinc/24/38/60/344243860.db2.gz FTYRTDGOMFIBEN-BDJLRTHQSA-N -1 0 275.348 2.235 50 0 CEAARM CCC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1ccccc1 ZINC000170599442 344485956 /nfs/dbraw/zinc/48/59/56/344485956.db2.gz FICYWQCAFWGEMU-RYUDHWBXSA-N -1 0 283.393 2.425 50 0 CEAARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000195574087 344522634 /nfs/dbraw/zinc/52/26/34/344522634.db2.gz PCLBBDWCYJMFPV-GWCFXTLKSA-N -1 0 289.356 2.301 50 0 CEAARM CC(C)(C(=O)[O-])C1CCN(C(=O)C[C@H]2CCCCO2)CC1 ZINC000585134512 345006659 /nfs/dbraw/zinc/00/66/59/345006659.db2.gz XGIICXWHVBFMOB-CYBMUJFWSA-N -1 0 297.395 2.295 50 0 CEAARM CCOc1ccc(Oc2nccnc2C(=O)[O-])cc1 ZINC000054552798 362537512 /nfs/dbraw/zinc/53/75/12/362537512.db2.gz 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/nfs/dbraw/zinc/47/40/53/347474053.db2.gz JMDHKYDNGVKTLT-ARJAWSKDSA-N -1 0 298.277 2.371 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)CCc1cc(F)ccc1F)C1CC1 ZINC000089598257 179827393 /nfs/dbraw/zinc/82/73/93/179827393.db2.gz AESACYVBAUYWMG-SECBINFHSA-N -1 0 297.301 2.362 50 0 CEAARM O=C([O-])[C@]1(F)CCCN(C(=O)OCc2ccccc2)C1 ZINC000090635816 180017313 /nfs/dbraw/zinc/01/73/13/180017313.db2.gz VNPUCPQSPVPDPC-AWEZNQCLSA-N -1 0 281.283 2.212 50 0 CEAARM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(C)o1 ZINC000091364856 180142276 /nfs/dbraw/zinc/14/22/76/180142276.db2.gz MSGQLKCMAWXUCP-QWHCGFSZSA-N -1 0 277.320 2.079 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)C[C@H]1C1CC1 ZINC000091441693 180156993 /nfs/dbraw/zinc/15/69/93/180156993.db2.gz ASOCOQCNZQLQAO-JKSUJKDBSA-N -1 0 299.370 2.358 50 0 CEAARM COc1ccccc1CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108654478 186225091 /nfs/dbraw/zinc/22/50/91/186225091.db2.gz NQSAGQSLOAZVME-RYUDHWBXSA-N -1 0 291.347 2.202 50 0 CEAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000070272283 363066205 /nfs/dbraw/zinc/06/62/05/363066205.db2.gz WUWOUZOTTGCOPK-JQWIXIFHSA-N -1 0 267.712 2.334 50 0 CEAARM COC(C)(C)C(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC000630258597 351672384 /nfs/dbraw/zinc/67/23/84/351672384.db2.gz PVGGAZRTXIHRSO-MRVPVSSYSA-N -1 0 299.298 2.041 50 0 CEAARM COCCn1cc(-c2cc(C(=O)[O-])ccc2C)cn1 ZINC000630575114 351790290 /nfs/dbraw/zinc/79/02/90/351790290.db2.gz LMMIFANVHSZPSH-UHFFFAOYSA-N -1 0 260.293 2.203 50 0 CEAARM Cc1[nH]cnc1-c1nccn1[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000071775890 363113747 /nfs/dbraw/zinc/11/37/47/363113747.db2.gz HADSHKFZUFWJHP-ZDUSSCGKSA-N -1 0 296.330 2.450 50 0 CEAARM C[C@](NC(=O)C1CC(F)(F)C1)(C(=O)[O-])c1ccccc1 ZINC000383380435 540174625 /nfs/dbraw/zinc/17/46/25/540174625.db2.gz LYFWZWXFFRHWNG-CYBMUJFWSA-N -1 0 283.274 2.148 50 0 CEAARM Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](C(=O)[O-])C=C[C@H]3C)cc1 ZINC000137348582 366541050 /nfs/dbraw/zinc/54/10/50/366541050.db2.gz KZKOJZDVUQSVKE-YXCITZCRSA-N -1 0 299.326 2.007 50 0 CEAARM Cc1nccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000139266176 366555989 /nfs/dbraw/zinc/55/59/89/366555989.db2.gz OKZBUNSGTNPIFM-ZDUSSCGKSA-N -1 0 299.330 2.121 50 0 CEAARM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCS2)cc1 ZINC000150324294 366592010 /nfs/dbraw/zinc/59/20/10/366592010.db2.gz ZXDQRIBQDAXNMK-NSHDSACASA-N -1 0 265.334 2.010 50 0 CEAARM CC[C@@H](NC(=O)c1cccn1Cc1cccs1)C(=O)[O-] ZINC000178193694 189096731 /nfs/dbraw/zinc/09/67/31/189096731.db2.gz XMUAQKCJYKUXSZ-LLVKDONJSA-N -1 0 292.360 2.191 50 0 CEAARM CCOC[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000236970841 370670117 /nfs/dbraw/zinc/67/01/17/370670117.db2.gz JUYMEFHIELWJIE-GFCCVEGCSA-N -1 0 291.347 2.274 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc3c2CCCC3)C1 ZINC000019271495 304097887 /nfs/dbraw/zinc/09/78/87/304097887.db2.gz NRJQIBDQYZAXBK-LLVKDONJSA-N -1 0 259.305 2.003 50 0 CEAARM C[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299750789 200856876 /nfs/dbraw/zinc/85/68/76/200856876.db2.gz OKFIDSPGXXZNDH-FBIMIBRVSA-N -1 0 297.301 2.123 50 0 CEAARM CC(C)(C)c1cc(C(=O)[O-])c(CN2CCOCC2)o1 ZINC000000035033 361118804 /nfs/dbraw/zinc/11/88/04/361118804.db2.gz UVKNRTGVGOFJAN-UHFFFAOYSA-N -1 0 267.325 2.108 50 0 CEAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1)N1C(=O)CCC1=O ZINC000000117021 361131412 /nfs/dbraw/zinc/13/14/12/361131412.db2.gz CXIWTSMKQUFYIR-JTQLQIEISA-N -1 0 281.695 2.005 50 0 CEAARM O=C([O-])c1cc(Cl)cn(Cc2ccccc2)c1=O ZINC000000170169 361139811 /nfs/dbraw/zinc/13/98/11/361139811.db2.gz HPIOWOMSNUANFN-UHFFFAOYSA-N -1 0 263.680 2.248 50 0 CEAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)NC1CCCCC1 ZINC000000186095 361142783 /nfs/dbraw/zinc/14/27/83/361142783.db2.gz JMFCXNLMXWYMQM-UHFFFAOYSA-N -1 0 296.392 2.316 50 0 CEAARM CCCc1nc2ccccc2n1C(=O)CCC(=O)[O-] ZINC000000319660 361161849 /nfs/dbraw/zinc/16/18/49/361161849.db2.gz MLJSPQQAQKHQTP-UHFFFAOYSA-N -1 0 260.293 2.494 50 0 CEAARM Cc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1Cl ZINC000000266694 361154314 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361224542 /nfs/dbraw/zinc/22/45/42/361224542.db2.gz IGDWBRIEQMVEJM-BQYQJAHWSA-N -1 0 263.293 2.445 50 0 CEAARM CCCCCOc1ccccc1C(=O)NCCC(=O)[O-] ZINC000002275647 361231928 /nfs/dbraw/zinc/23/19/28/361231928.db2.gz NPYTWQLSJBLFEF-UHFFFAOYSA-N -1 0 279.336 2.460 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000002379468 361233407 /nfs/dbraw/zinc/23/34/07/361233407.db2.gz IEQBOUSLFRLKKX-SNVBAGLBSA-N -1 0 269.272 2.476 50 0 CEAARM O=Cc1cc(Cl)cc(Br)c1OCC(=O)[O-] ZINC000002526688 361237783 /nfs/dbraw/zinc/23/77/83/361237783.db2.gz YBVLVKIVYCMFOO-UHFFFAOYSA-N -1 0 293.500 2.378 50 0 CEAARM CCCc1c(C(=O)OCC)[n-]c(C=O)c1C(=O)OCC ZINC000002518808 361237798 /nfs/dbraw/zinc/23/77/98/361237798.db2.gz RUJFOGCOHQYSKT-UHFFFAOYSA-N -1 0 281.308 2.133 50 0 CEAARM O=C([O-])CSc1nnc2sc3ccccc3n12 ZINC000002573539 361241462 /nfs/dbraw/zinc/24/14/62/361241462.db2.gz TWHOAMHKGIWPPK-UHFFFAOYSA-N -1 0 265.319 2.121 50 0 CEAARM [NH3+][C@H](c1ccc(-c2ccccc2)cc1)P(=O)([O-])[O-] ZINC000002659688 361245311 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O=C([O-])[C@@H]1CS[C@H](c2c[nH]nc2-c2ccc(F)cc2)N1 ZINC000019737372 361550636 /nfs/dbraw/zinc/55/06/36/361550636.db2.gz ZBMFNZYBCQOJMY-CMPLNLGQSA-N -1 0 293.323 2.004 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000019807175 361556629 /nfs/dbraw/zinc/55/66/29/361556629.db2.gz AWQNRQYNISBOPP-GFCCVEGCSA-N -1 0 281.739 2.348 50 0 CEAARM O=C([O-])Cn1c2ccccc2nc1-c1cccnc1 ZINC000026421482 361639621 /nfs/dbraw/zinc/63/96/21/361639621.db2.gz XTUVSFMJGJWORJ-UHFFFAOYSA-N -1 0 253.261 2.183 50 0 CEAARM COc1ccc2cc([C@H](C)C(=O)NCC(=O)[O-])ccc2c1 ZINC000028251995 361671139 /nfs/dbraw/zinc/67/11/39/361671139.db2.gz WHXDZYJGZCXWCX-JTQLQIEISA-N -1 0 287.315 2.153 50 0 CEAARM Cc1ccc(NC(=O)/C=C\C(=O)[O-])c(Br)c1 ZINC000031854433 361721338 /nfs/dbraw/zinc/72/13/38/361721338.db2.gz PCYBUNMDTUSBNX-PLNGDYQASA-N -1 0 284.109 2.337 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000085006650 363829204 /nfs/dbraw/zinc/82/92/04/363829204.db2.gz DEHMZYGMZLWARX-NEPJUHHUSA-N -1 0 263.293 2.166 50 0 CEAARM Cc1cc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)nn1C ZINC000089645398 363987419 /nfs/dbraw/zinc/98/74/19/363987419.db2.gz WVQWJAIKXWERCJ-LLVKDONJSA-N -1 0 293.392 2.274 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000037410281 304112963 /nfs/dbraw/zinc/11/29/63/304112963.db2.gz XCMDMTZPYQOCFP-JTQLQIEISA-N -1 0 289.665 2.307 50 0 CEAARM COc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cc1F ZINC000237346863 370713862 /nfs/dbraw/zinc/71/38/62/370713862.db2.gz IIUHRTKIFUZONR-SECBINFHSA-N -1 0 295.310 2.160 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000237641870 370740923 /nfs/dbraw/zinc/74/09/23/370740923.db2.gz MPZYQANBKDQCEZ-MRXNPFEDSA-N -1 0 287.359 2.333 50 0 CEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000238175385 370773233 /nfs/dbraw/zinc/77/32/33/370773233.db2.gz FDFBFKWCPKHXEI-VHSXEESVSA-N -1 0 267.712 2.034 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)[C@H]2C[C@H]2C2CC2)c1 ZINC000238217269 370773912 /nfs/dbraw/zinc/77/39/12/370773912.db2.gz 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CCO[C@@H]1C[C@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000246809939 371014170 /nfs/dbraw/zinc/01/41/70/371014170.db2.gz JJWUKYPIYIREGO-MGPQQGTHSA-N -1 0 291.347 2.134 50 0 CEAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000247426983 371106957 /nfs/dbraw/zinc/10/69/57/371106957.db2.gz STJKIRXHQHUNJJ-LSJOCFKGSA-N -1 0 299.248 2.251 50 0 CEAARM Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000251154830 371397355 /nfs/dbraw/zinc/39/73/55/371397355.db2.gz NDGWDOWYMVWUKT-INTQDDNPSA-N -1 0 265.284 2.032 50 0 CEAARM C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252445970 371439144 /nfs/dbraw/zinc/43/91/44/371439144.db2.gz JTMMSJFQLRZDTA-PPKCKEKNSA-N -1 0 283.274 2.205 50 0 CEAARM CC1(C)Cc2cc(CN3CC[C@@H]3C(=O)[O-])ccc2O1 ZINC000252508470 371450649 /nfs/dbraw/zinc/45/06/49/371450649.db2.gz XNTQNTPMBWFFSN-GFCCVEGCSA-N -1 0 261.321 2.059 50 0 CEAARM CN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237230158 189869915 /nfs/dbraw/zinc/86/99/15/189869915.db2.gz JNQPLVCASVIHKQ-MRZGDXHCSA-N -1 0 289.331 2.035 50 0 CEAARM CCc1nnc(C)cc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000262329900 371852122 /nfs/dbraw/zinc/85/21/22/371852122.db2.gz SHDSUORRPVRXGO-UHFFFAOYSA-N -1 0 299.330 2.079 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000263114359 371928826 /nfs/dbraw/zinc/92/88/26/371928826.db2.gz BXDPUVZBYGWYRZ-MJBXVCDLSA-N -1 0 291.322 2.395 50 0 CEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@]1(C)CC1(F)F ZINC000263127510 371929930 /nfs/dbraw/zinc/92/99/30/371929930.db2.gz FRZSSMRLGYNEQJ-CYBMUJFWSA-N -1 0 283.274 2.389 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2cccc(F)c2F)C1 ZINC000237524458 189880367 /nfs/dbraw/zinc/88/03/67/189880367.db2.gz BVOONXUYVRBYQJ-OAHLLOKOSA-N -1 0 297.301 2.221 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC000269216516 372382134 /nfs/dbraw/zinc/38/21/34/372382134.db2.gz YFAQAHXMHKCBTF-UONOGXRCSA-N -1 0 287.359 2.430 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000003682858 304181101 /nfs/dbraw/zinc/18/11/01/304181101.db2.gz KYLPETYBULKPEF-RYUDHWBXSA-N -1 0 253.342 2.280 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000249379258 189960770 /nfs/dbraw/zinc/96/07/70/189960770.db2.gz OKHWIZZHUHPPJO-KGYLQXTDSA-N -1 0 261.321 2.365 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000156972199 304183780 /nfs/dbraw/zinc/18/37/80/304183780.db2.gz OZTVWOAQEHGHFW-QMMMGPOBSA-N -1 0 285.702 2.416 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1SCCc2sccc21 ZINC000238074910 304185715 /nfs/dbraw/zinc/18/57/15/304185715.db2.gz HACLOTFEMSMMON-KOLCDFICSA-N -1 0 297.401 2.154 50 0 CEAARM Cc1cc(Br)ccc1C[S@@](=O)CC(=O)[O-] ZINC000380282612 375161887 /nfs/dbraw/zinc/16/18/87/375161887.db2.gz ZGVSBGWRIXXFKH-OAHLLOKOSA-N -1 0 291.166 2.091 50 0 CEAARM CC(C)[C@@H]1C[C@@H](N=c2[n-]nc(C(F)F)o2)CCO1 ZINC000330345071 377094992 /nfs/dbraw/zinc/09/49/92/377094992.db2.gz DSAMEVQKGJYOKP-YUMQZZPRSA-N -1 0 261.272 2.045 50 0 CEAARM CCN(Cc1cccc(OC)c1)C(=O)NCCCC(=O)[O-] ZINC000426647370 377427115 /nfs/dbraw/zinc/42/71/15/377427115.db2.gz UKOFXIDLDMNQKQ-UHFFFAOYSA-N -1 0 294.351 2.092 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2cc(Cl)cs2)C1 ZINC000299740637 379125598 /nfs/dbraw/zinc/12/55/98/379125598.db2.gz AVVDAUBRZPEBGH-MRVPVSSYSA-N -1 0 287.768 2.267 50 0 CEAARM CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299747310 379126479 /nfs/dbraw/zinc/12/64/79/379126479.db2.gz CONMMDYWMUSDQQ-UWVGGRQHSA-N -1 0 285.702 2.158 50 0 CEAARM O=C([O-])c1ccc(C(=O)NCc2cccc3c2OCO3)cc1 ZINC000299747464 379127041 /nfs/dbraw/zinc/12/70/41/379127041.db2.gz DCBVVTMMAKVIBR-UHFFFAOYSA-N -1 0 299.282 2.044 50 0 CEAARM O=C([O-])c1cnc2c(Br)cc(F)cc2c1O ZINC000033596714 304218474 /nfs/dbraw/zinc/21/84/74/304218474.db2.gz LVUZMPYPFCZPIL-UHFFFAOYSA-N -1 0 286.056 2.128 50 0 CEAARM CCc1nc(=NC[C@@H]2CCc3cccnc32)s[n-]1 ZINC000521398449 379529076 /nfs/dbraw/zinc/52/90/76/379529076.db2.gz HLQNJLSUHNPPCS-JTQLQIEISA-N -1 0 260.366 2.059 50 0 CEAARM CCN(CC)C(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000249972 169587239 /nfs/dbraw/zinc/58/72/39/169587239.db2.gz FRNYPAJLMPCHQD-YGRLFVJLSA-N -1 0 255.358 2.382 50 0 CEAARM O=C([O-])CCCC(=O)Nc1ccc(Br)cn1 ZINC000000239834 169583708 /nfs/dbraw/zinc/58/37/08/169583708.db2.gz OZNDTAVITINDOV-UHFFFAOYSA-N -1 0 287.113 2.038 50 0 CEAARM Nc1nc(SCC(=O)[O-])nc2sc3c(c21)CCCC3 ZINC000000356734 169616267 /nfs/dbraw/zinc/61/62/67/169616267.db2.gz ZFXDDNGONAAPPZ-UHFFFAOYSA-N -1 0 295.389 2.329 50 0 CEAARM CCOC(=O)COc1cc(C(=O)[O-])c(O)c2ccccc12 ZINC000000402550 169631685 /nfs/dbraw/zinc/63/16/85/169631685.db2.gz JWAJPJVUIOBOOM-UHFFFAOYSA-N -1 0 290.271 2.186 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cn1 ZINC000238037972 304238955 /nfs/dbraw/zinc/23/89/55/304238955.db2.gz CQNYESGIUXXMOW-LBPRGKRZSA-N -1 0 298.298 2.033 50 0 CEAARM C[C@](NC(=O)c1cccc2c1CCC2)(C(=O)[O-])C1CC1 ZINC000192894389 542353022 /nfs/dbraw/zinc/35/30/22/542353022.db2.gz WYNSCERLJQALDW-MRXNPFEDSA-N -1 0 273.332 2.158 50 0 CEAARM O=C([O-])c1ccc(I)cc1F ZINC000002243114 304245751 /nfs/dbraw/zinc/24/57/51/304245751.db2.gz OLQSJAFBRCOGPQ-UHFFFAOYSA-N -1 0 266.009 2.129 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000000289040 304250372 /nfs/dbraw/zinc/25/03/72/304250372.db2.gz PKXDNBNSQBZKFO-UHFFFAOYSA-N -1 0 262.286 2.218 50 0 CEAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000000285217 304251985 /nfs/dbraw/zinc/25/19/85/304251985.db2.gz LJQKDUGNSCMZSJ-UHFFFAOYSA-N -1 0 267.240 2.185 50 0 CEAARM COc1ccc(-c2nn3c([n-]2)nc(C)c(Cl)c3=O)cc1 ZINC000100249510 533194529 /nfs/dbraw/zinc/19/45/29/533194529.db2.gz VDNXOZWAROUURV-UHFFFAOYSA-N -1 0 290.710 2.055 50 0 CEAARM CCc1nc(=N[C@H](CO)c2csc(C(C)C)n2)s[n-]1 ZINC000521398583 256847164 /nfs/dbraw/zinc/84/71/64/256847164.db2.gz RQZDIFPNQZBIOW-MRVPVSSYSA-N -1 0 298.437 2.248 50 0 CEAARM CCc1nc(=N[C@@H](CO)c2csc(C(C)C)n2)s[n-]1 ZINC000521398584 256847277 /nfs/dbraw/zinc/84/72/77/256847277.db2.gz RQZDIFPNQZBIOW-QMMMGPOBSA-N -1 0 298.437 2.248 50 0 CEAARM Cc1cccc2c1CCN2C(=O)c1ccc(C(=O)[O-])nc1 ZINC000237734090 256850264 /nfs/dbraw/zinc/85/02/64/256850264.db2.gz KHPANGICLRDMGY-UHFFFAOYSA-N -1 0 282.299 2.291 50 0 CEAARM COc1ccc([C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000095424058 184978128 /nfs/dbraw/zinc/97/81/28/184978128.db2.gz RKNZJYWSEGPGRO-NSHDSACASA-N -1 0 291.347 2.122 50 0 CEAARM C[C@@H](CN(C)C(=O)CCCOc1cccc(F)c1)C(=O)[O-] ZINC000095425212 184978976 /nfs/dbraw/zinc/97/89/76/184978976.db2.gz OPNCVHPWHWCRBS-NSHDSACASA-N -1 0 297.326 2.164 50 0 CEAARM O=c1c(Br)c(-c2ccccc2)nc2[n-]cnn21 ZINC000012376871 285379578 /nfs/dbraw/zinc/37/95/78/285379578.db2.gz SBZFPQHXCNGGCW-UHFFFAOYSA-N -1 0 291.108 2.259 50 0 CEAARM CC(=O)Nc1cccc2c1CCCN2CCCC(=O)[O-] ZINC000262212835 131202000 /nfs/dbraw/zinc/20/20/00/131202000.db2.gz JGTXSBSBMSURTB-UHFFFAOYSA-N -1 0 276.336 2.262 50 0 CEAARM Cc1c2ccccc2oc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262413250 131219533 /nfs/dbraw/zinc/21/95/33/131219533.db2.gz ONSJCLBNKVTZFG-MNOVXSKESA-N -1 0 273.288 2.078 50 0 CEAARM Cc1c2ccccc2oc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262413254 131219685 /nfs/dbraw/zinc/21/96/85/131219685.db2.gz ONSJCLBNKVTZFG-WDEREUQCSA-N -1 0 273.288 2.078 50 0 CEAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCO1 ZINC000262572355 131235241 /nfs/dbraw/zinc/23/52/41/131235241.db2.gz CWCOBIAAYULWHG-ZDUSSCGKSA-N -1 0 293.319 2.290 50 0 CEAARM O=C([O-])c1cccc(NC(=O)CC[C@@H]2CCOC2)c1 ZINC000263095195 131281949 /nfs/dbraw/zinc/28/19/49/131281949.db2.gz IGOUZZQBAKREGW-SNVBAGLBSA-N -1 0 263.293 2.140 50 0 CEAARM COc1cc(C(=O)[O-])cc(Br)c1OC ZINC000000163325 394448399 /nfs/dbraw/zinc/44/83/99/394448399.db2.gz ZODURELBYVOPGP-UHFFFAOYSA-N -1 0 261.071 2.165 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000000280290 394449232 /nfs/dbraw/zinc/44/92/32/394449232.db2.gz GYUQJDSKNBDITI-STQMWFEESA-N -1 0 273.332 2.467 50 0 CEAARM CC[C@H]1c2cccn2CCN1C(=O)c1cccc2n[nH]nc21 ZINC000225481480 394469278 /nfs/dbraw/zinc/46/92/78/394469278.db2.gz SRZKFJKCYDGBCD-ZDUSSCGKSA-N -1 0 295.346 2.367 50 0 CEAARM CNC(=O)c1cnc(/C=C\c2ccc(C(=O)[O-])cc2)s1 ZINC000096401006 394681211 /nfs/dbraw/zinc/68/12/11/394681211.db2.gz PYBBSKKDEYQDGH-DAXSKMNVSA-N -1 0 288.328 2.371 50 0 CEAARM CCn1nncc1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000572943055 395595132 /nfs/dbraw/zinc/59/51/32/395595132.db2.gz CYCJBEYVFGAGRE-WAYWQWQTSA-N -1 0 287.323 2.080 50 0 CEAARM CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000003111268 400104095 /nfs/dbraw/zinc/10/40/95/400104095.db2.gz WLWQYSFAQFCNQM-QWHCGFSZSA-N -1 0 285.299 2.231 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000213914768 400304542 /nfs/dbraw/zinc/30/45/42/400304542.db2.gz HTAWNLNBUOTGLY-IDTUSYRASA-N -1 0 277.295 2.162 50 0 CEAARM C[C@@]1(C(=O)[O-])Cc2ccc(Br)cc2C(=O)O1 ZINC000012274241 297883875 /nfs/dbraw/zinc/88/38/75/297883875.db2.gz HADYBUOGLZAULR-NSHDSACASA-N -1 0 285.093 2.005 50 0 CEAARM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262060219 296762224 /nfs/dbraw/zinc/76/22/24/296762224.db2.gz CZVNEBQDESLAEF-MPNPMHGUSA-N -1 0 291.322 2.286 50 0 CEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1C ZINC000014000573 292517553 /nfs/dbraw/zinc/51/75/53/292517553.db2.gz GMKGGDSCSFXAOA-HIFRSBDPSA-N -1 0 291.347 2.006 50 0 CEAARM CC(C)CCOCC(=O)Oc1ccccc1C(=O)[O-] ZINC000002310708 169785155 /nfs/dbraw/zinc/78/51/55/169785155.db2.gz RFLLIKHPLFTVJT-UHFFFAOYSA-N -1 0 266.293 2.353 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000002928197 169844823 /nfs/dbraw/zinc/84/48/23/169844823.db2.gz YJJUMPIUKSOAKS-UHFFFAOYSA-N -1 0 279.365 2.444 50 0 CEAARM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000003260433 169873232 /nfs/dbraw/zinc/87/32/32/169873232.db2.gz USOAJBIMCUIRFH-UHFFFAOYSA-N -1 0 291.328 2.210 50 0 CEAARM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[O-])c1 ZINC000003844745 169915142 /nfs/dbraw/zinc/91/51/42/169915142.db2.gz AVMLTYCBTPRIJO-UHFFFAOYSA-N -1 0 277.301 2.186 50 0 CEAARM COc1ccc(C(=O)[O-])c(Br)c1OC(C)=O ZINC000004831061 170025773 /nfs/dbraw/zinc/02/57/73/170025773.db2.gz KVNXOENALWIFSS-UHFFFAOYSA-N -1 0 289.081 2.081 50 0 CEAARM C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000005177667 170074162 /nfs/dbraw/zinc/07/41/62/170074162.db2.gz NIFREHYMGDEFNO-LURJTMIESA-N -1 0 292.213 2.180 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000005254311 170080020 /nfs/dbraw/zinc/08/00/20/170080020.db2.gz RDMXPNRKFPNQAJ-KCJUWKMLSA-N -1 0 268.288 2.447 50 0 CEAARM CC(=O)N[C@@H](CSc1ccc(Cl)cc1)C(=O)[O-] ZINC000005438601 170098992 /nfs/dbraw/zinc/09/89/92/170098992.db2.gz NYIHHVVSWNGRAJ-JTQLQIEISA-N -1 0 273.741 2.021 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1ccccc1F ZINC000006698634 170227845 /nfs/dbraw/zinc/22/78/45/170227845.db2.gz UQUJKRFYRXFSHJ-VXGBXAGGSA-N -1 0 279.311 2.333 50 0 CEAARM Cc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000006706424 170230746 /nfs/dbraw/zinc/23/07/46/170230746.db2.gz UDSSZJOGBJHNKZ-UHFFFAOYSA-N -1 0 284.287 2.469 50 0 CEAARM C[C@H](Oc1ccc(Br)cc1C=O)C(=O)[O-] ZINC000006850640 170248941 /nfs/dbraw/zinc/24/89/41/170248941.db2.gz RWXQZBNVNBRZCH-LURJTMIESA-N -1 0 273.082 2.114 50 0 CEAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000007505240 170287533 /nfs/dbraw/zinc/28/75/33/170287533.db2.gz AAGOMXBHTZSXIP-UHFFFAOYSA-N -1 0 294.332 2.295 50 0 CEAARM Cc1cc(=O)[nH]c(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000008700766 170346843 /nfs/dbraw/zinc/34/68/43/170346843.db2.gz PUCLDVOIXVHDFG-LLVKDONJSA-N -1 0 276.317 2.409 50 0 CEAARM CCC(=O)C[C@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000008743559 170353578 /nfs/dbraw/zinc/35/35/78/170353578.db2.gz UWWXMMISIIBHBQ-LLVKDONJSA-N -1 0 288.303 2.166 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000008912288 170358841 /nfs/dbraw/zinc/35/88/41/170358841.db2.gz HPAKCFAOSIGBHE-AWEZNQCLSA-N -1 0 267.284 2.343 50 0 CEAARM O=C([O-])c1cc2c([nH]c1=O)C[C@H](c1cccs1)CC2=O ZINC000008992601 170360927 /nfs/dbraw/zinc/36/09/27/170360927.db2.gz XXRSTNYEZLKPOJ-ZETCQYMHSA-N -1 0 289.312 2.047 50 0 CEAARM O=C([O-])CCCC(=O)NCc1ccccc1Cl ZINC000009259522 170369508 /nfs/dbraw/zinc/36/95/08/170369508.db2.gz WSRZWWVHZMLUGL-UHFFFAOYSA-N -1 0 255.701 2.211 50 0 CEAARM CC[C@H](C(=O)[O-])n1nc(C(F)(F)F)c2c1CCC2 ZINC000012394733 170484315 /nfs/dbraw/zinc/48/43/15/170484315.db2.gz XQVVJBMGDGMJQN-SSDOTTSWSA-N -1 0 262.231 2.426 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1cccs1 ZINC000012983336 170525674 /nfs/dbraw/zinc/52/56/74/170525674.db2.gz CESLJOSWMCFILE-WDEREUQCSA-N -1 0 265.334 2.031 50 0 CEAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000014000579 170615193 /nfs/dbraw/zinc/61/51/93/170615193.db2.gz YRCZONGBUJPEGY-SKDRFNHKSA-N -1 0 267.712 2.334 50 0 CEAARM Cc1cccc(C)c1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000020213497 171075265 /nfs/dbraw/zinc/07/52/65/171075265.db2.gz GESWHCMUTGKRMP-UHFFFAOYSA-N -1 0 294.332 2.131 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC000020258941 171114139 /nfs/dbraw/zinc/11/41/39/171114139.db2.gz RCFIIDDPBKWDMZ-ZETCQYMHSA-N -1 0 257.673 2.012 50 0 CEAARM Cc1nc(-c2ccccc2F)sc1C(=O)NCC(=O)[O-] ZINC000020721035 171270319 /nfs/dbraw/zinc/27/03/19/171270319.db2.gz LVPQBZLQWBMKKD-UHFFFAOYSA-N -1 0 294.307 2.072 50 0 CEAARM Cc1occc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000021955701 171341438 /nfs/dbraw/zinc/34/14/38/171341438.db2.gz DAHZZFARBRJIFG-CYBMUJFWSA-N -1 0 273.288 2.014 50 0 CEAARM O=C([O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000034402226 171838846 /nfs/dbraw/zinc/83/88/46/171838846.db2.gz WLBNVHKERLQFBI-UHFFFAOYSA-N -1 0 276.313 2.359 50 0 CEAARM C[C@](NC(=O)c1ccc2c(c1)CCC2)(C(=O)[O-])C1CC1 ZINC000037366167 173155564 /nfs/dbraw/zinc/15/55/64/173155564.db2.gz SJAHMKNJBAGQSM-MRXNPFEDSA-N -1 0 273.332 2.158 50 0 CEAARM CCOc1ccccc1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037435215 173205865 /nfs/dbraw/zinc/20/58/65/173205865.db2.gz JCPDAKYHCPRYGQ-ZDUSSCGKSA-N -1 0 291.347 2.094 50 0 CEAARM O=C([O-])CCNC(=O)CCn1ccc2ccc(Cl)cc21 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CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263042512 522878875 /nfs/dbraw/zinc/87/88/75/522878875.db2.gz DDMDOVCKCCUFGS-KBPBESRZSA-N -1 0 291.347 2.228 50 0 CEAARM Cc1ccccc1OCc1nnc(SCC(=O)[O-])o1 ZINC000000421956 534830093 /nfs/dbraw/zinc/83/00/93/534830093.db2.gz CBQYQOOBUVKLHD-UHFFFAOYSA-N -1 0 280.305 2.134 50 0 CEAARM Cc1ccccc1CCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000051966950 525102648 /nfs/dbraw/zinc/10/26/48/525102648.db2.gz YCOONLJUNYGPQF-CYBMUJFWSA-N -1 0 261.321 2.003 50 0 CEAARM CC(C)(NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)C(=O)[O-] ZINC000096479934 527283458 /nfs/dbraw/zinc/28/34/58/527283458.db2.gz FEFCDMWVSKSQIQ-IUCAKERBSA-N -1 0 283.274 2.048 50 0 CEAARM C=CCN(CC(=O)[O-])C(=O)c1ccc(Cl)s1 ZINC000086137956 538737610 /nfs/dbraw/zinc/73/76/10/538737610.db2.gz DKAIOKIMAKHVOO-UHFFFAOYSA-N -1 0 259.714 2.114 50 0 CEAARM C/C(=C/C(=O)Nc1ccn(CC(=O)[O-])n1)c1ccccc1 ZINC000122800519 599734204 /nfs/dbraw/zinc/73/42/04/599734204.db2.gz AEYXIMUZKBWZCM-LUAWRHEFSA-N -1 0 285.303 2.010 50 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2.262 50 0 CEAARM Cc1ccc(F)c(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000052980866 362477443 /nfs/dbraw/zinc/47/74/43/362477443.db2.gz WVBVVMDGPRISOB-UHFFFAOYSA-N -1 0 265.284 2.261 50 0 CEAARM Cc1ccc2nc(N3C[C@H](C(=O)[O-])CC3=O)sc2c1 ZINC000585122818 345006032 /nfs/dbraw/zinc/00/60/32/345006032.db2.gz ZXMADVMTLAQNPN-MRVPVSSYSA-N -1 0 276.317 2.042 50 0 CEAARM CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000669435631 539447235 /nfs/dbraw/zinc/44/72/35/539447235.db2.gz MKIZKJNRQDBURP-PWSUYJOCSA-N -1 0 277.320 2.017 50 0 CEAARM CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n[nH]1 ZINC000083820335 539475709 /nfs/dbraw/zinc/47/57/09/539475709.db2.gz YNJAYOHPSGVHSO-UHFFFAOYSA-N -1 0 291.376 2.262 50 0 CEAARM C[C@]1(C(=O)[N-]O[C@H]2CCCCO2)CC1(Cl)Cl ZINC000058377055 362625802 /nfs/dbraw/zinc/62/58/02/362625802.db2.gz PBQOPVGRSYAELR-IONNQARKSA-N -1 0 268.140 2.145 50 0 CEAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(Br)cc1 ZINC000057980284 362603759 /nfs/dbraw/zinc/60/37/59/362603759.db2.gz 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Cc1oc(CNC(=O)C[C@H]2C=CCC2)cc1C(=O)[O-] ZINC000299738364 538793233 /nfs/dbraw/zinc/79/32/33/538793233.db2.gz GRQCEZSTHBFNKI-JTQLQIEISA-N -1 0 263.293 2.259 50 0 CEAARM CCc1n[n-]c(=NCc2cccc(OC3CC3)c2F)o1 ZINC000585091689 540344520 /nfs/dbraw/zinc/34/45/20/540344520.db2.gz TVVIYDHQDKOPFM-UHFFFAOYSA-N -1 0 277.299 2.346 50 0 CEAARM O=C([O-])[C@@H]1CC12CCN(C(=O)[C@@H]1Cc3ccccc31)CC2 ZINC000262153279 540400699 /nfs/dbraw/zinc/40/06/99/540400699.db2.gz OTKPGOIUKWBLPF-KGLIPLIRSA-N -1 0 285.343 2.040 50 0 CEAARM Cc1ccccc1C1(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000136102315 366495588 /nfs/dbraw/zinc/49/55/88/366495588.db2.gz XXNLGFCPHVOELT-UHFFFAOYSA-N -1 0 287.359 2.350 50 0 CEAARM C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136166730 366500370 /nfs/dbraw/zinc/50/03/70/366500370.db2.gz QTQRIIYCMZJNNM-GHMZBOCLSA-N -1 0 281.377 2.250 50 0 CEAARM Cc1ccc(C)c(CC(=O)N[C@@H](CC(=O)[O-])C(C)C)c1 ZINC000136219440 366503149 /nfs/dbraw/zinc/50/31/49/366503149.db2.gz XUGKDIOYHDXBEK-AWEZNQCLSA-N -1 0 277.364 2.461 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000236960339 370665544 /nfs/dbraw/zinc/66/55/44/370665544.db2.gz QPJDOYNGWVEDGU-QWRGUYRKSA-N -1 0 283.274 2.001 50 0 CEAARM CC(C)(CNC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000137465623 366543167 /nfs/dbraw/zinc/54/31/67/366543167.db2.gz PELMCMFSWDKNAJ-SNVBAGLBSA-N -1 0 279.361 2.103 50 0 CEAARM Cc1cc(NC(=O)C[C@@H]2CCOC2)ccc1C(=O)[O-] ZINC000341752350 216090683 /nfs/dbraw/zinc/09/06/83/216090683.db2.gz YTHHYXIWDKJVSS-JTQLQIEISA-N -1 0 263.293 2.058 50 0 CEAARM O=C([O-])Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2 ZINC000002697033 304091590 /nfs/dbraw/zinc/09/15/90/304091590.db2.gz UNBALLIXTKPPIS-UHFFFAOYSA-N -1 0 278.267 2.129 50 0 CEAARM O=C([O-])c1cccc(CNC(=O)[C@H]2COc3ccccc32)c1 ZINC000299743282 200853907 /nfs/dbraw/zinc/85/39/07/200853907.db2.gz MWZUVLQVYYHENK-AWEZNQCLSA-N -1 0 297.310 2.177 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000040232 361120609 /nfs/dbraw/zinc/12/06/09/361120609.db2.gz 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/nfs/dbraw/zinc/23/79/09/361237909.db2.gz RWXQZBNVNBRZCH-ZCFIWIBFSA-N -1 0 273.082 2.114 50 0 CEAARM Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000002697209 361244732 /nfs/dbraw/zinc/24/47/32/361244732.db2.gz IYTWELHMTNZIED-UHFFFAOYSA-N -1 0 297.376 2.114 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000003355859 361276122 /nfs/dbraw/zinc/27/61/22/361276122.db2.gz BARCAQQBDOOISH-VOTSOKGWSA-N -1 0 259.305 2.023 50 0 CEAARM Cc1c(OCC(=O)[O-])ccc2c3c(c(=O)oc12)CCC3 ZINC000003882352 361293283 /nfs/dbraw/zinc/29/32/83/361293283.db2.gz HKXCRPJJBYNWHW-UHFFFAOYSA-N -1 0 274.272 2.054 50 0 CEAARM O=C([O-])C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000003883083 361293412 /nfs/dbraw/zinc/29/34/12/361293412.db2.gz NBFRLAFUANZFTR-UHFFFAOYSA-N -1 0 286.331 2.288 50 0 CEAARM Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000003239691 361269653 /nfs/dbraw/zinc/26/96/53/361269653.db2.gz VPMPYAXGUXACTQ-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)[O-] ZINC000004290108 361309363 /nfs/dbraw/zinc/30/93/63/361309363.db2.gz YQTNNCKCADYSOG-LURJTMIESA-N -1 0 274.305 2.071 50 0 CEAARM O=C([O-])CSCC(=O)Nc1cccc2c1CCCC2 ZINC000004371406 361315111 /nfs/dbraw/zinc/31/51/11/361315111.db2.gz CRTVIFRVUYLKOQ-UHFFFAOYSA-N -1 0 279.361 2.322 50 0 CEAARM O=C([O-])/C=C\C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004480490 361318055 /nfs/dbraw/zinc/31/80/55/361318055.db2.gz VPHLVPQYMNKATK-WAYWQWQTSA-N -1 0 275.182 2.165 50 0 CEAARM CC(C)(Oc1ccc(-c2ccncn2)cc1)C(=O)[O-] ZINC000004019011 361297946 /nfs/dbraw/zinc/29/79/46/361297946.db2.gz XGWWHWZNRYWPQI-UHFFFAOYSA-N -1 0 258.277 2.386 50 0 CEAARM O=C([O-])c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000011919915 361368859 /nfs/dbraw/zinc/36/88/59/361368859.db2.gz ADAONUAYXPHZDR-UHFFFAOYSA-N -1 0 266.253 2.233 50 0 CEAARM CCN(C(=O)NCCCC(=O)[O-])c1ccccc1 ZINC000011766745 361365209 /nfs/dbraw/zinc/36/52/09/361365209.db2.gz DWCWUOYTLZQBPF-UHFFFAOYSA-N -1 0 250.298 2.087 50 0 CEAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1 ZINC000011848527 361365864 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CC[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000263570477 287312342 /nfs/dbraw/zinc/31/23/42/287312342.db2.gz IGTHIYGMMHKQOS-HZSPNIEDSA-N -1 0 273.332 2.071 50 0 CEAARM CCn1nc(NC(=O)Cc2ccccc2C(=O)[O-])cc1C ZINC000071284506 176109428 /nfs/dbraw/zinc/10/94/28/176109428.db2.gz SLMAQEDKAGTBKX-UHFFFAOYSA-N -1 0 287.319 2.091 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccn1 ZINC000078470711 177343896 /nfs/dbraw/zinc/34/38/96/177343896.db2.gz ZRKRDAMTYIWTJR-UHFFFAOYSA-N -1 0 266.297 2.330 50 0 CEAARM CC1CCC(NC(=O)C2CC=CC2)(C(=O)[O-])CC1 ZINC000085159667 260201699 /nfs/dbraw/zinc/20/16/99/260201699.db2.gz YYAWGBMKJWKCSO-UHFFFAOYSA-N -1 0 251.326 2.102 50 0 CEAARM COc1cc(Cl)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000043564766 260643039 /nfs/dbraw/zinc/64/30/39/260643039.db2.gz WVBKWVASSARSJT-VIFPVBQESA-N -1 0 297.738 2.285 50 0 CEAARM CC(=O)O[C@H]1CC[C@]2(C)C(=O)CCC[C@H]2[C@@]1(C)C(=O)[O-] ZINC000261491219 278221800 /nfs/dbraw/zinc/22/18/00/278221800.db2.gz LPTSVAWKVWMRAD-UEEZHKSASA-N -1 0 282.336 2.178 50 0 CEAARM CC(C)(C)C(=O)Nc1c[nH]c2nc(C(=O)[O-])cc-2c1 ZINC000071788851 278294463 /nfs/dbraw/zinc/29/44/63/278294463.db2.gz ZNECICNAFDSVOS-UHFFFAOYSA-N -1 0 261.281 2.246 50 0 CEAARM CC(C)[C@@](C)(NC(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000097036342 280111241 /nfs/dbraw/zinc/11/12/41/280111241.db2.gz JVABGXJKJPIQTM-CYBMUJFWSA-N -1 0 289.253 2.333 50 0 CEAARM CC1=C(c2ccccc2F)C(=O)N(C(C)(C)C(=O)[O-])CO1 ZINC000029753636 281667072 /nfs/dbraw/zinc/66/70/72/281667072.db2.gz VCYDHNHROVDGFN-UHFFFAOYSA-N -1 0 293.294 2.236 50 0 CEAARM CCn1c2nc(C)c(Cl)c(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617262 288694266 /nfs/dbraw/zinc/69/42/66/288694266.db2.gz KJWRWJCXECQUIA-UHFFFAOYSA-N -1 0 299.739 2.134 50 0 CEAARM CO[C@@]1(C)CCCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000263565190 294128305 /nfs/dbraw/zinc/12/83/05/294128305.db2.gz FHUYUESYSNUTGT-AWEZNQCLSA-N -1 0 297.376 2.478 50 0 CEAARM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CC=CCC1 ZINC000055254885 295108281 /nfs/dbraw/zinc/10/82/81/295108281.db2.gz 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361243682 /nfs/dbraw/zinc/24/36/82/361243682.db2.gz SGTNTKLYLWGFDE-UHFFFAOYSA-N -1 0 285.365 2.196 50 0 CEAARM O=C([O-])[C@@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000004201435 361305781 /nfs/dbraw/zinc/30/57/81/361305781.db2.gz XDKGCXBDQIMHNQ-ZDUSSCGKSA-N -1 0 273.263 2.381 50 0 CEAARM O=C([O-])c1ccc(COc2cccc(CO)c2)cc1 ZINC000004278467 361309282 /nfs/dbraw/zinc/30/92/82/361309282.db2.gz AJOFOZOEOPKGBT-UHFFFAOYSA-N -1 0 258.273 2.456 50 0 CEAARM O=C([O-])CCCC(=O)NCCc1ccc(Cl)cc1 ZINC000004681695 361327529 /nfs/dbraw/zinc/32/75/29/361327529.db2.gz STRZUXJFGRPPIZ-UHFFFAOYSA-N -1 0 269.728 2.254 50 0 CEAARM [O-]c1c(Br)cc(F)nc1Br ZINC000082163879 363751605 /nfs/dbraw/zinc/75/16/05/363751605.db2.gz BRVVJNAZWKGBBI-UHFFFAOYSA-N -1 0 270.883 2.451 50 0 CEAARM Cc1ccc(Cc2nnc(N3CCCCC3)[n-]c2=O)cc1 ZINC000005154636 361330557 /nfs/dbraw/zinc/33/05/57/361330557.db2.gz DSZPBWPOWPUEHA-UHFFFAOYSA-N -1 0 284.363 2.054 50 0 CEAARM COc1ccc(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)cc1O ZINC000011694732 361361978 /nfs/dbraw/zinc/36/19/78/361361978.db2.gz PUOFQYMXNHSPQM-UHFFFAOYSA-N -1 0 299.286 2.346 50 0 CEAARM O=C([O-])c1nnn(-c2cccc(Cl)c2)c1C1CC1 ZINC000011730703 361362209 /nfs/dbraw/zinc/36/22/09/361362209.db2.gz UZPBVUOPCTUTEQ-UHFFFAOYSA-N -1 0 263.684 2.496 50 0 CEAARM O=C([O-])[C@@H](NC(=O)Cc1cccs1)c1ccccc1 ZINC000011890527 361367512 /nfs/dbraw/zinc/36/75/12/361367512.db2.gz KKODXDYAXMHNAA-ZDUSSCGKSA-N -1 0 275.329 2.233 50 0 CEAARM CSCC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000012898352 361406279 /nfs/dbraw/zinc/40/62/79/361406279.db2.gz DPWVVNUFSDKJMV-NSHDSACASA-N -1 0 292.360 2.104 50 0 CEAARM Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)[O-] ZINC000013055921 361417917 /nfs/dbraw/zinc/41/79/17/361417917.db2.gz YFYYQSMUBUZDLL-UHFFFAOYSA-N -1 0 284.271 2.044 50 0 CEAARM CC(C)Sc1nnc(-c2ccccc2N)c(=O)[n-]1 ZINC000015016479 361464787 /nfs/dbraw/zinc/46/47/87/361464787.db2.gz QUKBTDMZCJEEGQ-UHFFFAOYSA-N -1 0 262.338 2.327 50 0 CEAARM COc1ccc(Nc2ncc(C(=O)[O-])c(C)n2)cc1 ZINC000015423887 361472940 /nfs/dbraw/zinc/47/29/40/361472940.db2.gz FYZSJJHVAJOJND-UHFFFAOYSA-N -1 0 259.265 2.235 50 0 CEAARM Cc1cc2c([n-]c(=S)n(Cc3cnn(C)c3)c2=O)s1 ZINC000017022963 361502147 /nfs/dbraw/zinc/50/21/47/361502147.db2.gz NUQGDZZVUIHLMG-UHFFFAOYSA-N -1 0 292.389 2.211 50 0 CEAARM O=c1cn[n-]c(Nc2cc(Cl)ccc2Cl)n1 ZINC000017058732 361504135 /nfs/dbraw/zinc/50/41/35/361504135.db2.gz NRWXKWLXJRPTQI-UHFFFAOYSA-N -1 0 257.080 2.215 50 0 CEAARM CCSc1nc([O-])cc(=O)n1-c1ccc(OC)cc1 ZINC000017945649 361512846 /nfs/dbraw/zinc/51/28/46/361512846.db2.gz QXEALWROTCQMRO-UHFFFAOYSA-N -1 0 278.333 2.059 50 0 CEAARM O=C([O-])COc1ccccc1C=C1SC(=S)NC1=O ZINC000016713096 361496348 /nfs/dbraw/zinc/49/63/48/361496348.db2.gz NVLJUKAUSGTIHG-UITAMQMPSA-N -1 0 295.341 2.479 50 0 CEAARM CSCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000019515893 361541976 /nfs/dbraw/zinc/54/19/76/361541976.db2.gz XAGVSTMCXVQXBC-SNVBAGLBSA-N -1 0 293.344 2.369 50 0 CEAARM CCc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000019411605 361532297 /nfs/dbraw/zinc/53/22/97/361532297.db2.gz GCOFYRLSUAGHSG-ZDUSSCGKSA-N -1 0 261.321 2.328 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000019981816 361573049 /nfs/dbraw/zinc/57/30/49/361573049.db2.gz KPDQYWXXBXYFHQ-SECBINFHSA-N -1 0 266.272 2.154 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000021968706 361586986 /nfs/dbraw/zinc/58/69/86/361586986.db2.gz FHQYCRYNJLJTGT-GFCCVEGCSA-N -1 0 265.284 2.213 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000022149453 361587032 /nfs/dbraw/zinc/58/70/32/361587032.db2.gz BFAWEESVLAJLFJ-CYBMUJFWSA-N -1 0 261.321 2.383 50 0 CEAARM O=C([O-])[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000026440029 361640417 /nfs/dbraw/zinc/64/04/17/361640417.db2.gz OHLIVDQIGLUMSV-SNVBAGLBSA-N -1 0 286.316 2.271 50 0 CEAARM CCn1nccc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000028249347 361670886 /nfs/dbraw/zinc/67/08/86/361670886.db2.gz XTVJFMVTXPJCPE-UHFFFAOYSA-N -1 0 295.364 2.021 50 0 CEAARM C[C@](NC(=O)c1cccc2cc[nH]c21)(C(=O)[O-])C1CC1 ZINC000088731038 363916304 /nfs/dbraw/zinc/91/63/04/363916304.db2.gz LRYNTBYACGEHKD-OAHLLOKOSA-N -1 0 272.304 2.151 50 0 CEAARM CCC[C@](C)(NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000088832583 363923944 /nfs/dbraw/zinc/92/39/44/363923944.db2.gz FKOUBTRFAOGZLD-VIFPVBQESA-N -1 0 255.236 2.089 50 0 CEAARM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1CC(=O)[O-] ZINC000089941293 364020266 /nfs/dbraw/zinc/02/02/66/364020266.db2.gz GXZNLDBSPJFOJG-JOYOIKCWSA-N -1 0 269.728 2.186 50 0 CEAARM CCCn1cnc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000089960739 364022340 /nfs/dbraw/zinc/02/23/40/364022340.db2.gz YQMYGLUGYMBMBU-UHFFFAOYSA-N -1 0 279.365 2.402 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000237272232 370706874 /nfs/dbraw/zinc/70/68/74/370706874.db2.gz YKHIXPDLNAEJBT-ZYHUDNBSSA-N -1 0 297.301 2.392 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000237655794 370742986 /nfs/dbraw/zinc/74/29/86/370742986.db2.gz IPGNVKPNCPWQGM-MRXNPFEDSA-N -1 0 299.330 2.014 50 0 CEAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000237905347 370758822 /nfs/dbraw/zinc/75/88/22/370758822.db2.gz PQCQZJQZNBHGKH-MXWKQRLJSA-N -1 0 279.361 2.093 50 0 CEAARM O=C([O-])CCN(C(=O)CC1=CCCCC1)C1CCOCC1 ZINC000238061798 370768803 /nfs/dbraw/zinc/76/88/03/370768803.db2.gz PZMYQFDQYQFQQR-UHFFFAOYSA-N -1 0 295.379 2.359 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000238077307 370770024 /nfs/dbraw/zinc/77/00/24/370770024.db2.gz YULBABUJVWJVBV-VFNNOXKTSA-N -1 0 296.326 2.324 50 0 CEAARM Cc1cccc(CC(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000094554318 364277272 /nfs/dbraw/zinc/27/72/72/364277272.db2.gz WHKSOVJNTKYTNZ-UHFFFAOYSA-N -1 0 273.288 2.145 50 0 CEAARM Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)[O-] ZINC000095218341 364341931 /nfs/dbraw/zinc/34/19/31/364341931.db2.gz STCIXWLFZGDZGX-YFKPBYRVSA-N -1 0 250.220 2.250 50 0 CEAARM COCCN(C)[C@@H](C(=O)[O-])c1cc(Cl)ccc1OC ZINC000095382566 364352382 /nfs/dbraw/zinc/35/23/82/364352382.db2.gz PTIUSBVHRVEZNH-GFCCVEGCSA-N -1 0 287.743 2.053 50 0 CEAARM Cc1cccc(O)c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000095464217 364386997 /nfs/dbraw/zinc/38/69/97/364386997.db2.gz AEKUWXPNCGAONF-UHFFFAOYSA-N -1 0 295.364 2.279 50 0 CEAARM Cc1ncsc1CCN(C)[C@@H](C(=O)[O-])c1ccoc1 ZINC000095362622 364346755 /nfs/dbraw/zinc/34/67/55/364346755.db2.gz AUIXDIDYAJASDX-GFCCVEGCSA-N -1 0 280.349 2.345 50 0 CEAARM O=S(=O)(CCC1CC1)[N-]c1cc(-c2cccnc2)[nH]n1 ZINC000097048840 364433526 /nfs/dbraw/zinc/43/35/26/364433526.db2.gz QMANNOPHKCYYKA-UHFFFAOYSA-N -1 0 292.364 2.014 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2C[C@@H]2C2CC2)c1 ZINC000097039240 364428780 /nfs/dbraw/zinc/42/87/80/364428780.db2.gz ODHMEYRPGHTKAI-ZIAGYGMSSA-N -1 0 273.332 2.090 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)C(C)(C)c1cccc(F)c1 ZINC000097039214 364429398 /nfs/dbraw/zinc/42/93/98/364429398.db2.gz CPENKMSNORYCFR-JTQLQIEISA-N -1 0 281.327 2.473 50 0 CEAARM C[C@@H](CN(C(=O)c1ccsc1)C1CC1)C(=O)[O-] ZINC000097231893 364483336 /nfs/dbraw/zinc/48/33/36/364483336.db2.gz NUZBCCHOACVNIF-QMMMGPOBSA-N -1 0 253.323 2.073 50 0 CEAARM COc1ccc2c(c1)CCN(Cc1cccc(C(=O)[O-])n1)C2 ZINC000097730263 364517830 /nfs/dbraw/zinc/51/78/30/364517830.db2.gz SAWGSWJDXMLCPY-UHFFFAOYSA-N -1 0 298.342 2.347 50 0 CEAARM CC1(C)CC(=O)C2=C(C1)[N-]c1ccccc1S2(=O)=O ZINC000101655321 364569893 /nfs/dbraw/zinc/56/98/93/364569893.db2.gz QCNSICTVIDMUEL-CYBMUJFWSA-N -1 0 277.345 2.304 50 0 CEAARM COc1ccc(Cn2[n-]cc(Br)c2=N)cc1 ZINC000103817946 364669361 /nfs/dbraw/zinc/66/93/61/364669361.db2.gz SITMTFRURABJGU-UHFFFAOYSA-N -1 0 282.141 2.115 50 0 CEAARM CC(C)C[C@@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000206213093 189684699 /nfs/dbraw/zinc/68/46/99/189684699.db2.gz UFQHMZVWLNAKFG-CYBMUJFWSA-N -1 0 288.347 2.257 50 0 CEAARM CCc1nn(C)c(Cl)c1C[N@@H+](CC(=O)[O-])CC(C)C ZINC000244882787 370803354 /nfs/dbraw/zinc/80/33/54/370803354.db2.gz XZAGTIZZVZGZDW-UHFFFAOYSA-N -1 0 287.791 2.179 50 0 CEAARM C[C@@H]1C[C@H](C(=O)NC(C)(C)c2nnn[n-]2)CC(C)(C)C1 ZINC000357356159 370812672 /nfs/dbraw/zinc/81/26/72/370812672.db2.gz OEKORNIHSGDDBC-ZJUUUORDSA-N -1 0 279.388 2.013 50 0 CEAARM CCc1ccccc1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000161694762 367105942 /nfs/dbraw/zinc/10/59/42/367105942.db2.gz NWZMJJDXBWAHBW-HNNXBMFYSA-N -1 0 261.321 2.232 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2F)CCC1 ZINC000164867142 367298447 /nfs/dbraw/zinc/29/84/47/367298447.db2.gz PFMQXJYIBBXUBM-UHFFFAOYSA-N -1 0 271.675 2.216 50 0 CEAARM O=C(Nc1ccccc1O)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000170624563 367388610 /nfs/dbraw/zinc/38/86/10/367388610.db2.gz VXPLBWVILVDKHV-UHFFFAOYSA-N -1 0 296.282 2.192 50 0 CEAARM Cc1ccccc1C1(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000178261468 368294608 /nfs/dbraw/zinc/29/46/08/368294608.db2.gz UYWRBHVVSBRSQJ-MRXNPFEDSA-N -1 0 287.359 2.350 50 0 CEAARM O=c1[n-]c(SCCCOCc2ccccc2)n[nH]1 ZINC000194631852 370060041 /nfs/dbraw/zinc/06/00/41/370060041.db2.gz ASYJSRRHTCRDIO-UHFFFAOYSA-N -1 0 265.338 2.209 50 0 CEAARM Cc1nnc([C@H]2CCCN2Cc2ccccc2C(=O)[O-])[nH]1 ZINC000215002002 370171834 /nfs/dbraw/zinc/17/18/34/370171834.db2.gz UTCKBIZZUIAKLS-CYBMUJFWSA-N -1 0 286.335 2.148 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1cc(C(C)(C)C)on1)C(=O)[O-] ZINC000195541693 370138637 /nfs/dbraw/zinc/13/86/37/370138637.db2.gz MJKJVYMVLQIULK-KWQFWETISA-N -1 0 282.340 2.201 50 0 CEAARM CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)[nH]1 ZINC000218326353 370207990 /nfs/dbraw/zinc/20/79/90/370207990.db2.gz ACEUDFZWSZYESW-LLVKDONJSA-N -1 0 266.341 2.196 50 0 CEAARM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000225888760 370325262 /nfs/dbraw/zinc/32/52/62/370325262.db2.gz PVLFHKSFDGPGCB-RKDXNWHRSA-N -1 0 283.349 2.382 50 0 CEAARM CCCCO[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236841216 189848002 /nfs/dbraw/zinc/84/80/02/189848002.db2.gz RTBXCCXBOSQPIO-QWHCGFSZSA-N -1 0 285.384 2.295 50 0 CEAARM CCn1cc(C(C)=NNc2cccc(C(=O)[O-])c2)cn1 ZINC000252474722 371440029 /nfs/dbraw/zinc/44/00/29/371440029.db2.gz KVEYXRDNVGZGEH-UHFFFAOYSA-N -1 0 272.308 2.437 50 0 CEAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1cn(C)nc1C ZINC000252474454 371440492 /nfs/dbraw/zinc/44/04/92/371440492.db2.gz FFMIWLYHFVFEDP-UHFFFAOYSA-N -1 0 272.308 2.263 50 0 CEAARM O=C([O-])[C@H]1CCN1Cc1cccc(OCc2ccccn2)c1 ZINC000252485169 371444032 /nfs/dbraw/zinc/44/40/32/371444032.db2.gz GOONKVNSYKADTJ-MRXNPFEDSA-N -1 0 298.342 2.320 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000238041416 189898059 /nfs/dbraw/zinc/89/80/59/189898059.db2.gz FCTUOSNVZUKRAK-CYBMUJFWSA-N -1 0 279.311 2.224 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1ccccc1 ZINC000022211684 304176919 /nfs/dbraw/zinc/17/69/19/304176919.db2.gz ODMORDYRJUHGED-CYBMUJFWSA-N -1 0 261.321 2.085 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000005685376 304181020 /nfs/dbraw/zinc/18/10/20/304181020.db2.gz YMXKNOSJIYWEQI-GJZGRUSLSA-N -1 0 287.359 2.462 50 0 CEAARM C[C@@H](S[C@@H]1CCc2ccccc2NC1=O)C(=O)[O-] ZINC000013690832 296211777 /nfs/dbraw/zinc/21/17/77/296211777.db2.gz DQLWULMXLZWGCH-LDYMZIIASA-N -1 0 265.334 2.146 50 0 CEAARM CC(C)[C@@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000334161576 206123989 /nfs/dbraw/zinc/12/39/89/206123989.db2.gz DKBSJJNIFRNNDR-CYBMUJFWSA-N -1 0 274.320 2.017 50 0 CEAARM O=C([O-])[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1=O ZINC000011891135 304192252 /nfs/dbraw/zinc/19/22/52/304192252.db2.gz NOEUDKREIFBPGB-VIFPVBQESA-N -1 0 274.103 2.431 50 0 CEAARM CC(C)[C@H]1C[C@@H](N=c2[n-]nc(C(F)F)o2)CCO1 ZINC000330345069 377094865 /nfs/dbraw/zinc/09/48/65/377094865.db2.gz DSAMEVQKGJYOKP-JGVFFNPUSA-N -1 0 261.272 2.045 50 0 CEAARM O=C(C[C@H]1C=CCC1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000331070694 377268519 /nfs/dbraw/zinc/26/85/19/377268519.db2.gz CRKPCCVGAWTUGN-ZETCQYMHSA-N -1 0 259.231 2.145 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2nccs2)C2CC2)C1 ZINC000426383872 377401443 /nfs/dbraw/zinc/40/14/43/377401443.db2.gz POKQGLWEGORYFO-VHSXEESVSA-N -1 0 294.376 2.135 50 0 CEAARM CC(C)(C(=O)NCc1ccc(C(=O)[O-])cc1)n1cccc1 ZINC000426387131 377403375 /nfs/dbraw/zinc/40/33/75/377403375.db2.gz RSRFNHWJYPSPEX-UHFFFAOYSA-N -1 0 286.331 2.238 50 0 CEAARM Cc1cc(=O)c(C(=O)[O-])c(Cc2ccccc2F)n1C ZINC000299788135 379139389 /nfs/dbraw/zinc/13/93/89/379139389.db2.gz VNOSFOJCPWEFOM-UHFFFAOYSA-N -1 0 275.279 2.122 50 0 CEAARM CCS[C@@H](C)C(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000299800247 379142569 /nfs/dbraw/zinc/14/25/69/379142569.db2.gz UQTGTGBBVFRFOP-JTQLQIEISA-N -1 0 297.376 2.021 50 0 CEAARM Cc1ccc2nc(NC(=O)CCC(=O)[O-])sc2c1 ZINC000000077204 169528149 /nfs/dbraw/zinc/52/81/49/169528149.db2.gz HLVXGRVIOASREC-UHFFFAOYSA-N -1 0 264.306 2.408 50 0 CEAARM COc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000168751 169561611 /nfs/dbraw/zinc/56/16/11/169561611.db2.gz DCJSHKQYJZNXTJ-MNOVXSKESA-N -1 0 275.304 2.301 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000269468 169593169 /nfs/dbraw/zinc/59/31/69/169593169.db2.gz WSXUCWDHQOSETM-KBPBESRZSA-N -1 0 293.338 2.375 50 0 CEAARM COc1ccc2nc(NC(=O)CCC(=O)[O-])sc2c1 ZINC000000380779 169624213 /nfs/dbraw/zinc/62/42/13/169624213.db2.gz GMYHIQLHBHMJEP-UHFFFAOYSA-N -1 0 280.305 2.108 50 0 CEAARM Cc1cc(OCC(=O)[O-])n2cc(-c3ccccc3)nc2n1 ZINC000004025636 184529081 /nfs/dbraw/zinc/52/90/81/184529081.db2.gz ACOHEGQRNDIVPC-UHFFFAOYSA-N -1 0 283.287 2.168 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000001641123 304250543 /nfs/dbraw/zinc/25/05/43/304250543.db2.gz MWCPIQZLNXZHTP-UHFFFAOYSA-N -1 0 268.315 2.279 50 0 CEAARM O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)cnc2c1 ZINC000032500309 304251717 /nfs/dbraw/zinc/25/17/17/304251717.db2.gz WJDMMCOTRWZKLQ-UHFFFAOYSA-N -1 0 284.246 2.223 50 0 CEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000004322290 285160160 /nfs/dbraw/zinc/16/01/60/285160160.db2.gz OOEQVBQHJUONDC-OCCSQVGLSA-N -1 0 277.320 2.079 50 0 CEAARM CCC[C@@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000002289579 260009162 /nfs/dbraw/zinc/00/91/62/260009162.db2.gz IPLNQILSPZHUJK-QMMMGPOBSA-N -1 0 256.327 2.363 50 0 CEAARM O=C([O-])CCc1nc(-c2ccccc2Cl)no1 ZINC000001304623 169694861 /nfs/dbraw/zinc/69/48/61/169694861.db2.gz KZPZGRUXMCHZRL-UHFFFAOYSA-N -1 0 252.657 2.407 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H]1CCCCO1 ZINC000095031184 184919372 /nfs/dbraw/zinc/91/93/72/184919372.db2.gz WRUNAZCBEWUKRO-OLZOCXBDSA-N -1 0 283.368 2.192 50 0 CEAARM Cc1nnc(CN(C)[C@@H](C(=O)[O-])c2cc(F)ccc2C)o1 ZINC000095355378 184951171 /nfs/dbraw/zinc/95/11/71/184951171.db2.gz RBZBJFKOYCZHNJ-CYBMUJFWSA-N -1 0 293.298 2.083 50 0 CEAARM Cc1ccc([C@@H](C)Nc2ncncc2C(=O)[O-])cn1 ZINC000095359352 184952390 /nfs/dbraw/zinc/95/23/90/184952390.db2.gz MUOTVTNQIURMFL-SECBINFHSA-N -1 0 258.281 2.051 50 0 CEAARM O=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000021955301 304284396 /nfs/dbraw/zinc/28/43/96/304284396.db2.gz NCGNNPLZBMVISF-UHFFFAOYSA-N -1 0 264.231 2.337 50 0 CEAARM Cc1cc(C)c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000262374731 131215702 /nfs/dbraw/zinc/21/57/02/131215702.db2.gz BLFGKQHAJZFMJU-LLVKDONJSA-N -1 0 277.320 2.223 50 0 CEAARM COC(=O)c1cc(C(C)C)sc1NC(=O)CCC(=O)[O-] ZINC000005727428 394459762 /nfs/dbraw/zinc/45/97/62/394459762.db2.gz VUDKLKJCYXBNPF-UHFFFAOYSA-N -1 0 299.348 2.461 50 0 CEAARM CC(C)(CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000034317733 394492527 /nfs/dbraw/zinc/49/25/27/394492527.db2.gz LVFPDQUAUOUBPO-UHFFFAOYSA-N -1 0 251.282 2.166 50 0 CEAARM O=C([O-])c1cccc(NCN2C(=O)c3ccccc3C2=O)c1 ZINC000000062075 394447761 /nfs/dbraw/zinc/44/77/61/394447761.db2.gz DSSWCGOCELLPBS-UHFFFAOYSA-N -1 0 296.282 2.050 50 0 CEAARM CC[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233506 394596118 /nfs/dbraw/zinc/59/61/18/394596118.db2.gz BIQCBRHEUBSOJD-NXEZZACHSA-N -1 0 257.330 2.497 50 0 CEAARM COc1ccc(/C=C\C(=O)N(C)CCCC(=O)[O-])cc1F ZINC000096256101 394678221 /nfs/dbraw/zinc/67/82/21/394678221.db2.gz UVVCSBXQZNFVSD-VURMDHGXSA-N -1 0 295.310 2.171 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000169967212 400286553 /nfs/dbraw/zinc/28/65/53/400286553.db2.gz ZJVXWPBZJRVMPY-UJNFCWOMSA-N -1 0 267.712 2.033 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2cccs2)C1 ZINC000213921753 400304455 /nfs/dbraw/zinc/30/44/55/400304455.db2.gz NLGFXNPCHNMEMM-ZFDPJTLLSA-N -1 0 265.334 2.085 50 0 CEAARM [O-]c1ccc(Br)nc1I ZINC000071256072 296591192 /nfs/dbraw/zinc/59/11/92/296591192.db2.gz AVAHPXWHVGKFQN-UHFFFAOYSA-N -1 0 299.893 2.154 50 0 CEAARM CCc1nc(C)c(C(=O)N2CCC[C@H]2CC(=O)[O-])s1 ZINC000262958898 154001656 /nfs/dbraw/zinc/00/16/56/154001656.db2.gz NQPGOKOHKDUZGP-VIFPVBQESA-N -1 0 282.365 2.093 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000263364119 154067950 /nfs/dbraw/zinc/06/79/50/154067950.db2.gz ZHEIUEYQDXYAHY-IMSYWVGJSA-N -1 0 293.285 2.335 50 0 CEAARM COc1cc(CCO)ccc1NC1CCC(C(=O)[O-])CC1 ZINC000263437062 154089366 /nfs/dbraw/zinc/08/93/66/154089366.db2.gz UXPORAMEBFWQFY-UHFFFAOYSA-N -1 0 293.363 2.285 50 0 CEAARM C[C@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)F)cc1F ZINC000263541368 154122039 /nfs/dbraw/zinc/12/20/39/154122039.db2.gz DANAJAQLSUECDJ-YFKPBYRVSA-N -1 0 277.198 2.086 50 0 CEAARM CSCC[C@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000001744301 169753948 /nfs/dbraw/zinc/75/39/48/169753948.db2.gz DCMPKVHODYRIOK-NSHDSACASA-N -1 0 277.349 2.248 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](CCc1ccc(O)cc1)C(=O)[O-] ZINC000002560020 169808941 /nfs/dbraw/zinc/80/89/41/169808941.db2.gz CDPGKTTZDRPESV-LBPRGKRZSA-N -1 0 295.335 2.303 50 0 CEAARM CC[C@@H](C)[C@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000004734393 170007676 /nfs/dbraw/zinc/00/76/76/170007676.db2.gz KRKBSIJUCVXTLT-KOLCDFICSA-N -1 0 266.366 2.472 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1)c1ccco1 ZINC000004810885 170021361 /nfs/dbraw/zinc/02/13/61/170021361.db2.gz CAKAFIPQXDZUHV-LLVKDONJSA-N -1 0 259.261 2.225 50 0 CEAARM COc1cc2c(c(OC)c1OC)CCC(C(=O)[O-])=C2 ZINC000005210463 170076478 /nfs/dbraw/zinc/07/64/78/170076478.db2.gz QJWPWKFTQLFTKD-UHFFFAOYSA-N -1 0 264.277 2.127 50 0 CEAARM COc1ccc([C@@H](CC(=O)[O-])Sc2nc[nH]n2)cc1 ZINC000006702626 170229635 /nfs/dbraw/zinc/22/96/35/170229635.db2.gz HQJZIQOPXXZMJJ-SNVBAGLBSA-N -1 0 279.321 2.121 50 0 CEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000006742103 170237764 /nfs/dbraw/zinc/23/77/64/170237764.db2.gz IDEZQCHMNIMELC-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000007057328 170264898 /nfs/dbraw/zinc/26/48/98/170264898.db2.gz WYTGFCVQKKIPEP-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000009053661 170362376 /nfs/dbraw/zinc/36/23/76/170362376.db2.gz LURCKRYURXFIRT-LLVKDONJSA-N -1 0 272.304 2.105 50 0 CEAARM Nc1nc(-c2cccs2)c(CCC(=O)[O-])s1 ZINC000011847802 170446241 /nfs/dbraw/zinc/44/62/41/170446241.db2.gz IQIWYZFPTSWNEM-UHFFFAOYSA-N -1 0 254.336 2.471 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000020214723 171077228 /nfs/dbraw/zinc/07/72/28/171077228.db2.gz IUUBAXCMTMUTJR-LURJTMIESA-N -1 0 291.134 2.258 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1ccco1 ZINC000020251057 171103691 /nfs/dbraw/zinc/10/36/91/171103691.db2.gz GQJPTUUAUUVLNJ-UBHSHLNASA-N -1 0 291.347 2.457 50 0 CEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(Cl)cc1 ZINC000020614590 171267803 /nfs/dbraw/zinc/26/78/03/171267803.db2.gz ZXBKXIRQZOKNIN-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM Cc1nc(C)c(C(=O)NCC2CCC(C(=O)[O-])CC2)s1 ZINC000020715160 171269861 /nfs/dbraw/zinc/26/98/61/171269861.db2.gz DPIYLNBWJWVKMC-UHFFFAOYSA-N -1 0 296.392 2.381 50 0 CEAARM O=C([O-])[C@@H]1CCCN1CCOc1ccccc1Cl ZINC000035302196 172116069 /nfs/dbraw/zinc/11/60/69/172116069.db2.gz AHFVPBLJFJDYHI-NSHDSACASA-N -1 0 269.728 2.268 50 0 CEAARM O=C(c1ccncc1)c1c[n-]c2ccc(F)cc2c1=O ZINC000035528300 172243672 /nfs/dbraw/zinc/24/36/72/172243672.db2.gz VADRYYMFUNHURT-UHFFFAOYSA-N -1 0 268.247 2.293 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCc1cccs1 ZINC000035721571 172376780 /nfs/dbraw/zinc/37/67/80/172376780.db2.gz LOBHGTTVXOKXFX-NEPJUHHUSA-N -1 0 281.377 2.298 50 0 CEAARM CSCC[C@H](NC(=O)c1ccccc1SC)C(=O)[O-] ZINC000037407050 173183294 /nfs/dbraw/zinc/18/32/94/173183294.db2.gz XAOZIMJRSKKDOT-JTQLQIEISA-N -1 0 299.417 2.345 50 0 CEAARM C[C@H](OCc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037437649 173208052 /nfs/dbraw/zinc/20/80/52/173208052.db2.gz CEOTVWUIPSUTCE-GXTWGEPZSA-N -1 0 291.347 2.057 50 0 CEAARM O=C([O-])c1nc(Cc2ccccc2Br)no1 ZINC000040447950 174265625 /nfs/dbraw/zinc/26/56/25/174265625.db2.gz MLFVXCFXYPRACO-UHFFFAOYSA-N -1 0 283.081 2.121 50 0 CEAARM CCOC(=O)c1[n-]nc(C(F)(F)F)c1Br ZINC000040564684 174336929 /nfs/dbraw/zinc/33/69/29/174336929.db2.gz OVIHBAGNAYIHMQ-UHFFFAOYSA-N -1 0 287.035 2.368 50 0 CEAARM CC(C)(C(=O)[O-])n1cc(Nc2ccnc(C3CC3)n2)cn1 ZINC000662895770 414793834 /nfs/dbraw/zinc/79/38/34/414793834.db2.gz OBGIZQHJQOCPGO-UHFFFAOYSA-N -1 0 287.323 2.114 50 0 CEAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)cc1 ZINC000045922832 175386595 /nfs/dbraw/zinc/38/65/95/175386595.db2.gz LZUGNYFLNXJRIV-TZMCWYRMSA-N -1 0 277.320 2.078 50 0 CEAARM Cc1ccc(C)c(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000053141595 175543380 /nfs/dbraw/zinc/54/33/80/175543380.db2.gz YEAJHNSOOPKUPO-CYBMUJFWSA-N -1 0 275.348 2.169 50 0 CEAARM O=C([O-])c1ccc2[nH]c(-c3ccc(OCCO)cc3)nc2c1 ZINC000055368575 175576679 /nfs/dbraw/zinc/57/66/79/175576679.db2.gz SHYNJMHAORURGI-UHFFFAOYSA-N -1 0 298.298 2.299 50 0 CEAARM Cc1cc(C)cc(OCC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000058419449 175624397 /nfs/dbraw/zinc/62/43/97/175624397.db2.gz LJDGOCXFZJGQSD-HNNXBMFYSA-N -1 0 279.336 2.257 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000062913770 175677687 /nfs/dbraw/zinc/67/76/87/175677687.db2.gz IKNGMJVXXAXYOO-QGZVFWFLSA-N -1 0 287.359 2.041 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000071279845 176108425 /nfs/dbraw/zinc/10/84/25/176108425.db2.gz MKRFPASXOSWQIJ-RYUDHWBXSA-N -1 0 272.304 2.463 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000071282220 176108602 /nfs/dbraw/zinc/10/86/02/176108602.db2.gz PNCLYMSNTBCFQY-OLZOCXBDSA-N -1 0 299.330 2.372 50 0 CEAARM O=C([O-])c1ccccc1OCCN1CCO[C@@H]2CCC[C@H]21 ZINC000216640170 227294662 /nfs/dbraw/zinc/29/46/62/227294662.db2.gz FOIVYHWXDRGMSK-UKRRQHHQSA-N -1 0 291.347 2.017 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1SCCc2ccccc21 ZINC000237279729 260676203 /nfs/dbraw/zinc/67/62/03/260676203.db2.gz RWBWCTPFPJXDJS-AWEZNQCLSA-N -1 0 293.388 2.340 50 0 CEAARM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)[O-] ZINC000170612292 278385249 /nfs/dbraw/zinc/38/52/49/278385249.db2.gz BAMPIPDSJUTFSY-VIFPVBQESA-N -1 0 257.330 2.497 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@]2(CC2(F)F)C[C@H]1C(=O)[O-] ZINC000086032367 278419588 /nfs/dbraw/zinc/41/95/88/278419588.db2.gz OXXSWURHJYLTIL-WRWORJQWSA-N -1 0 277.267 2.106 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000239377933 297355256 /nfs/dbraw/zinc/35/52/56/297355256.db2.gz OENIZBQWTODIDU-QNWHQSFQSA-N -1 0 265.353 2.158 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3cc[nH]c32)C1 ZINC000088731257 300784811 /nfs/dbraw/zinc/78/48/11/300784811.db2.gz FVIYXLVVTUXGIM-HNNXBMFYSA-N -1 0 272.304 2.105 50 0 CEAARM Cc1cc(=O)n2cc(-c3ccccc3)nc2n1[C@H](C)C(=O)[O-] ZINC000012359738 301068068 /nfs/dbraw/zinc/06/80/68/301068068.db2.gz PWXJJFNTACOEIO-LLVKDONJSA-N -1 0 297.314 2.117 50 0 CEAARM Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1C ZINC000106510061 301524005 /nfs/dbraw/zinc/52/40/05/301524005.db2.gz MPVOEVPCSHMFKK-DYEKYZERSA-N -1 0 290.363 2.191 50 0 CEAARM Cc1ccc(N2N=C(Br)C[C@H]2C(=O)[O-])cc1 ZINC000074941951 301631401 /nfs/dbraw/zinc/63/14/01/301631401.db2.gz LIYBPGOEFAXPBD-VIFPVBQESA-N -1 0 283.125 2.367 50 0 CEAARM Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252446450 302150265 /nfs/dbraw/zinc/15/02/65/302150265.db2.gz UNSWXUOUVYQUMG-MJBXVCDLSA-N -1 0 273.332 2.379 50 0 CEAARM Cc1ccnc(N2CC[C@@H](c3ccccc3C(=O)[O-])C2)n1 ZINC000072157193 302273793 /nfs/dbraw/zinc/27/37/93/302273793.db2.gz VPAVWEXNEUSCRD-GFCCVEGCSA-N -1 0 283.331 2.477 50 0 CEAARM Cc1[nH]nc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[O-])c12 ZINC000049543300 302532401 /nfs/dbraw/zinc/53/24/01/302532401.db2.gz VESPHHGIZLOCLK-UHFFFAOYSA-N -1 0 297.270 2.360 50 0 CEAARM Cc1noc(C)c1[C@@H](C(=O)[O-])N(C)Cc1ccco1 ZINC000095354541 302844713 /nfs/dbraw/zinc/84/47/13/302844713.db2.gz GGQBIFQKUWHKII-LBPRGKRZSA-N -1 0 264.281 2.142 50 0 CEAARM Cn1nc(C(F)(F)F)c2cc(C(=O)[O-])sc21 ZINC000000082896 303043475 /nfs/dbraw/zinc/04/34/75/303043475.db2.gz YBJKAEFBOTWXOW-UHFFFAOYSA-N -1 0 250.201 2.352 50 0 CEAARM O=C([O-])c1n[nH]cc1CN1CCc2c(Cl)cccc2C1 ZINC000534581880 328312070 /nfs/dbraw/zinc/31/20/70/328312070.db2.gz KYFBTAMGUQILNE-UHFFFAOYSA-N -1 0 291.738 2.320 50 0 CEAARM COc1cccc(-c2cnc3nc(C(=O)[O-])cn3c2)c1OC ZINC000534673759 328348739 /nfs/dbraw/zinc/34/87/39/328348739.db2.gz ARTXQHIRLSAELD-UHFFFAOYSA-N -1 0 299.286 2.112 50 0 CEAARM Cn1nc(C(=O)[O-])nc1-c1cc(Cl)cc(Cl)c1 ZINC000534676233 328351708 /nfs/dbraw/zinc/35/17/08/328351708.db2.gz QRWPYIZNTNFKCM-UHFFFAOYSA-N -1 0 272.091 2.487 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000237272892 327300826 /nfs/dbraw/zinc/30/08/26/327300826.db2.gz BUGAAOWVADKBFY-GHMZBOCLSA-N -1 0 297.301 2.392 50 0 CEAARM C[C@H](NC(=O)c1ccc2ccc(Cl)cc2n1)C(=O)[O-] ZINC000169834744 329067005 /nfs/dbraw/zinc/06/70/05/329067005.db2.gz XQOKXUNFNXMBNM-ZETCQYMHSA-N -1 0 278.695 2.091 50 0 CEAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(Br)cc1 ZINC000057980298 523706701 /nfs/dbraw/zinc/70/67/01/523706701.db2.gz CIGGOCOFRAALQR-ONGXEEELSA-N -1 0 298.136 2.053 50 0 CEAARM Cc1ccc(NC(=O)C2(C(=O)[O-])CC2)c(Cl)c1 ZINC000050290752 525017785 /nfs/dbraw/zinc/01/77/85/525017785.db2.gz BIEGEMBSRSZQSI-UHFFFAOYSA-N -1 0 253.685 2.452 50 0 CEAARM CC(C)[C@@H](NC(=O)c1cnc(-c2ccoc2)s1)C(=O)[O-] ZINC000097017536 528579348 /nfs/dbraw/zinc/57/93/48/528579348.db2.gz WPVIMRDURVWMPQ-SNVBAGLBSA-N -1 0 294.332 2.242 50 0 CEAARM O=C([O-])CC1(NC(=O)c2ccc3c(c2)CCC3)CCC1 ZINC000094291058 601434416 /nfs/dbraw/zinc/43/44/16/601434416.db2.gz SQISJWHDDPHHOF-UHFFFAOYSA-N -1 0 273.332 2.303 50 0 CEAARM CCOc1ccc2nc(SCC(=O)[O-])oc2c1 ZINC000005015613 628760051 /nfs/dbraw/zinc/76/00/51/628760051.db2.gz QRSJXOYEJVBCOR-UHFFFAOYSA-N -1 0 253.279 2.403 50 0 CEAARM CCSCC[C@H](C)NC(=O)c1csc(C(=O)[O-])n1 ZINC000227276161 639580366 /nfs/dbraw/zinc/58/03/66/639580366.db2.gz CJKVZIHJRWAGQS-ZETCQYMHSA-N -1 0 288.394 2.103 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])Cc1c(C)nsc1C ZINC000864097371 646900172 /nfs/dbraw/zinc/90/01/72/646900172.db2.gz UPPUTYJJWNDWTC-QMMMGPOBSA-N -1 0 256.371 2.445 50 0 CEAARM O=C([O-])c1cc2c(cc1NC(=O)C1CCCC1)OCCO2 ZINC000007787162 230370307 /nfs/dbraw/zinc/37/03/07/230370307.db2.gz DNPKOOIBXNPMDZ-UHFFFAOYSA-N -1 0 291.303 2.285 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2ccon2)sc1C ZINC000096499608 230384219 /nfs/dbraw/zinc/38/42/19/230384219.db2.gz QOGQBTAWJHLZGR-UHFFFAOYSA-N -1 0 258.324 2.154 50 0 CEAARM CC(C)(NC(=O)C[C@H]1CCc2ccccc21)C(=O)[O-] ZINC000095522760 185004219 /nfs/dbraw/zinc/00/42/19/185004219.db2.gz URPQVQPMDWUVMM-LLVKDONJSA-N -1 0 261.321 2.086 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)CCc2cccs2)C1 ZINC000095961735 185044110 /nfs/dbraw/zinc/04/41/10/185044110.db2.gz WTVBTZUHQBZYKB-UWVGGRQHSA-N -1 0 267.350 2.050 50 0 CEAARM CCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000095970192 185048635 /nfs/dbraw/zinc/04/86/35/185048635.db2.gz QPCXFRSEOCWZJQ-UHFFFAOYSA-N -1 0 271.263 2.178 50 0 CEAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(F)cc1 ZINC000095970248 185048807 /nfs/dbraw/zinc/04/88/07/185048807.db2.gz CBGVRTFGCAPDMG-CYBMUJFWSA-N -1 0 253.273 2.199 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccn1C)c1ccccc1 ZINC000095970293 185048819 /nfs/dbraw/zinc/04/88/19/185048819.db2.gz VSVWPNHIYLTDOV-RISCZKNCSA-N -1 0 286.331 2.217 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000095989628 185057332 /nfs/dbraw/zinc/05/73/32/185057332.db2.gz QHSRDGPOUSUIOH-ZQIUZPCESA-N -1 0 287.359 2.468 50 0 CEAARM O=C([O-])Cc1sc(SCc2ccccc2)nc1O ZINC000034927051 361797482 /nfs/dbraw/zinc/79/74/82/361797482.db2.gz ZYPCJXUFAPZWOQ-SECBINFHSA-N -1 0 281.358 2.393 50 0 CEAARM Cc1ccsc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000036924584 361870082 /nfs/dbraw/zinc/87/00/82/361870082.db2.gz NEMSUCQJJMMPRG-UHFFFAOYSA-N -1 0 253.323 2.184 50 0 CEAARM O=C([O-])CN(C(=O)Cc1cccc2ccccc21)C1CC1 ZINC000037588438 361907094 /nfs/dbraw/zinc/90/70/94/361907094.db2.gz BLKDAAFUNNHWGU-UHFFFAOYSA-N -1 0 283.327 2.458 50 0 CEAARM Cc1cc(SCC(=O)[O-])ncc1Br ZINC000126559955 187247355 /nfs/dbraw/zinc/24/73/55/187247355.db2.gz ORGURGNWRQSWIE-UHFFFAOYSA-N -1 0 262.128 2.329 50 0 CEAARM CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)s1 ZINC000043509648 362146472 /nfs/dbraw/zinc/14/64/72/362146472.db2.gz ULRWLNNUZDAPQF-GFCCVEGCSA-N -1 0 285.390 2.001 50 0 CEAARM CSc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1Cl ZINC000078998540 343969132 /nfs/dbraw/zinc/96/91/32/343969132.db2.gz BEZNNJQKWBTDPC-UHFFFAOYSA-N -1 0 284.728 2.138 50 0 CEAARM Cc1ccc(C(=O)[O-])c(NCC2(CO)CCCC2)n1 ZINC000135160911 344380134 /nfs/dbraw/zinc/38/01/34/344380134.db2.gz DDADOYNFLSYXSY-UHFFFAOYSA-N -1 0 264.325 2.053 50 0 CEAARM O=C([O-])c1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000050213487 362410805 /nfs/dbraw/zinc/41/08/05/362410805.db2.gz PIRIFOQJRVPVDI-UHFFFAOYSA-N -1 0 271.198 2.043 50 0 CEAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1 ZINC000055310988 362547135 /nfs/dbraw/zinc/54/71/35/362547135.db2.gz BCZDZFMGUDFQNE-UHFFFAOYSA-N -1 0 295.316 2.111 50 0 CEAARM CCCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])[nH]n1 ZINC000236896847 370649217 /nfs/dbraw/zinc/64/92/17/370649217.db2.gz LRFDBZFTPPYMHW-GFCCVEGCSA-N -1 0 293.367 2.222 50 0 CEAARM Cc1cccc(C)c1NC(=O)/N=c1\[n-]nc2ccccn21 ZINC000065314568 362808957 /nfs/dbraw/zinc/80/89/57/362808957.db2.gz OOFQVCBTFDAWJA-UHFFFAOYSA-N -1 0 281.319 2.412 50 0 CEAARM O=C([O-])c1n[nH]c2c1[C@@H](CCc1ccccc1)CC(=O)N2 ZINC000065460304 362824382 /nfs/dbraw/zinc/82/43/82/362824382.db2.gz FAVZZLPTQKIQGR-JTQLQIEISA-N -1 0 285.303 2.167 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccncc1F ZINC000086316145 179269533 /nfs/dbraw/zinc/26/95/33/179269533.db2.gz YIJOOLGRADYATG-SNVBAGLBSA-N -1 0 280.299 2.080 50 0 CEAARM CCOc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000066057221 362851235 /nfs/dbraw/zinc/85/12/35/362851235.db2.gz XVVMFKCLKOCMBM-UHFFFAOYSA-N -1 0 277.320 2.022 50 0 CEAARM CCCCO[C@H](C)C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000068503541 362941218 /nfs/dbraw/zinc/94/12/18/362941218.db2.gz DTGGWBCFPHWABU-LLVKDONJSA-N -1 0 271.357 2.095 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237415 180350013 /nfs/dbraw/zinc/35/00/13/180350013.db2.gz KBFPDIWCIMTMTG-LLVKDONJSA-N -1 0 279.361 2.199 50 0 CEAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)s1 ZINC000069414985 362965848 /nfs/dbraw/zinc/96/58/48/362965848.db2.gz JKDLMOQCQDUMLE-SKDRFNHKSA-N -1 0 267.350 2.439 50 0 CEAARM CO[N-]C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000069512159 362973627 /nfs/dbraw/zinc/97/36/27/362973627.db2.gz WQRSVZWFLXFPPV-LURJTMIESA-N -1 0 264.108 2.438 50 0 CEAARM O=C([O-])CCCNC(=O)c1sccc1Br ZINC000070162810 363039999 /nfs/dbraw/zinc/03/99/99/363039999.db2.gz OWDGXGSWFGKTAT-UHFFFAOYSA-N -1 0 292.154 2.105 50 0 CEAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070270240 363066594 /nfs/dbraw/zinc/06/65/94/363066594.db2.gz GQIGTTZARNEUHS-RDDDGLTNSA-N -1 0 271.675 2.083 50 0 CEAARM O=C([O-])c1cc(/C=C\c2ccnn2CC2CCC2)ncn1 ZINC000630951376 351897424 /nfs/dbraw/zinc/89/74/24/351897424.db2.gz YIACIFSJPJGYKM-PLNGDYQASA-N -1 0 284.319 2.342 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000071279846 363109321 /nfs/dbraw/zinc/10/93/21/363109321.db2.gz MKRFPASXOSWQIJ-NEPJUHHUSA-N -1 0 272.304 2.463 50 0 CEAARM COc1cccc(Cl)c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136144116 187867670 /nfs/dbraw/zinc/86/76/70/187867670.db2.gz DKJOSXZBJGJVKA-SECBINFHSA-N -1 0 297.738 2.285 50 0 CEAARM O=C([O-])C1(CNC(=O)c2ccncc2Cl)CCCCC1 ZINC000165644686 304030165 /nfs/dbraw/zinc/03/01/65/304030165.db2.gz LJBYQVVJBKMZPR-UHFFFAOYSA-N -1 0 296.754 2.500 50 0 CEAARM Cc1cc(Cl)cc(C(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000157506441 188321905 /nfs/dbraw/zinc/32/19/05/188321905.db2.gz JXJDFLKKROARLR-VIFPVBQESA-N -1 0 269.728 2.489 50 0 CEAARM CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000271885888 191388925 /nfs/dbraw/zinc/38/89/25/191388925.db2.gz DBRRQKRIZXQHQW-MGPQQGTHSA-N -1 0 291.347 2.052 50 0 CEAARM Cc1nnc([N-]S(=O)(=O)c2ccc(C)cc2C)s1 ZINC000079053038 363570740 /nfs/dbraw/zinc/57/07/40/363570740.db2.gz RPNVDTGAHXODPR-UHFFFAOYSA-N -1 0 283.378 2.264 50 0 CEAARM CC(C)(C)OC(=O)N=c1[nH]c(CC(=O)[O-])cs1 ZINC000002583119 169813924 /nfs/dbraw/zinc/81/39/24/169813924.db2.gz LNUBPLFRRHJPLI-UHFFFAOYSA-N -1 0 258.299 2.117 50 0 CEAARM CC[C@@H](C(=O)[O-])N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000263561128 535436780 /nfs/dbraw/zinc/43/67/80/535436780.db2.gz BWMYOLJLHFBYBJ-ZDUSSCGKSA-N -1 0 273.336 2.372 50 0 CEAARM C[C@H](C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1cccs1 ZINC000136128589 366497242 /nfs/dbraw/zinc/49/72/42/366497242.db2.gz MQTLSQIVDZRGHZ-VHSXEESVSA-N -1 0 267.350 2.175 50 0 CEAARM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCc2ccccc2C1 ZINC000223380688 540534883 /nfs/dbraw/zinc/53/48/83/540534883.db2.gz VYIUIMHIQSRKOK-KGLIPLIRSA-N -1 0 275.348 2.113 50 0 CEAARM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])ccc1Cl ZINC000138101975 366550219 /nfs/dbraw/zinc/55/02/19/366550219.db2.gz ANQAVTYKIONACN-VIFPVBQESA-N -1 0 269.728 2.441 50 0 CEAARM O=C([O-])c1ccccc1NCn1nnc2ccccc21 ZINC000000041289 361120498 /nfs/dbraw/zinc/12/04/98/361120498.db2.gz CLTCGPIRPXRPTL-UHFFFAOYSA-N -1 0 268.276 2.199 50 0 CEAARM O=C1OCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000000106815 361129119 /nfs/dbraw/zinc/12/91/19/361129119.db2.gz VKHFCSUJWZRISS-UHFFFAOYSA-N -1 0 295.341 2.219 50 0 CEAARM O=C(N=C([O-])Nc1cccc(F)c1)C(F)(F)F ZINC000000107995 361129227 /nfs/dbraw/zinc/12/92/27/361129227.db2.gz OXFYHZBVOOHHOL-UHFFFAOYSA-N -1 0 250.151 2.036 50 0 CEAARM O=C([O-])CSCC(=O)Nc1ccc(Cl)nc1Cl ZINC000000163111 361138343 /nfs/dbraw/zinc/13/83/43/361138343.db2.gz XOIOGMVTRLIMLS-UHFFFAOYSA-N -1 0 295.147 2.145 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(Br)cc1 ZINC000000187921 361142778 /nfs/dbraw/zinc/14/27/78/361142778.db2.gz MJQBQVIGARYLLU-UHFFFAOYSA-N -1 0 272.098 2.252 50 0 CEAARM O=C([O-])c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000000257888 361152591 /nfs/dbraw/zinc/15/25/91/361152591.db2.gz LCURHPLNBBIAJV-QGZVFWFLSA-N -1 0 250.275 2.286 50 0 CEAARM C[C@H]1CC(=O)c2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000000088696 361126837 /nfs/dbraw/zinc/12/68/37/361126837.db2.gz OGCXVLMNLBRCIN-YFKPBYRVSA-N -1 0 293.225 2.125 50 0 CEAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)[O-])cc2oc1=O ZINC000000407777 361171705 /nfs/dbraw/zinc/17/17/05/361171705.db2.gz HMPAASQVCHUFME-VIFPVBQESA-N -1 0 262.261 2.262 50 0 CEAARM CC(=O)Nc1ccc(NC(=O)CCCC(=O)[O-])cc1Cl ZINC000000451935 361176104 /nfs/dbraw/zinc/17/61/04/361176104.db2.gz RANLEQYNQHUDQC-UHFFFAOYSA-N -1 0 298.726 2.492 50 0 CEAARM O=C(C[P@](=O)([O-])c1ccccc1)c1ccccc1 ZINC000000510160 361181977 /nfs/dbraw/zinc/18/19/77/361181977.db2.gz ZZXUPHXWDXBEPT-UHFFFAOYSA-N -1 0 260.229 2.465 50 0 CEAARM CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000000611593 361189303 /nfs/dbraw/zinc/18/93/03/361189303.db2.gz GULPUVAVKMOGTC-ZDUSSCGKSA-N -1 0 263.337 2.478 50 0 CEAARM COc1ccc(C(=O)[O-])cc1Cn1nc(C)cc1C ZINC000000801659 361192240 /nfs/dbraw/zinc/19/22/40/361192240.db2.gz WSSQRQOVLIJMOC-UHFFFAOYSA-N -1 0 260.293 2.255 50 0 CEAARM COC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000342735 361163968 /nfs/dbraw/zinc/16/39/68/361163968.db2.gz UHPGIBYNJJIWGS-UHFFFAOYSA-N -1 0 299.282 2.424 50 0 CEAARM COc1cc(C)c(/C=C2/NC(=O)[N-]C2=O)cc1C(C)C ZINC000000368219 361166318 /nfs/dbraw/zinc/16/63/18/361166318.db2.gz QNXTTZIVTUUNDL-KPKJPENVSA-N -1 0 274.320 2.307 50 0 CEAARM CC(=O)Oc1cccc2c1cccc2S(=O)(=O)[O-] ZINC000002160192 361229059 /nfs/dbraw/zinc/22/90/59/361229059.db2.gz OLKNYWSSTPFUHU-UHFFFAOYSA-N -1 0 266.274 2.012 50 0 CEAARM Cc1cc(OCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002388774 361234579 /nfs/dbraw/zinc/23/45/79/361234579.db2.gz VCEAHEMKSWXOSU-UHFFFAOYSA-N -1 0 274.272 2.054 50 0 CEAARM C[C@]1(O)N(CCCCCC(=O)[O-])C(=O)OC12CCCCC2 ZINC000002491102 361235610 /nfs/dbraw/zinc/23/56/10/361235610.db2.gz VOPDYFNTXMAVCV-CQSZACIVSA-N -1 0 299.367 2.495 50 0 CEAARM COc1ccc2nc(SCC(=O)[O-])nc(C)c2c1 ZINC000002484938 361235673 /nfs/dbraw/zinc/23/56/73/361235673.db2.gz OANLRFWQHZYEKK-UHFFFAOYSA-N -1 0 264.306 2.124 50 0 CEAARM CC[C@@H](C)NC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000002495480 361237002 /nfs/dbraw/zinc/23/70/02/361237002.db2.gz HRQKYMRQLZJWOV-MRVPVSSYSA-N -1 0 290.772 2.126 50 0 CEAARM Cc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000002618310 361242435 /nfs/dbraw/zinc/24/24/35/361242435.db2.gz YOEZOGCBFWCKAF-LQYUOIDQSA-N -1 0 270.284 2.223 50 0 CEAARM CCn1c(SCC(=O)[O-])nnc1-c1ccccc1C ZINC000003863252 361291749 /nfs/dbraw/zinc/29/17/49/361291749.db2.gz FUJOXKPOSMNFOS-UHFFFAOYSA-N -1 0 277.349 2.450 50 0 CEAARM O=C([O-])Cn1c2ccccc2nc1SC(F)F ZINC000003888499 361293298 /nfs/dbraw/zinc/29/32/98/361293298.db2.gz TXUMAFOETBCQGI-UHFFFAOYSA-N -1 0 258.249 2.436 50 0 CEAARM Cn1c(SCC(=O)[O-])nnc1-c1c[nH]c2ccccc21 ZINC000002874678 361256474 /nfs/dbraw/zinc/25/64/74/361256474.db2.gz QMWAUCRLJVWASB-UHFFFAOYSA-N -1 0 288.332 2.140 50 0 CEAARM COc1ccc(-c2ccnc3cc(C(=O)[O-])nn32)cc1OC ZINC000004237885 361306738 /nfs/dbraw/zinc/30/67/38/361306738.db2.gz XHJFJCDSODRMRL-UHFFFAOYSA-N -1 0 299.286 2.112 50 0 CEAARM CSCC[C@@H](CC(=O)[O-])NC(=O)c1cccs1 ZINC000004344786 361313664 /nfs/dbraw/zinc/31/36/64/361313664.db2.gz RHDVBMYNVYBJJT-QMMMGPOBSA-N -1 0 273.379 2.074 50 0 CEAARM O=C([O-])COc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000004673185 361325880 /nfs/dbraw/zinc/32/58/80/361325880.db2.gz NLJPTKXQIMTUGL-UHFFFAOYSA-N -1 0 285.299 2.331 50 0 CEAARM Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000004660908 361325906 /nfs/dbraw/zinc/32/59/06/361325906.db2.gz IDDXXFQDCNPKFG-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM C[C@H](C(=O)[O-])n1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004542275 361320958 /nfs/dbraw/zinc/32/09/58/361320958.db2.gz SABVZAXAJUTPOK-MRVPVSSYSA-N -1 0 278.695 2.209 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2ccccn2c1 ZINC000136494971 304103622 /nfs/dbraw/zinc/10/36/22/304103622.db2.gz QPGNJLLKJLAXFE-ZDUSSCGKSA-N -1 0 272.304 2.019 50 0 CEAARM CCCOc1ccc(C(=O)[O-])cc1N1CCOCC1 ZINC000008703665 361343247 /nfs/dbraw/zinc/34/32/47/361343247.db2.gz KSLFQZJXFOJMAM-UHFFFAOYSA-N -1 0 265.309 2.010 50 0 CEAARM COc1ccc(Cl)cc1NC(=O)CCC(=O)[O-] ZINC000005360966 361331933 /nfs/dbraw/zinc/33/19/33/361331933.db2.gz NREBQBZRWTXQRG-UHFFFAOYSA-N -1 0 257.673 2.152 50 0 CEAARM Cc1nn2c([n-]1)c1c3c(sc1nc2=O)CCCC3 ZINC000006008237 361334821 /nfs/dbraw/zinc/33/48/21/361334821.db2.gz OHPIOHANUTZYLK-UHFFFAOYSA-N -1 0 260.322 2.232 50 0 CEAARM CCn1cc(-c2nc3ccccc3n2CC(=O)[O-])cn1 ZINC000012397885 361383082 /nfs/dbraw/zinc/38/30/82/361383082.db2.gz GVOXJRLRPMURLZ-UHFFFAOYSA-N -1 0 270.292 2.004 50 0 CEAARM C[C@@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC000012649064 361395328 /nfs/dbraw/zinc/39/53/28/361395328.db2.gz URADCGNNXPUQAP-NTSWFWBYSA-N -1 0 271.235 2.163 50 0 CEAARM O=C([O-])CCN(Cc1ccccc1)C(=O)C1CCC1 ZINC000013429032 361428126 /nfs/dbraw/zinc/42/81/26/361428126.db2.gz JIEUDLHUBNTNTM-UHFFFAOYSA-N -1 0 261.321 2.290 50 0 CEAARM COc1ccc(Cl)cc1NC(=O)/C(C)=C/C(=O)[O-] ZINC000013115537 361419354 /nfs/dbraw/zinc/41/93/54/361419354.db2.gz PPILRRVNXUKOLF-FNORWQNLSA-N -1 0 269.684 2.318 50 0 CEAARM COCc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000013115123 361419546 /nfs/dbraw/zinc/41/95/46/361419546.db2.gz BNJZROMPBYUKNH-UHFFFAOYSA-N -1 0 255.277 2.248 50 0 CEAARM Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000014964411 361462898 /nfs/dbraw/zinc/46/28/98/361462898.db2.gz HXQLTRSIZRSFTR-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 in-vivo CEAARM O=c1[n-]c(Nc2cccc(O)c2)nnc1-c1ccccc1 ZINC000016675976 361495372 /nfs/dbraw/zinc/49/53/72/361495372.db2.gz ZEFNERVDWLFHSH-UHFFFAOYSA-N -1 0 280.287 2.281 50 0 CEAARM CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1OC ZINC000015012963 361464606 /nfs/dbraw/zinc/46/46/06/361464606.db2.gz RAGMAAZWAMQRTF-MDXIRLPMSA-N -1 0 290.319 2.053 50 0 CEAARM COc1ccccc1OCCSc1nnc(C)c(=O)[n-]1 ZINC000016623747 361494058 /nfs/dbraw/zinc/49/40/58/361494058.db2.gz UEVZLMRWTCQLDB-UHFFFAOYSA-N -1 0 293.348 2.065 50 0 CEAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000016319438 361485777 /nfs/dbraw/zinc/48/57/77/361485777.db2.gz RQSBJKFFDPIXKJ-UHFFFAOYSA-N -1 0 282.296 2.030 50 0 CEAARM [O-]c1cc(Br)cnc1I ZINC000014400948 361457224 /nfs/dbraw/zinc/45/72/24/361457224.db2.gz TYKCQFLONIEXBQ-UHFFFAOYSA-N -1 0 299.893 2.154 50 0 CEAARM COc1cccc(-c2cc(=O)n3nc(SC)[n-]c3n2)c1 ZINC000018077403 361513818 /nfs/dbraw/zinc/51/38/18/361513818.db2.gz LNMNNFACLCRIBG-UHFFFAOYSA-N -1 0 288.332 2.227 50 0 CEAARM O=c1[n-]c(CSCc2ccccc2Cl)n[nH]1 ZINC000018114453 361513994 /nfs/dbraw/zinc/51/39/94/361513994.db2.gz MEFZAXYMRZUVIO-UHFFFAOYSA-N -1 0 255.730 2.185 50 0 CEAARM NC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000019838545 361559899 /nfs/dbraw/zinc/55/98/99/361559899.db2.gz UGDYSXMFQTXRQZ-UHFFFAOYSA-N -1 0 290.706 2.397 50 0 CEAARM Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])s1 ZINC000019410443 361532271 /nfs/dbraw/zinc/53/22/71/361532271.db2.gz CJIRJRXFKXGADY-SECBINFHSA-N -1 0 255.339 2.286 50 0 CEAARM O=C([N-]OCc1ccccc1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000025285791 361622721 /nfs/dbraw/zinc/62/27/21/361622721.db2.gz FJTOIJQNNLBQHY-CQSZACIVSA-N -1 0 296.326 2.360 50 0 CEAARM O=C([O-])c1csc(Cn2cnc3ccccc32)n1 ZINC000031936288 361722985 /nfs/dbraw/zinc/72/29/85/361722985.db2.gz LITTTZIOYHNTIB-UHFFFAOYSA-N -1 0 259.290 2.239 50 0 CEAARM COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1C(=O)[O-] ZINC000237343546 370712252 /nfs/dbraw/zinc/71/22/52/370712252.db2.gz ASWDAWCOCDOJOA-LLVKDONJSA-N -1 0 289.331 2.366 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000237976310 370763980 /nfs/dbraw/zinc/76/39/80/370763980.db2.gz QSALOQHEPSPZNU-PBHICJAKSA-N -1 0 287.359 2.262 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2ccc3cc[nH]c3c2)o1 ZINC000094554645 364276700 /nfs/dbraw/zinc/27/67/00/364276700.db2.gz HOMZHXODSZHOLR-UHFFFAOYSA-N -1 0 284.271 2.389 50 0 CEAARM CN(Cc1ncc[nH]1)[C@@H](C(=O)[O-])c1cc2ccccc2o1 ZINC000095390735 364356236 /nfs/dbraw/zinc/35/62/36/364356236.db2.gz NRGDQCVZGGOFNE-CQSZACIVSA-N -1 0 285.303 2.414 50 0 CEAARM CC(C)[C@H](O)CC(=O)Nc1cccc(Cl)c1[O-] ZINC000095443674 364381555 /nfs/dbraw/zinc/38/15/55/364381555.db2.gz CMZRULRXKHBISE-SNVBAGLBSA-N -1 0 257.717 2.391 50 0 CEAARM Cc1cc(S(=O)(=O)[N-]c2onc(C)c2C)c(C)o1 ZINC000095463658 364386587 /nfs/dbraw/zinc/38/65/87/364386587.db2.gz IFSQTVCIWYGTJO-UHFFFAOYSA-N -1 0 270.310 2.302 50 0 CEAARM O=c1cc(-c2nc([C@@H]3CCOC3)no2)[n-]c2ccccc12 ZINC000096135976 364400241 /nfs/dbraw/zinc/40/02/41/364400241.db2.gz HTACXGPFVVKOIC-SECBINFHSA-N -1 0 283.287 2.082 50 0 CEAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(C)cc(C)n2)c1 ZINC000097114358 364456388 /nfs/dbraw/zinc/45/63/88/364456388.db2.gz GCBQYYBTVFRCOK-UHFFFAOYSA-N -1 0 295.339 2.342 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097039402 364428712 /nfs/dbraw/zinc/42/87/12/364428712.db2.gz VMOMWIVOZWDZBF-NEBZKDRISA-N -1 0 287.359 2.468 50 0 CEAARM CCc1cc(C)c(C(=O)NCCCCC(=O)[O-])o1 ZINC000097230605 364482386 /nfs/dbraw/zinc/48/23/86/364482386.db2.gz BCDURTDJIIUNGJ-UHFFFAOYSA-N -1 0 253.298 2.135 50 0 CEAARM Cc1ccc(SCc2cc(=O)n3nc[n-]c3n2)cc1 ZINC000100768901 364550761 /nfs/dbraw/zinc/55/07/61/364550761.db2.gz KZLDPZYMEJCERP-UHFFFAOYSA-N -1 0 272.333 2.018 50 0 CEAARM Nn1c(=O)c2sc(-c3ccccc3)cc2[n-]c1=S ZINC000103672625 364666147 /nfs/dbraw/zinc/66/61/47/364666147.db2.gz CUPULFHYHSXKIR-UHFFFAOYSA-N -1 0 275.358 2.128 50 0 CEAARM CCO[C@@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000120824832 365481614 /nfs/dbraw/zinc/48/16/14/365481614.db2.gz LTCWWIGMQODJHL-SNVBAGLBSA-N -1 0 267.300 2.172 50 0 CEAARM N=c1[n-]nc([C@H]2CCCN(Cc3c(F)cccc3F)C2)o1 ZINC000585116088 367179276 /nfs/dbraw/zinc/17/92/76/367179276.db2.gz GZEPPYFMESGHGN-VIFPVBQESA-N -1 0 294.305 2.140 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000170672404 367395483 /nfs/dbraw/zinc/39/54/83/367395483.db2.gz YATIFICCVFNXGI-DTWKUNHWSA-N -1 0 283.274 2.001 50 0 CEAARM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc2n1 ZINC000170811555 367421400 /nfs/dbraw/zinc/42/14/00/367421400.db2.gz BCEZFMWOEIQUSU-KRWDZBQOSA-N -1 0 298.342 2.480 50 0 CEAARM O=C([O-])[C@H]1CCc2sc(C(=O)N3CCCC3)cc2C1 ZINC000169676892 367369767 /nfs/dbraw/zinc/36/97/67/367369767.db2.gz VBNCNNJLEHGNGY-VIFPVBQESA-N -1 0 279.361 2.174 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccncc1F ZINC000225903284 304147590 /nfs/dbraw/zinc/14/75/90/304147590.db2.gz DVYSQYZMMCMAMW-ICCXJUOJSA-N -1 0 292.310 2.079 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccn(C3CCCC3)n2)CCCC1 ZINC000195551072 370140738 /nfs/dbraw/zinc/14/07/38/370140738.db2.gz IXPCVJFVXFYUIX-UHFFFAOYSA-N -1 0 291.351 2.125 50 0 CEAARM C/C=C(\C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000222160647 370252197 /nfs/dbraw/zinc/25/21/97/370252197.db2.gz LNZAQTWPLPZCJO-KBNZMGLGSA-N -1 0 265.284 2.424 50 0 CEAARM C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccco1 ZINC000224561328 370281259 /nfs/dbraw/zinc/28/12/59/370281259.db2.gz SLEQFEPJXYRDTK-HBNTYKKESA-N -1 0 265.309 2.348 50 0 CEAARM C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccco1 ZINC000224561423 370281746 /nfs/dbraw/zinc/28/17/46/370281746.db2.gz SLEQFEPJXYRDTK-GARJFASQSA-N -1 0 265.309 2.348 50 0 CEAARM Cn1cccc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000225443040 370295275 /nfs/dbraw/zinc/29/52/75/370295275.db2.gz CJOMXQFCNBEKQE-SECBINFHSA-N -1 0 278.333 2.032 50 0 CEAARM C/C(=C/C(=O)NC[C@H](CC(C)C)C(=O)[O-])C1CC1 ZINC000225551067 370303934 /nfs/dbraw/zinc/30/39/34/370303934.db2.gz SGKIESOLRAPBEO-UMAGTOLTSA-N -1 0 253.342 2.206 50 0 CEAARM C[C@]1(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCCS1 ZINC000227493396 370370867 /nfs/dbraw/zinc/37/08/67/370370867.db2.gz UEGOGOBDLQSVME-MISXGVKJSA-N -1 0 285.409 2.279 50 0 CEAARM CCCCO[C@@H](C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000236840742 189847679 /nfs/dbraw/zinc/84/76/79/189847679.db2.gz HXRGJKSXKXMOLQ-STQMWFEESA-N -1 0 285.384 2.438 50 0 CEAARM O=C([O-])[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000252511991 371452124 /nfs/dbraw/zinc/45/21/24/371452124.db2.gz LDJLXBJQBDOBEP-MGPQQGTHSA-N -1 0 299.326 2.368 50 0 CEAARM COc1cc(CNC(=O)[C@@H]2C[C@H]2C2CC2)ccc1C(=O)[O-] ZINC000237316447 189872533 /nfs/dbraw/zinc/87/25/33/189872533.db2.gz JFFGTVFRQZJKSD-QWHCGFSZSA-N -1 0 289.331 2.056 50 0 CEAARM Cc1nnc(N=NC(C)[C@H]2C[C@@H]2c2ccccc2)[n-]c1=O ZINC000263630774 371944776 /nfs/dbraw/zinc/94/47/76/371944776.db2.gz WVBWOJWYWCXGNX-CHWSQXEVSA-N -1 0 283.335 2.477 50 0 CEAARM C[C@@H](CN(C)C(=O)[C@@H]1SCCc2sccc21)C(=O)[O-] ZINC000237391626 189874463 /nfs/dbraw/zinc/87/44/63/189874463.db2.gz OKQSVBVVWOCOTR-GZMMTYOYSA-N -1 0 299.417 2.258 50 0 CEAARM C[C@@H](CN(C(=O)c1cc(F)ccc1F)C1CC1)C(=O)[O-] ZINC000237463225 189877662 /nfs/dbraw/zinc/87/76/62/189877662.db2.gz FDVSLWAGGIVGJH-QMMMGPOBSA-N -1 0 283.274 2.290 50 0 CEAARM C[C@H](OC1CCCCCC1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237556433 189881437 /nfs/dbraw/zinc/88/14/37/189881437.db2.gz 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C[C@@H](Cc1ncc[nH]1)OCc1ccc(C(=O)[O-])cc1 ZINC000570333207 299254220 /nfs/dbraw/zinc/25/42/20/299254220.db2.gz YXQVDMMPNBYEDK-JTQLQIEISA-N -1 0 260.293 2.256 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C1CC(F)(F)C1 ZINC000263365194 304061995 /nfs/dbraw/zinc/06/19/95/304061995.db2.gz VTOOQASMCIVWBC-SNVBAGLBSA-N -1 0 275.295 2.278 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1F ZINC000095066203 538891265 /nfs/dbraw/zinc/89/12/65/538891265.db2.gz RXKBKCDHCVXHTD-GFCCVEGCSA-N -1 0 297.301 2.363 50 0 CEAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000000966693 304066811 /nfs/dbraw/zinc/06/68/11/304066811.db2.gz IISVBECEDQMGKL-WEVVVXLNSA-N -1 0 297.719 2.461 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCCOC2)c2ccccc21 ZINC000167136598 540380374 /nfs/dbraw/zinc/38/03/74/540380374.db2.gz LVUBFUDHBLGBBX-WCQYABFASA-N -1 0 289.331 2.018 50 0 CEAARM Cc1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC000262138740 540400780 /nfs/dbraw/zinc/40/07/80/540400780.db2.gz JOUWSRZKYNPULD-AWEZNQCLSA-N -1 0 290.363 2.178 50 0 CEAARM C[C@@]1(C(=O)[O-])CCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000079489831 363608728 /nfs/dbraw/zinc/60/87/28/363608728.db2.gz LLQIERXDBNEKMM-AWEZNQCLSA-N -1 0 296.754 2.218 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1csc(C2CC2)n1 ZINC000136464301 366514257 /nfs/dbraw/zinc/51/42/57/366514257.db2.gz VLLJKUXFHFARDB-JTQLQIEISA-N -1 0 280.349 2.100 50 0 CEAARM O=C([O-])Cc1c(F)ccc(Br)c1F ZINC000075902413 304087785 /nfs/dbraw/zinc/08/77/85/304087785.db2.gz HGSULWSXEZBTAW-UHFFFAOYSA-N -1 0 251.026 2.354 50 0 CEAARM O=C([O-])[C@@H]1CC12CCN(C(=O)C1CCCCC1)CC2 ZINC000072275003 304098638 /nfs/dbraw/zinc/09/86/38/304098638.db2.gz VPBARSCNHASJCI-LBPRGKRZSA-N -1 0 265.353 2.280 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccccc1Br ZINC000000186346 361142736 /nfs/dbraw/zinc/14/27/36/361142736.db2.gz VKQWIXDBLNALTB-UHFFFAOYSA-N -1 0 272.098 2.252 50 0 CEAARM CN(C)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000215210 361147336 /nfs/dbraw/zinc/14/73/36/361147336.db2.gz JHQKPRATGDLOFY-KBPBESRZSA-N -1 0 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/nfs/dbraw/zinc/31/74/05/361317405.db2.gz CYNCWVWKWZDOOE-VURMDHGXSA-N -1 0 258.233 2.423 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@H]1SCCc2ccccc21 ZINC000237053353 370684997 /nfs/dbraw/zinc/68/49/97/370684997.db2.gz JYRJKDXSDHVJII-AWEZNQCLSA-N -1 0 293.388 2.340 50 0 CEAARM O=C([O-])c1csc(N2CCN(c3ccccc3)CC2)n1 ZINC000008730244 361343371 /nfs/dbraw/zinc/34/33/71/361343371.db2.gz ONISFFSBNXBAKN-UHFFFAOYSA-N -1 0 289.360 2.168 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(Br)c1 ZINC000011890722 361367510 /nfs/dbraw/zinc/36/75/10/361367510.db2.gz LZPUZYKWOPCTGP-SNVBAGLBSA-N -1 0 298.136 2.138 50 0 CEAARM CCOC(=O)c1c[n-]c2c(OC)ccc(C)c2c1=O ZINC000012285442 361377717 /nfs/dbraw/zinc/37/77/17/361377717.db2.gz PKFHECQXAUCDES-UHFFFAOYSA-N -1 0 261.277 2.022 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2cccc(F)c2)CCCCC1 ZINC000013168390 361422475 /nfs/dbraw/zinc/42/24/75/361422475.db2.gz PYSWZBOMSBVAFI-UHFFFAOYSA-N -1 0 279.311 2.272 50 0 CEAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1Cl ZINC000013173100 361423314 /nfs/dbraw/zinc/42/33/14/361423314.db2.gz MGMSISLCXOOZLP-RYUDHWBXSA-N -1 0 297.738 2.151 50 0 CEAARM COc1ccc(CNC(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013254413 361423780 /nfs/dbraw/zinc/42/37/80/361423780.db2.gz MGLNJBZNHNVGDG-UHFFFAOYSA-N -1 0 285.299 2.323 50 0 CEAARM COc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC000013392722 361425936 /nfs/dbraw/zinc/42/59/36/361425936.db2.gz RZPDVHQPQYNIEM-GFCCVEGCSA-N -1 0 289.331 2.366 50 0 CEAARM C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccncc1 ZINC000017007558 361502454 /nfs/dbraw/zinc/50/24/54/361502454.db2.gz QWXILJYEEQQOMX-DRZSPHRISA-N -1 0 276.336 2.150 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(F)F)cc2)N1 ZINC000019518497 361541584 /nfs/dbraw/zinc/54/15/84/361541584.db2.gz IYSPHFWFJQGQIO-IUCAKERBSA-N -1 0 275.276 2.076 50 0 CEAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(OC(F)F)cc2)N1 ZINC000019518498 361541897 /nfs/dbraw/zinc/54/18/97/361541897.db2.gz IYSPHFWFJQGQIO-BDAKNGLRSA-N -1 0 275.276 2.076 50 0 CEAARM CSCCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000020250941 361582273 /nfs/dbraw/zinc/58/22/73/361582273.db2.gz MGBLAIVSGCTJKC-LLVKDONJSA-N -1 0 267.350 2.072 50 0 CEAARM Cc1ccc2c(c1)CCCN2C(=O)c1nn(C)cc1C(=O)[O-] ZINC000020602558 361583455 /nfs/dbraw/zinc/58/34/55/361583455.db2.gz ISOKKXZLMFJDCW-UHFFFAOYSA-N -1 0 299.330 2.020 50 0 CEAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2C[C@@H]2C)C(=O)[O-])c1 ZINC000089669454 363991616 /nfs/dbraw/zinc/99/16/16/363991616.db2.gz QUVTUXGMJKNWNS-IACUBPJLSA-N -1 0 275.348 2.011 50 0 CEAARM CCC[C@H](NC(=O)[C@@H](C)c1cccs1)c1nnn[n-]1 ZINC000089949538 364022576 /nfs/dbraw/zinc/02/25/76/364022576.db2.gz PBGCRSQOEJXAAQ-IUCAKERBSA-N -1 0 279.369 2.022 50 0 CEAARM CCC[C@@H](NC(=O)[C@@H](C)c1cccs1)c1nnn[n-]1 ZINC000089949540 364023015 /nfs/dbraw/zinc/02/30/15/364023015.db2.gz PBGCRSQOEJXAAQ-DTWKUNHWSA-N -1 0 279.369 2.022 50 0 CEAARM CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]([C@H]1C(=O)[O-])C(F)(F)C2 ZINC000091303254 364068964 /nfs/dbraw/zinc/06/89/64/364068964.db2.gz BOLCEYWUYSTOAK-CIUDSAMLSA-N -1 0 291.294 2.494 50 0 CEAARM C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000237337765 370711834 /nfs/dbraw/zinc/71/18/34/370711834.db2.gz KBADBJSRCCXDNQ-WDEREUQCSA-N -1 0 279.311 2.252 50 0 CEAARM C[C@@H](CN(C)C(=O)[C@H]1SCCc2sccc21)C(=O)[O-] ZINC000237397227 370717756 /nfs/dbraw/zinc/71/77/56/370717756.db2.gz OKQSVBVVWOCOTR-KWQFWETISA-N -1 0 299.417 2.258 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)CCc2cccs2)o1 ZINC000094554408 364277112 /nfs/dbraw/zinc/27/71/12/364277112.db2.gz XQOYDKJYCVUSNX-UHFFFAOYSA-N -1 0 279.317 2.288 50 0 CEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1cccc(F)c1F ZINC000094711837 364289909 /nfs/dbraw/zinc/28/99/09/364289909.db2.gz KKUFKZQHKYTTOZ-VIFPVBQESA-N -1 0 285.290 2.219 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000095424082 364370083 /nfs/dbraw/zinc/37/00/83/364370083.db2.gz KJJWNQWLTVOYHL-LLVKDONJSA-N -1 0 291.322 2.181 50 0 CEAARM Cc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])o1 ZINC000095464009 364386703 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/nfs/dbraw/zinc/22/30/27/170223027.db2.gz JKFQDKGIXAAERF-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2ccccc2SC)cn1 ZINC000006706674 170230910 /nfs/dbraw/zinc/23/09/10/170230910.db2.gz PIMQPKJFFDWHBU-UHFFFAOYSA-N -1 0 297.405 2.426 50 0 CEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccco1 ZINC000006743898 170238975 /nfs/dbraw/zinc/23/89/75/170238975.db2.gz MLLLVCKHMCLGSF-UHFFFAOYSA-N -1 0 275.260 2.304 50 0 CEAARM O=C([O-])c1ccc(CSc2ncnc3[nH]cnc32)cc1 ZINC000008577209 170341507 /nfs/dbraw/zinc/34/15/07/170341507.db2.gz FPPDKMYQDQLQDV-UHFFFAOYSA-N -1 0 286.316 2.343 50 0 biogenic,in-vitro CEAARM COCCOc1ccc(C(=O)[O-])cc1Br ZINC000008722855 170349387 /nfs/dbraw/zinc/34/93/87/170349387.db2.gz IOAQVPYHRCQXSZ-UHFFFAOYSA-N -1 0 275.098 2.173 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000009051288 170362154 /nfs/dbraw/zinc/36/21/54/170362154.db2.gz IFHJESOBMXZCLD-GFCCVEGCSA-N -1 0 272.304 2.105 50 0 CEAARM Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000009378664 170374927 /nfs/dbraw/zinc/37/49/27/170374927.db2.gz BNEMRGMSMWAPCG-UHFFFAOYSA-N -1 0 289.719 2.013 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2ccccc2)cc1 ZINC000013091826 170531168 /nfs/dbraw/zinc/53/11/68/170531168.db2.gz GQKZUGCWGATKQZ-UHFFFAOYSA-N -1 0 255.273 2.315 50 0 CEAARM O=C([O-])C1(NC(=O)c2cc(Cl)ccn2)CCCCC1 ZINC000035221567 172063593 /nfs/dbraw/zinc/06/35/93/172063593.db2.gz PLJANDFRQXTPBJ-UHFFFAOYSA-N -1 0 282.727 2.252 50 0 CEAARM COc1cncc(C(=O)Nc2ccccc2)c1C(=O)[O-] ZINC000035270347 172092569 /nfs/dbraw/zinc/09/25/69/172092569.db2.gz SIYISUPHWCIBIW-UHFFFAOYSA-N -1 0 272.260 2.041 50 0 CEAARM CCc1nn2c(c1-c1ccc(C)cc1)NC(=O)C[C@H]2C(=O)[O-] ZINC000035324947 172126827 /nfs/dbraw/zinc/12/68/27/172126827.db2.gz KBWGHDKMLRGIMS-LBPRGKRZSA-N -1 0 299.330 2.389 50 0 CEAARM O=C([O-])c1occc1CN1C(=O)Cc2ccccc21 ZINC000037333350 173134691 /nfs/dbraw/zinc/13/46/91/173134691.db2.gz VOWVIUIGYGGTCY-UHFFFAOYSA-N -1 0 257.245 2.067 50 0 CEAARM Cc1oc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C 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NCUVDHJWGOPYTA-ZCFIWIBFSA-N -1 0 289.286 2.191 50 0 CEAARM O=C([O-])/C=C/c1ccc(I)cc1 ZINC000002168943 304023669 /nfs/dbraw/zinc/02/36/69/304023669.db2.gz NIDLJAPEZBFHGP-ZZXKWVIFSA-N -1 0 274.057 2.389 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccncc2F)c2ccccc21 ZINC000131972496 187599997 /nfs/dbraw/zinc/59/99/97/187599997.db2.gz SVGKZIZMCDLFDT-LLVKDONJSA-N -1 0 286.262 2.049 50 0 CEAARM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000072913327 363181312 /nfs/dbraw/zinc/18/13/12/363181312.db2.gz IXQJWICIMJGOLI-UHFFFAOYSA-N -1 0 294.380 2.293 50 0 CEAARM Cn1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC000170642050 188680242 /nfs/dbraw/zinc/68/02/42/188680242.db2.gz XHUCOFIDEWGXEQ-UHFFFAOYSA-N -1 0 274.305 2.102 50 0 CEAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)on2)c(C)c1C ZINC000074935913 363423522 /nfs/dbraw/zinc/42/35/22/363423522.db2.gz DFIRFLIIQOMYCT-UHFFFAOYSA-N -1 0 296.348 2.409 50 0 CEAARM O=C([O-])c1cnnn1-c1cccc(Cl)c1Cl ZINC000036917453 540066266 /nfs/dbraw/zinc/06/62/66/540066266.db2.gz WUIDAUFKYSHADN-UHFFFAOYSA-N -1 0 258.064 2.272 50 0 CEAARM COC(=O)c1ccc([S@](=O)[O-])c2ccccc12 ZINC000675062819 540082678 /nfs/dbraw/zinc/08/26/78/540082678.db2.gz QEUGHCCOWTYNHA-UHFFFAOYSA-N -1 0 250.275 2.207 50 0 CEAARM O=C([O-])CCC(=O)NCC1(c2ccccc2)CCCC1 ZINC000000319517 304045016 /nfs/dbraw/zinc/04/50/16/304045016.db2.gz ASDYKWHZTDSYNG-UHFFFAOYSA-N -1 0 275.348 2.479 50 0 CEAARM Cc1oc(CNC(=O)[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC000299738376 538793811 /nfs/dbraw/zinc/79/38/11/538793811.db2.gz LBPXUBUUTPRPCX-SNVBAGLBSA-N -1 0 263.293 2.259 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](F)C(=O)[O-])C1 ZINC000258655205 540343863 /nfs/dbraw/zinc/34/38/63/540343863.db2.gz USDHYMVRZDTLHG-RKDXNWHRSA-N -1 0 261.293 2.056 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000136501722 366515125 /nfs/dbraw/zinc/51/51/25/366515125.db2.gz BXDPUVZBYGWYRZ-BFHYXJOUSA-N -1 0 291.322 2.395 50 0 CEAARM COc1ccc([C@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000136165132 366500504 /nfs/dbraw/zinc/50/05/04/366500504.db2.gz BWONFWYEXVCDRH-AAEUAGOBSA-N -1 0 291.347 2.122 50 0 CEAARM CC(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1O ZINC000136218787 366503566 /nfs/dbraw/zinc/50/35/66/366503566.db2.gz JLUBOLPQDDASML-JTQLQIEISA-N -1 0 285.727 2.275 50 0 CEAARM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000263560834 540427120 /nfs/dbraw/zinc/42/71/20/540427120.db2.gz RIUCLDHJQPVEHI-KCJUWKMLSA-N -1 0 297.738 2.391 50 0 CEAARM O=C([O-])[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000008467269 304096201 /nfs/dbraw/zinc/09/62/01/304096201.db2.gz ACDLFRQZDTZESK-ZDUSSCGKSA-N -1 0 255.273 2.242 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000000061381 304099602 /nfs/dbraw/zinc/09/96/02/304099602.db2.gz CNNOPBWVYCWAAF-QWHCGFSZSA-N -1 0 271.316 2.243 50 0 CEAARM C[C@H](CCc1ccc(F)c(F)c1)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299750791 200856166 /nfs/dbraw/zinc/85/61/66/200856166.db2.gz OKFIDSPGXXZNDH-MIMYLULJSA-N -1 0 297.301 2.123 50 0 CEAARM Cc1oc(C(C)(C)C)c(CN2CCOCC2)c1C(=O)[O-] ZINC000000033624 361118879 /nfs/dbraw/zinc/11/88/79/361118879.db2.gz MUHKFQBTMMESMA-UHFFFAOYSA-N -1 0 281.352 2.416 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)CCCc1cccs1 ZINC000000016164 361116881 /nfs/dbraw/zinc/11/68/81/361116881.db2.gz GHRLHKHZERTTHD-LLVKDONJSA-N -1 0 267.350 2.146 50 0 CEAARM Cc1nn(C(C)(C)C)c(C(=O)[O-])c1Br ZINC000000122227 361131658 /nfs/dbraw/zinc/13/16/58/361131658.db2.gz NFYDYPPBOBZBRB-UHFFFAOYSA-N -1 0 261.119 2.407 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000098766 361128081 /nfs/dbraw/zinc/12/80/81/361128081.db2.gz JEBAYPJZLRCTRV-AATRIKPKSA-N -1 0 259.183 2.285 50 0 CEAARM CC(C)(C)C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000000465081 361177698 /nfs/dbraw/zinc/17/76/98/361177698.db2.gz AMCJLZIJFLLSOW-UHFFFAOYSA-N -1 0 280.349 2.244 50 0 CEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCCC1 ZINC000000571689 361188267 /nfs/dbraw/zinc/18/82/67/361188267.db2.gz BUVLKOKKXWRHSG-UHFFFAOYSA-N -1 0 296.392 2.121 50 0 CEAARM CSc1nc2cc(S(=O)(=O)[O-])ccc2s1 ZINC000001601715 361211154 /nfs/dbraw/zinc/21/11/54/361211154.db2.gz OGUZTNRCJXGCDL-UHFFFAOYSA-N -1 0 261.349 2.265 50 0 CEAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001638000 361213921 /nfs/dbraw/zinc/21/39/21/361213921.db2.gz NSJDRLWFFAWSFP-NSHDSACASA-N -1 0 251.282 2.166 50 0 CEAARM CCOC(=O)COC(=O)c1cc(Cl)cc(Cl)c1O ZINC000002266556 361231460 /nfs/dbraw/zinc/23/14/60/361231460.db2.gz WWFSTNARZQICRU-UHFFFAOYSA-N -1 0 293.102 2.419 50 0 CEAARM CC(C)[C@H](NC(=O)N[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000002431918 361234259 /nfs/dbraw/zinc/23/42/59/361234259.db2.gz OIWORGWTVTYVFD-JQWIXIFHSA-N -1 0 264.325 2.156 50 0 CEAARM O=C([O-])[C@@H]1[C@H](NC(=O)OCc2ccccc2)[C@H]2C=C[C@@H]1C2 ZINC000002387035 361234299 /nfs/dbraw/zinc/23/42/99/361234299.db2.gz DGRPAZJZBQTEPY-ZOBORPQBSA-N -1 0 287.315 2.188 50 0 CEAARM Cn1cc(-c2ccn(Cc3cccc(C(=O)[O-])c3)n2)cn1 ZINC000002538597 361239573 /nfs/dbraw/zinc/23/95/73/361239573.db2.gz NXFOKYXDASMLQQ-UHFFFAOYSA-N -1 0 282.303 2.030 50 0 CEAARM CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)[O-])cc1 ZINC000002575591 361241544 /nfs/dbraw/zinc/24/15/44/361241544.db2.gz VQZBMQVKGKMEKR-UHFFFAOYSA-N -1 0 284.271 2.235 50 0 CEAARM CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])ccc1O ZINC000002582950 361242151 /nfs/dbraw/zinc/24/21/51/361242151.db2.gz XYZXKCPZRILCCL-UHFFFAOYSA-N -1 0 253.254 2.437 50 0 CEAARM Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-] ZINC000003436146 361280303 /nfs/dbraw/zinc/28/03/03/361280303.db2.gz QUEHYZPROBRWIP-UHFFFAOYSA-N -1 0 297.376 2.304 50 0 CEAARM NNc1ccc(Oc2ccccc2)c(S(=O)(=O)[O-])c1 ZINC000002895817 361257298 /nfs/dbraw/zinc/25/72/98/361257298.db2.gz DTCQHMSNMRTNQT-UHFFFAOYSA-N -1 0 280.305 2.011 50 0 CEAARM O=C1CCCN1C[P@@](=O)([O-])C1Cc2ccccc2C1 ZINC000004361842 361313881 /nfs/dbraw/zinc/31/38/81/361313881.db2.gz CYOQDPNKMBWBIC-UHFFFAOYSA-N -1 0 279.276 2.004 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000238039442 304103667 /nfs/dbraw/zinc/10/36/67/304103667.db2.gz YDSJOJQIPYUWBN-ZDUSSCGKSA-N -1 0 290.294 2.386 50 0 CEAARM CC[C@H](OC1CCCC1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236994589 370674309 /nfs/dbraw/zinc/67/43/09/370674309.db2.gz QQVRKTDYSGOUMC-WFASDCNBSA-N -1 0 283.368 2.047 50 0 CEAARM CCOc1c(F)cccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237021494 370679742 /nfs/dbraw/zinc/67/97/42/370679742.db2.gz LHCCESARAYVGIF-HNNXBMFYSA-N -1 0 295.310 2.161 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000237052264 370684879 /nfs/dbraw/zinc/68/48/79/370684879.db2.gz DHSGQLQICDGXKW-KGLIPLIRSA-N -1 0 275.348 2.422 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000005422569 361331890 /nfs/dbraw/zinc/33/18/90/361331890.db2.gz YKCGDGCCAXYKJI-FIQHERPVSA-N -1 0 270.373 2.364 50 0 CEAARM CC(C)(C(=O)NCCC(=O)[O-])c1cccc(Cl)c1 ZINC000082266053 363755157 /nfs/dbraw/zinc/75/51/57/363755157.db2.gz RJUTXAJWDKTHFE-UHFFFAOYSA-N -1 0 269.728 2.209 50 0 CEAARM O=c1c(Cl)c([O-])cnn1-c1cccc(Cl)c1 ZINC000006557320 361336778 /nfs/dbraw/zinc/33/67/78/361336778.db2.gz BCCRCLWNEZWPPW-UHFFFAOYSA-N -1 0 257.076 2.245 50 0 CEAARM Cc1nn(-c2ccccc2)c2ncc(C(=O)[O-])cc12 ZINC000012907603 361408050 /nfs/dbraw/zinc/40/80/50/361408050.db2.gz YDVRVCCBEKXNEY-UHFFFAOYSA-N -1 0 253.261 2.427 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000013170440 361422147 /nfs/dbraw/zinc/42/21/47/361422147.db2.gz PADVQWLDDRAWES-ZCRIDZFUSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1Cl ZINC000013173101 361423117 /nfs/dbraw/zinc/42/31/17/361423117.db2.gz MGMSISLCXOOZLP-VXGBXAGGSA-N -1 0 297.738 2.151 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000058266385 304105830 /nfs/dbraw/zinc/10/58/30/304105830.db2.gz VSDLBCQRDLKQIN-LBPRGKRZSA-N -1 0 259.309 2.002 50 0 CEAARM O=C([O-])C1(CC(=O)Nc2ccc(O)cc2)CCCC1 ZINC000013469743 361429732 /nfs/dbraw/zinc/42/97/32/361429732.db2.gz PMHNDEPXUDKVJX-UHFFFAOYSA-N -1 0 263.293 2.366 50 0 CEAARM CC[C@H](C)NC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013034433 361416617 /nfs/dbraw/zinc/41/66/17/361416617.db2.gz LICBKNGZNYZAQX-QMMMGPOBSA-N -1 0 285.727 2.332 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)Cc2cccc(F)c2)cc1 ZINC000013092183 361418478 /nfs/dbraw/zinc/41/84/78/361418478.db2.gz ZUDTXEBMZNMYCP-UHFFFAOYSA-N -1 0 287.290 2.383 50 0 CEAARM CC(C)(C)C(=O)Nc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000014839353 361462001 /nfs/dbraw/zinc/46/20/01/361462001.db2.gz OLRMUYUNAKTJOU-UHFFFAOYSA-N -1 0 292.335 2.475 50 0 CEAARM COC(=O)c1n[n-]n(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000015924220 361480127 /nfs/dbraw/zinc/48/01/27/361480127.db2.gz IFKBNDRFLQMQID-UHFFFAOYSA-N -1 0 288.090 2.066 50 0 CEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cn1 ZINC000017009545 361502232 /nfs/dbraw/zinc/50/22/32/361502232.db2.gz JIJGVZNDHBNZHB-UHFFFAOYSA-N -1 0 285.756 2.357 50 0 CEAARM Cc1cccc(NC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000019982254 361573260 /nfs/dbraw/zinc/57/32/60/361573260.db2.gz BLFBFDFPQYJSBJ-UHFFFAOYSA-N -1 0 262.309 2.324 50 0 CEAARM O=C([O-])[C@@H]1CCCCc2nnc(-c3ccccc3)n21 ZINC000169676597 304107576 /nfs/dbraw/zinc/10/75/76/304107576.db2.gz SCUMKCYXTIDETP-NSHDSACASA-N -1 0 257.293 2.297 50 0 CEAARM Cc1ccsc1CNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000028901159 361677791 /nfs/dbraw/zinc/67/77/91/361677791.db2.gz JQZJQDSTRPJYBA-WDEREUQCSA-N -1 0 279.361 2.340 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc3cc[nH]c32)C1 ZINC000088731258 363916092 /nfs/dbraw/zinc/91/60/92/363916092.db2.gz FVIYXLVVTUXGIM-OAHLLOKOSA-N -1 0 272.304 2.105 50 0 CEAARM CSC[C@@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237354473 370715140 /nfs/dbraw/zinc/71/51/40/370715140.db2.gz OSLQFYSAQAKVOF-GHMZBOCLSA-N -1 0 273.398 2.089 50 0 CEAARM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@@H]1CCCO1 ZINC000237615195 370738414 /nfs/dbraw/zinc/73/84/14/370738414.db2.gz KBMSIJJBPMDAMR-FZMZJTMJSA-N -1 0 291.347 2.001 50 0 CEAARM Cc1cc(C(=O)NC2CC=CC2)cc(C)c1OCC(=O)[O-] ZINC000237714393 370746482 /nfs/dbraw/zinc/74/64/82/370746482.db2.gz BFVPOWBVPUAPHD-UHFFFAOYSA-N -1 0 289.331 2.215 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000238066809 370768406 /nfs/dbraw/zinc/76/84/06/370768406.db2.gz VAPHTQHLAJXVHM-SECBINFHSA-N -1 0 287.768 2.410 50 0 CEAARM Cc1nnc(CN(C)[C@H](C(=O)[O-])c2cc(F)ccc2C)o1 ZINC000095355377 364344694 /nfs/dbraw/zinc/34/46/94/364344694.db2.gz RBZBJFKOYCZHNJ-ZDUSSCGKSA-N -1 0 293.298 2.083 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000097228508 364481053 /nfs/dbraw/zinc/48/10/53/364481053.db2.gz LPKFASHKALFZMJ-QWHCGFSZSA-N -1 0 279.311 2.252 50 0 CEAARM CCCCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100534625 364547405 /nfs/dbraw/zinc/54/74/05/364547405.db2.gz KELCGLUBNOJRTE-UHFFFAOYSA-N -1 0 288.347 2.164 50 0 CEAARM CC(C)n1[n-]nc(C(=O)Nc2ccccc2)c1=S ZINC000101392560 364556466 /nfs/dbraw/zinc/55/64/66/364556466.db2.gz OQKNFFFJFPDOJX-UHFFFAOYSA-N -1 0 262.338 2.400 50 0 CEAARM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](C(=O)[O-])C2 ZINC000101714749 364571465 /nfs/dbraw/zinc/57/14/65/364571465.db2.gz HKXICUDOIXLKLJ-OWUUHHOZSA-N -1 0 255.314 2.249 50 0 CEAARM CC(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])C(C)C)c1 ZINC000220432708 189723303 /nfs/dbraw/zinc/72/33/03/189723303.db2.gz WTDVKGALNFVNBJ-ZDUSSCGKSA-N -1 0 277.320 2.118 50 0 CEAARM O=C([O-])[C@@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 ZINC000013434806 304129678 /nfs/dbraw/zinc/12/96/78/304129678.db2.gz NFMIGCJRUKDZPM-AWEZNQCLSA-N -1 0 289.331 2.446 50 0 CEAARM CCN(CC(=O)[O-])C(=O)CC(C)(C)c1ccccc1 ZINC000225459614 189752507 /nfs/dbraw/zinc/75/25/07/189752507.db2.gz WBMQWMXRXJJJHK-UHFFFAOYSA-N -1 0 263.337 2.287 50 0 CEAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000195541470 370138880 /nfs/dbraw/zinc/13/88/80/370138880.db2.gz YORTYARKLXXTJU-SFYZADRCSA-N -1 0 288.130 2.298 50 0 CEAARM CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000195551800 370141106 /nfs/dbraw/zinc/14/11/06/370141106.db2.gz JGTRZNHAEQFMIO-AGIUHOORSA-N -1 0 279.311 2.299 50 0 CEAARM C/C=C(\C)C(=O)Nc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000221725710 370244644 /nfs/dbraw/zinc/24/46/44/370244644.db2.gz LSLHVLLEBFIBHE-XCVCLJGOSA-N -1 0 285.303 2.475 50 0 CEAARM CC[C@@H](C)c1cc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)on1 ZINC000225459064 370296798 /nfs/dbraw/zinc/29/67/98/370296798.db2.gz SHSOPTIKRZWIJW-PTRXPTGYSA-N -1 0 282.340 2.417 50 0 CEAARM Cc1c(Cl)cccc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000252483259 371442812 /nfs/dbraw/zinc/44/28/12/371442812.db2.gz DYBZZAOSFVULRR-IAZYJMLFSA-N -1 0 279.723 2.051 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000263316567 371934467 /nfs/dbraw/zinc/93/44/67/371934467.db2.gz QKWFDQCXZIZWAG-KGYLQXTDSA-N -1 0 261.321 2.030 50 0 CEAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2csc(C)c2C)C1 ZINC000262866564 371917205 /nfs/dbraw/zinc/91/72/05/371917205.db2.gz ASVAJKQUSKZDGE-MNOVXSKESA-N -1 0 297.376 2.069 50 0 CEAARM Cc1nc2c(c(N3C[C@H](C(=O)[O-])C[C@H](C)C3)n1)CCCC2 ZINC000263246382 371932868 /nfs/dbraw/zinc/93/28/68/371932868.db2.gz SGEZGRCOJYMGJZ-CMPLNLGQSA-N -1 0 289.379 2.211 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237631100 189884939 /nfs/dbraw/zinc/88/49/39/189884939.db2.gz SKKKMAAESJDBSI-GJZGRUSLSA-N -1 0 287.359 2.422 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000045922876 304174491 /nfs/dbraw/zinc/17/44/91/304174491.db2.gz YVONMGVOEXRIGB-WCQYABFASA-N -1 0 279.723 2.477 50 0 CEAARM O=C([O-])[C@H]1CCOc2ccc(Br)cc21 ZINC000096952296 304192954 /nfs/dbraw/zinc/19/29/54/304192954.db2.gz DHBMXWGCQVIQMR-ZETCQYMHSA-N -1 0 257.083 2.400 50 0 CEAARM C[C@@H]1CC=C2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000226085118 296264282 /nfs/dbraw/zinc/26/42/82/296264282.db2.gz CZMRELCYGYQFCK-JIMOISOXSA-N -1 0 285.299 2.086 50 0 CEAARM C[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000265246372 190168779 /nfs/dbraw/zinc/16/87/79/190168779.db2.gz MZMMMEXDWLZKHE-PELKAZGASA-N -1 0 287.718 2.326 50 0 CEAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1cc2ccccc2o1 ZINC000072463396 304212339 /nfs/dbraw/zinc/21/23/39/304212339.db2.gz ANDMIBPRKRRSGX-OAHLLOKOSA-N -1 0 297.314 2.340 50 0 CEAARM C[C@H](Oc1cccc(/C=C/c2ccncn2)c1)C(=O)[O-] ZINC000346917199 218057895 /nfs/dbraw/zinc/05/78/95/218057895.db2.gz KCCGAEWKRGCJFC-QRGHLMKCSA-N -1 0 270.288 2.499 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cccc3)c2)C1 ZINC000299741558 379125226 /nfs/dbraw/zinc/12/52/26/379125226.db2.gz GIEJLDWZLISLBI-KRWDZBQOSA-N -1 0 298.342 2.414 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)C1 ZINC000299740605 379125466 /nfs/dbraw/zinc/12/54/66/379125466.db2.gz ANAIIZTUBXSJFD-LLVKDONJSA-N -1 0 291.322 2.181 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2cc3ccccc3o2)C1 ZINC000299743305 379125789 /nfs/dbraw/zinc/12/57/89/379125789.db2.gz NDHVAVJWSHMCFT-GFCCVEGCSA-N -1 0 287.315 2.299 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000299752443 379127117 /nfs/dbraw/zinc/12/71/17/379127117.db2.gz UDSKZPRIIKEFGB-XHNCKOQMSA-N -1 0 296.392 2.339 50 0 CEAARM O=C([O-])c1cc(C2CC2)nc2cc(C(F)(F)F)nn21 ZINC000223251425 304224006 /nfs/dbraw/zinc/22/40/06/304224006.db2.gz ZVKGQGVAEAGZFD-UHFFFAOYSA-N -1 0 271.198 2.324 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000238030086 304237296 /nfs/dbraw/zinc/23/72/96/304237296.db2.gz GSNHZBGXCQUNIR-MCIONIFRSA-N -1 0 289.331 2.072 50 0 CEAARM C[C@@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1 ZINC000000477051 169651448 /nfs/dbraw/zinc/65/14/48/169651448.db2.gz HJXDUHAIFLRBKK-ZCFIWIBFSA-N -1 0 294.660 2.346 50 0 CEAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccco2)c1 ZINC000000308827 304263635 /nfs/dbraw/zinc/26/36/35/304263635.db2.gz XSVZJNORSNOXLH-UHFFFAOYSA-N -1 0 290.300 2.105 50 0 CEAARM O=C([O-])c1ccnc(Cl)c1I ZINC000088611766 304273793 /nfs/dbraw/zinc/27/37/93/304273793.db2.gz FWQJOBJJNDWGCO-UHFFFAOYSA-N -1 0 283.452 2.038 50 0 CEAARM O=C([O-])c1cnc(Cl)c(I)c1 ZINC000016698716 304277059 /nfs/dbraw/zinc/27/70/59/304277059.db2.gz PGYDTSFRXGYMNF-UHFFFAOYSA-N -1 0 283.452 2.038 50 0 CEAARM O=C([O-])c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000096402414 256769573 /nfs/dbraw/zinc/76/95/73/256769573.db2.gz OYASZBGOFNGOOW-UHFFFAOYSA-N -1 0 271.276 2.238 50 0 CEAARM O=C([O-])c1cnc2sc(Cc3ccccc3)cn2c1=O ZINC000022220790 304279414 /nfs/dbraw/zinc/27/94/14/304279414.db2.gz PMKPYSURELAEQU-UHFFFAOYSA-N -1 0 286.312 2.045 50 0 CEAARM C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000000538212 169664549 /nfs/dbraw/zinc/66/45/49/169664549.db2.gz YXUPPHQYKIMSGP-LURJTMIESA-N -1 0 276.214 2.300 50 0 CEAARM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000262054888 131187577 /nfs/dbraw/zinc/18/75/77/131187577.db2.gz CFRSLZKZPUBHOR-KGLIPLIRSA-N -1 0 291.347 2.176 50 0 CEAARM Cc1ccc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])s1 ZINC000263119872 131282769 /nfs/dbraw/zinc/28/27/69/131282769.db2.gz WZAFMUDBKBXOLY-VHRBIJSZSA-N -1 0 293.388 2.311 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)c(F)c2)CC1 ZINC000263511106 131295333 /nfs/dbraw/zinc/29/53/33/131295333.db2.gz CINVYDNBENGMET-XYPYZODXSA-N -1 0 297.301 2.472 50 0 CEAARM CCOc1ccccc1/C=C\C(=O)N(CC(=O)[O-])C1CC1 ZINC000215291433 394449128 /nfs/dbraw/zinc/44/91/28/394449128.db2.gz LQTAIWQWHVEFMU-YFHOEESVSA-N -1 0 289.331 2.174 50 0 CEAARM CC1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)NC2CCCCC2)C1 ZINC000000377615 394449211 /nfs/dbraw/zinc/44/92/11/394449211.db2.gz VQURAOWMDIMNCC-OLZOCXBDSA-N -1 0 265.353 2.492 50 0 CEAARM CC(C)(C)c1ncsc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236768523 394487328 /nfs/dbraw/zinc/48/73/28/394487328.db2.gz VLNIDXHGVJLKFQ-CQSZACIVSA-N -1 0 296.392 2.377 50 0 CEAARM O=C([O-])c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1 ZINC000000062085 394447768 /nfs/dbraw/zinc/44/77/68/394447768.db2.gz ZITMAWACKWDYKG-UHFFFAOYSA-N -1 0 296.282 2.050 50 0 CEAARM Cc1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000101647308 400252829 /nfs/dbraw/zinc/25/28/29/400252829.db2.gz UYMRLYWWRLAAJT-CQSZACIVSA-N -1 0 294.310 2.239 50 0 CEAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263319585 154055284 /nfs/dbraw/zinc/05/52/84/154055284.db2.gz NFVHBNPBGVCFNC-VXGBXAGGSA-N -1 0 295.310 2.059 50 0 CEAARM O=C([O-])C1CCC(Nc2cccc3c2OCC(=O)N3)CC1 ZINC000263396348 154075799 /nfs/dbraw/zinc/07/57/99/154075799.db2.gz GTFWLSKCIWTMPC-UHFFFAOYSA-N -1 0 290.319 2.073 50 0 CEAARM Cc1cc(F)ccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263530425 154118015 /nfs/dbraw/zinc/11/80/15/154118015.db2.gz WFHFUHHRERUXMF-QWRGUYRKSA-N -1 0 279.311 2.459 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC000165182634 162340228 /nfs/dbraw/zinc/34/02/28/162340228.db2.gz IKLIDWVPBJUGBD-GFCCVEGCSA-N -1 0 280.299 2.080 50 0 CEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1C ZINC000040488301 292517669 /nfs/dbraw/zinc/51/76/69/292517669.db2.gz GMKGGDSCSFXAOA-UKRRQHHQSA-N -1 0 291.347 2.006 50 0 CEAARM COc1cc(OC)nc([N-]c2nc(C)c(C(C)=O)s2)n1 ZINC000002827985 169835344 /nfs/dbraw/zinc/83/53/44/169835344.db2.gz OZQAWXKJDZCJBQ-UHFFFAOYSA-N -1 0 294.336 2.205 50 0 CEAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1 ZINC000005925533 170155993 /nfs/dbraw/zinc/15/59/93/170155993.db2.gz GMHJQAAHHUILNI-UHFFFAOYSA-N -1 0 284.362 2.261 50 0 CEAARM O=C([O-])[C@@H](C(=O)Oc1ccccc1)c1ccccc1 ZINC000005934157 170157590 /nfs/dbraw/zinc/15/75/90/170157590.db2.gz IDJNJFYWPMDFNB-ZDUSSCGKSA-N -1 0 256.257 2.460 50 0 CEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCc2ccncc2)C1 ZINC000006715413 170231493 /nfs/dbraw/zinc/23/14/93/170231493.db2.gz ROHOOFAPRLWWHG-KGLIPLIRSA-N -1 0 288.347 2.145 50 0 CEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000006741034 170236829 /nfs/dbraw/zinc/23/68/29/170236829.db2.gz WAMWBAGIRLWRDN-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000006975247 170259863 /nfs/dbraw/zinc/25/98/63/170259863.db2.gz MLUNKKBWHYIZLR-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CCCCSc1nc(C)c(CC(=O)[O-])c(=O)[nH]1 ZINC000008666381 170344873 /nfs/dbraw/zinc/34/48/73/170344873.db2.gz ZELCMFBXJZKANU-UHFFFAOYSA-N -1 0 256.327 2.010 50 0 CEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccoc2)c1 ZINC000008945966 170359835 /nfs/dbraw/zinc/35/98/35/170359835.db2.gz INORRFOBEITOKK-UHFFFAOYSA-N -1 0 295.316 2.031 50 0 CEAARM O=C([O-])CCCCCn1cnc2ccccc2c1=O ZINC000009420509 170376238 /nfs/dbraw/zinc/37/62/38/170376238.db2.gz UKWYDYWBVOVLJW-UHFFFAOYSA-N -1 0 260.293 2.042 50 0 CEAARM CSCC[C@H](NC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000011866892 170450538 /nfs/dbraw/zinc/45/05/38/170450538.db2.gz XAGVSTMCXVQXBC-JTQLQIEISA-N -1 0 293.344 2.369 50 0 CEAARM CC(C)C[C@@H](NC(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000011890312 170453963 /nfs/dbraw/zinc/45/39/63/170453963.db2.gz BMPTYIBUFGHYKS-LLVKDONJSA-N -1 0 271.263 2.194 50 0 CEAARM Cc1cc(=O)c(C(=O)[O-])cn1Nc1ccc(Cl)cc1 ZINC000020366134 171164682 /nfs/dbraw/zinc/16/46/82/171164682.db2.gz HOPVESQGJKYZRE-UHFFFAOYSA-N -1 0 278.695 2.384 50 0 CEAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000021009075 171285807 /nfs/dbraw/zinc/28/58/07/171285807.db2.gz IXOJQIORXLDCMZ-UHFFFAOYSA-N -1 0 282.346 2.147 50 0 CEAARM COc1cccc(CNc2ncc(C(=O)[O-])c(C)n2)c1 ZINC000021778451 171322098 /nfs/dbraw/zinc/32/20/98/171322098.db2.gz FMQRIAADTWJNEH-UHFFFAOYSA-N -1 0 273.292 2.104 50 0 CEAARM CCOC(=O)c1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000021779219 171322243 /nfs/dbraw/zinc/32/22/43/171322243.db2.gz XHRNFAYTATUWCI-UHFFFAOYSA-N -1 0 258.233 2.258 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cn1C ZINC000021940672 171337929 /nfs/dbraw/zinc/33/79/29/171337929.db2.gz UVVCLFKTZIEMGD-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM COc1ccc(-c2nc(N)sc2CC(=O)[O-])cc1OC ZINC000022688710 171395609 /nfs/dbraw/zinc/39/56/09/171395609.db2.gz XXKKPUORKCZWSU-UHFFFAOYSA-N -1 0 294.332 2.037 50 0 CEAARM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1ccco1 ZINC000035739910 172394026 /nfs/dbraw/zinc/39/40/26/172394026.db2.gz RICPNEUFYNRIAV-SECBINFHSA-N -1 0 259.261 2.469 50 0 CEAARM C[C@@](NC(=O)c1cc2ccccc2[nH]1)(C(=O)[O-])C1CC1 ZINC000037366051 173155343 /nfs/dbraw/zinc/15/53/43/173155343.db2.gz BQPZCTGVCJHTIP-HNNXBMFYSA-N -1 0 272.304 2.151 50 0 CEAARM COc1ccccc1/C=C/C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037410711 173187523 /nfs/dbraw/zinc/18/75/23/173187523.db2.gz INFWFBNUILNYEJ-LXKVQUBZSA-N -1 0 289.331 2.174 50 0 CEAARM Cc1cc2ccccc2n1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000037432649 173202354 /nfs/dbraw/zinc/20/23/54/173202354.db2.gz OZKSWVMWCHAJBU-HNNXBMFYSA-N -1 0 288.347 2.175 50 0 CEAARM CCOc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588958 173536585 /nfs/dbraw/zinc/53/65/85/173536585.db2.gz LQTAIWQWHVEFMU-JXMROGBWSA-N -1 0 289.331 2.174 50 0 CEAARM Cc1cc(C)cc([C@H](NC(=O)[C@@H]2C[C@H]2C)C(=O)[O-])c1 ZINC000653666344 415068452 /nfs/dbraw/zinc/06/84/52/415068452.db2.gz XPNHETLLJSUUGJ-RTXFEEFZSA-N -1 0 261.321 2.201 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2)c1-c1ccccn1 ZINC000045891924 175385596 /nfs/dbraw/zinc/38/55/96/175385596.db2.gz XUQGBFMDECNYGW-UHFFFAOYSA-N -1 0 266.260 2.028 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ccco1 ZINC000050921578 175520370 /nfs/dbraw/zinc/52/03/70/175520370.db2.gz DEGWUGZWMHNVDH-GFCCVEGCSA-N -1 0 279.336 2.458 50 0 CEAARM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000054309630 175557216 /nfs/dbraw/zinc/55/72/16/175557216.db2.gz ABMIUVZZSPTYHO-ZETCQYMHSA-N -1 0 275.226 2.156 50 0 CEAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)N2CCCC2)cc1 ZINC000057604277 175600055 /nfs/dbraw/zinc/60/00/55/175600055.db2.gz ZIIDARIRTZGNCN-CYBMUJFWSA-N -1 0 291.347 2.266 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1cc2ccccc2[nH]1 ZINC000070309561 175886846 /nfs/dbraw/zinc/88/68/46/175886846.db2.gz MNNWUASEAVVCCF-VIFPVBQESA-N -1 0 260.293 2.151 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)c(F)c1 ZINC000071327482 176123847 /nfs/dbraw/zinc/12/38/47/176123847.db2.gz DNNBAOFQBFMIEW-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM C[C@@H](C(=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000071863582 176280794 /nfs/dbraw/zinc/28/07/94/176280794.db2.gz CWDDDCUAHKFSJQ-NXEZZACHSA-N -1 0 257.330 2.354 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000037517369 260113556 /nfs/dbraw/zinc/11/35/56/260113556.db2.gz YMGHHZVRIOHUOF-VHSXEESVSA-N -1 0 287.237 2.042 50 0 CEAARM CC(=O)Nc1cc(F)c(Br)cc1C(=O)[O-] ZINC000216709424 278185289 /nfs/dbraw/zinc/18/52/89/278185289.db2.gz QVUWRQXUTIVZET-UHFFFAOYSA-N -1 0 276.061 2.245 50 0 CEAARM CC(=O)Nc1sc(Br)cc1C(=O)[O-] ZINC000040564476 278215125 /nfs/dbraw/zinc/21/51/25/278215125.db2.gz LWJIUZZIQCPFSM-UHFFFAOYSA-N -1 0 264.100 2.167 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000091304125 278415780 /nfs/dbraw/zinc/41/57/80/278415780.db2.gz MNUNPDQAOUQRMY-ZANVPECISA-N -1 0 255.314 2.108 50 0 CEAARM CC(C)=CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250531778 278658512 /nfs/dbraw/zinc/65/85/12/278658512.db2.gz UJSAZMMCLBAKRM-UTUOFQBUSA-N -1 0 251.326 2.197 50 0 CEAARM CC(C)[C@@H]1CN(c2ccncc2F)C[C@H]1C(=O)[O-] ZINC000091305427 280016593 /nfs/dbraw/zinc/01/65/93/280016593.db2.gz SKHMYEMNOUXGNX-VHSXEESVSA-N -1 0 252.289 2.014 50 0 CEAARM CC1(C)OC(=O)C(=C([O-])C2CCCCC2)C(=O)O1 ZINC000100667758 281398484 /nfs/dbraw/zinc/39/84/84/281398484.db2.gz SSRZDWMVPYKSSG-UHFFFAOYSA-N -1 0 254.282 2.215 50 0 CEAARM CC1CCC(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000006880649 281756400 /nfs/dbraw/zinc/75/64/00/281756400.db2.gz PUCNMHASSRPEKB-TYUFSLCMSA-N -1 0 265.353 2.348 50 0 CEAARM COc1cc(C)c(I)cc1C(=O)[O-] ZINC000068675316 294951519 /nfs/dbraw/zinc/95/15/19/294951519.db2.gz ZMSRDJONMBQQAD-UHFFFAOYSA-N -1 0 292.072 2.306 50 0 CEAARM COc1cccc(-n2c(C)cc(C)c(C(=O)[O-])c2=O)c1 ZINC000013655502 295280915 /nfs/dbraw/zinc/28/09/15/295280915.db2.gz GUIUQOJTHGDZMF-UHFFFAOYSA-N -1 0 273.288 2.161 50 0 CEAARM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCCC[C@@H]2CCC(=O)[O-])O1 ZINC000263434443 297377900 /nfs/dbraw/zinc/37/79/00/297377900.db2.gz OFXFKUAVXATSDF-FMCLSXCISA-N -1 0 283.368 2.046 50 0 CEAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@@H]1C(=O)[O-] ZINC000095512206 301015885 /nfs/dbraw/zinc/01/58/85/301015885.db2.gz XIBOIDUPOUQQED-GFCCVEGCSA-N -1 0 286.331 2.392 50 0 CEAARM Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000022145029 301217457 /nfs/dbraw/zinc/21/74/57/301217457.db2.gz SBKOERBWQZBUHY-CYBMUJFWSA-N -1 0 261.321 2.383 50 0 CEAARM Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)[O-] ZINC000044750175 301331357 /nfs/dbraw/zinc/33/13/57/301331357.db2.gz DMYCIRBSCFYQLA-UHFFFAOYSA-N -1 0 281.267 2.494 50 0 CEAARM Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)[O-])C=C[C@H]3C)cc1 ZINC000239135281 301624348 /nfs/dbraw/zinc/62/43/48/301624348.db2.gz KZKOJZDVUQSVKE-ZRJCITRHSA-N -1 0 299.326 2.007 50 0 CEAARM Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000262602306 302152759 /nfs/dbraw/zinc/15/27/59/302152759.db2.gz KCGONQWXSZVWFE-MRVWCRGKSA-N -1 0 273.332 2.032 50 0 CEAARM Cc1occc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000241316849 302875718 /nfs/dbraw/zinc/87/57/18/302875718.db2.gz LVKMHZIZTOTZDO-UHTWSYAYSA-N -1 0 277.320 2.446 50 0 CEAARM Cc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-] ZINC000044559936 328754425 /nfs/dbraw/zinc/75/44/25/328754425.db2.gz CKWUBJZNPBVLDO-UHFFFAOYSA-N -1 0 276.313 2.473 50 0 CEAARM CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262864543 517836952 /nfs/dbraw/zinc/83/69/52/517836952.db2.gz AYJJNYGXMDQZAA-FXAINCCUSA-N -1 0 293.285 2.288 50 0 CEAARM CC1=C[C@H](C)[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000239119536 520888944 /nfs/dbraw/zinc/88/89/44/520888944.db2.gz IUFYUZYEQQSJDA-BPNCWPANSA-N -1 0 299.326 2.477 50 0 CEAARM CC(=O)NC(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000100628032 526688688 /nfs/dbraw/zinc/68/86/88/526688688.db2.gz DLJHDXCTKIJSER-UHFFFAOYSA-N -1 0 281.311 2.257 50 0 CEAARM Cc1cc2nc(-c3nc4c(s3)CCCC4)cc(=O)n2[n-]1 ZINC000102563823 625404185 /nfs/dbraw/zinc/40/41/85/625404185.db2.gz ZBJTVTAIGSOALC-UHFFFAOYSA-N -1 0 286.360 2.333 50 0 CEAARM Cc1cc(C)c2c(nn3c2nc(C2CC2)cc3C(=O)[O-])n1 ZINC000013645556 624146231 /nfs/dbraw/zinc/14/62/31/624146231.db2.gz CUSKQZSOCLTZDM-UHFFFAOYSA-N -1 0 282.303 2.470 50 0 CEAARM O=C([O-])c1cc(Br)nc(N2CCCC2)c1 ZINC000725347813 811060465 /nfs/dbraw/zinc/06/04/65/811060465.db2.gz RJWAFCJLHXEQJB-UHFFFAOYSA-N -1 0 271.114 2.143 50 0 CEAARM CC(C)N(C[C@H]1C[C@H]1C)C(=O)c1cc(C(=O)[O-])co1 ZINC000095939861 185035027 /nfs/dbraw/zinc/03/50/27/185035027.db2.gz HBFMHLWORPCCSH-NXEZZACHSA-N -1 0 265.309 2.484 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CC=CCC1 ZINC000095969934 185048613 /nfs/dbraw/zinc/04/86/13/185048613.db2.gz AKCFAPDSDQOLKH-AWEZNQCLSA-N -1 0 273.332 2.456 50 0 CEAARM CCCn1nc(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000032508853 361740326 /nfs/dbraw/zinc/74/03/26/361740326.db2.gz CXNOJYLXCRIMFV-VXGBXAGGSA-N -1 0 293.367 2.431 50 0 CEAARM O=S(=O)([N-]c1nccs1)c1ccc2c(c1)CCC2 ZINC000032610504 361746512 /nfs/dbraw/zinc/74/65/12/361746512.db2.gz GSSFZTQGWNVNAV-UHFFFAOYSA-N -1 0 280.374 2.433 50 0 CEAARM O=C([O-])CS[C@@H]1CCC(=O)N1Cc1cccs1 ZINC000034438556 361790523 /nfs/dbraw/zinc/79/05/23/361790523.db2.gz UHTIBRXMOZBDJO-SNVBAGLBSA-N -1 0 271.363 2.014 50 0 CEAARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1ccnc1C ZINC000034925026 361795909 /nfs/dbraw/zinc/79/59/09/361795909.db2.gz IJNCJOZURTVITM-GQCTYLIASA-N -1 0 272.304 2.346 50 0 CEAARM O=C([O-])CCOc1cccc(I)c1 ZINC000036904156 361868110 /nfs/dbraw/zinc/86/81/10/361868110.db2.gz RWYHMFPPGLDKMC-UHFFFAOYSA-N -1 0 292.072 2.145 50 0 CEAARM C[C@H](NC(=O)CCC(=O)[O-])c1cc2ccccc2o1 ZINC000037794825 361940776 /nfs/dbraw/zinc/94/07/76/361940776.db2.gz JPKKGZIDNGEEHK-VIFPVBQESA-N -1 0 261.277 2.475 50 0 CEAARM O=C(c1c[nH]c2n[nH]c(=O)c-2c1)c1cc(Cl)ccc1[O-] ZINC000039331279 361988520 /nfs/dbraw/zinc/98/85/20/361988520.db2.gz WTHJQBRXHSAWKE-UHFFFAOYSA-N -1 0 289.678 2.254 50 0 CEAARM Nc1ccc(NCCc2cccnc2)c(C(=O)[O-])c1 ZINC000037931170 361965171 /nfs/dbraw/zinc/96/51/71/361965171.db2.gz GWRRNYGJMUZRFF-UHFFFAOYSA-N -1 0 257.293 2.017 50 0 CEAARM CC[C@@H](C(=O)[O-])N(C)C(=O)c1csc(C)c1C ZINC000399975588 539268397 /nfs/dbraw/zinc/26/83/97/539268397.db2.gz CULMKSHTSSZNRG-JTQLQIEISA-N -1 0 255.339 2.300 50 0 CEAARM COc1ccc(CC2C(=O)NC(=S)N=C2[O-])cc1C ZINC000006493728 343356596 /nfs/dbraw/zinc/35/65/96/343356596.db2.gz NUVOZNXDRMUTRY-UHFFFAOYSA-N -1 0 278.333 2.084 50 0 CEAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)c2ccccc12 ZINC000019877845 343374634 /nfs/dbraw/zinc/37/46/34/343374634.db2.gz MCJJHFSLPITJHU-CJNGLKHVSA-N -1 0 299.326 2.452 50 0 CEAARM O=C([O-])[C@H](NC(=O)[C@H]1C[C@@H]1c1ccco1)c1ccccc1 ZINC000097228626 344243538 /nfs/dbraw/zinc/24/35/38/344243538.db2.gz NDQPCAVXFMIGIW-SGMGOOAPSA-N -1 0 285.299 2.325 50 0 CEAARM C/N=C1/S[C@H](CC(=O)[O-])C(=O)N1c1ccc(C)c(C)c1 ZINC000136643597 344385635 /nfs/dbraw/zinc/38/56/35/344385635.db2.gz CJPQZTDPVCXOBX-BFWGRDPESA-N -1 0 292.360 2.212 50 0 CEAARM C[C@@H](CN(C(=O)c1cccc(F)c1F)C1CC1)C(=O)[O-] ZINC000195551948 344521420 /nfs/dbraw/zinc/52/14/20/344521420.db2.gz PULIUXIVRBEJSQ-QMMMGPOBSA-N -1 0 283.274 2.290 50 0 CEAARM CC[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221035235 344539286 /nfs/dbraw/zinc/53/92/86/344539286.db2.gz BIQCBRHEUBSOJD-VHSXEESVSA-N -1 0 257.330 2.497 50 0 CEAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1Cl ZINC000050215181 362410821 /nfs/dbraw/zinc/41/08/21/362410821.db2.gz YHCDFRVMMQJSRX-UHFFFAOYSA-N -1 0 269.663 2.126 50 0 CEAARM O=c1oc2cc(I)c([O-])cc2s1 ZINC000238725492 344607965 /nfs/dbraw/zinc/60/79/65/344607965.db2.gz CVFNJXIZWRPQHJ-UHFFFAOYSA-N -1 0 294.069 2.165 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000390832818 344838708 /nfs/dbraw/zinc/83/87/08/344838708.db2.gz JQJNKRRHOAXTFG-IEHMKBBKSA-N -1 0 253.342 2.302 50 0 CEAARM C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000054309631 362526313 /nfs/dbraw/zinc/52/63/13/362526313.db2.gz ABMIUVZZSPTYHO-SSDOTTSWSA-N -1 0 275.226 2.156 50 0 CEAARM CC(C)(C)OC(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1 ZINC000057217697 362573846 /nfs/dbraw/zinc/57/38/46/362573846.db2.gz FQSBMRZGNJYKRT-GFCCVEGCSA-N -1 0 290.319 2.048 50 0 CEAARM C[C@H](N(C)C(=O)c1ccc(C(=O)[O-])cn1)C(C)(C)C ZINC000057362511 362580476 /nfs/dbraw/zinc/58/04/76/362580476.db2.gz VAHLKUCMHUUIHP-VIFPVBQESA-N -1 0 264.325 2.286 50 0 CEAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000057974256 362603748 /nfs/dbraw/zinc/60/37/48/362603748.db2.gz SBYMLSAEAHYTBE-GXSJLCMTSA-N -1 0 287.237 2.309 50 0 CEAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000061844935 362692627 /nfs/dbraw/zinc/69/26/27/362692627.db2.gz DKOMHHXYIJIZAA-VIFPVBQESA-N -1 0 280.353 2.119 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1cscn1)c1cccs1 ZINC000062661421 362720855 /nfs/dbraw/zinc/72/08/55/362720855.db2.gz XVYCAGIYKATRGB-SSDOTTSWSA-N -1 0 282.346 2.150 50 0 CEAARM Cc1cccc(OCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062912805 362733045 /nfs/dbraw/zinc/73/30/45/362733045.db2.gz VVDKZPGEPLTLAW-MRXNPFEDSA-N -1 0 291.347 2.087 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccsc1 ZINC000063152942 362751417 /nfs/dbraw/zinc/75/14/17/362751417.db2.gz ZKIWRGVMLLWQRY-MNOVXSKESA-N -1 0 265.334 2.031 50 0 CEAARM CCCc1nc(C)c(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000236931793 370657738 /nfs/dbraw/zinc/65/77/38/370657738.db2.gz IWPPNRXTZJLATI-UHFFFAOYSA-N -1 0 296.392 2.341 50 0 CEAARM CS(=O)(=O)[N-]c1nc(-c2ccccc2F)cs1 ZINC000130003005 365915911 /nfs/dbraw/zinc/91/59/11/365915911.db2.gz FGRKVPKNAUFJPF-UHFFFAOYSA-N -1 0 272.326 2.321 50 0 CEAARM COc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccccn1 ZINC000067225209 362903995 /nfs/dbraw/zinc/90/39/95/362903995.db2.gz QODHNUPGPVFREP-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM COc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1CO ZINC000069389748 362964399 /nfs/dbraw/zinc/96/43/99/362964399.db2.gz AIHIMWICVUNPBW-UHFFFAOYSA-N -1 0 295.335 2.017 50 0 CEAARM C[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000630100342 351619533 /nfs/dbraw/zinc/61/95/33/351619533.db2.gz GTHJRTKOSDALNT-HTQZYQBOSA-N -1 0 267.247 2.041 50 0 CEAARM CC1(C)[C@H](C(=O)Nc2cc(-c3ccccc3)[nH]n2)[C@@H]1C(=O)[O-] ZINC000071282215 363109006 /nfs/dbraw/zinc/10/90/06/363109006.db2.gz PNCLYMSNTBCFQY-QWHCGFSZSA-N -1 0 299.330 2.372 50 0 CEAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1O ZINC000136218747 187870953 /nfs/dbraw/zinc/87/09/53/187870953.db2.gz JLUBOLPQDDASML-SNVBAGLBSA-N -1 0 285.727 2.275 50 0 CEAARM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccsc1 ZINC000136486910 187880512 /nfs/dbraw/zinc/88/05/12/187880512.db2.gz ODAPTDKJFWLHEH-KOLCDFICSA-N -1 0 267.350 2.317 50 0 CEAARM C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000136158908 187868812 /nfs/dbraw/zinc/86/88/12/187868812.db2.gz PMQIHXRTCQEOIO-PWSUYJOCSA-N -1 0 279.311 2.252 50 0 CEAARM Cc1occc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000131951828 366104233 /nfs/dbraw/zinc/10/42/33/366104233.db2.gz NMRDCHSPJWBVTD-LBPRGKRZSA-N -1 0 271.272 2.417 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000169967206 188666793 /nfs/dbraw/zinc/66/67/93/188666793.db2.gz ZJVXWPBZJRVMPY-FXBDTBDDSA-N -1 0 267.712 2.033 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1c1cccnc1 ZINC000197469242 540225686 /nfs/dbraw/zinc/22/56/86/540225686.db2.gz SEHCRQCBLCEHCY-HOCLYGCPSA-N -1 0 296.326 2.256 50 0 CEAARM Cn1c(-c2ccncc2)nc2cccc(C(=O)[O-])c21 ZINC000076039518 363510920 /nfs/dbraw/zinc/51/09/20/363510920.db2.gz RJOMOKVQOCDVDP-UHFFFAOYSA-N -1 0 253.261 2.334 50 0 CEAARM Cc1ccccc1/C=C\C(=O)N(CC(=O)[O-])C1CC1 ZINC000210421304 538769556 /nfs/dbraw/zinc/76/95/56/538769556.db2.gz BMKLKODMBXRWAA-TWGQIWQCSA-N -1 0 259.305 2.084 50 0 CEAARM CC(C)c1nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000136494841 366515791 /nfs/dbraw/zinc/51/57/91/366515791.db2.gz OUNBMEIVITVIQX-SNVBAGLBSA-N -1 0 282.365 2.346 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000006725904 304099547 /nfs/dbraw/zinc/09/95/47/304099547.db2.gz MQNPHUAOQXOKQO-VHSXEESVSA-N -1 0 280.711 2.341 50 0 CEAARM O=C([O-])COc1cccc(NC(=O)c2ccccc2)c1 ZINC000000128516 361132881 /nfs/dbraw/zinc/13/28/81/361132881.db2.gz XQOLKPHCFBYWFN-UHFFFAOYSA-N -1 0 271.272 2.402 50 0 CEAARM Cc1ccccc1Cn1c2ccccc2n(CC(=O)[O-])c1=N ZINC000000299141 361157917 /nfs/dbraw/zinc/15/79/17/361157917.db2.gz ALGYMKBWWNCCFN-UHFFFAOYSA-N -1 0 295.342 2.364 50 0 CEAARM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000000304405 361158555 /nfs/dbraw/zinc/15/85/55/361158555.db2.gz OVIDZRSFYMBFTE-UHFFFAOYSA-N -1 0 266.297 2.330 50 0 CEAARM O=C([O-])CCC(=O)c1ccc(Br)cc1 ZINC000000058212 361122596 /nfs/dbraw/zinc/12/25/96/361122596.db2.gz ZODFRCZNTXLDDW-UHFFFAOYSA-N -1 0 257.083 2.497 50 0 CEAARM O=C([N-]C(=O)C(F)(F)F)NCc1ccccc1Cl ZINC000000081893 361124607 /nfs/dbraw/zinc/12/46/07/361124607.db2.gz OOQZWXOAPVROLT-UHFFFAOYSA-N -1 0 280.633 2.228 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1cccc(Br)c1 ZINC000000097490 361127403 /nfs/dbraw/zinc/12/74/03/361127403.db2.gz ACABGZCLDYKQMC-SNAWJCMRSA-N -1 0 270.082 2.028 50 0 CEAARM CS(=O)(=O)[N-]C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000400473 361170083 /nfs/dbraw/zinc/17/00/83/361170083.db2.gz TUBFRMCFTRVSFP-UHFFFAOYSA-N -1 0 283.136 2.075 50 0 CEAARM Cc1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000000984372 361196093 /nfs/dbraw/zinc/19/60/93/361196093.db2.gz HENFOGMTHOCWFJ-UHFFFAOYSA-N -1 0 281.267 2.494 50 0 CEAARM CC(C)[C@H]1[C@H]2CCCCC2=NN1C(=O)/C=C/C(=O)[O-] ZINC000000331808 361162847 /nfs/dbraw/zinc/16/28/47/361162847.db2.gz NSLBYFYVGGSZDA-TVIWHRGSSA-N -1 0 264.325 2.040 50 0 CEAARM Cc1ccccc1OCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000000367920 361166074 /nfs/dbraw/zinc/16/60/74/361166074.db2.gz FFBPSYXQJXGEPG-UHFFFAOYSA-N -1 0 299.326 2.388 50 0 CEAARM CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002163699 361229215 /nfs/dbraw/zinc/22/92/15/361229215.db2.gz NSJDRLWFFAWSFP-LLVKDONJSA-N -1 0 251.282 2.166 50 0 CEAARM CCCCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000002437777 361234500 /nfs/dbraw/zinc/23/45/00/361234500.db2.gz OXFFETKHUPSSNP-UHFFFAOYSA-N -1 0 289.331 2.130 50 0 CEAARM O=C([O-])CCNC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000002505753 361237054 /nfs/dbraw/zinc/23/70/54/361237054.db2.gz VMWUNRVLMUZGPH-UHFFFAOYSA-N -1 0 299.326 2.323 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000003227278 361269388 /nfs/dbraw/zinc/26/93/88/361269388.db2.gz TXOQYCWPOYXFKW-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM CC(=O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000004142730 361302584 /nfs/dbraw/zinc/30/25/84/361302584.db2.gz GGPGPPJSEUIRJU-OSRDXIQISA-N -1 0 299.326 2.351 50 0 CEAARM O=C([O-])COc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000004523775 361319179 /nfs/dbraw/zinc/31/91/79/361319179.db2.gz CZVJWMFSBMUNHR-UHFFFAOYSA-N -1 0 291.328 2.393 50 0 CEAARM Cn1c2ccccc2nc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008417373 361343311 /nfs/dbraw/zinc/34/33/11/361343311.db2.gz RPPWFHKLVASLTN-MNOVXSKESA-N -1 0 299.330 2.179 50 0 CEAARM CCc1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1 ZINC000004992668 361330678 /nfs/dbraw/zinc/33/06/78/361330678.db2.gz XONLAGPWIJGLQG-UHFFFAOYSA-N -1 0 259.187 2.009 50 0 CEAARM O=S(=O)(c1ccc2oc(=S)[n-]c2c1)N1CCCCC1 ZINC000006508153 361336732 /nfs/dbraw/zinc/33/67/32/361336732.db2.gz NREGMSDBKOWQDD-UHFFFAOYSA-N -1 0 298.389 2.291 50 0 CEAARM O=C1[N-]C(=O)[C@@H](c2ccccc2)Oc2ccccc21 ZINC000006670049 361338000 /nfs/dbraw/zinc/33/80/00/361338000.db2.gz UPGQYLVMPYAFQI-CYBMUJFWSA-N -1 0 253.257 2.077 50 0 CEAARM O=C([O-])c1ccccc1N1CCN(c2ccccn2)CC1 ZINC000012632451 361395079 /nfs/dbraw/zinc/39/50/79/361395079.db2.gz FEOAWKZOWJXRIU-UHFFFAOYSA-N -1 0 283.331 2.106 50 0 CEAARM CC(C)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC000012954706 361410989 /nfs/dbraw/zinc/41/09/89/361410989.db2.gz RJUJMGVDZCVHQJ-ZJUUUORDSA-N -1 0 257.330 2.210 50 0 CEAARM C[C@@H](NC(=O)COc1cc(Cl)ccc1C(=O)[O-])C1CC1 ZINC000013319200 361424475 /nfs/dbraw/zinc/42/44/75/361424475.db2.gz VGSAIVAWTPYOQD-MRVPVSSYSA-N -1 0 297.738 2.332 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)c1ccco1)c1cccs1 ZINC000013388783 361426698 /nfs/dbraw/zinc/42/66/98/361426698.db2.gz LSILSMNLISDXHV-MRVPVSSYSA-N -1 0 265.290 2.287 50 0 CEAARM O=C([O-])c1ccc(CCNC(=O)[C@H]2CC=CCC2)cc1 ZINC000013442310 361427384 /nfs/dbraw/zinc/42/73/84/361427384.db2.gz OLPRXZQGLJOCEG-ZDUSSCGKSA-N -1 0 273.332 2.400 50 0 CEAARM Cc1oc2ncn(Cc3ccccc3C)c(=O)c2c1C(=O)[O-] ZINC000013057862 361418582 /nfs/dbraw/zinc/41/85/82/361418582.db2.gz WEEMKUYUNHOINW-UHFFFAOYSA-N -1 0 298.298 2.353 50 0 CEAARM O=c1nc(NCc2ccco2)[n-]nc1-c1ccccc1 ZINC000016048504 361482876 /nfs/dbraw/zinc/48/28/76/361482876.db2.gz PKJSRASTTWBBCZ-UHFFFAOYSA-N -1 0 268.276 2.037 50 0 CEAARM COc1ccc(-c2n[nH]cc2C=C2NC(=O)[N-]C2=O)cc1 ZINC000017009153 361502651 /nfs/dbraw/zinc/50/26/51/361502651.db2.gz CZZSIMUTOYVWEL-WDZFZDKYSA-N -1 0 284.275 2.106 50 0 CEAARM Cc1cc(C)nc([N-]c2nc(N)c3ccccc3n2)n1 ZINC000018096222 361514108 /nfs/dbraw/zinc/51/41/08/361514108.db2.gz VXLOMBKYVFIJHD-UHFFFAOYSA-N -1 0 266.308 2.362 50 0 CEAARM CC/C=C(\C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000019514916 361541646 /nfs/dbraw/zinc/54/16/46/361541646.db2.gz FHHLWGZNHDUHBG-JBNJFFQFSA-N -1 0 273.332 2.381 50 0 CEAARM C[C@H](c1ccccc1Cl)N1CCO[C@H](C(=O)[O-])C1 ZINC000086805147 363838998 /nfs/dbraw/zinc/83/89/98/363838998.db2.gz SYOIEUDOSZPKGH-SKDRFNHKSA-N -1 0 269.728 2.186 50 0 CEAARM Cc1c(CNC(=O)c2cc(F)cc(Cl)c2[O-])cnn1C ZINC000089883096 364012490 /nfs/dbraw/zinc/01/24/90/364012490.db2.gz GDRSVJMXQZVFMM-UHFFFAOYSA-N -1 0 297.717 2.157 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000237559203 370733269 /nfs/dbraw/zinc/73/32/69/370733269.db2.gz IKXMDQCTOKLQBR-KWCYVHTRSA-N -1 0 275.348 2.278 50 0 CEAARM C[C@@H]1CC[C@@H](CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)O1 ZINC000237379032 370716497 /nfs/dbraw/zinc/71/64/97/370716497.db2.gz YEVJCLGQGMAISR-OSAQELSMSA-N -1 0 291.347 2.276 50 0 CEAARM C[C@@H]1C[C@@H]1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC000237508222 370727930 /nfs/dbraw/zinc/72/79/30/370727930.db2.gz UIULGSVFZNOMMG-RISCZKNCSA-N -1 0 291.347 2.202 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000237642806 370741427 /nfs/dbraw/zinc/74/14/27/370741427.db2.gz GQBJPOXBONJXFZ-OAHLLOKOSA-N -1 0 291.322 2.181 50 0 CEAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000237907721 370759094 /nfs/dbraw/zinc/75/90/94/370759094.db2.gz KXHOKHQMDNRTTL-VXGBXAGGSA-N -1 0 293.388 2.483 50 0 CEAARM O=C([O-])c1ccc(Br)c2c1OC(F)(F)O2 ZINC000096171570 364405806 /nfs/dbraw/zinc/40/58/06/364405806.db2.gz FJCZRNAZJNVYSW-UHFFFAOYSA-N -1 0 281.008 2.469 50 0 CEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(OCC2CC2)cc1 ZINC000095424688 364371063 /nfs/dbraw/zinc/37/10/63/364371063.db2.gz YIUPPKMVUPDGCN-JTQLQIEISA-N -1 0 277.320 2.021 50 0 CEAARM Cc1ccc2[n-]cc(-c3nc([C@H]4CCOC4)no3)c(=O)c2c1 ZINC000096136927 364401429 /nfs/dbraw/zinc/40/14/29/364401429.db2.gz ZUQPXQUJVZSAMY-JTQLQIEISA-N -1 0 297.314 2.390 50 0 CEAARM Cc1cccc([C@H](C(=O)[O-])N(C)Cc2cnccn2)c1C ZINC000095374540 364348586 /nfs/dbraw/zinc/34/85/86/364348586.db2.gz HJIZKFRWXFFESX-OAHLLOKOSA-N -1 0 285.347 2.351 50 0 CEAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)c1 ZINC000097114364 364456631 /nfs/dbraw/zinc/45/66/31/364456631.db2.gz IUEGOALHPUGGLZ-UHFFFAOYSA-N -1 0 295.339 2.342 50 0 CEAARM CC(C)c1nc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000097039420 364428916 /nfs/dbraw/zinc/42/89/16/364428916.db2.gz RNCIVJMLKTUCBF-RKDXNWHRSA-N -1 0 282.365 2.250 50 0 CEAARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnccn1 ZINC000097162344 364469866 /nfs/dbraw/zinc/46/98/66/364469866.db2.gz GVEPNXOCPKGFFA-UHFFFAOYSA-N -1 0 283.740 2.239 50 0 CEAARM CSc1cccc(CN2CCOC[C@H]2CC(=O)[O-])c1 ZINC000097759377 364519803 /nfs/dbraw/zinc/51/98/03/364519803.db2.gz RSXKNVNDHQFMGS-GFCCVEGCSA-N -1 0 281.377 2.084 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000097009457 304123918 /nfs/dbraw/zinc/12/39/18/304123918.db2.gz XGVHEWXQCHPBQD-VXGBXAGGSA-N -1 0 253.342 2.326 50 0 CEAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc[n+]([O-])c1 ZINC000163585308 367251337 /nfs/dbraw/zinc/25/13/37/367251337.db2.gz IKAKZAXYELQUAK-UHFFFAOYSA-N -1 0 287.300 2.002 50 0 CEAARM O=C([O-])C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000170596104 367384187 /nfs/dbraw/zinc/38/41/87/367384187.db2.gz MXGFBVNOMPGCJZ-CYBMUJFWSA-N -1 0 273.263 2.116 50 0 CEAARM Fc1ccc(-c2noc(=N[C@@H]3CCCn4nccc43)[n-]2)cc1 ZINC000631594445 367427759 /nfs/dbraw/zinc/42/77/59/367427759.db2.gz VWKGBVARSNBRLA-GFCCVEGCSA-N -1 0 299.309 2.441 50 0 CEAARM O=C([O-])[C@@H]1c2ccccc2CC(=O)N1Cc1ccccc1 ZINC000169676790 367369868 /nfs/dbraw/zinc/36/98/68/367369868.db2.gz FHOGQZYORXROGK-INIZCTEOSA-N -1 0 281.311 2.397 50 0 CEAARM O=C([O-])[C@@H]1CSCN1c1ccc(C(F)(F)F)cn1 ZINC000040157379 304137471 /nfs/dbraw/zinc/13/74/71/304137471.db2.gz DOSWVVPAMZVYFI-ZETCQYMHSA-N -1 0 278.255 2.064 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cscn1 ZINC000240886199 304149712 /nfs/dbraw/zinc/14/97/12/304149712.db2.gz INSBBVVHJURLMY-IEBDPFPHSA-N -1 0 280.349 2.001 50 0 CEAARM Cc1nscc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000191241869 369693028 /nfs/dbraw/zinc/69/30/28/369693028.db2.gz BULNWSLMGNKHKO-UHFFFAOYSA-N -1 0 282.365 2.359 50 0 CEAARM C[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCOCC1 ZINC000192912709 369870547 /nfs/dbraw/zinc/87/05/47/369870547.db2.gz MLJDUSAXGPUGSA-QWHCGFSZSA-N -1 0 297.395 2.153 50 0 CEAARM C[C@H](CNC(=O)[C@H]1CSc2ccccc21)CC(=O)[O-] ZINC000211766138 370163130 /nfs/dbraw/zinc/16/31/30/370163130.db2.gz IAWYXPOFLMTOKR-ONGXEEELSA-N -1 0 279.361 2.103 50 0 CEAARM CN(CC(F)F)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000222167068 370252192 /nfs/dbraw/zinc/25/21/92/370252192.db2.gz QZZSHUHDHFFBJB-DAXSKMNVSA-N -1 0 269.247 2.122 50 0 CEAARM Cc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000252364397 371436060 /nfs/dbraw/zinc/43/60/60/371436060.db2.gz AMJTVONQMBZGEM-YUTCNCBUSA-N -1 0 288.347 2.248 50 0 CEAARM CCCc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000236932726 189853321 /nfs/dbraw/zinc/85/33/21/189853321.db2.gz MOAIWYVQJUUQMZ-SECBINFHSA-N -1 0 282.365 2.093 50 0 CEAARM C[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-] ZINC000262939186 371924558 /nfs/dbraw/zinc/92/45/58/371924558.db2.gz CCMCSZASYOKALS-SNVBAGLBSA-N -1 0 259.305 2.097 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1 ZINC000016158733 304174507 /nfs/dbraw/zinc/17/45/07/304174507.db2.gz VUNXBIYPZXEQBD-ZETCQYMHSA-N -1 0 273.210 2.143 50 0 CEAARM 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328328541 /nfs/dbraw/zinc/32/85/41/328328541.db2.gz KNIRGAKWAPBJHA-UHFFFAOYSA-N -1 0 265.357 2.285 50 0 CEAARM COc1cccc(OC)c1-c1nc(C)cc(C(=O)[O-])n1 ZINC000534633464 328332301 /nfs/dbraw/zinc/33/23/01/328332301.db2.gz WSDXMYKXFSTKPE-UHFFFAOYSA-N -1 0 274.276 2.167 50 0 CEAARM Cn1cc(-c2cccc3c2OC(F)(F)O3)c(C(=O)[O-])n1 ZINC000534674582 328349313 /nfs/dbraw/zinc/34/93/13/328349313.db2.gz AXUGCVXNIDSZLD-UHFFFAOYSA-N -1 0 282.202 2.107 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cn1 ZINC000050921255 526090613 /nfs/dbraw/zinc/09/06/13/526090613.db2.gz PHZFWVOVAWRGGS-CYBMUJFWSA-N -1 0 276.336 2.250 50 0 CEAARM CCCc1ncc(C(=O)N[C@@](C)(CCC)C(=O)[O-])s1 ZINC000096479970 528763818 /nfs/dbraw/zinc/76/38/18/528763818.db2.gz NOGMFJKMPVGYQG-ZDUSSCGKSA-N -1 0 284.381 2.469 50 0 CEAARM CCCCc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000001791757 529021053 /nfs/dbraw/zinc/02/10/53/529021053.db2.gz LMCVFDCBQBJVTN-GFCCVEGCSA-N -1 0 261.321 2.467 50 0 CEAARM CC[C@H]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263582504 536081686 /nfs/dbraw/zinc/08/16/86/536081686.db2.gz YTCZRSNOMTVAQH-NSHDSACASA-N -1 0 261.321 2.186 50 0 CEAARM CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC000756955667 574825493 /nfs/dbraw/zinc/82/54/93/574825493.db2.gz HRJCIEFJXLSHGT-OAHLLOKOSA-N -1 0 299.367 2.003 50 0 CEAARM CCc1c[n-]n2c1nc(Cc1sc(C)nc1C)cc2=O ZINC000023367560 625772167 /nfs/dbraw/zinc/77/21/67/625772167.db2.gz BEDXEFVFOGHDFA-UHFFFAOYSA-N -1 0 288.376 2.249 50 0 CEAARM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000000453055 640153082 /nfs/dbraw/zinc/15/30/82/640153082.db2.gz GORRHYQCWLMPBT-CQSZACIVSA-N -1 0 287.290 2.251 50 0 CEAARM C[C@@H]1CCCC[C@H]1OCc1nc(=O)c2nscc2[n-]1 ZINC000864090990 646897825 /nfs/dbraw/zinc/89/78/25/646897825.db2.gz ISQQUPKFDROKBN-PSASIEDQSA-N -1 0 279.365 2.475 50 0 CEAARM C[C@@H]1CCCC[C@@H]1OCc1nc(=O)c2nscc2[n-]1 ZINC000864090991 646897964 /nfs/dbraw/zinc/89/79/64/646897964.db2.gz ISQQUPKFDROKBN-SCZZXKLOSA-N -1 0 279.365 2.475 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1cccnc1 ZINC000197469221 802775006 /nfs/dbraw/zinc/77/50/06/802775006.db2.gz SEHCRQCBLCEHCY-GDBMZVCRSA-N -1 0 296.326 2.256 50 0 CEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(F)cc1 ZINC000095970247 185048400 /nfs/dbraw/zinc/04/84/00/185048400.db2.gz CBGVRTFGCAPDMG-ZDUSSCGKSA-N -1 0 253.273 2.199 50 0 CEAARM Cc1cc(C(=O)N(CCC(=O)[O-])C(C)C)nn1C(C)(C)C ZINC000095970062 185048631 /nfs/dbraw/zinc/04/86/31/185048631.db2.gz YYOSUQFTWKNSMM-UHFFFAOYSA-N -1 0 295.383 2.272 50 0 CEAARM CCCC(CCC)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095976994 185051039 /nfs/dbraw/zinc/05/10/39/185051039.db2.gz MWEFNIJWTOOBGR-LBPRGKRZSA-N -1 0 279.388 2.122 50 0 CEAARM CCCC(CCC)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976995 185051072 /nfs/dbraw/zinc/05/10/72/185051072.db2.gz MWEFNIJWTOOBGR-GFCCVEGCSA-N -1 0 279.388 2.122 50 0 CEAARM Cc1ncsc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000095989762 185057232 /nfs/dbraw/zinc/05/72/32/185057232.db2.gz WOLCHONLOBMLQF-SNVBAGLBSA-N -1 0 294.307 2.146 50 0 CEAARM Cc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033439491 361779044 /nfs/dbraw/zinc/77/90/44/361779044.db2.gz VLBQCNCCICSIBT-CYBMUJFWSA-N -1 0 261.321 2.003 50 0 CEAARM Cc1noc(C)c1COCc1c(C)onc1C(=O)[O-] ZINC000034925041 361796637 /nfs/dbraw/zinc/79/66/37/361796637.db2.gz HGZHUHOJDTZSQD-UHFFFAOYSA-N -1 0 266.253 2.003 50 0 CEAARM Cc1nc(C(=O)N[C@@H](C)C(=O)[O-])cc2c3ccccc3[nH]c21 ZINC000096803762 185114373 /nfs/dbraw/zinc/11/43/73/185114373.db2.gz GNZPCSXPAXVBIE-VIFPVBQESA-N -1 0 297.314 2.227 50 0 CEAARM CC(C)N(C)C(=O)CN1CCCc2c(C(=O)[O-])cccc21 ZINC000037595857 361908062 /nfs/dbraw/zinc/90/80/62/361908062.db2.gz WWYIXFSQQYHCRW-UHFFFAOYSA-N -1 0 290.363 2.004 50 0 CEAARM CCC[C@H](CC(=O)[O-])NC(=O)Cc1ccccc1F ZINC000097022267 185153843 /nfs/dbraw/zinc/15/38/43/185153843.db2.gz QBNPMXHDXQZFKU-LLVKDONJSA-N -1 0 267.300 2.128 50 0 CEAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000097035276 185157318 /nfs/dbraw/zinc/15/73/18/185157318.db2.gz RWODLGAABMOFHM-VXGBXAGGSA-N -1 0 293.388 2.483 50 0 CEAARM COC(=O)c1cc([S@](=O)[O-])c(Cl)cc1Cl ZINC000309434883 539282572 /nfs/dbraw/zinc/28/25/72/539282572.db2.gz HJFZLAHMIGNTNV-UHFFFAOYSA-N -1 0 269.105 2.361 50 0 CEAARM COc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])c(OC)c1 ZINC000043214307 362140074 /nfs/dbraw/zinc/14/00/74/362140074.db2.gz ILTIERWDFCYFTB-SECBINFHSA-N -1 0 266.293 2.387 50 0 CEAARM C[C@H]1CCOCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097374794 344245350 /nfs/dbraw/zinc/24/53/50/344245350.db2.gz JBIAQFRXGCLTOY-ZETCQYMHSA-N -1 0 289.253 2.061 50 0 CEAARM Cc1ccc(/C=C\C(=O)N[C@H](C)CC(=O)[O-])c(C)c1 ZINC000098042578 344246818 /nfs/dbraw/zinc/24/68/18/344246818.db2.gz AAVZVLOMHYIELC-ZHRWSRJISA-N -1 0 261.321 2.296 50 0 CEAARM C[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000097231290 344243987 /nfs/dbraw/zinc/24/39/87/344243987.db2.gz FTYRTDGOMFIBEN-MEDUHNTESA-N -1 0 275.348 2.235 50 0 CEAARM O=S(=O)([N-]c1noc(-c2ccco2)n1)c1cccs1 ZINC000131014003 344356338 /nfs/dbraw/zinc/35/63/38/344356338.db2.gz UQOMUADHXPAAAW-UHFFFAOYSA-N -1 0 297.317 2.192 50 0 CEAARM CCC1(C(=O)[O-])CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000426489506 282342186 /nfs/dbraw/zinc/34/21/86/282342186.db2.gz GMKUDEZAVUOHGX-CQSZACIVSA-N -1 0 283.368 2.049 50 0 CEAARM CCC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1 ZINC000170599443 344485925 /nfs/dbraw/zinc/48/59/25/344485925.db2.gz FICYWQCAFWGEMU-VXGBXAGGSA-N -1 0 283.393 2.425 50 0 CEAARM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000195574092 344522611 /nfs/dbraw/zinc/52/26/11/344522611.db2.gz PCLBBDWCYJMFPV-GXFFZTMASA-N -1 0 289.356 2.301 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C\c2ccco2)C1 ZINC000218460839 344536282 /nfs/dbraw/zinc/53/62/82/344536282.db2.gz MVDPCELOHPVRAH-ZHRWSRJISA-N -1 0 277.320 2.396 50 0 CEAARM Cc1c(C(=O)[O-])nnn1Cc1c(F)cccc1Cl ZINC000050214867 362410921 /nfs/dbraw/zinc/41/09/21/362410921.db2.gz CQXLEISFKIKHGZ-UHFFFAOYSA-N -1 0 269.663 2.126 50 0 CEAARM Cc1ccc(C)c(CC(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000053141719 362482875 /nfs/dbraw/zinc/48/28/75/362482875.db2.gz LWTLPQKTDRDHPP-INIZCTEOSA-N -1 0 275.348 2.215 50 0 CEAARM Cc1nonc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000097103838 185531868 /nfs/dbraw/zinc/53/18/68/185531868.db2.gz VUBNFMJQPVVEOO-UHFFFAOYSA-N -1 0 287.728 2.141 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000084299910 539503776 /nfs/dbraw/zinc/50/37/76/539503776.db2.gz IUQFRNOACLZZOH-NXEZZACHSA-N -1 0 257.330 2.402 50 0 CEAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000084290664 539504097 /nfs/dbraw/zinc/50/40/97/539504097.db2.gz XFPZKQMCDPDBAO-UHFFFAOYSA-N -1 0 296.373 2.455 50 0 CEAARM C[C@@](NC(=O)c1ccc2ncccc2c1)(C(=O)[O-])C1CC1 ZINC000061411648 362680508 /nfs/dbraw/zinc/68/05/08/362680508.db2.gz FDGFOJIVVXJJRW-INIZCTEOSA-N -1 0 284.315 2.218 50 0 CEAARM C[C@H]1CCc2c(C(=O)N3CC[C@H](C(=O)[O-])C3)csc2C1 ZINC000062118450 362709438 /nfs/dbraw/zinc/70/94/38/362709438.db2.gz NANPIZKNYHPVFK-UWVGGRQHSA-N -1 0 293.388 2.420 50 0 CEAARM CC1(C)[C@H](C(=O)Nc2ccc3[nH]ccc3c2)[C@@H]1C(=O)[O-] ZINC000062001803 362702048 /nfs/dbraw/zinc/70/20/48/362702048.db2.gz CXNVATYHOZHZRH-NWDGAFQWSA-N -1 0 272.304 2.463 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000062912876 362733075 /nfs/dbraw/zinc/73/30/75/362733075.db2.gz OQPDIPGZJAVFGG-MRXNPFEDSA-N -1 0 273.332 2.112 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2nccc3ccccc32)C1 ZINC000062914184 362734071 /nfs/dbraw/zinc/73/40/71/362734071.db2.gz GDKMFKUODYAGPE-INIZCTEOSA-N -1 0 284.315 2.172 50 0 CEAARM CC(C)[C@H](NC(=O)/C=C\c1cccc2cccnc12)C(=O)[O-] ZINC000606442393 347473903 /nfs/dbraw/zinc/47/39/03/347473903.db2.gz DBKXYKLRNRHFGP-CDNLZTBQSA-N -1 0 298.342 2.473 50 0 CEAARM CNc1ncc(C(=O)[O-])c(COc2ccc(Cl)cc2)n1 ZINC000072265498 290845721 /nfs/dbraw/zinc/84/57/21/290845721.db2.gz INLXEUKUCOJFLB-UHFFFAOYSA-N -1 0 293.710 2.449 50 0 CEAARM Cc1nc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000087428040 179425117 /nfs/dbraw/zinc/42/51/17/179425117.db2.gz BCHRVPOVEICNBB-SNVBAGLBSA-N -1 0 282.365 2.311 50 0 CEAARM CCCc1nc(C)c(C(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC000236933028 370659222 /nfs/dbraw/zinc/65/92/22/370659222.db2.gz MOAIWYVQJUUQMZ-VIFPVBQESA-N -1 0 282.365 2.093 50 0 CEAARM CC(C)[C@@H]1CN(C(=O)c2ccsc2)C[C@H]1C(=O)[O-] ZINC000091441172 180156878 /nfs/dbraw/zinc/15/68/78/180156878.db2.gz JCSBZRHBMYVOAC-WDEREUQCSA-N -1 0 267.350 2.177 50 0 CEAARM Cc1ccsc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091426391 180152413 /nfs/dbraw/zinc/15/24/13/180152413.db2.gz JSDGPZFETZKAFQ-WDEREUQCSA-N -1 0 281.377 2.485 50 0 CEAARM Cc1nn(C)cc1-c1c(-c2ccccc2)ncn1CC(=O)[O-] ZINC000091574228 180197341 /nfs/dbraw/zinc/19/73/41/180197341.db2.gz ISCQANBPCOFMGB-UHFFFAOYSA-N -1 0 296.330 2.344 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000108655177 186225742 /nfs/dbraw/zinc/22/57/42/186225742.db2.gz VYVXNHMOAXGOQR-QWHCGFSZSA-N -1 0 273.332 2.467 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)c1ccc(Cl)s1 ZINC000069837631 363007643 /nfs/dbraw/zinc/00/76/43/363007643.db2.gz JEVZBMKAILEABC-ZCFIWIBFSA-N -1 0 261.730 2.385 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1coc2ccccc12 ZINC000070391734 363078371 /nfs/dbraw/zinc/07/83/71/363078371.db2.gz XMTWHAICQKABKB-VIFPVBQESA-N -1 0 261.277 2.416 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2coc3ccccc23)CC1 ZINC000070390012 363078378 /nfs/dbraw/zinc/07/83/78/363078378.db2.gz MKCIYYDHKOYPBY-UHFFFAOYSA-N -1 0 273.288 2.370 50 0 CEAARM C[C@@H](Oc1ccc(NC(=O)C2CCC2)cc1F)C(=O)[O-] ZINC000630258652 351672193 /nfs/dbraw/zinc/67/21/93/351672193.db2.gz FMRDZMHZNIPULO-MRVPVSSYSA-N -1 0 281.283 2.416 50 0 CEAARM Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000092341524 539822902 /nfs/dbraw/zinc/82/29/02/539822902.db2.gz PQKBQEKKRPPRFZ-UWJYBYFXSA-N -1 0 294.351 2.360 50 0 CEAARM CN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000070571544 363096457 /nfs/dbraw/zinc/09/64/57/363096457.db2.gz ZYHIHTDDGHAARV-KBPBESRZSA-N -1 0 290.363 2.471 50 0 CEAARM Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000131951590 366104446 /nfs/dbraw/zinc/10/44/46/366104446.db2.gz PDRWLAHKGQVWBM-GFCCVEGCSA-N -1 0 282.299 2.219 50 0 CEAARM Cc1ncsc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000131970318 366105528 /nfs/dbraw/zinc/10/55/28/366105528.db2.gz OBFHJDRXQLZIGL-JTQLQIEISA-N -1 0 288.328 2.280 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1OC(F)F ZINC000037795046 299215028 /nfs/dbraw/zinc/21/50/28/299215028.db2.gz DVBADXMIXQRGET-SFGNSQDASA-N -1 0 299.273 2.186 50 0 CEAARM Cc1nc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000224681477 540168661 /nfs/dbraw/zinc/16/86/61/540168661.db2.gz TYTWJBYJIDMEDF-WOPDTQHZSA-N -1 0 292.335 2.149 50 0 CEAARM O=C([O-])C[C@@H]1CC(=O)Oc2cccc(Br)c21 ZINC000074937913 304074489 /nfs/dbraw/zinc/07/44/89/304074489.db2.gz BATNSUNQCYYYJI-ZCFIWIBFSA-N -1 0 285.093 2.317 50 0 CEAARM CC[C@@H](C(=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 ZINC000191416532 535438323 /nfs/dbraw/zinc/43/83/23/535438323.db2.gz MUROMEMRYQNKIG-STQMWFEESA-N -1 0 267.300 2.062 50 0 CEAARM Cc1cc(C(=O)NCc2cc(C(=O)[O-])co2)c(C)o1 ZINC000000036405 361119075 /nfs/dbraw/zinc/11/90/75/361119075.db2.gz MMBZGIMQLXCMAH-UHFFFAOYSA-N -1 0 263.249 2.118 50 0 CEAARM CCn1cc(C(=O)[O-])c(=O)c2cc(Cl)ccc21 ZINC000000143551 361134725 /nfs/dbraw/zinc/13/47/25/361134725.db2.gz YVRGGPBWRTYCDP-UHFFFAOYSA-N -1 0 251.669 2.373 50 0 CEAARM O=C([O-])C[C@H]1SC(Cc2ccc(Cl)cc2)=NC1=O ZINC000000144988 361134891 /nfs/dbraw/zinc/13/48/91/361134891.db2.gz BPYLGEIVYAUINT-SECBINFHSA-N -1 0 283.736 2.398 50 0 CEAARM O=C([O-])c1ccccc1NC(=O)COc1ccccc1 ZINC000000145123 361134989 /nfs/dbraw/zinc/13/49/89/361134989.db2.gz RKNMVALGNSLQQL-UHFFFAOYSA-N -1 0 271.272 2.402 50 0 CEAARM Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)[O-])ccc12 ZINC000000303508 361159020 /nfs/dbraw/zinc/15/90/20/361159020.db2.gz ZPMUQDKHXOEAMF-VIFPVBQESA-N -1 0 262.261 2.262 50 0 CEAARM O=C(N=C([O-])Nc1ccc(F)c(F)c1)C(F)(F)F ZINC000000081888 361124752 /nfs/dbraw/zinc/12/47/52/361124752.db2.gz 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/nfs/dbraw/zinc/30/77/13/361307713.db2.gz PJUNJQAGCGMRAS-UHFFFAOYSA-N -1 0 282.296 2.030 50 0 CEAARM COc1ccc(NC(=O)C[C@@H](C)CC(=O)[O-])c(OC)c1 ZINC000004691269 361326982 /nfs/dbraw/zinc/32/69/82/361326982.db2.gz BHERIPJXRVBJOY-SECBINFHSA-N -1 0 281.308 2.143 50 0 CEAARM C[C@H](NC(=O)C(C)(C)c1ccccc1Cl)C(=O)[O-] ZINC000082266062 363755244 /nfs/dbraw/zinc/75/52/44/363755244.db2.gz UMWUYHFICTWYDU-QMMMGPOBSA-N -1 0 269.728 2.207 50 0 CEAARM O=C([O-])c1ccc(C[NH2+]Cc2ccccc2C(=O)[O-])cc1 ZINC000010475237 361352021 /nfs/dbraw/zinc/35/20/21/361352021.db2.gz MLSHAHIKVOBNGM-UHFFFAOYSA-N -1 0 285.299 2.373 50 0 CEAARM O=C(NCCc1ccccc1)c1ccccc1[S@](=O)[O-] ZINC000012376314 361380961 /nfs/dbraw/zinc/38/09/61/361380961.db2.gz QAKPCUPSWPZSBU-UHFFFAOYSA-N -1 0 289.356 2.240 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000013170396 361422226 /nfs/dbraw/zinc/42/22/26/361422226.db2.gz PCQZCPOFOJQVQA-SYTKJHMZSA-N -1 0 277.295 2.162 50 0 CEAARM C[C@H](Oc1ccccc1C(=O)[O-])C(=O)NCc1ccccc1 ZINC000013410149 361428230 /nfs/dbraw/zinc/42/82/30/361428230.db2.gz CRGYGSNCCSNJRU-LBPRGKRZSA-N -1 0 299.326 2.469 50 0 CEAARM COc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1OC ZINC000015441793 361473579 /nfs/dbraw/zinc/47/35/79/361473579.db2.gz NPZZXAUEEDAGQB-SECBINFHSA-N -1 0 266.293 2.387 50 0 CEAARM Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000019412829 361532016 /nfs/dbraw/zinc/53/20/16/361532016.db2.gz XHPIKUSGNLRKCF-CYBMUJFWSA-N -1 0 261.321 2.383 50 0 CEAARM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000019410775 361532435 /nfs/dbraw/zinc/53/24/35/361532435.db2.gz NISWRYVBGIZCLV-LBPRGKRZSA-N -1 0 289.356 2.482 50 0 CEAARM CCn1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cn1 ZINC000024577161 361611094 /nfs/dbraw/zinc/61/10/94/361611094.db2.gz QQUZBGKHYDCYFR-UHFFFAOYSA-N -1 0 279.365 2.321 50 0 CEAARM Cc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(Cl)c1 ZINC000021951502 361587101 /nfs/dbraw/zinc/58/71/01/361587101.db2.gz BEQCUNOZQUWDBX-QMMMGPOBSA-N -1 0 253.685 2.086 50 0 CEAARM 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ZINC000097160157 364467179 /nfs/dbraw/zinc/46/71/79/364467179.db2.gz RNVQYJCWHHXYNM-UHFFFAOYSA-N -1 0 289.356 2.404 50 0 CEAARM O=C([O-])CCCc1ncnn1-c1cccc2c1CCC2 ZINC000097594752 364509536 /nfs/dbraw/zinc/50/95/36/364509536.db2.gz QBSLBNHICFEVHJ-UHFFFAOYSA-N -1 0 271.320 2.163 50 0 CEAARM O=c1cc(-c2ccccc2)nc2[n-]c(-c3cccnc3)nn21 ZINC000100136653 364540031 /nfs/dbraw/zinc/54/00/31/364540031.db2.gz XZVJOALASPJTFW-UHFFFAOYSA-N -1 0 289.298 2.147 50 0 CEAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccsc2)C1 ZINC000104274000 364690040 /nfs/dbraw/zinc/69/00/40/364690040.db2.gz CSRTXFMVRYXPAR-MNOVXSKESA-N -1 0 267.350 2.255 50 0 CEAARM O=C([O-])c1cccc(C(=O)NCCOC2CCCC2)c1 ZINC000111643952 364749175 /nfs/dbraw/zinc/74/91/75/364749175.db2.gz JPZVZBLLFQAUJL-UHFFFAOYSA-N -1 0 277.320 2.074 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000269215406 304122018 /nfs/dbraw/zinc/12/20/18/304122018.db2.gz XTFQHFUUKOFOAN-LDYMZIIASA-N -1 0 297.401 2.012 50 0 CEAARM C[C@@H](C(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000229321739 189797472 /nfs/dbraw/zinc/79/74/72/189797472.db2.gz QALXNPRYONQPMV-RXMQYKEDSA-N -1 0 277.198 2.086 50 0 CEAARM CC[C@@H](C(=O)[O-])N(C)Cc1nc2c(s1)CCCC2 ZINC000191434960 369712970 /nfs/dbraw/zinc/71/29/70/369712970.db2.gz IQLLRRPJCNZYSQ-JTQLQIEISA-N -1 0 268.382 2.317 50 0 CEAARM O=c1[n-]c(SCc2nc3ccccc3s2)n[nH]1 ZINC000194632218 370059744 /nfs/dbraw/zinc/05/97/44/370059744.db2.gz HIZLHIRVLIFJDP-UHFFFAOYSA-N -1 0 264.335 2.412 50 0 CEAARM Cc1ccoc1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000195529639 370137505 /nfs/dbraw/zinc/13/75/05/370137505.db2.gz GYNSHCDEPJLGLB-UHFFFAOYSA-N -1 0 253.298 2.161 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@@H](C)c1cccs1 ZINC000225459554 370296609 /nfs/dbraw/zinc/29/66/09/370296609.db2.gz AMPVSRDVKQOSKO-VIFPVBQESA-N -1 0 255.339 2.175 50 0 CEAARM O=C([O-])CCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000227169484 370362679 /nfs/dbraw/zinc/36/26/79/370362679.db2.gz ALQQGFBMPSHJDH-UHFFFAOYSA-N -1 0 290.319 2.155 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000236452359 189834108 /nfs/dbraw/zinc/83/41/08/189834108.db2.gz VXZFGCQCLBZZJE-IUCAKERBSA-N -1 0 294.376 2.461 50 0 CEAARM CCC(CC)(CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000252487624 371444020 /nfs/dbraw/zinc/44/40/20/371444020.db2.gz ZQIZXKICXMZOHY-URLYPYJESA-N -1 0 253.342 2.040 50 0 CEAARM Cc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])[nH]1 ZINC000253433041 371522901 /nfs/dbraw/zinc/52/29/01/371522901.db2.gz RAZCRSDMTMGBQX-ZDUSSCGKSA-N -1 0 286.331 2.057 50 0 CEAARM Cc1c(C=NNc2ccc(C(=O)[O-])cc2)cc(C#N)n1C ZINC000254838941 371540397 /nfs/dbraw/zinc/54/03/97/371540397.db2.gz PYOMHWWLLUKNTO-UHFFFAOYSA-N -1 0 282.303 2.349 50 0 CEAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)cc1C(=O)[O-] ZINC000237319749 189872189 /nfs/dbraw/zinc/87/21/89/189872189.db2.gz GOHXUGCYNSTRDU-NWDGAFQWSA-N -1 0 289.331 2.056 50 0 CEAARM CC[C@](NC(=O)c1cccn1C)(C(=O)[O-])c1ccccc1 ZINC000262483721 371865664 /nfs/dbraw/zinc/86/56/64/371865664.db2.gz 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375508550 /nfs/dbraw/zinc/50/85/50/375508550.db2.gz SEIKUEFWUSMCMG-BBATYDOGSA-N -1 0 289.422 2.454 50 0 CEAARM CCCN(CCC)CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000261494542 190039605 /nfs/dbraw/zinc/03/96/05/190039605.db2.gz QRTNAXAQKQIXJK-UHFFFAOYSA-N -1 0 299.392 2.238 50 0 in-vitro CEAARM O=C([O-])c1ccc(NC(=O)COC2CCCC2)cc1 ZINC000262130901 190049012 /nfs/dbraw/zinc/04/90/12/190049012.db2.gz NVIOSGGNEOQISQ-UHFFFAOYSA-N -1 0 263.293 2.283 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)CSCC2CC2)C1 ZINC000426506887 377412093 /nfs/dbraw/zinc/41/20/93/377412093.db2.gz XRBPHCNULIFQSL-LLVKDONJSA-N -1 0 285.409 2.233 50 0 CEAARM O=C([O-])c1c(I)ccc(F)c1F ZINC000021985403 304217803 /nfs/dbraw/zinc/21/78/03/304217803.db2.gz RBZFCUDQWRXOLM-UHFFFAOYSA-N -1 0 283.999 2.268 50 0 CEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(F)cc1F ZINC000000100909 169536123 /nfs/dbraw/zinc/53/61/23/169536123.db2.gz ORBMAYGDNMXQOF-ZETCQYMHSA-N -1 0 257.236 2.404 50 0 CEAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)CCC(=O)[O-] ZINC000000126513 169545458 /nfs/dbraw/zinc/54/54/58/169545458.db2.gz CEUBXXKPXQZBDU-UHFFFAOYSA-N -1 0 299.348 2.345 50 0 CEAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(OC)cc1 ZINC000000288578 169598040 /nfs/dbraw/zinc/59/80/40/169598040.db2.gz FJBCBLNPKJYVRU-UHFFFAOYSA-N -1 0 293.348 2.150 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCc1ccccc1 ZINC000000298116 169600947 /nfs/dbraw/zinc/60/09/47/169600947.db2.gz GWFYOSXXZXFIFE-KGLIPLIRSA-N -1 0 273.332 2.012 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC3(CCCC3)C2)cn1 ZINC000237988637 304233419 /nfs/dbraw/zinc/23/34/19/304233419.db2.gz IWNVHBBQKIIDBD-UHFFFAOYSA-N -1 0 274.320 2.186 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000160134943 304236010 /nfs/dbraw/zinc/23/60/10/304236010.db2.gz DBCTXSWGBRVBOF-STQMWFEESA-N -1 0 259.305 2.257 50 0 CEAARM O=C(O)c1c[n-]c2c(-c3ccccn3)nsc2c1=O ZINC000067172751 304278881 /nfs/dbraw/zinc/27/88/81/304278881.db2.gz LAPLCKBBFGDLPU-UHFFFAOYSA-N -1 0 273.273 2.157 50 0 CEAARM C[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)c1ccc(F)cc1F ZINC000262690708 131251440 /nfs/dbraw/zinc/25/14/40/131251440.db2.gz BNYNCKVDWBTUIT-IUCAKERBSA-N -1 0 285.290 2.438 50 0 CEAARM O=C([O-])c1cc(N2CCC[C@](CO)(CC3CC3)C2)ccn1 ZINC000091691727 135073297 /nfs/dbraw/zinc/07/32/97/135073297.db2.gz QICBFIMLRIOOME-INIZCTEOSA-N -1 0 290.363 2.159 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])ccc1O ZINC000232379049 394481462 /nfs/dbraw/zinc/48/14/62/394481462.db2.gz CBIFWSMYPLYJMI-LBPRGKRZSA-N -1 0 277.320 2.170 50 0 CEAARM CC(C)=CC(=O)N1CCC[C@](CC2CC2)(C(=O)[O-])C1 ZINC000091439934 394656922 /nfs/dbraw/zinc/65/69/22/394656922.db2.gz VQGCHZKYWCCIPW-OAHLLOKOSA-N -1 0 265.353 2.446 50 0 CEAARM Cc1ccc2oc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2n1 ZINC000262355917 394616057 /nfs/dbraw/zinc/61/60/57/394616057.db2.gz HFAAYNRYOACWFH-NSHDSACASA-N -1 0 288.303 2.216 50 0 CEAARM Cc1nn(C)cc1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000096307660 394678854 /nfs/dbraw/zinc/67/88/54/394678854.db2.gz LOGSGTSDCMZNPW-YVMONPNESA-N -1 0 270.288 2.323 50 0 CEAARM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000096435767 394691855 /nfs/dbraw/zinc/69/18/55/394691855.db2.gz GBZOVKLNOCOIQX-UHFFFAOYSA-N -1 0 297.355 2.479 50 0 CEAARM CC[C@](NC(=O)[C@H]1CC12CC2)(C(=O)[O-])c1ccccc1 ZINC000263240916 288420635 /nfs/dbraw/zinc/42/06/35/288420635.db2.gz RPYLGZOVUFRXKN-MLGOLLRUSA-N -1 0 273.332 2.293 50 0 CEAARM CCc1cc(C(=O)[O-])c2cnn(Cc3ccco3)c2n1 ZINC000044978468 400151403 /nfs/dbraw/zinc/15/14/03/400151403.db2.gz PPJSYIXJROSBBO-UHFFFAOYSA-N -1 0 271.276 2.333 50 0 CEAARM Cc1ccc2c(c1)c1c(n2CCC(=O)[O-])CCN(C)C1 ZINC000075566964 400243148 /nfs/dbraw/zinc/24/31/48/400243148.db2.gz QMEZDSKXVGJNSO-UHFFFAOYSA-N -1 0 272.348 2.412 50 0 CEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC12CC2 ZINC000263215819 154035275 /nfs/dbraw/zinc/03/52/75/154035275.db2.gz OCTXYSBTQRLFMY-OCCSQVGLSA-N -1 0 298.342 2.080 50 0 CEAARM C[C@@]1(C(=O)NCc2ccc(C(=O)[O-])s2)CC1(F)F ZINC000263289040 154047421 /nfs/dbraw/zinc/04/74/21/154047421.db2.gz YLPHZASCGLCSOA-JTQLQIEISA-N -1 0 275.276 2.108 50 0 CEAARM CC[C@@H]1CCCN(C(=O)c2ccnc(C(=O)[O-])c2)CC1 ZINC000095989963 287051768 /nfs/dbraw/zinc/05/17/68/287051768.db2.gz YCLBPQFMDZXKEH-LLVKDONJSA-N -1 0 276.336 2.432 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)[O-] ZINC000097018690 298749802 /nfs/dbraw/zinc/74/98/02/298749802.db2.gz SQRSOPQEZAAHLB-HLTSFMKQSA-N -1 0 281.274 2.192 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000002429368 169791591 /nfs/dbraw/zinc/79/15/91/169791591.db2.gz KYFRDGXPSHFSLP-SKDRFNHKSA-N -1 0 282.315 2.124 50 0 CEAARM CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000003351293 169882139 /nfs/dbraw/zinc/88/21/39/169882139.db2.gz DCGRSPGEMDYZGI-SNVBAGLBSA-N -1 0 287.768 2.276 50 0 CEAARM C[C@@]12CCc3ccccc3[C@@]1(C)N(CC(=O)[O-])C(=O)O2 ZINC000004698087 170001127 /nfs/dbraw/zinc/00/11/27/170001127.db2.gz DOYDZBOJDKKKHS-HUUCEWRRSA-N -1 0 275.304 2.144 50 0 CEAARM O=S1(=O)c2ccccc2C([O-])=CN1Cc1ccccc1 ZINC000005274914 170081835 /nfs/dbraw/zinc/08/18/35/170081835.db2.gz 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RPQPBAKZNLBQCP-UHFFFAOYSA-N -1 0 281.695 2.207 50 0 CEAARM O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)cs1 ZINC000016623835 170706457 /nfs/dbraw/zinc/70/64/57/170706457.db2.gz IOJRELLCJFPBBP-UHFFFAOYSA-N -1 0 289.378 2.057 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)CCCc2ccccc2)C1 ZINC000020200216 171063444 /nfs/dbraw/zinc/06/34/44/171063444.db2.gz QXZIFOFIOQUYKU-AWEZNQCLSA-N -1 0 275.348 2.333 50 0 CEAARM COc1ccc(-n2nnc(C(=O)[O-])c2-c2cccnc2)cc1 ZINC000021657732 171318330 /nfs/dbraw/zinc/31/83/30/171318330.db2.gz QNZFUZAOBNYSEM-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cn1C ZINC000021940669 171338115 /nfs/dbraw/zinc/33/81/15/171338115.db2.gz SPAXKTTYTQPEAD-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CCc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022156935 171362906 /nfs/dbraw/zinc/36/29/06/171362906.db2.gz SDYIUNPNNPCAFM-UHFFFAOYSA-N -1 0 294.332 2.076 50 0 CEAARM COc1ccc(-c2ccc(C(=O)[O-])c(=O)[nH]2)cc1OC ZINC000034592025 171845136 /nfs/dbraw/zinc/84/51/36/171845136.db2.gz ZIANDIUXHXXHLX-UHFFFAOYSA-N -1 0 275.260 2.170 50 0 CEAARM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)o1 ZINC000035389526 172172155 /nfs/dbraw/zinc/17/21/55/172172155.db2.gz LOLNVSDVOYGNEY-JTQLQIEISA-N -1 0 253.298 2.071 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)Cn1c(C)cc2ccccc21 ZINC000038022484 174003860 /nfs/dbraw/zinc/00/38/60/174003860.db2.gz IQCMFHXHNSCQNS-UHFFFAOYSA-N -1 0 288.347 2.273 50 0 CEAARM O=C([O-])C[C@H]1CCCCN1C(=O)Cc1cccs1 ZINC000038026319 174011582 /nfs/dbraw/zinc/01/15/82/174011582.db2.gz KRLUJTAWKMQXBU-SNVBAGLBSA-N -1 0 267.350 2.146 50 0 CEAARM CS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000040543812 174323732 /nfs/dbraw/zinc/32/37/32/174323732.db2.gz KHVXPPFTRDJMFE-UHFFFAOYSA-N -1 0 299.735 2.289 50 0 CEAARM CCOC1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000040690471 174376806 /nfs/dbraw/zinc/37/68/06/174376806.db2.gz DUUFGQFOCFUOJZ-UHFFFAOYSA-N -1 0 277.320 2.026 50 0 CEAARM CCc1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)sc1C ZINC000043510716 175060064 /nfs/dbraw/zinc/06/00/64/175060064.db2.gz VTZTULXEBOXFQA-CYBMUJFWSA-N -1 0 299.417 2.309 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000043589679 175073466 /nfs/dbraw/zinc/07/34/66/175073466.db2.gz BEZVXZHCYLOZTC-LLVKDONJSA-N -1 0 265.309 2.305 50 0 CEAARM Cc1cc([C@H](C)NC(=O)c2ccc(C(=O)[O-])nc2)c(C)o1 ZINC000044731813 175240737 /nfs/dbraw/zinc/24/07/37/175240737.db2.gz KSQSWHLYSJAEQP-VIFPVBQESA-N -1 0 288.303 2.481 50 0 CEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(Cl)ccn1 ZINC000071285370 176109842 /nfs/dbraw/zinc/10/98/42/176109842.db2.gz PQWHQGRKZNOMRY-RKDXNWHRSA-N -1 0 268.700 2.030 50 0 CEAARM Cc1cc(F)ccc1-n1nnc(C(=O)[O-])c1-c1cccnc1 ZINC000071327480 176123939 /nfs/dbraw/zinc/12/39/39/176123939.db2.gz SFNJKFFKIGTNBS-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM Cc1nn(C)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1C ZINC000078612534 177360558 /nfs/dbraw/zinc/36/05/58/177360558.db2.gz IZJRRAXKJOUMIH-UHFFFAOYSA-N -1 0 297.355 2.285 50 0 CEAARM COc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000001078096 261195418 /nfs/dbraw/zinc/19/54/18/261195418.db2.gz OOOOHHABXZISSJ-UONOGXRCSA-N -1 0 291.347 2.202 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C\c1cccnc1 ZINC000220267000 270308954 /nfs/dbraw/zinc/30/89/54/270308954.db2.gz HXOFGVMGMCVMPA-IQCBXXCUSA-N -1 0 288.347 2.341 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(F)(F)[C@](C)(C(=O)[O-])C1 ZINC000095742835 278382018 /nfs/dbraw/zinc/38/20/18/278382018.db2.gz XRCPEJWXGRIHBL-NSHDSACASA-N -1 0 279.283 2.353 50 0 CEAARM CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000022154207 278716484 /nfs/dbraw/zinc/71/64/84/278716484.db2.gz MNEQMCXDXCHQML-CYBMUJFWSA-N -1 0 261.321 2.071 50 0 CEAARM CC1(C)C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CCO1 ZINC000025107914 281334204 /nfs/dbraw/zinc/33/42/04/281334204.db2.gz GBFYKOUNVPMQMK-CHWSQXEVSA-N -1 0 291.347 2.134 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(Cl)ccn1 ZINC000071285372 281469794 /nfs/dbraw/zinc/46/97/94/281469794.db2.gz PQWHQGRKZNOMRY-BDAKNGLRSA-N -1 0 268.700 2.030 50 0 CEAARM COCc1cccc([C@H](C(=O)[O-])N2CCSCC2)c1 ZINC000095380352 293312575 /nfs/dbraw/zinc/31/25/75/293312575.db2.gz RHANHMQWWNLJCD-CYBMUJFWSA-N -1 0 281.377 2.008 50 0 CEAARM COc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccc1C ZINC000019390161 294928480 /nfs/dbraw/zinc/92/84/80/294928480.db2.gz QXLCWVRYVOVVCB-LBPRGKRZSA-N -1 0 277.320 2.083 50 0 CEAARM C[C@]1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000237786630 300753755 /nfs/dbraw/zinc/75/37/55/300753755.db2.gz ZAZAOERZGQNFAW-DYVFJYSZSA-N -1 0 287.359 2.214 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])cc(C)c1O ZINC000426722404 301091996 /nfs/dbraw/zinc/09/19/96/301091996.db2.gz IGEOONPPACSLSQ-ZDUSSCGKSA-N -1 0 291.347 2.478 50 0 CEAARM Cc1cc(NC(=O)[C@@H]2CCO[C@@H](C)C2)ccc1C(=O)[O-] ZINC000262956525 301357945 /nfs/dbraw/zinc/35/79/45/301357945.db2.gz NMCJVEJPMRFMHM-WDEREUQCSA-N -1 0 277.320 2.447 50 0 CEAARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nc1 ZINC000000441680 301641486 /nfs/dbraw/zinc/64/14/86/301641486.db2.gz NPZXPBPVCPNFRC-MNOVXSKESA-N -1 0 262.309 2.220 50 0 CEAARM Cc1ccccc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000071731029 302077114 /nfs/dbraw/zinc/07/71/14/302077114.db2.gz KYMKBSPAUNQKGL-ZDUSSCGKSA-N -1 0 291.347 2.091 50 0 CEAARM Cc1nn(-c2ccccc2)c2nc(C(=O)[O-])ccc12 ZINC000070165069 302726609 /nfs/dbraw/zinc/72/66/09/302726609.db2.gz SANXAJKISVKWSP-UHFFFAOYSA-N -1 0 253.261 2.427 50 0 CEAARM Cn1nc(C(F)(F)F)c(C(=O)[O-])c1C(F)(F)F ZINC000074942055 303043579 /nfs/dbraw/zinc/04/35/79/303043579.db2.gz OTZATTFWXMXETB-UHFFFAOYSA-N -1 0 262.109 2.156 50 0 CEAARM NNc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl ZINC000001237658 303433398 /nfs/dbraw/zinc/43/33/98/303433398.db2.gz KBWNOFMJVVPCQQ-UHFFFAOYSA-N -1 0 256.476 2.026 50 0 CEAARM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(C)o1 ZINC000097231875 321694302 /nfs/dbraw/zinc/69/43/02/321694302.db2.gz YFFGLEWPGDAATH-MRVPVSSYSA-N -1 0 265.309 2.222 50 0 CEAARM Cc1cscc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237467080 500667540 /nfs/dbraw/zinc/66/75/40/500667540.db2.gz YZDVLHQYKUKYBP-QMMMGPOBSA-N -1 0 267.350 2.382 50 0 CEAARM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000096499607 528202216 /nfs/dbraw/zinc/20/22/16/528202216.db2.gz QJHRZVCIGJPYOJ-UHFFFAOYSA-N -1 0 282.321 2.263 50 0 CEAARM CC(C)c1nc(C(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000096479434 528258978 /nfs/dbraw/zinc/25/89/78/528258978.db2.gz UUBUIGVNJHQMIH-UHFFFAOYSA-N -1 0 282.365 2.203 50 0 CEAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000003135353 528520836 /nfs/dbraw/zinc/52/08/36/528520836.db2.gz IREIEJRTCAUKCC-UHFFFAOYSA-N -1 0 290.772 2.128 50 0 CEAARM CC(C)c1occc1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000263509940 535038391 /nfs/dbraw/zinc/03/83/91/535038391.db2.gz CCLYZDWPTIVFAU-UHFFFAOYSA-N -1 0 294.332 2.488 50 0 CEAARM CC(C)n1ccc(C(=O)N(CC(=O)[O-])c2ccccc2)n1 ZINC000261717699 535081053 /nfs/dbraw/zinc/08/10/53/535081053.db2.gz MZNZENRJXJKOHW-UHFFFAOYSA-N -1 0 287.319 2.195 50 0 CEAARM C[C@H]1c2ccc(C(=O)[O-])n2CCN1C(=O)OC(C)(C)C ZINC000669371622 570350698 /nfs/dbraw/zinc/35/06/98/570350698.db2.gz KRXCFRMXKJBUKZ-VIFPVBQESA-N -1 0 280.324 2.498 50 0 CEAARM C[C@H](Cc1c[nH]c2ccccc12)N1C[C@@H](C(=O)[O-])CC1=O ZINC000022205802 623226462 /nfs/dbraw/zinc/22/64/62/623226462.db2.gz CJGATUKXSYNNRM-PWSUYJOCSA-N -1 0 286.331 2.032 50 0 CEAARM O=C([O-])c1cc(C(=O)/C=C/c2csnn2)cs1 ZINC000084338610 627390218 /nfs/dbraw/zinc/39/02/18/627390218.db2.gz DZCXMIYEKCXNPG-OWOJBTEDSA-N -1 0 266.303 2.194 50 0 CEAARM CC(=O)CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000133983170 652752405 /nfs/dbraw/zinc/75/24/05/652752405.db2.gz RWMVBPSMWKOHNF-ZDUSSCGKSA-N -1 0 293.319 2.125 50 0 CEAARM Cc1nc(C)c(Cl)c(OCC(=O)[O-])c1Cl ZINC000072261818 813268073 /nfs/dbraw/zinc/26/80/73/813268073.db2.gz FTDRZNKEEBPLHM-UHFFFAOYSA-N -1 0 250.081 2.469 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)N2CCC(F)(F)CC2)cc1 ZINC000405111240 230402582 /nfs/dbraw/zinc/40/25/82/230402582.db2.gz NOEONMQYOGCCAX-UHFFFAOYSA-N -1 0 298.289 2.326 50 0 CEAARM O=C([O-])c1cnc(CNC(=O)OCc2ccccc2)s1 ZINC000095629888 185016987 /nfs/dbraw/zinc/01/69/87/185016987.db2.gz SCGGRPVGUJMOLY-UHFFFAOYSA-N -1 0 292.316 2.268 50 0 CEAARM O=C([O-])CCCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000034927198 361797708 /nfs/dbraw/zinc/79/77/08/361797708.db2.gz XCTGVXVKTZPJIM-UHFFFAOYSA-N -1 0 291.332 2.198 50 0 CEAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccon2)cc1 ZINC000097014493 185151297 /nfs/dbraw/zinc/15/12/97/185151297.db2.gz YNCVZCWDRXWAET-UHFFFAOYSA-N -1 0 274.276 2.289 50 0 CEAARM Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(C)s1 ZINC000037795738 361940598 /nfs/dbraw/zinc/94/05/98/361940598.db2.gz YWWNAHZLTGXCRU-XROYCOCOSA-N -1 0 267.350 2.263 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000097035542 185166047 /nfs/dbraw/zinc/16/60/47/185166047.db2.gz ULSSSBKIYIWWGS-KGLIPLIRSA-N -1 0 273.332 2.146 50 0 CEAARM O=[S@@]([O-])c1cnc(Cl)c(Br)c1 ZINC000149361994 539033648 /nfs/dbraw/zinc/03/36/48/539033648.db2.gz MBZKGYQRKCWZRO-UHFFFAOYSA-N -1 0 256.508 2.078 50 0 CEAARM O=C([O-])c1ncccc1Sc1ncccc1[N+](=O)[O-] ZINC000075278447 343845055 /nfs/dbraw/zinc/84/50/55/343845055.db2.gz XRYXFJWQVNBQLE-UHFFFAOYSA-N -1 0 277.261 2.234 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccco2)[C@H]1c1ccccc1 ZINC000049466596 362364534 /nfs/dbraw/zinc/36/45/34/362364534.db2.gz DYUIYZKUYIIHPN-HIFRSBDPSA-N -1 0 285.299 2.454 50 0 CEAARM CCC(=O)C1=C([O-])[C@H](c2cc(C)no2)C(C)(C)CC1=O ZINC000102785161 344251632 /nfs/dbraw/zinc/25/16/32/344251632.db2.gz YNZPZAVFSMVKPA-STQMWFEESA-N -1 0 277.320 2.230 50 0 CEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(OC)c(Cl)c1 ZINC000049879006 362382360 /nfs/dbraw/zinc/38/23/60/362382360.db2.gz YYJDWJLHXVMSTC-UHFFFAOYSA-N -1 0 281.699 2.190 50 0 CEAARM COc1nc(=NC(=O)Oc2ccccc2)s[n-]1 ZINC000148564450 344413896 /nfs/dbraw/zinc/41/38/96/344413896.db2.gz WLFZBSSDZNVOJT-UHFFFAOYSA-N -1 0 251.267 2.158 50 0 CEAARM Cc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000050921290 362424072 /nfs/dbraw/zinc/42/40/72/362424072.db2.gz OMWMVYKQGKLTLS-GFCCVEGCSA-N -1 0 276.336 2.250 50 0 CEAARM O=C([O-])[C@H](NC(=O)c1cccc(Cl)n1)c1ccccc1 ZINC000051067757 362424944 /nfs/dbraw/zinc/42/49/44/362424944.db2.gz NARMAUOFRPMYTI-GFCCVEGCSA-N -1 0 290.706 2.291 50 0 CEAARM CC(C)c1ncc(NC(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC000585134298 345006417 /nfs/dbraw/zinc/00/64/17/345006417.db2.gz LZYYRRHEHGJVIB-UHFFFAOYSA-N -1 0 299.330 2.479 50 0 CEAARM Cc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)[O-])cc1 ZINC000058159962 362609388 /nfs/dbraw/zinc/60/93/88/362609388.db2.gz PSPATXRUVDTZSZ-UHFFFAOYSA-N -1 0 294.310 2.451 50 0 CEAARM CC(C)[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000061411376 362680355 /nfs/dbraw/zinc/68/03/55/362680355.db2.gz OKIOCJBFSMBHQT-ZDUSSCGKSA-N -1 0 272.304 2.074 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)CCOc2cccc(Cl)c2)C1 ZINC000062118801 362709617 /nfs/dbraw/zinc/70/96/17/362709617.db2.gz LJLAZKXEQLCZJV-JTQLQIEISA-N -1 0 297.738 2.042 50 0 CEAARM CCCN1C(=O)c2ccccc2[C@H]1SCC(=O)[O-] ZINC000085430388 179059763 /nfs/dbraw/zinc/05/97/63/179059763.db2.gz CJQYLIIBVCWGFZ-CYBMUJFWSA-N -1 0 265.334 2.369 50 0 CEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000062869894 362728627 /nfs/dbraw/zinc/72/86/27/362728627.db2.gz CCVDZYUBZRTXHQ-CQSZACIVSA-N -1 0 296.392 2.477 50 0 CEAARM Cc1ccc(C)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062912868 362732994 /nfs/dbraw/zinc/73/29/94/362732994.db2.gz IPFKRUOMEZAHAV-HNNXBMFYSA-N -1 0 261.321 2.240 50 0 CEAARM Cc1cn(C)c(CC(=O)N(C)c2ccccc2)c1C(=O)[O-] ZINC000064980556 362800520 /nfs/dbraw/zinc/80/05/20/362800520.db2.gz AJVVYQGWZINFEQ-UHFFFAOYSA-N -1 0 286.331 2.237 50 0 CEAARM COc1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)cc1 ZINC000065288230 362807523 /nfs/dbraw/zinc/80/75/23/362807523.db2.gz SNYJVPDIMDRYSH-UHFFFAOYSA-N -1 0 296.286 2.036 50 0 CEAARM CC(C)Cc1nc(=NCc2cnc(Cl)cn2)s[n-]1 ZINC000328598161 201952735 /nfs/dbraw/zinc/95/27/35/201952735.db2.gz KONLAJSJQHLGOJ-UHFFFAOYSA-N -1 0 283.788 2.214 50 0 CEAARM CS(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000130125907 365926632 /nfs/dbraw/zinc/92/66/32/365926632.db2.gz SUBYERZHHZROSJ-UHFFFAOYSA-N -1 0 275.399 2.032 50 0 CEAARM CCC[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C(=O)[O-] ZINC000091656675 180217709 /nfs/dbraw/zinc/21/77/09/180217709.db2.gz NAGHWYDHDHSDAQ-VXGBXAGGSA-N -1 0 281.377 2.250 50 0 CEAARM CCC[C@@H]1CN(C(=O)c2ccc(OCC)o2)C[C@H]1C(=O)[O-] ZINC000091713788 180231682 /nfs/dbraw/zinc/23/16/82/180231682.db2.gz WHTZLOZVUKPMCF-GHMZBOCLSA-N -1 0 295.335 2.251 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCc2ccccc2F)C1 ZINC000108654720 186225754 /nfs/dbraw/zinc/22/57/54/186225754.db2.gz WGOIVFLDHDIVOQ-QWHCGFSZSA-N -1 0 293.338 2.375 50 0 CEAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccc2cc[nH]c2c1 ZINC000111287947 186390942 /nfs/dbraw/zinc/39/09/42/186390942.db2.gz FROWIEGWDNVOAE-UHFFFAOYSA-N -1 0 274.320 2.493 50 0 CEAARM O=C([O-])CCCCNC(=O)c1ccc2[nH]ccc2c1 ZINC000070196953 363053613 /nfs/dbraw/zinc/05/36/13/363053613.db2.gz FMOSLAGSVMUENX-UHFFFAOYSA-N -1 0 260.293 2.153 50 0 CEAARM Cc1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)[nH]n1 ZINC000070378676 363075979 /nfs/dbraw/zinc/07/59/79/363075979.db2.gz IADFSVCJXKPPNE-GFCCVEGCSA-N -1 0 287.319 2.054 50 0 CEAARM O=C([O-])[C@H]1CN(Cc2cc3ccccc3s2)CCO1 ZINC000072421731 363134613 /nfs/dbraw/zinc/13/46/13/363134613.db2.gz NFQGXZFNNUARSG-GFCCVEGCSA-N -1 0 277.345 2.187 50 0 CEAARM O=C([O-])C1(C(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000154932085 304027122 /nfs/dbraw/zinc/02/71/22/304027122.db2.gz DBFGMBTUDPZERQ-UHFFFAOYSA-N -1 0 251.326 2.034 50 0 CEAARM CCCc1ncc(C(=O)N2CCCC[C@@H]2C(=O)[O-])s1 ZINC000136468830 187879490 /nfs/dbraw/zinc/87/94/90/187879490.db2.gz BVJVPUJKMBGCDZ-SECBINFHSA-N -1 0 282.365 2.175 50 0 CEAARM O=C([O-])Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 ZINC000154888631 188167798 /nfs/dbraw/zinc/16/77/98/188167798.db2.gz HCNSMQPWFUSJMZ-HUUCEWRRSA-N -1 0 296.326 2.451 50 0 CEAARM O=C([O-])C1=NC(=O)N[C@H](c2ccccc2C(F)(F)F)C1 ZINC000005517573 304035920 /nfs/dbraw/zinc/03/59/20/304035920.db2.gz KJJLJLDTGDTRQV-QMMMGPOBSA-N -1 0 286.209 2.028 50 0 CEAARM COc1cc(F)c(NC(=O)c2ncccc2[O-])cc1F ZINC000131942372 366102630 /nfs/dbraw/zinc/10/26/30/366102630.db2.gz LTJNFLHVANLHFY-UHFFFAOYSA-N -1 0 280.230 2.326 50 0 CEAARM O=C([O-])CCCC(=O)N1C[C@H]2CCCN2c2ccccc21 ZINC000021782364 304045920 /nfs/dbraw/zinc/04/59/20/304045920.db2.gz KTMKQCIMAASAJG-GFCCVEGCSA-N -1 0 288.347 2.257 50 0 CEAARM O=C([O-])CCC(=O)c1cc(F)c(F)c(F)c1F ZINC000002580115 538745884 /nfs/dbraw/zinc/74/58/84/538745884.db2.gz ZLUZCDBISQJJQW-UHFFFAOYSA-N -1 0 250.147 2.291 50 0 CEAARM Cc1nc2c3c(cccc3F)nn2c(C)c1CC(=O)[O-] ZINC000079124151 363580860 /nfs/dbraw/zinc/58/08/60/363580860.db2.gz UVJLLGKZGDCTLI-UHFFFAOYSA-N -1 0 273.267 2.266 50 0 CEAARM CC[C@H](OC1CCCC1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136135590 366496985 /nfs/dbraw/zinc/49/69/85/366496985.db2.gz DQFOWBMZMBPFQU-AAEUAGOBSA-N -1 0 283.368 2.047 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000039361 361119954 /nfs/dbraw/zinc/11/99/54/361119954.db2.gz XHTHMZFBLNIKJC-SNAWJCMRSA-N -1 0 259.183 2.285 50 0 CEAARM COc1ccc(OCC(F)(F)F)c(C(=O)[O-])c1 ZINC000000164757 361138897 /nfs/dbraw/zinc/13/88/97/361138897.db2.gz HURIZVDDERDREG-UHFFFAOYSA-N -1 0 250.172 2.335 50 0 CEAARM Nc1cc(O)c([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000000395047 361169044 /nfs/dbraw/zinc/16/90/44/361169044.db2.gz SXNLGRVKWHELQM-UHFFFAOYSA-N -1 0 298.751 2.429 50 0 CEAARM O=C([O-])c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000000393558 361169482 /nfs/dbraw/zinc/16/94/82/361169482.db2.gz ZOFLWJXPXAHZLI-UHFFFAOYSA-N -1 0 291.328 2.327 50 0 in-vitro CEAARM CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000001420815 361204942 /nfs/dbraw/zinc/20/49/42/361204942.db2.gz ZVYVZEUADCRFHK-SNVBAGLBSA-N -1 0 257.330 2.498 50 0 CEAARM O=C([O-])COc1ccc(/C=C/[N+](=O)[O-])cc1Cl ZINC000000453849 361177352 /nfs/dbraw/zinc/17/73/52/361177352.db2.gz BRLSKRZYQZJIBM-ONEGZZNKSA-N -1 0 257.629 2.051 50 0 CEAARM COc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1F ZINC000000528367 361184635 /nfs/dbraw/zinc/18/46/35/361184635.db2.gz XESAFFNKGGECMX-UHFFFAOYSA-N -1 0 282.296 2.030 50 0 CEAARM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)n1 ZINC000000355807 361165267 /nfs/dbraw/zinc/16/52/67/361165267.db2.gz HXEPKKIZMYXXQG-UHFFFAOYSA-N -1 0 273.292 2.162 50 0 CEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000001561792 361207267 /nfs/dbraw/zinc/20/72/67/361207267.db2.gz INEQZXHNRRKKTA-KGLIPLIRSA-N -1 0 292.298 2.184 50 0 CEAARM CCCCCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001719756 361219811 /nfs/dbraw/zinc/21/98/11/361219811.db2.gz UEQCDARILLRIKA-UHFFFAOYSA-N -1 0 269.366 2.380 50 0 CEAARM C[C@H](NC(=O)c1cc(-c2ccccc2)sc1N)C(=O)[O-] ZINC000001930630 361224478 /nfs/dbraw/zinc/22/44/78/361224478.db2.gz JOXCHLOPXMGLFO-QMMMGPOBSA-N -1 0 290.344 2.200 50 0 CEAARM CC[C@@H](C)[C@H](NC(=O)NCCc1ccccc1F)C(=O)[O-] ZINC000002419143 361234463 /nfs/dbraw/zinc/23/44/63/361234463.db2.gz IPBVVBIJEZITGV-MFKMUULPSA-N -1 0 296.342 2.167 50 0 CEAARM COc1ccc(OCn2cc(Cl)c(C(=O)[O-])n2)cc1 ZINC000002535891 361239344 /nfs/dbraw/zinc/23/93/44/361239344.db2.gz LLIKKKKTVGAVDP-UHFFFAOYSA-N -1 0 282.683 2.280 50 0 CEAARM O=C([O-])[C@H](Cc1ccc(O)cc1)N1Cc2ccccc2C1=O ZINC000002597294 361242163 /nfs/dbraw/zinc/24/21/63/361242163.db2.gz MDZYHGGIYATKJI-HNNXBMFYSA-N -1 0 297.310 2.044 50 0 CEAARM C[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC000002583194 361242338 /nfs/dbraw/zinc/24/23/38/361242338.db2.gz URADCGNNXPUQAP-WDSKDSINSA-N -1 0 271.235 2.163 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000002583180 361242521 /nfs/dbraw/zinc/24/25/21/361242521.db2.gz IUFATHQIUYUCFE-SNVBAGLBSA-N -1 0 269.272 2.476 50 0 CEAARM CCC[C@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000002830963 361253583 /nfs/dbraw/zinc/25/35/83/361253583.db2.gz LLJGFJIKMPIKJH-SNVBAGLBSA-N -1 0 250.298 2.301 50 0 CEAARM CCCCOc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004579285 361321927 /nfs/dbraw/zinc/32/19/27/361321927.db2.gz HZSRSGFZUCTOOA-HJWRWDBZSA-N -1 0 263.293 2.445 50 0 CEAARM CCc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])oc1CC ZINC000237120505 370692234 /nfs/dbraw/zinc/69/22/34/370692234.db2.gz VHSVXCWCUHJNIU-SNVBAGLBSA-N -1 0 265.309 2.094 50 0 CEAARM C[C@@H]1CN(C(=O)CCC(=O)[O-])c2cc(Cl)ccc2O1 ZINC000006751601 361337768 /nfs/dbraw/zinc/33/77/68/361337768.db2.gz XYDPPYBFJGDEEN-MRVPVSSYSA-N -1 0 283.711 2.319 50 0 CEAARM CCc1cc(C(F)(F)F)c2c(C)nn(CC(=O)[O-])c2n1 ZINC000012396999 361382798 /nfs/dbraw/zinc/38/27/98/361382798.db2.gz QYIXIAYMJXPWQO-UHFFFAOYSA-N -1 0 287.241 2.406 50 0 CEAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2ncccc12 ZINC000012395075 361382802 /nfs/dbraw/zinc/38/28/02/361382802.db2.gz VPXXZIQSLKJXQK-UHFFFAOYSA-N -1 0 253.261 2.427 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)C1CC1)c1ccccc1Cl ZINC000013173460 361423327 /nfs/dbraw/zinc/42/33/27/361423327.db2.gz HYYGQHCYXBRDJC-LLVKDONJSA-N -1 0 267.712 2.382 50 0 CEAARM C[C@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000013419271 361427441 /nfs/dbraw/zinc/42/74/41/361427441.db2.gz MYPABYALCKESAU-JTQLQIEISA-N -1 0 289.287 2.234 50 0 CEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(OC)c1 ZINC000013536115 361430432 /nfs/dbraw/zinc/43/04/32/361430432.db2.gz RIVKVBZBVUJZCC-TZMCWYRMSA-N -1 0 277.320 2.079 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2ccon2)c(C)c1 ZINC000013947887 361446718 /nfs/dbraw/zinc/44/67/18/361446718.db2.gz DNAJJQYUNDXBFS-UHFFFAOYSA-N -1 0 252.295 2.092 50 0 CEAARM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000013059509 361418568 /nfs/dbraw/zinc/41/85/68/361418568.db2.gz NVDUMVGFCWZZSM-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM CC[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000016697416 361497283 /nfs/dbraw/zinc/49/72/83/361497283.db2.gz FVBDPMBKPSHZGD-LLVKDONJSA-N -1 0 251.282 2.166 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)[O-] ZINC000016697192 361497331 /nfs/dbraw/zinc/49/73/31/361497331.db2.gz PIDYYTCMUSVKTJ-JTQLQIEISA-N -1 0 299.298 2.052 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC000019429884 361534451 /nfs/dbraw/zinc/53/44/51/361534451.db2.gz DURGMDPFJYWHDW-NSHDSACASA-N -1 0 273.288 2.370 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000000293123 304107590 /nfs/dbraw/zinc/10/75/90/304107590.db2.gz KYLPETYBULKPEF-VXGBXAGGSA-N -1 0 253.342 2.280 50 0 CEAARM CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000026420995 361640038 /nfs/dbraw/zinc/64/00/38/361640038.db2.gz QQWJTZBAWKRZIO-UHFFFAOYSA-N -1 0 264.256 2.498 50 0 CEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCc2ccccc21 ZINC000085405468 363836259 /nfs/dbraw/zinc/83/62/59/363836259.db2.gz NHVVJDDAZPAJKV-OLZOCXBDSA-N -1 0 273.332 2.323 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC000037435307 304112109 /nfs/dbraw/zinc/11/21/09/304112109.db2.gz IUNDOBGDOJVOHC-KGLIPLIRSA-N -1 0 273.332 2.182 50 0 CEAARM C[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237532142 370730126 /nfs/dbraw/zinc/73/01/26/370730126.db2.gz DYIBUEAWEPFXBH-MFKMUULPSA-N -1 0 279.311 2.395 50 0 CEAARM CSCCCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237493249 370727007 /nfs/dbraw/zinc/72/70/07/370727007.db2.gz JOWMSFLZQYVQDC-NSHDSACASA-N -1 0 273.398 2.233 50 0 CEAARM C[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000237510933 370728000 /nfs/dbraw/zinc/72/80/00/370728000.db2.gz MZMMMEXDWLZKHE-QPUJVOFHSA-N -1 0 287.718 2.326 50 0 CEAARM O=C([O-])C1(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000237955628 370762597 /nfs/dbraw/zinc/76/25/97/370762597.db2.gz FLUAXZVROLPBHA-UWVGGRQHSA-N -1 0 279.723 2.177 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CC1CCOCC1 ZINC000238219648 370773973 /nfs/dbraw/zinc/77/39/73/370773973.db2.gz FDDZJJRMPDTEDX-ZDUSSCGKSA-N -1 0 283.368 2.049 50 0 CEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@H]1CCCCO1 ZINC000095031103 364324721 /nfs/dbraw/zinc/32/47/21/364324721.db2.gz ZDFZJAQYHBETPZ-CQSZACIVSA-N -1 0 291.347 2.302 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000095031164 364324761 /nfs/dbraw/zinc/32/47/61/364324761.db2.gz DKZCDYVVFJAIKU-QWHCGFSZSA-N -1 0 283.368 2.049 50 0 CEAARM COc1ccc(CNC(=O)c2ccsc2)cc1C(=O)[O-] ZINC000095348441 364341918 /nfs/dbraw/zinc/34/19/18/364341918.db2.gz CXLMGJCUZCYRCG-UHFFFAOYSA-N -1 0 291.328 2.385 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)c2cccc3c2OCO3)cc1 ZINC000095389815 364354740 /nfs/dbraw/zinc/35/47/40/364354740.db2.gz OVEQTQVJSSJWJY-UHFFFAOYSA-N -1 0 299.282 2.044 50 0 CEAARM CCN(CCc1ccccc1)C(=O)c1ccncc1[O-] ZINC000095449104 364382676 /nfs/dbraw/zinc/38/26/76/364382676.db2.gz RFCXKKGTLFWUIH-UHFFFAOYSA-N -1 0 270.332 2.492 50 0 CEAARM Cc1nc([C@@H](C)NC(=O)c2ccoc2)sc1C(=O)[O-] ZINC000097050127 364434000 /nfs/dbraw/zinc/43/40/00/364434000.db2.gz WMDZTMCKSVHMKR-SSDOTTSWSA-N -1 0 280.305 2.234 50 0 CEAARM CCOc1cccc(NC(=O)/N=c2\[n-]nc3ccccn32)c1 ZINC000097103626 364450577 /nfs/dbraw/zinc/45/05/77/364450577.db2.gz VKQKJYPYDUMRGA-UHFFFAOYSA-N -1 0 297.318 2.194 50 0 CEAARM C[C@H](c1ccccn1)N(C)Cc1cccc(C(=O)[O-])n1 ZINC000097773219 364519237 /nfs/dbraw/zinc/51/92/37/364519237.db2.gz DGCAZDXGYFZQIH-LLVKDONJSA-N -1 0 271.320 2.368 50 0 CEAARM CC(C)c1nc(CN[C@H](C(=O)[O-])c2ccccc2)no1 ZINC000050511688 541366093 /nfs/dbraw/zinc/36/60/93/541366093.db2.gz MDFXIBCTXADNKE-LBPRGKRZSA-N -1 0 275.308 2.109 50 0 CEAARM Cc1ncsc1CN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000111673694 364752327 /nfs/dbraw/zinc/75/23/27/364752327.db2.gz FALKHRJXNHPKBE-GHMZBOCLSA-N -1 0 296.392 2.301 50 0 CEAARM Cc1nc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000165366725 367307553 /nfs/dbraw/zinc/30/75/53/367307553.db2.gz ZQIHNHJEKMNGJG-LLVKDONJSA-N -1 0 296.392 2.097 50 0 CEAARM CC(C)c1nc(/C=C\c2csnn2)ncc1C(=O)[O-] ZINC000345659123 368362877 /nfs/dbraw/zinc/36/28/77/368362877.db2.gz IOTKMQOMJHSOIK-ARJAWSKDSA-N -1 0 276.321 2.320 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1CCCCO1 ZINC000227858941 304141081 /nfs/dbraw/zinc/14/10/81/304141081.db2.gz QSMAWXTVEATDLI-XUXIUFHCSA-N -1 0 295.379 2.190 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC[C@@H]1CCCO1 ZINC000252431778 304143682 /nfs/dbraw/zinc/14/36/82/304143682.db2.gz PPNACKQKFHGRMB-FQUUOJAGSA-N -1 0 295.379 2.190 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000195541505 370138299 /nfs/dbraw/zinc/13/82/99/370138299.db2.gz NRADFMWOJMFIJW-ZJUUUORDSA-N -1 0 297.301 2.392 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000195541391 370138886 /nfs/dbraw/zinc/13/88/86/370138886.db2.gz SFFGPDZVHGQMLO-KOLCDFICSA-N -1 0 283.274 2.049 50 0 CEAARM C/C(=C\C(=O)N(C)C[C@H](C)C(=O)[O-])c1cccc(F)c1 ZINC000221918432 370247366 /nfs/dbraw/zinc/24/73/66/370247366.db2.gz JWZFMYIQNVRUFE-HUYFXPKMSA-N -1 0 279.311 2.408 50 0 CEAARM CC(C)C[C@H](NC(=O)c1cccc2c1ccn2C)C(=O)[O-] ZINC000217816572 370201725 /nfs/dbraw/zinc/20/17/25/370201725.db2.gz GBCCWXVRFRZBGX-ZDUSSCGKSA-N -1 0 288.347 2.407 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2COc3ccccc32)C1 ZINC000226850728 370353190 /nfs/dbraw/zinc/35/31/90/370353190.db2.gz LADFQHXIMILKGF-DMDPSCGWSA-N -1 0 289.331 2.127 50 0 CEAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000253370141 371511546 /nfs/dbraw/zinc/51/15/46/371511546.db2.gz MPFJZZBXKIQBQV-NDBYEHHHSA-N -1 0 265.353 2.182 50 0 CEAARM CCCCNC(=S)N(C)N=Cc1ccccc1C(=O)[O-] ZINC000254398371 371536036 /nfs/dbraw/zinc/53/60/36/371536036.db2.gz BOBXRLCTTBGSCD-UHFFFAOYSA-N -1 0 293.392 2.325 50 0 CEAARM CC(C)Oc1ccc(N(C)C(=O)[C@H](C)C(=O)[O-])cc1 ZINC000258762186 371619285 /nfs/dbraw/zinc/61/92/85/371619285.db2.gz RDZNNQLREJZDHH-JTQLQIEISA-N -1 0 265.309 2.157 50 0 CEAARM Cc1nscc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262872476 371917263 /nfs/dbraw/zinc/91/72/63/371917263.db2.gz FUPKGDQFUSTDFI-SNVBAGLBSA-N -1 0 282.365 2.311 50 0 CEAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2csc(C)c2C)C1 ZINC000262866567 371917653 /nfs/dbraw/zinc/91/76/53/371917653.db2.gz ASVAJKQUSKZDGE-WDEREUQCSA-N -1 0 297.376 2.069 50 0 CEAARM COc1cccc(/C(C)=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000237351857 189873337 /nfs/dbraw/zinc/87/33/37/189873337.db2.gz OQJNXYTXMHRKIM-RUNBWSAHSA-N -1 0 289.331 2.032 50 0 CEAARM CC(C)(NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000268945685 372297574 /nfs/dbraw/zinc/29/75/74/372297574.db2.gz MOFNCGPNUNVRKM-IUCAKERBSA-N -1 0 283.274 2.037 50 0 CEAARM COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268913727 372283695 /nfs/dbraw/zinc/28/36/95/372283695.db2.gz OPGAPJMNCWMYNC-GHMZBOCLSA-N -1 0 297.738 2.028 50 0 CEAARM O=C([O-])CN(C(=O)CC1CCCCCC1)C1CCOCC1 ZINC000238095847 189899220 /nfs/dbraw/zinc/89/92/20/189899220.db2.gz QVZDGTFXHLKULS-UHFFFAOYSA-N -1 0 297.395 2.439 50 0 CEAARM CCc1cc(C)c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000195551922 321820405 /nfs/dbraw/zinc/82/04/05/321820405.db2.gz FGWOFMBZCKACNT-JTQLQIEISA-N -1 0 279.336 2.476 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC000021963377 304179066 /nfs/dbraw/zinc/17/90/66/304179066.db2.gz IKBBNHNPZIDCAB-LLVKDONJSA-N -1 0 267.712 2.419 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000020214654 304186025 /nfs/dbraw/zinc/18/60/25/304186025.db2.gz IXUFUSUCQXSUHI-SSDOTTSWSA-N -1 0 277.107 2.011 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000062119146 304191711 /nfs/dbraw/zinc/19/17/11/304191711.db2.gz GRDBABNIQHUZAN-GXTWGEPZSA-N -1 0 273.332 2.040 50 0 CEAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccnc2)N1 ZINC000000188045 304205645 /nfs/dbraw/zinc/20/56/45/304205645.db2.gz XQRUJLXAOIVJQB-HUUCEWRRSA-N -1 0 293.326 2.251 50 0 CEAARM C[C@@H]1CC(=O)c2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000000088699 296272387 /nfs/dbraw/zinc/27/23/87/296272387.db2.gz OGCXVLMNLBRCIN-RXMQYKEDSA-N -1 0 293.225 2.125 50 0 CEAARM Cc1ccc(C)c([C@H]2CN(CC(=O)[O-])[C@H](C)CO2)c1 ZINC000266597826 190270227 /nfs/dbraw/zinc/27/02/27/190270227.db2.gz OYLYAURNQRPLJY-TZMCWYRMSA-N -1 0 263.337 2.150 50 0 CEAARM O=C([O-])c1cc(=O)c2cc(F)cc(Br)c2[nH]1 ZINC000071025660 304220522 /nfs/dbraw/zinc/22/05/22/304220522.db2.gz QDLTZLVGRSIQRV-UHFFFAOYSA-N -1 0 286.056 2.128 50 0 CEAARM O=C([O-])[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000000011012 169506018 /nfs/dbraw/zinc/50/60/18/169506018.db2.gz OZWKMVRBQXNZKK-NSHDSACASA-N -1 0 255.273 2.291 50 0 fda CEAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006668831 304226585 /nfs/dbraw/zinc/22/65/85/304226585.db2.gz YXASLWSDVISGRX-UHFFFAOYSA-N -1 0 289.378 2.011 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000048194702 304234587 /nfs/dbraw/zinc/23/45/87/304234587.db2.gz LEXXKSOWPZUZDC-NXEZZACHSA-N -1 0 295.360 2.230 50 0 CEAARM O=C([O-])c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000019264759 304247943 /nfs/dbraw/zinc/24/79/43/304247943.db2.gz SDFKTGIILHNYDY-CQSZACIVSA-N -1 0 283.283 2.327 50 0 CEAARM O=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000000194139 304251760 /nfs/dbraw/zinc/25/17/60/304251760.db2.gz KGHOAEZOEVGKMU-UHFFFAOYSA-N -1 0 281.267 2.181 50 0 CEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000271978621 304257381 /nfs/dbraw/zinc/25/73/81/304257381.db2.gz YKBYFMWNLBAPAN-MJBXVCDLSA-N -1 0 289.331 2.072 50 0 CEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000271978619 304257522 /nfs/dbraw/zinc/25/75/22/304257522.db2.gz YKBYFMWNLBAPAN-BFHYXJOUSA-N -1 0 289.331 2.072 50 0 CEAARM O=C([O-])c1cccc(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000070531428 304257703 /nfs/dbraw/zinc/25/77/03/304257703.db2.gz IGIZDBIOYTXGNQ-CYBMUJFWSA-N -1 0 283.283 2.248 50 0 CEAARM O=C([O-])c1ccccc1-n1cnc2ccccc2c1=O ZINC000002932837 304266886 /nfs/dbraw/zinc/26/68/86/304266886.db2.gz DLLDDNSULBLDMB-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM O=C([O-])c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O ZINC000005042955 304274354 /nfs/dbraw/zinc/27/43/54/304274354.db2.gz NMASXYCNDJMMFR-UHFFFAOYSA-N -1 0 283.205 2.452 50 0 in-vitro CEAARM CC(C)C[C@H](NC(=O)Nc1ccccc1F)C(=O)[O-] ZINC000000540100 169665077 /nfs/dbraw/zinc/66/50/77/169665077.db2.gz PCLXFCAGUOWYSZ-NSHDSACASA-N -1 0 268.288 2.447 50 0 CEAARM O=C([O-])COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000752019 169677590 /nfs/dbraw/zinc/67/75/90/169677590.db2.gz NFCQPDFGZBYNKQ-UHFFFAOYSA-N -1 0 271.272 2.402 50 0 CEAARM Cc1ccc(Cl)c(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000191562292 130254557 /nfs/dbraw/zinc/25/45/57/130254557.db2.gz KEZAEINODBLDQJ-UHFFFAOYSA-N -1 0 253.685 2.452 50 0 CEAARM CC(C)c1cc(C(=O)Nc2ccccc2CC(=O)[O-])n[nH]1 ZINC000236619316 130962829 /nfs/dbraw/zinc/96/28/29/130962829.db2.gz RJTUHNKDDFQNKL-UHFFFAOYSA-N -1 0 287.319 2.413 50 0 CEAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238177246 131078932 /nfs/dbraw/zinc/07/89/32/131078932.db2.gz XAKXJAMLKRVHAE-YUMQZZPRSA-N -1 0 285.702 2.174 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000262043904 131186695 /nfs/dbraw/zinc/18/66/95/131186695.db2.gz ARVNMGPIKZAUMN-JHJVBQTASA-N -1 0 277.295 2.210 50 0 CEAARM COC1CCC(N(C)C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000262320513 131211662 /nfs/dbraw/zinc/21/16/62/131211662.db2.gz RUVCJDBXHWEBAP-UHFFFAOYSA-N -1 0 291.347 2.414 50 0 CEAARM Cc1ccoc1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263493092 131295029 /nfs/dbraw/zinc/29/50/29/131295029.db2.gz XGVYMESMDGAKHE-ZDUSSCGKSA-N -1 0 287.315 2.356 50 0 CEAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccccc1CC(=O)[O-] ZINC000263577579 131299159 /nfs/dbraw/zinc/29/91/59/131299159.db2.gz ROYUZFITESLRJO-WFASDCNBSA-N -1 0 291.347 2.313 50 0 CEAARM COC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000021985643 394474420 /nfs/dbraw/zinc/47/44/20/394474420.db2.gz DUKAAWDFGPMTJT-UHFFFAOYSA-N -1 0 282.093 2.077 50 0 CEAARM CC(C)[C@H]1SC[C@H](C(=O)[O-])N1C(=O)c1ccccc1F ZINC000035111864 394493086 /nfs/dbraw/zinc/49/30/86/394493086.db2.gz MKSUAKXPYFNVQD-DGCLKSJQSA-N -1 0 297.351 2.450 50 0 CEAARM CC(C)[C@]1(C)CC(=O)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000035281990 394493826 /nfs/dbraw/zinc/49/38/26/394493826.db2.gz WXGHNHPDKHQVIG-BBRMVZONSA-N -1 0 289.331 2.234 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1ccsc1 ZINC000096402421 394680866 /nfs/dbraw/zinc/68/08/66/394680866.db2.gz ZCCYWQJHPCUVLJ-ZWNMCFTASA-N -1 0 265.334 2.227 50 0 CEAARM CC(C)=C[C@@H]1[C@@H](C(=O)N(C)CCC(=O)[O-])C1(C)C ZINC000097018590 394699214 /nfs/dbraw/zinc/69/92/14/394699214.db2.gz LNICEQPDYJFLND-PWSUYJOCSA-N -1 0 253.342 2.158 50 0 CEAARM CCN(C[C@H](C)C(=O)[O-])C(=O)CO[C@@H]1CCCC[C@H]1C ZINC000108118206 400267435 /nfs/dbraw/zinc/26/74/35/400267435.db2.gz XTEPQQVHOYSZNX-FRRDWIJNSA-N -1 0 285.384 2.151 50 0 CEAARM CCO[N-]C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000044891595 286184210 /nfs/dbraw/zinc/18/42/10/286184210.db2.gz TWBYJMNHOVLEBM-UHFFFAOYSA-N -1 0 287.241 2.123 50 0 CEAARM C[C@@H](CN(C)c1ncc(C(F)(F)F)s1)C(=O)[O-] ZINC000263557053 154126255 /nfs/dbraw/zinc/12/62/55/154126255.db2.gz OZWNXOOUBBDIAP-YFKPBYRVSA-N -1 0 268.260 2.319 50 0 CEAARM C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000017986684 296748166 /nfs/dbraw/zinc/74/81/66/296748166.db2.gz WOFONWUCBAKESQ-OASPWFOLSA-N -1 0 287.315 2.310 50 0 CEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1sccc1C ZINC000009531945 292517471 /nfs/dbraw/zinc/51/74/71/292517471.db2.gz XLXIMTQWKKNCLF-ZYHUDNBSSA-N -1 0 297.376 2.067 50 0 CEAARM Cn1ncc(Cl)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002765852 169827501 /nfs/dbraw/zinc/82/75/01/169827501.db2.gz ZWCNCQBFPDKSQE-UHFFFAOYSA-N -1 0 279.683 2.024 50 0 CEAARM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cn1 ZINC000003230675 169869783 /nfs/dbraw/zinc/86/97/83/169869783.db2.gz BRBUPHHFPYGEHZ-UHFFFAOYSA-N -1 0 292.335 2.454 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004204552 169943839 /nfs/dbraw/zinc/94/38/39/169943839.db2.gz RQEOMJWWVKNKPX-PCPABOIYSA-N -1 0 277.364 2.278 50 0 CEAARM CCOCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000004864236 170032533 /nfs/dbraw/zinc/03/25/33/170032533.db2.gz NAJNDFFYKYNEFL-UHFFFAOYSA-N -1 0 264.350 2.486 50 0 CEAARM C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005429011 170098495 /nfs/dbraw/zinc/09/84/95/170098495.db2.gz FSWQIRAILVPQQO-JTQLQIEISA-N -1 0 274.320 2.080 50 0 CEAARM CSc1nc(C)cc(OCc2n[n-]c(=S)o2)n1 ZINC000005537581 170110406 /nfs/dbraw/zinc/11/04/06/170110406.db2.gz JIFVNLNUBOSTJK-UHFFFAOYSA-N -1 0 270.339 2.132 50 0 CEAARM Cc1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000005541163 170110814 /nfs/dbraw/zinc/11/08/14/170110814.db2.gz UGYJLXJVXAIFMI-KGLIPLIRSA-N -1 0 273.332 2.278 50 0 CEAARM O=C([O-])CCCCCNC(=O)c1ccc(F)cc1F ZINC000006634557 170220199 /nfs/dbraw/zinc/22/01/99/170220199.db2.gz VJAXACPKEBLMIK-UHFFFAOYSA-N -1 0 271.263 2.340 50 0 CEAARM O=C([O-])CCCn1cc(NC(=O)c2ccccc2)cn1 ZINC000006727323 170233528 /nfs/dbraw/zinc/23/35/28/170233528.db2.gz LICFXMIFEZDAHN-UHFFFAOYSA-N -1 0 273.292 2.000 50 0 CEAARM CSc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000006737285 170236559 /nfs/dbraw/zinc/23/65/59/170236559.db2.gz RQOAYTDJZLXJFR-UHFFFAOYSA-N -1 0 289.316 2.149 50 0 CEAARM Nc1c(-c2n[n-]c(=S)o2)cnn1-c1ccccc1 ZINC000008382917 170334222 /nfs/dbraw/zinc/33/42/22/170334222.db2.gz WOYLTDQHGCCMGZ-UHFFFAOYSA-N -1 0 259.294 2.167 50 0 CEAARM COc1cc(Br)c(OC)c(C(=O)[O-])c1 ZINC000008981509 170360376 /nfs/dbraw/zinc/36/03/76/170360376.db2.gz AGCIKSLLGORHBC-UHFFFAOYSA-N -1 0 261.071 2.165 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000009053659 170362451 /nfs/dbraw/zinc/36/24/51/170362451.db2.gz LURCKRYURXFIRT-NSHDSACASA-N -1 0 272.304 2.105 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccccc1OC[C@@H]1CCCO1 ZINC000010155718 170399004 /nfs/dbraw/zinc/39/90/04/170399004.db2.gz CXAXODVOTDDUDG-NSHDSACASA-N -1 0 293.319 2.048 50 0 CEAARM COc1ccc(OCc2cc(C)on2)c(C(=O)[O-])c1 ZINC000013035674 170529780 /nfs/dbraw/zinc/52/97/80/170529780.db2.gz NSIFCXDSWWOEKW-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000013171227 170539090 /nfs/dbraw/zinc/53/90/90/170539090.db2.gz NIOLPQDAEOCDLK-OAHLLOKOSA-N -1 0 287.359 2.041 50 0 CEAARM CSCc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013171008 170539142 /nfs/dbraw/zinc/53/91/42/170539142.db2.gz WUMKGLKJWSIINX-CYBMUJFWSA-N -1 0 293.388 2.486 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(C)cc2C(=O)[O-])no1 ZINC000020251435 171103931 /nfs/dbraw/zinc/10/39/31/171103931.db2.gz UALFQHYXXNRPIP-UHFFFAOYSA-N -1 0 260.249 2.242 50 0 CEAARM CC(C)(C)c1cc(NC(=O)CCCC(=O)[O-])no1 ZINC000028225737 171551711 /nfs/dbraw/zinc/55/17/11/171551711.db2.gz UHIJWROZGQYTRX-UHFFFAOYSA-N -1 0 254.286 2.166 50 0 CEAARM O=C([O-])c1ccc(C(=O)NCCc2ccccc2F)cc1 ZINC000035085196 171972671 /nfs/dbraw/zinc/97/26/71/171972671.db2.gz CASRSRPGWXNTFH-UHFFFAOYSA-N -1 0 287.290 2.496 50 0 CEAARM CCC[C@](C)(NC(=O)c1ccc(COC)cc1)C(=O)[O-] ZINC000036339111 172623116 /nfs/dbraw/zinc/62/31/16/172623116.db2.gz WBARQVICWKHNBZ-HNNXBMFYSA-N -1 0 279.336 2.206 50 0 CEAARM CSCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000037410403 173187007 /nfs/dbraw/zinc/18/70/07/173187007.db2.gz QFIBUESAYIQDQN-LBPRGKRZSA-N -1 0 279.361 2.239 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000037410703 173187388 /nfs/dbraw/zinc/18/73/88/173187388.db2.gz RCWIFFBYMLCCMI-GWJCSSMESA-N -1 0 277.295 2.305 50 0 CEAARM O=C([O-])c1ccc(NC(=O)C[C@@H]2Cn3cccc3C2=O)cc1 ZINC000039931087 174174869 /nfs/dbraw/zinc/17/48/69/174174869.db2.gz NKSGCKFVSCISOM-LLVKDONJSA-N -1 0 298.298 2.028 50 0 CEAARM O=C([O-])c1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000040503357 174299639 /nfs/dbraw/zinc/29/96/39/174299639.db2.gz HDORBKGPEBLZMQ-UHFFFAOYSA-N -1 0 263.171 2.496 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000122924158 414792447 /nfs/dbraw/zinc/79/24/47/414792447.db2.gz VRGSBFQBYDYVBR-STQMWFEESA-N -1 0 299.330 2.018 50 0 CEAARM CCc1sc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1C ZINC000043510533 175060060 /nfs/dbraw/zinc/06/00/60/175060060.db2.gz CRENAPUZHCJVQG-ZDUSSCGKSA-N -1 0 299.417 2.309 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000043589668 175073484 /nfs/dbraw/zinc/07/34/84/175073484.db2.gz QORDEUKPZJAMAJ-STQMWFEESA-N -1 0 265.353 2.446 50 0 CEAARM Cc1cccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000049474958 175482116 /nfs/dbraw/zinc/48/21/16/175482116.db2.gz JSXIHYVWQLFCHO-ZDUSSCGKSA-N -1 0 261.321 2.003 50 0 CEAARM O=C([O-])[C@H](CNC(=O)C1CC2(CC2)C1)c1ccc(F)cc1 ZINC000659152746 415423225 /nfs/dbraw/zinc/42/32/25/415423225.db2.gz VZNIKIKJVBNFTI-CYBMUJFWSA-N -1 0 291.322 2.300 50 0 CEAARM CCSCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000059139143 175630930 /nfs/dbraw/zinc/63/09/30/175630930.db2.gz XTAPCWRFUZKDJM-LLVKDONJSA-N -1 0 267.350 2.013 50 0 CEAARM Cc1ccc(C)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062912867 175677374 /nfs/dbraw/zinc/67/73/74/175677374.db2.gz IPFKRUOMEZAHAV-OAHLLOKOSA-N -1 0 261.321 2.240 50 0 CEAARM O=C([O-])CCNc1nnc(Cc2ccccc2)s1 ZINC000071716454 176249880 /nfs/dbraw/zinc/24/98/80/176249880.db2.gz QVTWVICQYZKILE-UHFFFAOYSA-N -1 0 263.322 2.016 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000019427567 227349300 /nfs/dbraw/zinc/34/93/00/227349300.db2.gz BEAFAQURNJCAOY-FZKGZDJFSA-N -1 0 279.723 2.429 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000213920492 260069025 /nfs/dbraw/zinc/06/90/25/260069025.db2.gz GDKFBXQXZZJJJI-IYKSTZQJSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000019981968 260115496 /nfs/dbraw/zinc/11/54/96/260115496.db2.gz WCQLXRAKIDQDJX-MRVPVSSYSA-N -1 0 284.262 2.293 50 0 CEAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1sccc1C ZINC000022637546 278074974 /nfs/dbraw/zinc/07/49/74/278074974.db2.gz ZMHHJEIZBUKINP-SCZZXKLOSA-N -1 0 271.363 2.104 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@]2(CC2(F)F)C[C@@H]1C(=O)[O-] ZINC000214833464 278417659 /nfs/dbraw/zinc/41/76/59/278417659.db2.gz OXXSWURHJYLTIL-HQJQHLMTSA-N -1 0 277.267 2.106 50 0 CEAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])[C@H]2CCCO[C@@H]2C1(C)C ZINC000095946490 278444782 /nfs/dbraw/zinc/44/47/82/278444782.db2.gz HXIDJHXBOPLOGY-YHAQOWFVSA-N -1 0 299.367 2.170 50 0 CEAARM CC(C)(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000040909443 278631650 /nfs/dbraw/zinc/63/16/50/278631650.db2.gz YOHAKJQAFFXFKQ-UHFFFAOYSA-N -1 0 275.226 2.298 50 0 CEAARM CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000004992674 288338266 /nfs/dbraw/zinc/33/82/66/288338266.db2.gz LIDGVFDRTAXEDB-FSPLSTOPSA-N -1 0 263.219 2.279 50 0 CEAARM CCc1cc2c(nc3ccc(C(=O)[O-])cn3c2=O)s1 ZINC000028004870 288526120 /nfs/dbraw/zinc/52/61/20/288526120.db2.gz PVOGBAOABMZVSH-UHFFFAOYSA-N -1 0 274.301 2.170 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])C1 ZINC000239425813 297354622 /nfs/dbraw/zinc/35/46/22/297354622.db2.gz VHLOFPCUCDQZIB-YVECIDJPSA-N -1 0 267.369 2.382 50 0 CEAARM C[C@H](CC(=O)[O-])CC(=O)NCCC1=CCCCC1 ZINC000004680930 298309696 /nfs/dbraw/zinc/30/96/96/298309696.db2.gz GTAKQHFORHTDFY-NSHDSACASA-N -1 0 253.342 2.494 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000253370145 298367390 /nfs/dbraw/zinc/36/73/90/298367390.db2.gz MQTMTLXQTHCWHR-OPRDCNLKSA-N -1 0 297.301 2.438 50 0 CEAARM Cc1cc(-c2cc(=O)n(-c3ccccc3)[n-]2)n(C)n1 ZINC000002537045 301033914 /nfs/dbraw/zinc/03/39/14/301033914.db2.gz OMGDAGBFTGJOOV-UHFFFAOYSA-N -1 0 254.293 2.287 50 0 CEAARM Cc1cc(=O)n2cc(-c3ccccc3)nc2n1[C@@H](C)C(=O)[O-] ZINC000012359737 301067617 /nfs/dbraw/zinc/06/76/17/301067617.db2.gz PWXJJFNTACOEIO-NSHDSACASA-N -1 0 297.314 2.117 50 0 CEAARM Cc1cc2nc(N3CC[C@@H](C(=O)[O-])C3)oc2c(C)c1 ZINC000263486038 301461956 /nfs/dbraw/zinc/46/19/56/301461956.db2.gz HLDWMGUIDGKAFQ-SNVBAGLBSA-N -1 0 260.293 2.356 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1C ZINC000050921624 301499234 /nfs/dbraw/zinc/49/92/34/301499234.db2.gz RGGPKTFSQIGVPZ-GFCCVEGCSA-N -1 0 278.352 2.193 50 0 CEAARM Cc1ccc([C@@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc1 ZINC000013639011 301723695 /nfs/dbraw/zinc/72/36/95/301723695.db2.gz NXSIUBVKCPDWHG-NSHDSACASA-N -1 0 297.310 2.294 50 0 CEAARM Cc1cccnc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005936204 302240776 /nfs/dbraw/zinc/24/07/76/302240776.db2.gz NLXLDLZKOHEWNG-MNOVXSKESA-N -1 0 262.309 2.220 50 0 CEAARM Cc1occc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000106508846 302875693 /nfs/dbraw/zinc/87/56/93/302875693.db2.gz LVKMHZIZTOTZDO-WXHSDQCUSA-N -1 0 277.320 2.446 50 0 CEAARM Nc1cc(Br)c(Br)cc1C(=O)[O-] ZINC000002566108 303493007 /nfs/dbraw/zinc/49/30/07/303493007.db2.gz RJQGTUPMSDNELX-UHFFFAOYSA-N -1 0 294.930 2.492 50 0 CEAARM C[C@H](CC(=O)[O-])NC(=O)C(C)(C)c1cccc(F)c1 ZINC000096480387 533697349 /nfs/dbraw/zinc/69/73/49/533697349.db2.gz BZAQQCCNUSROSI-SECBINFHSA-N -1 0 267.300 2.083 50 0 CEAARM Cc1cc(C)n(C2CN(Cc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000534587848 328316404 /nfs/dbraw/zinc/31/64/04/328316404.db2.gz RNHLRJIEYDSPQW-UHFFFAOYSA-N -1 0 285.347 2.255 50 0 CEAARM COc1ccc(C(=O)[O-])nc1-c1ccnc2[nH]ccc21 ZINC000534652502 328338267 /nfs/dbraw/zinc/33/82/67/328338267.db2.gz PSNRANUQOOBWSG-UHFFFAOYSA-N -1 0 269.260 2.332 50 0 CEAARM COc1ccc(CC[C@H](C)[NH2+]Cc2n[n-]c(=N)s2)cc1 ZINC000534656690 328340165 /nfs/dbraw/zinc/34/01/65/328340165.db2.gz LHMRRPLBIBSOIC-JTQLQIEISA-N -1 0 292.408 2.070 50 0 CEAARM O=C([O-])c1nc2ccccn2c1-c1ccc2c(c1)OCCO2 ZINC000534667008 328345710 /nfs/dbraw/zinc/34/57/10/328345710.db2.gz QJBBENOPYWLUQD-UHFFFAOYSA-N -1 0 296.282 2.471 50 0 CEAARM CC(=O)Nc1cccc(-c2cncc(C(=O)[O-])c2)c1 ZINC000032919061 326898542 /nfs/dbraw/zinc/89/85/42/326898542.db2.gz PJRRYPBOKQECTF-UHFFFAOYSA-N -1 0 256.261 2.405 50 0 CEAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccccc2)cc1 ZINC000000399878 333313066 /nfs/dbraw/zinc/31/30/66/333313066.db2.gz ZVVAUSXHYOKZSR-UHFFFAOYSA-N -1 0 290.340 2.352 50 0 in-vivo CEAARM CC(C)(C)c1ncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000236640741 519110288 /nfs/dbraw/zinc/11/02/88/519110288.db2.gz MOHOWIIWXNIRKJ-AWEZNQCLSA-N -1 0 296.392 2.377 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000096480071 527897615 /nfs/dbraw/zinc/89/76/15/527897615.db2.gz OYLMDOLYHVMFNN-UHFFFAOYSA-N -1 0 292.310 2.173 50 0 CEAARM CCC1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CC1 ZINC000311626742 601445619 /nfs/dbraw/zinc/44/56/19/601445619.db2.gz NKZVLYMSAXSQFP-UHFFFAOYSA-N -1 0 259.305 2.464 50 0 CEAARM O=C([O-])c1cccn1C1CCN(C(=O)OCC2CC2)CC1 ZINC000905994354 636563415 /nfs/dbraw/zinc/56/34/15/636563415.db2.gz UYMPYTYIKXUBTB-UHFFFAOYSA-N -1 0 292.335 2.370 50 0 CEAARM CC[C@H]1CC[C@@H](C)N1C(=O)c1csc(C(=O)[O-])n1 ZINC000227273889 639580252 /nfs/dbraw/zinc/58/02/52/639580252.db2.gz BJKVJFHBLQHUEM-SFYZADRCSA-N -1 0 268.338 2.244 50 0 CEAARM CCSCC[C@@H](C)NC(=O)c1csc(C(=O)[O-])n1 ZINC000227276153 639580355 /nfs/dbraw/zinc/58/03/55/639580355.db2.gz CJKVZIHJRWAGQS-SSDOTTSWSA-N -1 0 288.394 2.103 50 0 CEAARM O=C([O-])C[C@@H]1CCCCN(Cc2ccccc2)C1=O ZINC000169749864 639634038 /nfs/dbraw/zinc/63/40/38/639634038.db2.gz HLVOMXWQHQYFKX-ZDUSSCGKSA-N -1 0 261.321 2.290 50 0 CEAARM Cn1nncc1/C=C/c1cc(C(=O)[O-])c2ccc(F)cc2n1 ZINC000170023573 639650664 /nfs/dbraw/zinc/65/06/64/639650664.db2.gz JMDHKYDNGVKTLT-ONEGZZNKSA-N -1 0 298.277 2.371 50 0 CEAARM CC(=O)CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000133983360 652752379 /nfs/dbraw/zinc/75/23/79/652752379.db2.gz RWMVBPSMWKOHNF-CYBMUJFWSA-N -1 0 293.319 2.125 50 0 CEAARM Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cn1 ZINC000097017958 230386599 /nfs/dbraw/zinc/38/65/99/230386599.db2.gz SWDGOXSZBRZHSD-UHFFFAOYSA-N -1 0 284.315 2.117 50 0 CEAARM Cc1ccccc1Cn1nnc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000001424510 230366785 /nfs/dbraw/zinc/36/67/85/230366785.db2.gz BJXFMGZBTLQREZ-UHFFFAOYSA-N -1 0 294.314 2.395 50 0 CEAARM CCCn1cnc([N-]c2nc3c(s2)c(C)nn3C)n1 ZINC000095515360 185001480 /nfs/dbraw/zinc/00/14/80/185001480.db2.gz KJMGCBZHQCFRID-UHFFFAOYSA-N -1 0 277.357 2.083 50 0 CEAARM C[C@@](NC(=O)CC1=CCCCC1)(C(=O)[O-])C1CC1 ZINC000095948890 185039480 /nfs/dbraw/zinc/03/94/80/185039480.db2.gz JJDBVWNKBHHYTE-AWEZNQCLSA-N -1 0 251.326 2.246 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)c1ccc2cc[nH]c2c1 ZINC000095953312 185040960 /nfs/dbraw/zinc/04/09/60/185040960.db2.gz NXFZPPQPGZCHLH-UHFFFAOYSA-N -1 0 260.293 2.105 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC000095961782 185044602 /nfs/dbraw/zinc/04/46/02/185044602.db2.gz ZQDJTDIYZOLGPC-CMPLNLGQSA-N -1 0 281.739 2.252 50 0 CEAARM Cc1nc(C)c(CNC(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000095969761 185047616 /nfs/dbraw/zinc/04/76/16/185047616.db2.gz GPXWVKQMJNYSAD-UHFFFAOYSA-N -1 0 290.344 2.388 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000095969530 185048084 /nfs/dbraw/zinc/04/80/84/185048084.db2.gz KWCOYAPWENQTEM-NSHDSACASA-N -1 0 291.322 2.181 50 0 CEAARM CC(C)(CNC(=O)Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000095970750 185048525 /nfs/dbraw/zinc/04/85/25/185048525.db2.gz CZUBMQZDRAMTAE-UHFFFAOYSA-N -1 0 292.310 2.077 50 0 CEAARM O=C([O-])C1(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000095989655 185057353 /nfs/dbraw/zinc/05/73/53/185057353.db2.gz FWFNJVZTRSHIDJ-UHFFFAOYSA-N -1 0 273.741 2.068 50 0 CEAARM Cc1cc(C(=O)NC2(C(=O)[O-])CC2)c2ccc(F)cc2n1 ZINC000095989642 185057617 /nfs/dbraw/zinc/05/76/17/185057617.db2.gz VSGRIOWFOXLSRA-UHFFFAOYSA-N -1 0 288.278 2.029 50 0 CEAARM Nc1ccccc1-c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000032517990 361741891 /nfs/dbraw/zinc/74/18/91/361741891.db2.gz RQZRNYXYJRHYET-UHFFFAOYSA-N -1 0 271.272 2.405 50 0 CEAARM Cc1cc(N[C@@H]2CCOC2)nc(-c2ccccc2[O-])n1 ZINC000032573327 361743794 /nfs/dbraw/zinc/74/37/94/361743794.db2.gz PAXQGDOWWCSRIG-LLVKDONJSA-N -1 0 271.320 2.358 50 0 CEAARM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cn1 ZINC000032630752 361747624 /nfs/dbraw/zinc/74/76/24/361747624.db2.gz KOZOXGMRQKHSBG-UHFFFAOYSA-N -1 0 291.376 2.100 50 0 CEAARM O=C([O-])c1ccc(C(=O)NCCc2ccc(F)cc2)cc1 ZINC000035085170 361808483 /nfs/dbraw/zinc/80/84/83/361808483.db2.gz NVSYAGGWJMHTSK-UHFFFAOYSA-N -1 0 287.290 2.496 50 0 CEAARM CC(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000036894085 361867103 /nfs/dbraw/zinc/86/71/03/361867103.db2.gz RFYYMOPRMPOPMT-UHFFFAOYSA-N -1 0 262.714 2.220 50 0 CEAARM C[C@@H](CNC(=O)C[C@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000097018671 185152922 /nfs/dbraw/zinc/15/29/22/185152922.db2.gz NRXNTYNJGWARBZ-UWVGGRQHSA-N -1 0 267.300 2.156 50 0 CEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2 ZINC000042144369 362061323 /nfs/dbraw/zinc/06/13/23/362061323.db2.gz FIHTVUVTPSBQKD-JTQLQIEISA-N -1 0 279.361 2.316 50 0 CEAARM CCc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])sc1C ZINC000042696317 362112607 /nfs/dbraw/zinc/11/26/07/362112607.db2.gz KMMLIOLMYNPATJ-QMMMGPOBSA-N -1 0 269.366 2.412 50 0 CEAARM O=C([O-])COCc1nc2cccnc2n1Cc1ccccc1 ZINC000021924789 343378187 /nfs/dbraw/zinc/37/81/87/343378187.db2.gz WIXLRNLQEZFIGU-UHFFFAOYSA-N -1 0 297.314 2.081 50 0 CEAARM Cc1nc2ccccc2c(=O)n1Nc1ccccc1C(=O)[O-] ZINC000000384370 343350501 /nfs/dbraw/zinc/35/05/01/343350501.db2.gz RDMLWSNEZSRARI-UHFFFAOYSA-N -1 0 295.298 2.278 50 0 CEAARM CC[C@H](C)[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000000425515 343350525 /nfs/dbraw/zinc/35/05/25/343350525.db2.gz JVVDPDZJORLMFQ-KWQFWETISA-N -1 0 273.361 2.401 50 0 CEAARM O=c1c2ccccc2nc(N=NCc2ccc(F)cc2)n1[O-] ZINC000035178558 343421040 /nfs/dbraw/zinc/42/10/40/343421040.db2.gz ZBTMZWGLTKPXGP-MFOYZWKCSA-N -1 0 298.277 2.219 50 0 CEAARM C[C@H](C(=O)[O-])[C@@H]1CC[C@@]2(C)CCC(=O)[C@@H](C)[C@@H]2[C@H]1O ZINC000048523664 343530912 /nfs/dbraw/zinc/53/09/12/343530912.db2.gz UMCLXAQEAAXFHC-KHYORFNHSA-N -1 0 268.353 2.100 50 0 CEAARM O=C([O-])/C=C/c1c2c(ccc1Br)OCO2 ZINC000048545644 343531535 /nfs/dbraw/zinc/53/15/35/343531535.db2.gz ZKCHAEKQAIKWII-DAFODLJHSA-N -1 0 271.066 2.276 50 0 CEAARM COc1ccc(CNc2ccc3nc(C(=O)[O-])cn3n2)cc1 ZINC000075284358 343844972 /nfs/dbraw/zinc/84/49/72/343844972.db2.gz XIHUCFRIMLGLBB-UHFFFAOYSA-N -1 0 298.302 2.048 50 0 CEAARM Cc1ccoc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000097231207 344244165 /nfs/dbraw/zinc/24/41/65/344244165.db2.gz OXLWQBDFCPJZSX-NSHDSACASA-N -1 0 277.251 2.283 50 0 CEAARM Cc1ccccc1C[C@@H](CNC(=O)C1CC=CC1)C(=O)[O-] ZINC000097228540 344243379 /nfs/dbraw/zinc/24/33/79/344243379.db2.gz ULUGLVIIKMBZKU-HNNXBMFYSA-N -1 0 287.359 2.321 50 0 CEAARM O=C(c1c([O-])cccc1F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000131474558 344358289 /nfs/dbraw/zinc/35/82/89/344358289.db2.gz BSXSLTSPOQOXJA-SNVBAGLBSA-N -1 0 290.298 2.017 50 0 CEAARM O=C([O-])c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000145298184 344408765 /nfs/dbraw/zinc/40/87/65/344408765.db2.gz PWRFOQUTHYMTDU-UHFFFAOYSA-N -1 0 299.282 2.044 50 0 CEAARM COC(=O)c1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000049994174 362389787 /nfs/dbraw/zinc/38/97/87/362389787.db2.gz DRHOCXGWWZMSBQ-UHFFFAOYSA-N -1 0 286.312 2.438 50 0 CEAARM O=C(Nc1[n-]c(=O)ncc1F)c1csc2ccccc12 ZINC000170605944 344486535 /nfs/dbraw/zinc/48/65/35/344486535.db2.gz JQLMASQJZUDCHE-UHFFFAOYSA-N -1 0 289.291 2.376 50 0 CEAARM CCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000193664714 344518905 /nfs/dbraw/zinc/51/89/05/344518905.db2.gz MEMDHKXIYFPBLI-UHFFFAOYSA-N -1 0 295.282 2.229 50 0 CEAARM CN(CC(=O)N[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000237072043 344599493 /nfs/dbraw/zinc/59/94/93/344599493.db2.gz COHMUCWMBJRAIV-INIZCTEOSA-N -1 0 298.342 2.065 50 0 CEAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1 ZINC000315490295 344747851 /nfs/dbraw/zinc/74/78/51/344747851.db2.gz UMYNZEMOILZZFH-AWEZNQCLSA-N -1 0 295.294 2.432 50 0 CEAARM C/C(=C/C(=O)N(CCC(=O)[O-])C1CCOCC1)C(C)(C)C ZINC000390832915 344838559 /nfs/dbraw/zinc/83/85/59/344838559.db2.gz UYWKWARWWHUZGQ-QXMHVHEDSA-N -1 0 297.395 2.461 50 0 CEAARM C/C(=C\c1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000585139954 345007616 /nfs/dbraw/zinc/00/76/16/345007616.db2.gz MEWUKMQDLRJETE-CSKARUKUSA-N -1 0 297.351 2.085 50 0 CEAARM Cc1ccc(S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000053994058 362503301 /nfs/dbraw/zinc/50/33/01/362503301.db2.gz UAYSGHBNCQFACQ-UHFFFAOYSA-N -1 0 266.274 2.119 50 0 CEAARM COc1ccc(CCC(=O)N(C)[C@@H](C)C(=O)[O-])cc1Cl ZINC000054051620 362505910 /nfs/dbraw/zinc/50/59/10/362505910.db2.gz QDMBGOLLKNATBZ-VIFPVBQESA-N -1 0 299.754 2.213 50 0 CEAARM C[C@@H](C(=O)[O-])N(C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000054069242 362507568 /nfs/dbraw/zinc/50/75/68/362507568.db2.gz XBTIOXYRJZYBEQ-QMMMGPOBSA-N -1 0 295.726 2.295 50 0 CEAARM O=S(=O)(Cc1ccccc1F)[N-]c1noc(C2CC2)n1 ZINC000097140409 185545204 /nfs/dbraw/zinc/54/52/04/185545204.db2.gz SYLHZDKZUHVUOV-UHFFFAOYSA-N -1 0 297.311 2.028 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000058304532 362620237 /nfs/dbraw/zinc/62/02/37/362620237.db2.gz YIYDCFYUDFERQD-UHFFFAOYSA-N -1 0 272.326 2.391 50 0 CEAARM C[C@@]1(C(=O)[N-]O[C@@H]2CCCCO2)CC1(Cl)Cl ZINC000058377054 362625261 /nfs/dbraw/zinc/62/52/61/362625261.db2.gz PBQOPVGRSYAELR-APPZFPTMSA-N -1 0 268.140 2.145 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000062117242 362707905 /nfs/dbraw/zinc/70/79/05/362707905.db2.gz WLSMMLROZVEJRH-MRVPVSSYSA-N -1 0 287.237 2.252 50 0 CEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cccs2)C1 ZINC000062869461 362728217 /nfs/dbraw/zinc/72/82/17/362728217.db2.gz UBNFVWFRNYEPOA-AWEZNQCLSA-N -1 0 281.377 2.394 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000062914095 362734078 /nfs/dbraw/zinc/73/40/78/362734078.db2.gz VWSARMVTUXRBFD-AWEZNQCLSA-N -1 0 281.739 2.206 50 0 CEAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCCO2)c(F)c1 ZINC000063009090 362742617 /nfs/dbraw/zinc/74/26/17/362742617.db2.gz MJTGDPVLRWUXLA-NSHDSACASA-N -1 0 267.256 2.032 50 0 CEAARM CCC1(CC)C(=O)N[C@@H]1Oc1cccc(C(=O)[O-])c1 ZINC000601014819 346732075 /nfs/dbraw/zinc/73/20/75/346732075.db2.gz UBRCDZIYEYCRJJ-CYBMUJFWSA-N -1 0 263.293 2.026 50 0 CEAARM Cc1cnccc1CN(C)Cc1ncccc1C(=O)[O-] ZINC000065429461 362821852 /nfs/dbraw/zinc/82/18/52/362821852.db2.gz WNIJSNRPSHQVEU-UHFFFAOYSA-N -1 0 271.320 2.115 50 0 CEAARM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1F ZINC000067323702 362905084 /nfs/dbraw/zinc/90/50/84/362905084.db2.gz PDYZKOBHDLGFSJ-UHFFFAOYSA-N -1 0 298.277 2.475 50 0 CEAARM CC(=O)c1c(C)nn(-c2cccc(OCC(=O)[O-])c2)c1C ZINC000067446744 362908853 /nfs/dbraw/zinc/90/88/53/362908853.db2.gz JGOUBWXARVMZDK-UHFFFAOYSA-N -1 0 288.303 2.155 50 0 CEAARM Cc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)C)s1 ZINC000069414987 362964983 /nfs/dbraw/zinc/96/49/83/362964983.db2.gz JKDLMOQCQDUMLE-CABZTGNLSA-N -1 0 267.350 2.439 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000108491270 186219311 /nfs/dbraw/zinc/21/93/11/186219311.db2.gz TVFGZWKEGBWVQO-CKYFFXLPSA-N -1 0 279.723 2.164 50 0 CEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccc2cc[nH]c2c1 ZINC000070310732 363069856 /nfs/dbraw/zinc/06/98/56/363069856.db2.gz HQJUURJLNJQERK-VIFPVBQESA-N -1 0 260.293 2.151 50 0 CEAARM O=C([N-]c1nncs1)c1c(F)c(F)c(F)c(F)c1F ZINC000002740725 304022727 /nfs/dbraw/zinc/02/27/27/304022727.db2.gz OCBVRYRXZCUPEP-UHFFFAOYSA-N -1 0 295.192 2.486 50 0 CEAARM O=C([O-])[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CCO1 ZINC000072418123 363134493 /nfs/dbraw/zinc/13/44/93/363134493.db2.gz PRQLUKGPVBKRFV-INIZCTEOSA-N -1 0 298.342 2.034 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])ccc1Cl ZINC000135208665 187806778 /nfs/dbraw/zinc/80/67/78/187806778.db2.gz WQOWNYGDIUIGOB-NSHDSACASA-N -1 0 267.712 2.338 50 0 CEAARM COC(=O)c1ccc(/C=C/c2ncc(C(=O)[O-])s2)[nH]1 ZINC000170017913 540018762 /nfs/dbraw/zinc/01/87/62/540018762.db2.gz ADORZSBNJFIBOI-HWKANZROSA-N -1 0 278.289 2.126 50 0 CEAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCC2)sc1C ZINC000164858456 188628166 /nfs/dbraw/zinc/62/81/66/188628166.db2.gz ORKZQZLXQLYRJN-UHFFFAOYSA-N -1 0 253.323 2.102 50 0 CEAARM O=C([O-])CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000002026817 304049462 /nfs/dbraw/zinc/04/94/62/304049462.db2.gz UXQXORHKKDWVER-UHFFFAOYSA-N -1 0 265.353 2.184 50 0 CEAARM CC(C)[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000133875364 366264170 /nfs/dbraw/zinc/26/41/70/366264170.db2.gz KWFCUHNJDKVVGR-CMPLNLGQSA-N -1 0 261.321 2.494 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C\C2CCCCC2)CC1 ZINC000492177948 290589574 /nfs/dbraw/zinc/58/95/74/290589574.db2.gz BPYTVCQKPDXJMX-SREVYHEPSA-N -1 0 265.353 2.446 50 0 CEAARM COc1cc(C(=O)[O-])c(C(=O)[Si](C)(C)C)cc1OC ZINC000197971035 540293299 /nfs/dbraw/zinc/29/32/99/540293299.db2.gz KYVVXEJOLFGIQI-UHFFFAOYSA-N -1 0 282.368 2.462 50 0 CEAARM O=C([O-])CNC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000008849485 304069279 /nfs/dbraw/zinc/06/92/79/304069279.db2.gz DRPNWKNJMQJOPV-UHFFFAOYSA-N -1 0 287.340 2.328 50 0 CEAARM O=C([O-])CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000005129136 304073292 /nfs/dbraw/zinc/07/32/92/304073292.db2.gz RXADBNGYRCQTLE-UHFFFAOYSA-N -1 0 296.373 2.040 50 0 CEAARM O=C([O-])CCN1CCN(c2ccc(F)cc2Cl)CC1 ZINC000261779135 540396942 /nfs/dbraw/zinc/39/69/42/540396942.db2.gz PADGTFNRXWFHDQ-UHFFFAOYSA-N -1 0 286.734 2.076 50 0 CEAARM C[C@]1(C(=O)[O-])CCCN1CC(=O)Nc1cccc(Cl)c1 ZINC000079489825 363609223 /nfs/dbraw/zinc/60/92/23/363609223.db2.gz LLQIERXDBNEKMM-CQSZACIVSA-N -1 0 296.754 2.218 50 0 CEAARM COC(=O)[C@@H](CC(C)C)[N-]C(=O)C(Cl)(Cl)Cl ZINC000002739632 291246343 /nfs/dbraw/zinc/24/63/43/291246343.db2.gz LSLUVMPFLQPXQH-ZCFIWIBFSA-N -1 0 290.574 2.061 50 0 CEAARM Cc1ccc(C(=O)[O-])c(NC(=O)c2ccncc2)c1 ZINC000000039044 361120305 /nfs/dbraw/zinc/12/03/05/361120305.db2.gz ZIAKLOINNVFMJM-UHFFFAOYSA-N -1 0 256.261 2.341 50 0 CEAARM CCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000000141378 361134800 /nfs/dbraw/zinc/13/48/00/361134800.db2.gz OMJTYZGZLCBXTA-UHFFFAOYSA-N -1 0 278.333 2.281 50 0 CEAARM CCOC(=O)c1c[n-]n2c1nc(-c1ccccc1)cc2=O ZINC000000159564 361137057 /nfs/dbraw/zinc/13/70/57/361137057.db2.gz RZJGUGZMOSFTQX-UHFFFAOYSA-N -1 0 283.287 2.279 50 0 CEAARM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000190722 361142500 /nfs/dbraw/zinc/14/25/00/361142500.db2.gz ADALGBTXGIISDM-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(Br)cc1F ZINC000000216992 361147547 /nfs/dbraw/zinc/14/75/47/361147547.db2.gz BBCZEQALVKLLPK-ONEGZZNKSA-N -1 0 288.072 2.168 50 0 CEAARM Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000058794 361122760 /nfs/dbraw/zinc/12/27/60/361122760.db2.gz FEPILVGKCQHGLG-UHFFFAOYSA-N -1 0 291.328 2.494 50 0 CEAARM Cc1cc(C(=O)NCc2cc(C(=O)[O-])oc2C)c(C)o1 ZINC000000376465 361167143 /nfs/dbraw/zinc/16/71/43/361167143.db2.gz BKWOSDQVFGPKFT-UHFFFAOYSA-N -1 0 277.276 2.426 50 0 CEAARM Cc1csc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000000426162 361173549 /nfs/dbraw/zinc/17/35/49/361173549.db2.gz LSHPFCFZGWIBDJ-IUCAKERBSA-N -1 0 268.338 2.281 50 0 CEAARM CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000000478057 361179345 /nfs/dbraw/zinc/17/93/45/361179345.db2.gz RRRVWTBLNFKZEE-NEPJUHHUSA-N -1 0 253.342 2.136 50 0 CEAARM O=C1[N-]C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)N1 ZINC000000526727 361183381 /nfs/dbraw/zinc/18/33/81/361183381.db2.gz YHYNPVPFHGCYMG-YRNVUSSQSA-N -1 0 272.235 2.266 50 0 CEAARM O=C([O-])c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000000818989 361193544 /nfs/dbraw/zinc/19/35/44/361193544.db2.gz AZZCLQRJWLKGDA-UHFFFAOYSA-N -1 0 253.208 2.243 50 0 CEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000000863576 361195064 /nfs/dbraw/zinc/19/50/64/361195064.db2.gz YRUVRKUHVQKIHG-UHFFFAOYSA-N -1 0 278.333 2.199 50 0 CEAARM Cc1ccc(NC(=O)[C@H](CC(=O)[O-])[C@@H]2CCCO2)cc1 ZINC000000333469 361162574 /nfs/dbraw/zinc/16/25/74/361162574.db2.gz VSTFEWZMNNXAHJ-OLZOCXBDSA-N -1 0 277.320 2.203 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000002769311 361249514 /nfs/dbraw/zinc/24/95/14/361249514.db2.gz BMMUDNJTUNKCSS-RKDXNWHRSA-N -1 0 293.348 2.021 50 0 CEAARM CCOC(=O)c1cc(CC)sc1NC(=O)/C=C/C(=O)[O-] ZINC000002151848 361229166 /nfs/dbraw/zinc/22/91/66/361229166.db2.gz CWRGTTCTYZKHMW-AATRIKPKSA-N -1 0 297.332 2.067 50 0 CEAARM O=C([O-])Cc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000002381052 361233322 /nfs/dbraw/zinc/23/33/22/361233322.db2.gz VCQBSKKJQUAQFI-UHFFFAOYSA-N -1 0 299.282 2.295 50 0 CEAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000002567675 361240744 /nfs/dbraw/zinc/24/07/44/361240744.db2.gz FPCCREICRYPTTL-NSHDSACASA-N -1 0 283.299 2.346 50 0 CEAARM CC(=O)n1cc(C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000002638635 361243112 /nfs/dbraw/zinc/24/31/12/361243112.db2.gz PRMAUWNDQKWGEO-UHFFFAOYSA-N -1 0 264.668 2.133 50 0 CEAARM Cc1ccc(NC(=O)CSCC(=O)[O-])c(C)c1 ZINC000002656365 361243686 /nfs/dbraw/zinc/24/36/86/361243686.db2.gz YNYRLYNQNUZPPQ-UHFFFAOYSA-N -1 0 253.323 2.060 50 0 CEAARM O=C([O-])c1cnc(-c2ccccn2)nc1C(F)(F)F ZINC000003884279 361293305 /nfs/dbraw/zinc/29/33/05/361293305.db2.gz YUBDBOSNEOIDLU-UHFFFAOYSA-N -1 0 269.182 2.256 50 0 CEAARM COc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002995500 361260396 /nfs/dbraw/zinc/26/03/96/361260396.db2.gz IJVLENARSSQFSI-QWHCGFSZSA-N -1 0 291.347 2.202 50 0 CEAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000003186072 361267066 /nfs/dbraw/zinc/26/70/66/361267066.db2.gz NQDJZPKCSPMOQQ-QWRGUYRKSA-N -1 0 297.376 2.051 50 0 CEAARM Cc1ccc(C(=O)C[C@H](C(=O)[O-])n2cccn2)cc1 ZINC000004125028 361301095 /nfs/dbraw/zinc/30/10/95/361301095.db2.gz HHYKCEFFPDIUQR-GFCCVEGCSA-N -1 0 258.277 2.090 50 0 CEAARM Cc1sc2nc(C)nc(NCC(=O)[O-])c2c1C ZINC000004218677 361306488 /nfs/dbraw/zinc/30/64/88/361306488.db2.gz QKYUXBPGZCUXOB-UHFFFAOYSA-N -1 0 251.311 2.113 50 0 CEAARM Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccccc1 ZINC000004282350 361309271 /nfs/dbraw/zinc/30/92/71/361309271.db2.gz GHONKKAKIPKFFZ-UHFFFAOYSA-N -1 0 265.316 2.487 50 0 CEAARM O=C([O-])/C=C\C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005856013 361335005 /nfs/dbraw/zinc/33/50/05/361335005.db2.gz SVLSMQALWUUSJF-HJWRWDBZSA-N -1 0 274.320 2.256 50 0 CEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1nccs1 ZINC000011615530 361360673 /nfs/dbraw/zinc/36/06/73/361360673.db2.gz XSKNVLVJGUGYSD-UHFFFAOYSA-N -1 0 284.362 2.261 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2)c1-c1ccncc1 ZINC000011730447 361361912 /nfs/dbraw/zinc/36/19/12/361361912.db2.gz POCNQZLKSVHPOI-UHFFFAOYSA-N -1 0 266.260 2.028 50 0 CEAARM O=C([O-])c1ccccc1N1CCN(Cc2cccnc2)CC1 ZINC000012632193 361395048 /nfs/dbraw/zinc/39/50/48/361395048.db2.gz RUTQPUDIUPSOEP-UHFFFAOYSA-N -1 0 297.358 2.102 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000012781745 361400661 /nfs/dbraw/zinc/40/06/61/361400661.db2.gz VWYMWGKJPPUNQM-VXGBXAGGSA-N -1 0 285.303 2.168 50 0 CEAARM COc1ccccc1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000013168440 361422439 /nfs/dbraw/zinc/42/24/39/361422439.db2.gz AIHUNVXLVYAUTD-UHFFFAOYSA-N -1 0 291.347 2.141 50 0 CEAARM CC(C)(C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000013171233 361423948 /nfs/dbraw/zinc/42/39/48/361423948.db2.gz LIHXIPJOGKCJIB-GFCCVEGCSA-N -1 0 275.348 2.287 50 0 CEAARM NC(=O)c1ccc(CSc2ncccc2C(=O)[O-])cc1 ZINC000019427863 361534755 /nfs/dbraw/zinc/53/47/55/361534755.db2.gz JEDLXWWGNJKFFC-UHFFFAOYSA-N -1 0 288.328 2.171 50 0 CEAARM CN(Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000019982142 361573512 /nfs/dbraw/zinc/57/35/12/361573512.db2.gz AZGUXPZLDPXWCK-UHFFFAOYSA-N -1 0 276.336 2.035 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000021987326 361586021 /nfs/dbraw/zinc/58/60/21/361586021.db2.gz OHIYKPXMNWXZQH-BQBZGAKWSA-N -1 0 283.246 2.259 50 0 CEAARM CC(C)(CC(=O)Nc1cc(F)cc(F)c1)C(=O)[O-] ZINC000087724509 363868520 /nfs/dbraw/zinc/86/85/20/363868520.db2.gz IMPRUZOWKXAIGO-UHFFFAOYSA-N -1 0 257.236 2.404 50 0 CEAARM Cc1ccncc1[N-]S(=O)(=O)c1ccccc1C ZINC000088717981 363915453 /nfs/dbraw/zinc/91/54/53/363915453.db2.gz SIBCBGDVVRNOQE-UHFFFAOYSA-N -1 0 262.334 2.499 50 0 CEAARM COc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)ccc1C ZINC000237227574 370702964 /nfs/dbraw/zinc/70/29/64/370702964.db2.gz JMXLGIUVHASKBZ-LLVKDONJSA-N -1 0 291.347 2.329 50 0 CEAARM COc1ccc([C@H](C)CC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000237235617 370703555 /nfs/dbraw/zinc/70/35/55/370703555.db2.gz YASISMVWNAVUTD-BXUZGUMPSA-N -1 0 291.347 2.264 50 0 CEAARM CSCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237492993 370726463 /nfs/dbraw/zinc/72/64/63/370726463.db2.gz HQLKJUOIXCNWRE-LLVKDONJSA-N -1 0 273.398 2.376 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2ccsc2)C1 ZINC000237524716 370729691 /nfs/dbraw/zinc/72/96/91/370729691.db2.gz FWZMTFBQZOLRSC-CYBMUJFWSA-N -1 0 267.350 2.004 50 0 CEAARM O=C([O-])C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000237937303 370761787 /nfs/dbraw/zinc/76/17/87/370761787.db2.gz CHIBVVDYTQDZHD-OLZOCXBDSA-N -1 0 295.310 2.027 50 0 CEAARM Cn1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc2ccccc21 ZINC000237712072 370747124 /nfs/dbraw/zinc/74/71/24/370747124.db2.gz MIATYRRXJUVCMD-GFCCVEGCSA-N -1 0 286.331 2.115 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ncoc1-c1cccs1 ZINC000238079566 370769302 /nfs/dbraw/zinc/76/93/02/370769302.db2.gz XEWXRNGIVYUOLN-QMMMGPOBSA-N -1 0 292.316 2.092 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000238035588 370766966 /nfs/dbraw/zinc/76/69/66/370766966.db2.gz BXDPUVZBYGWYRZ-RDBSUJKOSA-N -1 0 291.322 2.395 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000095424081 364369795 /nfs/dbraw/zinc/36/97/95/364369795.db2.gz KJJWNQWLTVOYHL-NSHDSACASA-N -1 0 291.322 2.181 50 0 CEAARM Cc1cccc2cc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)oc21 ZINC000095425599 364371273 /nfs/dbraw/zinc/37/12/73/364371273.db2.gz GSNRWHSSKZIJGA-HNNXBMFYSA-N -1 0 291.278 2.380 50 0 CEAARM Cc1nc(Cn2cc(-c3ccccc3C(=O)[O-])nn2)c(C)o1 ZINC000095366938 364348131 /nfs/dbraw/zinc/34/81/31/364348131.db2.gz CPEVCBZAKDSZKX-UHFFFAOYSA-N -1 0 298.302 2.296 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CC(c3ccccn3)C2)s1 ZINC000097784739 364518604 /nfs/dbraw/zinc/51/86/04/364518604.db2.gz JPGJRQYGUFIHME-UHFFFAOYSA-N -1 0 288.328 2.081 50 0 CEAARM O=C([O-])[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000100117176 364539914 /nfs/dbraw/zinc/53/99/14/364539914.db2.gz NBFRLAFUANZFTR-TXEJJXNPSA-N -1 0 286.331 2.288 50 0 CEAARM CN(C)c1ccccc1-c1ccc(CC(=O)[O-])cn1 ZINC000215914477 189698172 /nfs/dbraw/zinc/69/81/72/189698172.db2.gz FLEGGRBIMZLFTH-UHFFFAOYSA-N -1 0 256.305 2.442 50 0 CEAARM Cc1cc([N-]S(=O)(=O)Cc2noc3ccccc32)on1 ZINC000206870786 189685909 /nfs/dbraw/zinc/68/59/09/189685909.db2.gz HBIPTNDSWUPSCA-UHFFFAOYSA-N -1 0 293.304 2.066 50 0 CEAARM O=C([O-])[C@@H]1CCN(c2cccc3ccccc32)C1=O ZINC000006536625 304122869 /nfs/dbraw/zinc/12/28/69/304122869.db2.gz BGTUAVMAHNEDLD-GFCCVEGCSA-N -1 0 255.273 2.277 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000244795673 370800188 /nfs/dbraw/zinc/80/01/88/370800188.db2.gz RLNYEUKUKWJOGC-BJDJZHNGSA-N -1 0 255.358 2.428 50 0 CEAARM Cc1cc(C)c(CNC(=O)C2(C(=O)[O-])CC2)c(C)c1 ZINC000118950274 365190457 /nfs/dbraw/zinc/19/04/57/365190457.db2.gz CMHMJFCJCKNWNA-UHFFFAOYSA-N -1 0 261.321 2.093 50 0 CEAARM O=C([O-])CCCC(=O)Nc1cccc(Br)n1 ZINC000170615705 367387587 /nfs/dbraw/zinc/38/75/87/367387587.db2.gz CXJYFTZVACNKOT-UHFFFAOYSA-N -1 0 287.113 2.038 50 0 CEAARM CCCNc1cc(N2CCC(CCC(=O)[O-])CC2)ncn1 ZINC000169676693 367370365 /nfs/dbraw/zinc/37/03/65/367370365.db2.gz GMUPYCYBAKBXLE-UHFFFAOYSA-N 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344243373 /nfs/dbraw/zinc/24/33/73/344243373.db2.gz ULUGLVIIKMBZKU-OAHLLOKOSA-N -1 0 287.359 2.321 50 0 CEAARM CCC1(C(=O)[O-])CCN(C(=O)c2ccccc2)CC1 ZINC000062844553 282342296 /nfs/dbraw/zinc/34/22/96/282342296.db2.gz DVILJYNASZUKRN-UHFFFAOYSA-N -1 0 261.321 2.404 50 0 CEAARM Cc1ccc(NC(=O)/C=C\c2cnn(C)c2)cc1C(=O)[O-] ZINC000215525370 344534301 /nfs/dbraw/zinc/53/43/01/344534301.db2.gz ULRVYXLNZBXQEV-XQRVVYSFSA-N -1 0 285.303 2.079 50 0 CEAARM Cc1cc(C)cc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000237828734 344604716 /nfs/dbraw/zinc/60/47/16/344604716.db2.gz XXHFJGCWXKAMDV-UHFFFAOYSA-N -1 0 291.347 2.009 50 0 CEAARM CC(C)c1ncc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000585134013 345006734 /nfs/dbraw/zinc/00/67/34/345006734.db2.gz AOEBSORPRCMWBP-UHFFFAOYSA-N -1 0 299.330 2.479 50 0 CEAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3ncc[nH]3)c12 ZINC000055042068 362542873 /nfs/dbraw/zinc/54/28/73/362542873.db2.gz HEMZOBFDTZAFHQ-UHFFFAOYSA-N -1 0 289.320 2.033 50 0 CEAARM CC(C)CNC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 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/nfs/dbraw/zinc/42/40/97/363424097.db2.gz DCQQNGVSCKPOOQ-UHFFFAOYSA-N -1 0 256.714 2.471 50 0 CEAARM CC(C)Oc1cccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000075243033 363453004 /nfs/dbraw/zinc/45/30/04/363453004.db2.gz HLAZVPUFGVGSFW-AEZGRPFRSA-N -1 0 277.320 2.076 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000237970755 304050842 /nfs/dbraw/zinc/05/08/42/304050842.db2.gz VWOZZCQBWUDCBY-GHMZBOCLSA-N -1 0 283.274 2.049 50 0 CEAARM O=C([O-])CS[C@@H]1CCc2ccccc2NC1=O ZINC000013693076 304073038 /nfs/dbraw/zinc/07/30/38/304073038.db2.gz PGWNLMHHDHINIR-SNVBAGLBSA-N -1 0 251.307 2.407 50 0 CEAARM Cc1ccc(NC(=O)CN2CCC[C@]2(C)C(=O)[O-])cc1F ZINC000079489731 363609262 /nfs/dbraw/zinc/60/92/62/363609262.db2.gz SQAHODSVSUZJMG-OAHLLOKOSA-N -1 0 294.326 2.012 50 0 CEAARM CC(=O)CCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000135585721 366456260 /nfs/dbraw/zinc/45/62/60/366456260.db2.gz HHRXLYPQPCKGMZ-UHFFFAOYSA-N -1 0 278.333 2.168 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000079845910 363631428 /nfs/dbraw/zinc/63/14/28/363631428.db2.gz XHIGERJLTCYABW-VHSXEESVSA-N -1 0 257.330 2.402 50 0 CEAARM O=C([O-])[C@@H](c1csc2ccccc21)N1CCOCC1 ZINC000054465721 304097288 /nfs/dbraw/zinc/09/72/88/304097288.db2.gz NGXVSBFUQYQQTC-CYBMUJFWSA-N -1 0 277.345 2.359 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1F ZINC000000307506 361159218 /nfs/dbraw/zinc/15/92/18/361159218.db2.gz VSLMIPZSIZTSNG-NXEZZACHSA-N -1 0 263.268 2.431 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC000268907389 304101915 /nfs/dbraw/zinc/10/19/15/304101915.db2.gz DARXLEDTTKJCGS-LBPRGKRZSA-N -1 0 251.326 2.343 50 0 CEAARM Cc1cc(O[C@H](C)C(=O)[O-])c2c(C)cc(=O)oc2c1 ZINC000000529788 361184547 /nfs/dbraw/zinc/18/45/47/361184547.db2.gz RRBYJHZOUKCMHA-SECBINFHSA-N -1 0 262.261 2.262 50 0 CEAARM CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000001057977 361197148 /nfs/dbraw/zinc/19/71/48/361197148.db2.gz ATYBZNXCZXTMOA-SNVBAGLBSA-N -1 0 255.701 2.179 50 0 CEAARM COc1ccc(-c2nc3ccccc3n2OCC(=O)[O-])cc1 ZINC000001389353 361202097 /nfs/dbraw/zinc/20/20/97/361202097.db2.gz GYKDYIZOOBUGKG-UHFFFAOYSA-N -1 0 298.298 2.225 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1I ZINC000000336287 361162698 /nfs/dbraw/zinc/16/26/98/361162698.db2.gz LDDHMKANNXWUAK-UHFFFAOYSA-N -1 0 262.046 2.298 50 0 CEAARM CC(C)C[C@H](NC(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000002103869 361227468 /nfs/dbraw/zinc/22/74/68/361227468.db2.gz NJAKAQVHJGATRJ-AWEZNQCLSA-N -1 0 292.379 2.418 50 0 CEAARM [NH3+][C@@H](CCCC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002139788 361229342 /nfs/dbraw/zinc/22/93/42/361229342.db2.gz ULJLJMPALGRIPK-ZDUSSCGKSA-N -1 0 299.307 2.082 50 0 CEAARM CCCCCOc1ccc([C@H](CC(=O)[O-])C(N)=O)cc1 ZINC000002250444 361231184 /nfs/dbraw/zinc/23/11/84/361231184.db2.gz BMIVTFMMZNUQEK-ZDUSSCGKSA-N -1 0 279.336 2.299 50 0 CEAARM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000002505655 361236997 /nfs/dbraw/zinc/23/69/97/361236997.db2.gz PZRXRMWHLUUHFB-LLVKDONJSA-N -1 0 265.309 2.380 50 0 CEAARM CN(C)c1ccc(NC(=O)c2cccnc2C(=O)[O-])cc1 ZINC000002575592 361241219 /nfs/dbraw/zinc/24/12/19/361241219.db2.gz CIMWJJMBGKXGIV-UHFFFAOYSA-N -1 0 285.303 2.098 50 0 CEAARM O=C([O-])CCCNC(=O)c1cccc(Br)c1 ZINC000002885552 361257369 /nfs/dbraw/zinc/25/73/69/361257369.db2.gz DJLPSBADDUQCSP-UHFFFAOYSA-N -1 0 286.125 2.044 50 0 CEAARM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(Cl)cc1 ZINC000003119521 361263387 /nfs/dbraw/zinc/26/33/87/361263387.db2.gz ZPZANTHYGZCVNT-VIFPVBQESA-N -1 0 269.728 2.457 50 0 CEAARM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000003249563 361270241 /nfs/dbraw/zinc/27/02/41/361270241.db2.gz RDAMIKQPKPXITI-UHFFFAOYSA-N -1 0 284.267 2.387 50 0 CEAARM O=c1nc(N2CCCCC2)nc(Nc2ccccc2)[n-]1 ZINC000008581458 361343410 /nfs/dbraw/zinc/34/34/10/361343410.db2.gz OUULHWZBIJLBMJ-UHFFFAOYSA-N -1 0 271.324 2.311 50 0 CEAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)nc1 ZINC000006493787 361336627 /nfs/dbraw/zinc/33/66/27/361336627.db2.gz LJVBFTHPJUDUFL-UHFFFAOYSA-N -1 0 295.298 2.189 50 0 CEAARM O=S(=O)(C=C([O-])c1ccccc1)c1ccccc1F ZINC000081906874 363747103 /nfs/dbraw/zinc/74/71/03/363747103.db2.gz LTKKSXXOCMRZFO-UHFFFAOYSA-N -1 0 278.304 2.482 50 0 CEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000011923753 361369702 /nfs/dbraw/zinc/36/97/02/361369702.db2.gz WXTCVOMEMQXTFR-UHFFFAOYSA-N -1 0 279.365 2.146 50 0 CEAARM CCc1c(C(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000011730700 361362026 /nfs/dbraw/zinc/36/20/26/361362026.db2.gz NQNXBQKWFGLUPK-UHFFFAOYSA-N -1 0 251.673 2.181 50 0 CEAARM Cc1onc(C(=O)[O-])c1COc1ccccc1F ZINC000012355474 361378395 /nfs/dbraw/zinc/37/83/95/361378395.db2.gz YFIHKEZJIPMXNX-UHFFFAOYSA-N -1 0 251.213 2.399 50 0 CEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1 ZINC000012751834 361398015 /nfs/dbraw/zinc/39/80/15/361398015.db2.gz PEUWTURTFGGTFE-UHFFFAOYSA-N -1 0 299.355 2.257 50 0 CEAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000013174723 361423517 /nfs/dbraw/zinc/42/35/17/361423517.db2.gz LERAWQCBUFZQNV-VXGBXAGGSA-N -1 0 297.738 2.151 50 0 CEAARM O=C([O-])C[C@H](NC(=O)C1CC1)c1ccc(Cl)cc1 ZINC000013175649 361423894 /nfs/dbraw/zinc/42/38/94/361423894.db2.gz ZLYBZPOJFKWKAG-NSHDSACASA-N -1 0 267.712 2.382 50 0 CEAARM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)o1 ZINC000013433482 361428132 /nfs/dbraw/zinc/42/81/32/361428132.db2.gz GYBFRONEIUCQSC-ZDUSSCGKSA-N -1 0 287.271 2.080 50 0 CEAARM COc1cc(C(=O)[O-])ccc1OCc1cc(C)on1 ZINC000013420275 361428143 /nfs/dbraw/zinc/42/81/43/361428143.db2.gz PXHIGRDURYSWKC-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM Cc1ccc(C(=O)NCCCCCC(=O)[O-])s1 ZINC000019411825 361532250 /nfs/dbraw/zinc/53/22/50/361532250.db2.gz HYLMELDMIRCSNP-UHFFFAOYSA-N -1 0 255.339 2.431 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(Cl)cc1 ZINC000019807174 361556299 /nfs/dbraw/zinc/55/62/99/361556299.db2.gz AWQNRQYNISBOPP-LBPRGKRZSA-N -1 0 281.739 2.348 50 0 CEAARM Cc1nc2ccccn2c1C(=O)NCCCCCC(=O)[O-] ZINC000031965490 361724308 /nfs/dbraw/zinc/72/43/08/361724308.db2.gz FSWAHQLLMKUTKB-UHFFFAOYSA-N -1 0 289.335 2.018 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000085006649 363828705 /nfs/dbraw/zinc/82/87/05/363828705.db2.gz DEHMZYGMZLWARX-VXGBXAGGSA-N -1 0 263.293 2.166 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000095427733 304112394 /nfs/dbraw/zinc/11/23/94/304112394.db2.gz QQIGLHAELSGIRT-UPJWGTAASA-N -1 0 277.295 2.005 50 0 CEAARM CN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237239746 370704628 /nfs/dbraw/zinc/70/46/28/370704628.db2.gz JNQPLVCASVIHKQ-VIIAAUOXSA-N -1 0 289.331 2.035 50 0 CEAARM C[C@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237522185 370729757 /nfs/dbraw/zinc/72/97/57/370729757.db2.gz REFVWXLJCSCOTK-BXUZGUMPSA-N -1 0 293.338 2.470 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000237650311 370741514 /nfs/dbraw/zinc/74/15/14/370741514.db2.gz JFRNARRYDSXOFH-WWGRRREGSA-N -1 0 291.322 2.252 50 0 CEAARM C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C)C(=O)[O-] ZINC000237638694 370741643 /nfs/dbraw/zinc/74/16/43/370741643.db2.gz CSHNCKSVJZFMKB-OUCADQQQSA-N -1 0 275.348 2.392 50 0 CEAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)s1 ZINC000237842802 370754833 /nfs/dbraw/zinc/75/48/33/370754833.db2.gz GCARJTICJSOXMI-UHFFFAOYSA-N -1 0 297.376 2.152 50 0 CEAARM CC(C)C[C@@H](CNC(=O)c1ccc(Cl)cn1)C(=O)[O-] ZINC000094701993 364288587 /nfs/dbraw/zinc/28/85/87/364288587.db2.gz IGROMBLGUMSANO-VIFPVBQESA-N -1 0 284.743 2.212 50 0 CEAARM Cc1occc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094743910 364291220 /nfs/dbraw/zinc/29/12/20/364291220.db2.gz YDNCHYZAIUWGOA-VXGBXAGGSA-N -1 0 265.309 2.351 50 0 CEAARM CCC[C@H](NC(=O)c1cc2c(s1)CCC2)c1nnn[n-]1 ZINC000095287757 364341720 /nfs/dbraw/zinc/34/17/20/364341720.db2.gz LYYYNHVFJNTXID-VIFPVBQESA-N -1 0 291.380 2.021 50 0 CEAARM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(O)c2)s1 ZINC000095447086 364382587 /nfs/dbraw/zinc/38/25/87/364382587.db2.gz CXWZCEDZSYVSSY-UHFFFAOYSA-N -1 0 284.362 2.266 50 0 CEAARM CCc1ncc(C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000097228666 364480765 /nfs/dbraw/zinc/48/07/65/364480765.db2.gz IIJCPWHXMSASDB-UHFFFAOYSA-N -1 0 290.344 2.334 50 0 CEAARM O=C(N[C@@H]1CCCSC1)c1cc(F)c(F)c([O-])c1F ZINC000097374937 364495894 /nfs/dbraw/zinc/49/58/94/364495894.db2.gz IKBJCQDUWXQDGD-ZCFIWIBFSA-N -1 0 291.294 2.435 50 0 CEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000102820407 364611855 /nfs/dbraw/zinc/61/18/55/364611855.db2.gz INEQZXHNRRKKTA-UONOGXRCSA-N -1 0 292.298 2.184 50 0 CEAARM O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000195541473 189678052 /nfs/dbraw/zinc/67/80/52/189678052.db2.gz YORTYARKLXXTJU-JGVFFNPUSA-N -1 0 288.130 2.298 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000170311749 367378677 /nfs/dbraw/zinc/37/86/77/367378677.db2.gz KPDXCTFDWYSDKC-UHFFFAOYSA-N -1 0 283.327 2.343 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2Br)N1 ZINC000000138392 304137719 /nfs/dbraw/zinc/13/77/19/304137719.db2.gz DRMNRFSHFUTMMM-IUCAKERBSA-N -1 0 288.166 2.237 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccncc1F ZINC000246863023 304144644 /nfs/dbraw/zinc/14/46/44/304144644.db2.gz DVYSQYZMMCMAMW-BIMULSAOSA-N -1 0 292.310 2.079 50 0 CEAARM O=C([O-])[C@@H](NC(=O)Nc1cc(F)cc(Cl)c1)C1CC1 ZINC000225751471 189763522 /nfs/dbraw/zinc/76/35/22/189763522.db2.gz QGHIQIPKIDSVHD-JTQLQIEISA-N -1 0 286.690 2.464 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(C2CC2)no1 ZINC000227223691 304148140 /nfs/dbraw/zinc/14/81/40/304148140.db2.gz NDTCQSZDVBAIBS-WOPDTQHZSA-N -1 0 291.351 2.165 50 0 CEAARM CC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccsc1 ZINC000215479215 370176368 /nfs/dbraw/zinc/17/63/68/370176368.db2.gz DHDUXUCNJOSCRA-ZDUSSCGKSA-N -1 0 267.350 2.146 50 0 CEAARM Cn1nccc1-c1cccc(-c2cnc(C(=O)[O-])cn2)c1 ZINC000215785069 370181279 /nfs/dbraw/zinc/18/12/79/370181279.db2.gz CBOWDZLLQOAFSZ-UHFFFAOYSA-N -1 0 280.287 2.242 50 0 CEAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccoc1)c1ccccc1 ZINC000195541893 370138109 /nfs/dbraw/zinc/13/81/09/370138109.db2.gz UKVIZCVOFHISQL-MFKMUULPSA-N -1 0 273.288 2.471 50 0 CEAARM COC(=O)c1coc(C(=O)Nc2nc3c(s2)CCC3)c1 ZINC000195562709 370142614 /nfs/dbraw/zinc/14/26/14/370142614.db2.gz DLAPCCWFCMFALZ-UHFFFAOYSA-N -1 0 292.316 2.264 50 0 CEAARM O=C(/C=C\c1ccco1)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000222118004 370250945 /nfs/dbraw/zinc/25/09/45/370250945.db2.gz LKTIMTSURAFGOJ-QIAWRQBBSA-N -1 0 299.326 2.353 50 0 CEAARM CCCn1ccnc1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000216478043 370189140 /nfs/dbraw/zinc/18/91/40/370189140.db2.gz MRBVAYOBQGVQIN-OAHLLOKOSA-N -1 0 299.374 2.305 50 0 CEAARM O=C([O-])C[C@H](CC(=O)Nc1ccon1)c1ccc(F)cc1 ZINC000223093587 370261160 /nfs/dbraw/zinc/26/11/60/370261160.db2.gz CULHSCMMSZXJEV-JTQLQIEISA-N -1 0 292.266 2.401 50 0 CEAARM CCOc1cc(Br)c(O)c(C(=O)[O-])c1 ZINC000226233373 370330698 /nfs/dbraw/zinc/33/06/98/370330698.db2.gz BDFQLFUVGJCQSP-UHFFFAOYSA-N -1 0 261.071 2.252 50 0 CEAARM CC(C)COCCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236606894 370595889 /nfs/dbraw/zinc/59/58/89/370595889.db2.gz GPSYMYLWQNHNGB-CYBMUJFWSA-N -1 0 285.384 2.153 50 0 CEAARM C/C(=C/C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000236630083 370598609 /nfs/dbraw/zinc/59/86/09/370598609.db2.gz WGXMTUXZLCZGRB-MQGYJPLLSA-N -1 0 277.295 2.162 50 0 CEAARM CC(C)CO[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000236637881 370599835 /nfs/dbraw/zinc/59/98/35/370599835.db2.gz HGKMTNIKDWSASC-SNVBAGLBSA-N -1 0 297.376 2.333 50 0 CEAARM CC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2F)C1 ZINC000248977648 371278073 /nfs/dbraw/zinc/27/80/73/371278073.db2.gz RHYWWAIZXXPFJF-CHWSQXEVSA-N -1 0 267.300 2.062 50 0 CEAARM CCCCO[C@H](C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236856248 189848823 /nfs/dbraw/zinc/84/88/23/189848823.db2.gz RTBXCCXBOSQPIO-CHWSQXEVSA-N -1 0 285.384 2.295 50 0 CEAARM Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000251154832 371397453 /nfs/dbraw/zinc/39/74/53/371397453.db2.gz NDGWDOWYMVWUKT-JMJZKYOTSA-N -1 0 265.284 2.032 50 0 CEAARM CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccs1 ZINC000251238240 371398835 /nfs/dbraw/zinc/39/88/35/371398835.db2.gz LKSWTJAQYMSHBJ-YIZRAAEISA-N -1 0 253.323 2.036 50 0 CEAARM O=C([O-])c1ccc(NN=Cc2cccc(O)c2O)cc1 ZINC000252452394 371439337 /nfs/dbraw/zinc/43/93/37/371439337.db2.gz GMVIIQYMCVNUOS-UHFFFAOYSA-N -1 0 272.260 2.242 50 0 CEAARM CC(=O)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000252482875 371443073 /nfs/dbraw/zinc/44/30/73/371443073.db2.gz DPNSOTJBFNTCAS-UHFFFAOYSA-N -1 0 282.148 2.127 50 0 CEAARM N#CC(=NNc1ccc(C(=O)[O-])cc1)c1ccccn1 ZINC000254312949 371534302 /nfs/dbraw/zinc/53/43/02/371534302.db2.gz VUDRHRUHASUEAI-UHFFFAOYSA-N -1 0 266.260 2.120 50 0 CEAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1C(=O)[O-] ZINC000237318638 189872230 /nfs/dbraw/zinc/87/22/30/189872230.db2.gz GOHXUGCYNSTRDU-VXGBXAGGSA-N -1 0 289.331 2.056 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000268930461 372290996 /nfs/dbraw/zinc/29/09/96/372290996.db2.gz IKXMDQCTOKLQBR-UBHSHLNASA-N -1 0 275.348 2.278 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccco2)[C@H]1c1ccccc1 ZINC000049466604 304174571 /nfs/dbraw/zinc/17/45/71/304174571.db2.gz DYUIYZKUYIIHPN-ZFWWWQNUSA-N -1 0 285.299 2.454 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CCCc3sccc32)C1 ZINC000168245578 304182833 /nfs/dbraw/zinc/18/28/33/304182833.db2.gz IAKRWXFJAYIHKW-CMPLNLGQSA-N -1 0 293.388 2.491 50 0 CEAARM O=C([O-])[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000001503127 304184099 /nfs/dbraw/zinc/18/40/99/304184099.db2.gz RZGUAQHPDVTBPX-QMMMGPOBSA-N -1 0 274.242 2.401 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1SCCc2ccccc21 ZINC000238072678 304185584 /nfs/dbraw/zinc/18/55/84/304185584.db2.gz QFZRQJCJZFHAEK-CHWSQXEVSA-N -1 0 291.372 2.093 50 0 CEAARM O=C(Nc1ccc(OC2CCCC2)nc1)c1cc(=O)[nH][n-]1 ZINC000408524361 375511020 /nfs/dbraw/zinc/51/10/20/375511020.db2.gz ZVTJGRBVQMHKEQ-UHFFFAOYSA-N -1 0 288.307 2.084 50 0 CEAARM C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]21 ZINC000017986612 296264089 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257.330 2.402 50 0 CEAARM C[C@H](CCc1ccccc1)NC(=O)CS[C@H](C)C(=O)[O-] ZINC000006509482 230369828 /nfs/dbraw/zinc/36/98/28/230369828.db2.gz RLLVWSJVKMKRLM-VXGBXAGGSA-N -1 0 295.404 2.330 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CC=CCC1 ZINC000095969935 185048889 /nfs/dbraw/zinc/04/88/89/185048889.db2.gz AKCFAPDSDQOLKH-CQSZACIVSA-N -1 0 273.332 2.456 50 0 CEAARM CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(=O)[O-] ZINC000095989534 185057254 /nfs/dbraw/zinc/05/72/54/185057254.db2.gz ZEVWLKAXDJPCHD-VHSXEESVSA-N -1 0 297.301 2.295 50 0 CEAARM COc1ccc2oc(C)c(C(=O)NC3(C(=O)[O-])CC3)c2c1 ZINC000095989654 185057870 /nfs/dbraw/zinc/05/78/70/185057870.db2.gz YPVWCXPSLOIXOD-UHFFFAOYSA-N -1 0 289.287 2.097 50 0 CEAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000033443292 361780394 /nfs/dbraw/zinc/78/03/94/361780394.db2.gz AERPOHXQCCQYQL-SECBINFHSA-N -1 0 290.344 2.321 50 0 CEAARM O=C([N-]OCc1ccccc1)[C@@H]1CC1(Cl)Cl ZINC000032882204 361761400 /nfs/dbraw/zinc/76/14/00/361761400.db2.gz 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/nfs/dbraw/zinc/15/31/93/185153193.db2.gz WHLUFXLJIBIYAS-AWEZNQCLSA-N -1 0 287.315 2.261 50 0 CEAARM CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000037793096 361939686 /nfs/dbraw/zinc/93/96/86/361939686.db2.gz VOCGWRZLDZGWDX-GDLCADMTSA-N -1 0 291.347 2.372 50 0 CEAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000097032926 185156274 /nfs/dbraw/zinc/15/62/74/185156274.db2.gz ZIMXFYABNLYVIL-NSHDSACASA-N -1 0 253.342 2.136 50 0 CEAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000097035349 185157394 /nfs/dbraw/zinc/15/73/94/185157394.db2.gz DASFXDXOGFVKQJ-WDEREUQCSA-N -1 0 281.377 2.483 50 0 CEAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccn(C2CCCC2)n1 ZINC000097035615 185166204 /nfs/dbraw/zinc/16/62/04/185166204.db2.gz DQOPDZDKUJJTKE-UHFFFAOYSA-N -1 0 293.367 2.324 50 0 CEAARM CC[C@H](NC(=O)[C@H]1C[C@@H]1c1sccc1C)C(=O)[O-] ZINC000097035866 185166267 /nfs/dbraw/zinc/16/62/67/185166267.db2.gz BGQVJXHHPHWTCU-GUBZILKMSA-N -1 0 267.350 2.139 50 0 CEAARM C/C(=C\C(=O)NCc1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC000097035910 185166369 /nfs/dbraw/zinc/16/63/69/185166369.db2.gz GEYCKAPNTYYONH-VMPITWQZSA-N -1 0 263.293 2.259 50 0 CEAARM CCc1ccc(C(=O)/N=c2\[n-]ncn2-c2ccccc2)o1 ZINC000096490112 529589813 /nfs/dbraw/zinc/58/98/13/529589813.db2.gz JCHGTCHSXCXPAQ-UHFFFAOYSA-N -1 0 282.303 2.097 50 0 CEAARM O=C([N-]c1nc[nH]n1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000206588651 539268878 /nfs/dbraw/zinc/26/88/78/539268878.db2.gz XWHJFPLHWOWQDP-UHFFFAOYSA-N -1 0 289.682 2.365 50 0 CEAARM COc1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000041104973 362018291 /nfs/dbraw/zinc/01/82/91/362018291.db2.gz XYEFQNNSVLDDPI-UHFFFAOYSA-N -1 0 263.318 2.496 50 0 CEAARM O=C([O-])CCC[S@](=O)c1ccc(Br)cc1 ZINC000040958347 362010716 /nfs/dbraw/zinc/01/07/16/362010716.db2.gz HCNOYBCQJITLQQ-OAHLLOKOSA-N -1 0 291.166 2.422 50 0 CEAARM COc1ccc(C(=O)[O-])c(OCCOC(C)C)c1 ZINC000042224289 362071393 /nfs/dbraw/zinc/07/13/93/362071393.db2.gz OVLSTOXVRZLEGH-UHFFFAOYSA-N -1 0 254.282 2.197 50 0 CEAARM CSc1nc2n(n1)[C@H]([C@H]1CC=CCC1)CC(C(=O)[O-])=N2 ZINC000101446968 295690151 /nfs/dbraw/zinc/69/01/51/295690151.db2.gz SOGPXPLTGCVPAJ-WPRPVWTQSA-N -1 0 292.364 2.291 50 0 CEAARM CC[C@@H](C)[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000000425514 343350273 /nfs/dbraw/zinc/35/02/73/343350273.db2.gz JVVDPDZJORLMFQ-KCJUWKMLSA-N -1 0 273.361 2.401 50 0 CEAARM CC(C)CSc1cc(S(=O)(=O)[O-])c(O)cc1O ZINC000004772974 343353163 /nfs/dbraw/zinc/35/31/63/343353163.db2.gz MJKUTUYUCPAZFZ-UHFFFAOYSA-N -1 0 278.351 2.093 50 0 CEAARM COc1ccc(-c2ccc3nc(C(=O)[O-])cc-3[nH]2)cn1 ZINC000685945078 539307275 /nfs/dbraw/zinc/30/72/75/539307275.db2.gz SFYPZTBKNXQKHF-UHFFFAOYSA-N -1 0 269.260 2.332 50 0 CEAARM C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136462737 344385334 /nfs/dbraw/zinc/38/53/34/344385334.db2.gz IPYVWMPWIVGWBV-JSGCOSHPSA-N -1 0 275.348 2.331 50 0 CEAARM Cc1c2ccccc2oc1C(=O)Nc1[n-]c(=O)ncc1F ZINC000170605930 344486297 /nfs/dbraw/zinc/48/62/97/344486297.db2.gz FLDKTPFMUGKBAP-UHFFFAOYSA-N -1 0 287.250 2.216 50 0 CEAARM CC(C)(NC(=O)/C=C\c1ccco1)C(C)(C)C(=O)[O-] ZINC000213608810 344533134 /nfs/dbraw/zinc/53/31/34/344533134.db2.gz QLWOADALECZMBL-FPLPWBNLSA-N -1 0 265.309 2.298 50 0 CEAARM Cc1cccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000050162199 362405940 /nfs/dbraw/zinc/40/59/40/362405940.db2.gz SSZNKXLTXQMKLR-CYBMUJFWSA-N -1 0 261.321 2.003 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1C ZINC000050921626 362423574 /nfs/dbraw/zinc/42/35/74/362423574.db2.gz RGGPKTFSQIGVPZ-LBPRGKRZSA-N -1 0 278.352 2.193 50 0 CEAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(Br)cc1 ZINC000057980277 362603833 /nfs/dbraw/zinc/60/38/33/362603833.db2.gz CIGGOCOFRAALQR-MWLCHTKSSA-N -1 0 298.136 2.053 50 0 CEAARM Cc1ccc2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2n1 ZINC000061875542 362693821 /nfs/dbraw/zinc/69/38/21/362693821.db2.gz XRHUXUCYQYFPAU-UHFFFAOYSA-N -1 0 288.332 2.067 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000062118666 362709568 /nfs/dbraw/zinc/70/95/68/362709568.db2.gz XNCSVPJEQGAWPJ-CQSZACIVSA-N -1 0 273.332 2.112 50 0 CEAARM Cc1cccc(-n2nnc(C(=O)[O-])c2-c2cccnc2)c1 ZINC000062267963 362716285 /nfs/dbraw/zinc/71/62/85/362716285.db2.gz NWUGHTBHBDJWOP-UHFFFAOYSA-N -1 0 280.287 2.336 50 0 CEAARM Cc1cccc(O[C@@H](C)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062913301 362733591 /nfs/dbraw/zinc/73/35/91/362733591.db2.gz OBDKJIGJYSAVTC-LRDDRELGSA-N -1 0 291.347 2.086 50 0 CEAARM CCc1ccsc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062914170 362733859 /nfs/dbraw/zinc/73/38/59/362733859.db2.gz RHBZILZLVIHMMH-CYBMUJFWSA-N -1 0 267.350 2.247 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2cccs2)C1 ZINC000062913472 362733942 /nfs/dbraw/zinc/73/39/42/362733942.db2.gz FZRKZMBSTXEOGZ-CYBMUJFWSA-N -1 0 267.350 2.004 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1F ZINC000063055310 362747017 /nfs/dbraw/zinc/74/70/17/362747017.db2.gz SVCRXDDLDXEULM-NSHDSACASA-N -1 0 265.284 2.071 50 0 CEAARM O=C([O-])c1nnn(-c2cccc(F)c2)c1-c1ccccn1 ZINC000065288246 362807230 /nfs/dbraw/zinc/80/72/30/362807230.db2.gz AJBZZXSWHNDDGY-UHFFFAOYSA-N -1 0 284.250 2.167 50 0 CEAARM CCc1ccc(CN(C)Cc2ncccc2C(=O)[O-])nc1 ZINC000065526108 362831402 /nfs/dbraw/zinc/83/14/02/362831402.db2.gz JRDLQHVJPFCWRV-UHFFFAOYSA-N -1 0 285.347 2.369 50 0 CEAARM COc1ccccc1/C=C\C(=O)NC1(C(=O)[O-])CCCC1 ZINC000103427096 185838814 /nfs/dbraw/zinc/83/88/14/185838814.db2.gz CXIWJKDXQRYVKP-HJWRWDBZSA-N -1 0 289.331 2.222 50 0 CEAARM CCC[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1C(=O)[O-] ZINC000091829449 180266102 /nfs/dbraw/zinc/26/61/02/180266102.db2.gz AGADJTYPNXQCBX-DGCLKSJQSA-N -1 0 279.336 2.172 50 0 CEAARM CC(C)[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000091894578 180282598 /nfs/dbraw/zinc/28/25/98/180282598.db2.gz WRLUBEKHWPLMTJ-DTWKUNHWSA-N -1 0 281.274 2.144 50 0 CEAARM C[C@H](CN(C)C(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237626 180349801 /nfs/dbraw/zinc/34/98/01/180349801.db2.gz KBZGCOVMOPGJDX-KOLCDFICSA-N -1 0 279.361 2.055 50 0 CEAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2cc(F)ccc2F)C1 ZINC000108657464 186226465 /nfs/dbraw/zinc/22/64/65/186226465.db2.gz CKHNVPBKATXSTH-VHSXEESVSA-N -1 0 297.301 2.472 50 0 CEAARM CC(=O)NC1CCC(N=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000070040626 363023652 /nfs/dbraw/zinc/02/36/52/363023652.db2.gz FIIYQDLCJDFQEO-UHFFFAOYSA-N -1 0 289.335 2.231 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)C1CCc2ccccc2CC1 ZINC000630174850 351648745 /nfs/dbraw/zinc/64/87/45/351648745.db2.gz NJFQVVGHGWQXNF-HNNXBMFYSA-N -1 0 287.359 2.257 50 0 CEAARM O=C([O-])[C@@]1(NC(=O)c2coc3ccccc23)CCSC1 ZINC000070391013 363077922 /nfs/dbraw/zinc/07/79/22/363077922.db2.gz YCDPJIRNZDEOFZ-CQSZACIVSA-N -1 0 291.328 2.123 50 0 CEAARM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)C1CCCCCC1 ZINC000630273698 351676394 /nfs/dbraw/zinc/67/63/94/351676394.db2.gz SBQMDTQYIRIUEN-TZMCWYRMSA-N -1 0 297.395 2.343 50 0 CEAARM Cc1ccc(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000071772865 363113062 /nfs/dbraw/zinc/11/30/62/363113062.db2.gz JACAVNHNDAFZNR-UHFFFAOYSA-N -1 0 292.312 2.232 50 0 CEAARM C[C@H](NC(=O)c1ccc2[nH]ccc2c1)[C@H](C)C(=O)[O-] ZINC000132692937 187642968 /nfs/dbraw/zinc/64/29/68/187642968.db2.gz QCDWCYIBWBZOJD-IUCAKERBSA-N -1 0 260.293 2.007 50 0 CEAARM O=C([O-])C1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000154775053 304027938 /nfs/dbraw/zinc/02/79/38/304027938.db2.gz CNSQXFBTGZCUGE-HTQZYQBOSA-N -1 0 279.258 2.089 50 0 CEAARM O=C([O-])C1(C(=O)N2CCc3c(Cl)cccc3C2)CC1 ZINC000154914978 188170067 /nfs/dbraw/zinc/17/00/67/188170067.db2.gz YDVLHIDJLNPROP-UHFFFAOYSA-N -1 0 279.723 2.090 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)c2ccncc2F)c2ccccc21 ZINC000131972727 366106251 /nfs/dbraw/zinc/10/62/51/366106251.db2.gz SVGKZIZMCDLFDT-NSHDSACASA-N -1 0 286.262 2.049 50 0 CEAARM O=C(OCc1ccccc1)N1CCC([S@@](=O)[O-])CC1 ZINC000204720227 542253486 /nfs/dbraw/zinc/25/34/86/542253486.db2.gz UYXWEWYKDJKVHW-UHFFFAOYSA-N -1 0 283.349 2.009 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237559 283109277 /nfs/dbraw/zinc/10/92/77/283109277.db2.gz 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/nfs/dbraw/zinc/13/37/96/361133796.db2.gz LZVZEQCJORCGOK-DTWKUNHWSA-N -1 0 288.166 2.237 50 0 CEAARM Cc1ccc(Cn2c3ccccc3n(CC(=O)[O-])c2=N)cc1 ZINC000000274838 361155724 /nfs/dbraw/zinc/15/57/24/361155724.db2.gz CSAPTKPEBSBDEZ-UHFFFAOYSA-N -1 0 295.342 2.364 50 0 CEAARM O=C([O-])CCC(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000000313462 361159982 /nfs/dbraw/zinc/15/99/82/361159982.db2.gz JAXSELKSZJMFSA-UHFFFAOYSA-N -1 0 284.315 2.476 50 0 CEAARM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000000533722 361184587 /nfs/dbraw/zinc/18/45/87/361184587.db2.gz WFSPNIXVYXLDLL-NSHDSACASA-N -1 0 250.298 2.226 50 0 CEAARM O=C([O-])CCSc1nnc(-c2ccccc2)o1 ZINC000000882232 361194865 /nfs/dbraw/zinc/19/48/65/361194865.db2.gz ZIESRBQNYICEPD-UHFFFAOYSA-N -1 0 250.279 2.303 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ncccc1Cl ZINC000002742727 361247890 /nfs/dbraw/zinc/24/78/90/361247890.db2.gz CRKUXVKEWKQKJC-RKDXNWHRSA-N -1 0 280.711 2.341 50 0 CEAARM CSCC[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000001744304 361220853 /nfs/dbraw/zinc/22/08/53/361220853.db2.gz DCMPKVHODYRIOK-LLVKDONJSA-N -1 0 277.349 2.248 50 0 CEAARM Cc1ccc(OCCSc2nnc(C)c(=O)[n-]2)cc1 ZINC000002606953 361242315 /nfs/dbraw/zinc/24/23/15/361242315.db2.gz JKWVARODVUMKLF-UHFFFAOYSA-N -1 0 277.349 2.365 50 0 CEAARM COc1ccc2nc([C@H]3N[C@H](C(=O)[O-])CS3)ccc2c1 ZINC000004000096 361295865 /nfs/dbraw/zinc/29/58/65/361295865.db2.gz OXSIGZXEVCVMHP-STQMWFEESA-N -1 0 290.344 2.032 50 0 CEAARM COC(=O)c1cc(C)sc1NC(=O)CCCC(=O)[O-] ZINC000004278416 361308777 /nfs/dbraw/zinc/30/87/77/361308777.db2.gz IVMMVJLVRAFRDT-UHFFFAOYSA-N -1 0 285.321 2.037 50 0 CEAARM O=C([O-])CCNc1ncnc2c3ccccc3oc21 ZINC000004624167 361324322 /nfs/dbraw/zinc/32/43/22/361324322.db2.gz UCXIHPMGZFSJQY-UHFFFAOYSA-N -1 0 257.249 2.263 50 0 CEAARM COc1ccccc1/C(C)=C/C(=O)N(CC(=O)[O-])C1CC1 ZINC000237088927 370688910 /nfs/dbraw/zinc/68/89/10/370688910.db2.gz YJXKEBBGBUQIEF-PKNBQFBNSA-N -1 0 289.331 2.174 50 0 CEAARM COc1cccc(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)c1O ZINC000011694734 361361770 /nfs/dbraw/zinc/36/17/70/361361770.db2.gz POQPHRSPGFFGSO-UHFFFAOYSA-N -1 0 299.286 2.346 50 0 CEAARM COc1cccc(-n2nnc(C(=O)[O-])c2C(C)C)c1 ZINC000011760427 361363900 /nfs/dbraw/zinc/36/39/00/361363900.db2.gz CHXFICAFGNAZON-UHFFFAOYSA-N -1 0 261.281 2.098 50 0 CEAARM O=C([O-])C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000012649299 361395031 /nfs/dbraw/zinc/39/50/31/361395031.db2.gz IUYVTLSEDKQGQY-LBPRGKRZSA-N -1 0 263.293 2.120 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000013170704 361422231 /nfs/dbraw/zinc/42/22/31/361422231.db2.gz IPCNICDLVDUTPN-LLVKDONJSA-N -1 0 281.739 2.206 50 0 CEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1 ZINC000013536105 361431168 /nfs/dbraw/zinc/43/11/68/361431168.db2.gz RIVKVBZBVUJZCC-JSGCOSHPSA-N -1 0 277.320 2.079 50 0 CEAARM Cc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@@H]2CC(=O)[O-] ZINC000015085589 361466197 /nfs/dbraw/zinc/46/61/97/361466197.db2.gz OGBMEGYUKUNYJH-NSHDSACASA-N -1 0 285.303 2.135 50 0 CEAARM Cc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@@H](CC(=O)[O-])C2 ZINC000015081310 361466226 /nfs/dbraw/zinc/46/62/26/361466226.db2.gz RFYTUEOHUKLXAI-LBPRGKRZSA-N -1 0 299.330 2.210 50 0 CEAARM CCc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000017007771 361502393 /nfs/dbraw/zinc/50/23/93/361502393.db2.gz ABYYKIUJKRXDJS-UHFFFAOYSA-N -1 0 277.349 2.148 50 0 CEAARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1CCO ZINC000018167542 361515172 /nfs/dbraw/zinc/51/51/72/361515172.db2.gz NBQNBISPSRUQOO-NSHDSACASA-N -1 0 252.701 2.061 50 0 CEAARM CCOC(=O)Cc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000018276151 361517892 /nfs/dbraw/zinc/51/78/92/361517892.db2.gz GLDRVVHUCLPQNU-UHFFFAOYSA-N -1 0 297.314 2.208 50 0 CEAARM CCn1c(=O)c2c3c(sc2[n-]c1=S)CN(C)CC3 ZINC000019904127 361566044 /nfs/dbraw/zinc/56/60/44/361566044.db2.gz ZKRSXBSLRRFRKD-UHFFFAOYSA-N -1 0 281.406 2.128 50 0 CEAARM COc1ccccc1-c1cnn2c1ncc(C(=O)[O-])c2C ZINC000020342933 361582964 /nfs/dbraw/zinc/58/29/64/361582964.db2.gz FESCFYWMUFZFIH-UHFFFAOYSA-N -1 0 283.287 2.412 50 0 CEAARM CO[N-]C(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1 ZINC000025823388 361632759 /nfs/dbraw/zinc/63/27/59/361632759.db2.gz YNMWSMOZGRUMOL-GFCCVEGCSA-N -1 0 298.770 2.162 50 0 CEAARM Cc1nn(C)c(C)c1-c1n[nH]c2c1cccc2C(=O)[O-] ZINC000031992108 361724536 /nfs/dbraw/zinc/72/45/36/361724536.db2.gz GSJXTIZAMXCYIZ-UHFFFAOYSA-N -1 0 270.292 2.278 50 0 CEAARM CC(C)(C)CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000089642988 363987787 /nfs/dbraw/zinc/98/77/87/363987787.db2.gz HNXCFFZDZNPCBG-CYBMUJFWSA-N -1 0 277.364 2.482 50 0 CEAARM C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)[O-] ZINC000089941291 364019992 /nfs/dbraw/zinc/01/99/92/364019992.db2.gz GXZNLDBSPJFOJG-CABZTGNLSA-N -1 0 269.728 2.186 50 0 CEAARM CCn1c(CN2CCC[C@H]2C(=O)[O-])nc2c1cccc2F ZINC000237213176 370701616 /nfs/dbraw/zinc/70/16/16/370701616.db2.gz AVGGEVSXHPUFIF-LBPRGKRZSA-N -1 0 291.326 2.244 50 0 CEAARM C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000237324174 370710564 /nfs/dbraw/zinc/71/05/64/370710564.db2.gz DYIBUEAWEPFXBH-GXFFZTMASA-N 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/nfs/dbraw/zinc/73/97/90/370739790.db2.gz SKKKMAAESJDBSI-LSDHHAIUSA-N -1 0 287.359 2.422 50 0 CEAARM Cn1ccc2c1cccc2C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237809443 370752288 /nfs/dbraw/zinc/75/22/88/370752288.db2.gz KTQLAINLMNZSOQ-NSHDSACASA-N -1 0 286.331 2.115 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000238075100 370769730 /nfs/dbraw/zinc/76/97/30/370769730.db2.gz AVSDDWYZYTZUIO-LBPRGKRZSA-N -1 0 299.330 2.014 50 0 CEAARM O=C([O-])c1cccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000238201272 370772264 /nfs/dbraw/zinc/77/22/64/370772264.db2.gz XWMRJWSVKVEZEI-NSHDSACASA-N -1 0 289.331 2.026 50 0 CEAARM O=C([O-])Cc1ccccc1NC(=O)C[C@H]1CCCCO1 ZINC000095031202 364324126 /nfs/dbraw/zinc/32/41/26/364324126.db2.gz UKUAIMCXEDOLKH-GFCCVEGCSA-N -1 0 277.320 2.211 50 0 CEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1CCCCO1 ZINC000095031102 364324160 /nfs/dbraw/zinc/32/41/60/364324160.db2.gz ZDFZJAQYHBETPZ-AWEZNQCLSA-N -1 0 291.347 2.302 50 0 CEAARM 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ZINC000238216553 189900255 /nfs/dbraw/zinc/90/02/55/189900255.db2.gz VHFOLUNKKSSOOV-QWHCGFSZSA-N -1 0 259.305 2.047 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1SCCc2ccccc21 ZINC000238074880 304185821 /nfs/dbraw/zinc/18/58/21/304185821.db2.gz QFZRQJCJZFHAEK-OLZOCXBDSA-N -1 0 291.372 2.093 50 0 CEAARM CCCOc1ccccc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000426395116 377402894 /nfs/dbraw/zinc/40/28/94/377402894.db2.gz CTOZWMVKCAAAFT-UHFFFAOYSA-N -1 0 277.320 2.213 50 0 CEAARM CC1(C)C[C@]1(C(=O)NC1(C(=O)[O-])CC1)c1cccs1 ZINC000426518985 377415429 /nfs/dbraw/zinc/41/54/29/377415429.db2.gz PBCZWKODTVLJMT-CQSZACIVSA-N -1 0 279.361 2.149 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000299742510 379125779 /nfs/dbraw/zinc/12/57/79/379125779.db2.gz JSTSDGUEDPBIHF-GGZOMVNGSA-N -1 0 295.285 2.001 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CC1 ZINC000299741742 379125847 /nfs/dbraw/zinc/12/58/47/379125847.db2.gz AKCCSOCJOHYFJO-YNEHKIRRSA-N -1 0 277.295 2.114 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000299752442 379126886 /nfs/dbraw/zinc/12/68/86/379126886.db2.gz UDSKZPRIIKEFGB-DJLDLDEBSA-N -1 0 296.392 2.339 50 0 CEAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCCO3)on1 ZINC000008733302 304219254 /nfs/dbraw/zinc/21/92/54/304219254.db2.gz UAEMVDTWINJULT-UHFFFAOYSA-N -1 0 261.233 2.201 50 0 CEAARM O=C([O-])c1cc(C2CC2)n2nc(C(F)(F)F)cc2n1 ZINC000223251350 304224038 /nfs/dbraw/zinc/22/40/38/304224038.db2.gz DGJFUPSJJBZGHX-UHFFFAOYSA-N -1 0 271.198 2.324 50 0 CEAARM O=C([O-])c1ccc(-n2ccnc2)c(Br)c1 ZINC000042684271 304230994 /nfs/dbraw/zinc/23/09/94/304230994.db2.gz DPGOYWGOSVWTDZ-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM CCN(CC)C(=O)Cc1cc(C(=O)[O-])c2ccccc2n1 ZINC000000382015 169624451 /nfs/dbraw/zinc/62/44/51/169624451.db2.gz LDKRGZXVMWXCDL-UHFFFAOYSA-N -1 0 286.331 2.344 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000271917713 304237504 /nfs/dbraw/zinc/23/75/04/304237504.db2.gz GSNHZBGXCQUNIR-BFHYXJOUSA-N 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/nfs/dbraw/zinc/08/15/02/170081502.db2.gz CMVQLHGRVSRVCR-RXMQYKEDSA-N -1 0 295.389 2.327 50 0 CEAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000005516109 170107019 /nfs/dbraw/zinc/10/70/19/170107019.db2.gz DQRNDEPUAOBYQO-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM CC(C)(C)c1csc(NC(=O)CCC(=O)[O-])n1 ZINC000006700157 170228628 /nfs/dbraw/zinc/22/86/28/170228628.db2.gz LTEGOGTWQQWAHO-UHFFFAOYSA-N -1 0 256.327 2.244 50 0 CEAARM COc1ccc([N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000007056547 170265100 /nfs/dbraw/zinc/26/51/00/170265100.db2.gz FJDJNECTYYGVHN-UHFFFAOYSA-N -1 0 282.296 2.030 50 0 CEAARM CC[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000008828716 170356722 /nfs/dbraw/zinc/35/67/22/170356722.db2.gz PNQTVGLDFGZFLQ-SECBINFHSA-N -1 0 264.306 2.291 50 0 CEAARM Cc1ccc(-n2cnnc2SCC(=O)[O-])cc1Cl ZINC000009322543 170372500 /nfs/dbraw/zinc/37/25/00/170372500.db2.gz POFFTFMCPKCDSQ-UHFFFAOYSA-N -1 0 283.740 2.406 50 0 CEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000009378504 170375043 /nfs/dbraw/zinc/37/50/43/170375043.db2.gz ZQKZUGFBHRCEPN-UHFFFAOYSA-N -1 0 293.392 2.455 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccn2)C1 ZINC000012954684 170522972 /nfs/dbraw/zinc/52/29/72/170522972.db2.gz BCVDNYNGCYPVGC-QWRGUYRKSA-N -1 0 292.335 2.117 50 0 CEAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000013442312 170550407 /nfs/dbraw/zinc/55/04/07/170550407.db2.gz OLPRXZQGLJOCEG-CYBMUJFWSA-N -1 0 273.332 2.400 50 0 CEAARM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C ZINC000022157971 171362939 /nfs/dbraw/zinc/36/29/39/171362939.db2.gz YPHJCUVFUGNCQD-UHFFFAOYSA-N -1 0 294.332 2.131 50 0 CEAARM O=S(=O)([N-]C1CCCC1)c1c(F)cccc1F ZINC000022453368 171388023 /nfs/dbraw/zinc/38/80/23/171388023.db2.gz MWKIHVLXAXCSPH-UHFFFAOYSA-N -1 0 261.293 2.186 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033441296 171802055 /nfs/dbraw/zinc/80/20/55/171802055.db2.gz BEAFAQURNJCAOY-JECSTDCCSA-N -1 0 279.723 2.429 50 0 CEAARM O=C([O-])c1ccccc1NC(=O)NC(=O)c1ccccc1 ZINC000035178179 172031193 /nfs/dbraw/zinc/03/11/93/172031193.db2.gz SYPMVRRIFVLKFE-UHFFFAOYSA-N -1 0 284.271 2.347 50 0 CEAARM O=C([O-])[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 ZINC000035302014 172116086 /nfs/dbraw/zinc/11/60/86/172116086.db2.gz PQOPKCACFCYHBP-GFCCVEGCSA-N -1 0 272.304 2.391 50 0 CEAARM CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000035348575 172142583 /nfs/dbraw/zinc/14/25/83/172142583.db2.gz XZGAYAVXVPBEKX-SECBINFHSA-N -1 0 288.390 2.436 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2cccc3[nH]ccc32)CC1 ZINC000037244748 173059387 /nfs/dbraw/zinc/05/93/87/173059387.db2.gz MBMFUHBWSXAXLN-UHFFFAOYSA-N -1 0 272.304 2.105 50 0 CEAARM COc1ccc(/C=C/C(=O)N(C)CCCC(=O)[O-])cc1F ZINC000037455961 173220852 /nfs/dbraw/zinc/22/08/52/173220852.db2.gz UVVCSBXQZNFVSD-SOFGYWHQSA-N -1 0 295.310 2.171 50 0 CEAARM Cc1cccc(OCCCC(=O)NC(C)(C)C(=O)[O-])c1 ZINC000040910015 174432191 /nfs/dbraw/zinc/43/21/91/174432191.db2.gz IWQXELXHORBJLC-UHFFFAOYSA-N -1 0 279.336 2.133 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000043583273 175070372 /nfs/dbraw/zinc/07/03/72/175070372.db2.gz MLZYXCAMZMDRGD-NSHDSACASA-N -1 0 281.377 2.394 50 0 CEAARM C[C@H]1Oc2ccccc2O[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000048236675 175422932 /nfs/dbraw/zinc/42/29/32/175422932.db2.gz VAOMCMKYGOWXMO-MLGOLLRUSA-N -1 0 299.326 2.463 50 0 CEAARM CC(C)CNC(=O)C[C@H](CC(=O)[O-])c1cccs1 ZINC000057557316 175598774 /nfs/dbraw/zinc/59/87/74/175598774.db2.gz VQZYVMSHOAPLMS-SNVBAGLBSA-N -1 0 269.366 2.469 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2cccs2)C1 ZINC000062912897 175677449 /nfs/dbraw/zinc/67/74/49/175677449.db2.gz NLGFXNPCHNMEMM-IHVVCDCBSA-N -1 0 265.334 2.085 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2coc3ccccc23)C1 ZINC000070391425 175906769 /nfs/dbraw/zinc/90/67/69/175906769.db2.gz DEHYGSAXPMSPAU-OAHLLOKOSA-N -1 0 273.288 2.370 50 0 CEAARM CCN(C(=O)c1ccc2c(c1)CCC2)[C@H](C)C(=O)[O-] ZINC000659772045 415675128 /nfs/dbraw/zinc/67/51/28/415675128.db2.gz CMLCQQQTEXTOGN-SNVBAGLBSA-N -1 0 261.321 2.111 50 0 CEAARM O=C([O-])C1CN(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000071172655 176052900 /nfs/dbraw/zinc/05/29/00/176052900.db2.gz DQRWSGUOBRZKOO-UHFFFAOYSA-N -1 0 277.364 2.136 50 0 CEAARM Cc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000071286653 176109916 /nfs/dbraw/zinc/10/99/16/176109916.db2.gz ZQPSGEVVGLWWKE-UHFFFAOYSA-N -1 0 270.288 2.269 50 0 CEAARM C[C@H](C(=O)[O-])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000071863583 176280710 /nfs/dbraw/zinc/28/07/10/176280710.db2.gz CWDDDCUAHKFSJQ-UWVGGRQHSA-N -1 0 257.330 2.354 50 0 CEAARM CNc1cc(-c2c(C)nn(CC(=O)[O-])c2C)c2cc[nH]c2n1 ZINC000072156157 176328517 /nfs/dbraw/zinc/32/85/17/176328517.db2.gz VRRDEPKVVKQQSH-UHFFFAOYSA-N -1 0 299.334 2.170 50 0 CEAARM COCc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000072240310 176347879 /nfs/dbraw/zinc/34/78/79/176347879.db2.gz HPUZMMKSLDHYRM-UHFFFAOYSA-N -1 0 284.362 2.090 50 0 CEAARM CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)C(=O)[O-] ZINC000087493193 278378990 /nfs/dbraw/zinc/37/89/90/278378990.db2.gz JWWNJDSEXLKVLH-JTQLQIEISA-N -1 0 265.256 2.106 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(C2(C(=O)[O-])CC2)CC1 ZINC000095743492 278381378 /nfs/dbraw/zinc/38/13/78/278381378.db2.gz LJOVYTYFUPIVES-UHFFFAOYSA-N -1 0 269.341 2.498 50 0 CEAARM CC(C)=C[C@H]1[C@H](C(=O)N(C)CCC(=O)[O-])C1(C)C ZINC000097018589 278667949 /nfs/dbraw/zinc/66/79/49/278667949.db2.gz LNICEQPDYJFLND-CMPLNLGQSA-N -1 0 253.342 2.158 50 0 CEAARM CC(C)C[C@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000005349055 279185786 /nfs/dbraw/zinc/18/57/86/279185786.db2.gz ZRDAHPLPNLLSNA-TUAOUCFPSA-N -1 0 270.373 2.173 50 0 CEAARM CC(C)c1ccc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033443468 280609964 /nfs/dbraw/zinc/60/99/64/280609964.db2.gz YXHZAQKMQXSHQR-CQSZACIVSA-N -1 0 291.347 2.264 50 0 CEAARM CC1=C(C(=O)[O-])[C@H](c2ccccc2)N(C)C(=O)N1C ZINC000003846948 281656083 /nfs/dbraw/zinc/65/60/83/281656083.db2.gz OPNHLILMXFDNLY-LBPRGKRZSA-N -1 0 260.293 2.084 50 0 CEAARM CC1CCC(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000006880651 281756197 /nfs/dbraw/zinc/75/61/97/281756197.db2.gz PUCNMHASSRPEKB-IFWUJCSASA-N -1 0 265.353 2.348 50 0 CEAARM CCC(=O)N1c2cc(Cl)ccc2OC[C@@H]1CC(=O)[O-] ZINC000299803774 281945184 /nfs/dbraw/zinc/94/51/84/281945184.db2.gz CFTKLOGTPYUHES-VIFPVBQESA-N -1 0 283.711 2.319 50 0 CEAARM C[C@@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000004812646 297928396 /nfs/dbraw/zinc/92/83/96/297928396.db2.gz LNCSDWDMZZWUBD-RDFWBEMPSA-N -1 0 297.310 2.086 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000062913993 300783430 /nfs/dbraw/zinc/78/34/30/300783430.db2.gz ZKGBMHRJMJMLLU-PBHICJAKSA-N -1 0 287.359 2.430 50 0 CEAARM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc2n1 ZINC000019518312 301095391 /nfs/dbraw/zinc/09/53/91/301095391.db2.gz ZUBNHBKUJOHPCH-CQSZACIVSA-N -1 0 284.315 2.232 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1C ZINC000019397296 301500491 /nfs/dbraw/zinc/50/04/91/301500491.db2.gz PAOKZMBKTRMXFB-ZDUSSCGKSA-N -1 0 261.321 2.383 50 0 CEAARM Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[O-] ZINC000004303117 301663155 /nfs/dbraw/zinc/66/31/55/301663155.db2.gz VAOLXVJIDKIWKA-UHFFFAOYSA-N -1 0 297.376 2.258 50 0 CEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000237224267 302223769 /nfs/dbraw/zinc/22/37/69/302223769.db2.gz WCFTZHYPFNZNKV-CHWSQXEVSA-N -1 0 261.321 2.032 50 0 CEAARM Cn1nc(C(=O)[O-])c2c1cccc2Br ZINC000095707449 303043098 /nfs/dbraw/zinc/04/30/98/303043098.db2.gz AGRNZVLPOSJJNT-UHFFFAOYSA-N -1 0 255.071 2.034 50 0 CEAARM COc1c(C)cc(-c2cn(C)nc2C(=O)[O-])cc1C ZINC000534578202 328310738 /nfs/dbraw/zinc/31/07/38/328310738.db2.gz HYAXAAFFWIZAJK-UHFFFAOYSA-N -1 0 260.293 2.411 50 0 CEAARM Cc1nn(C)c(C(=O)[O-])c1-c1cccc(-c2cc[nH]n2)c1 ZINC000534632917 328331934 /nfs/dbraw/zinc/33/19/34/328331934.db2.gz UFYYEGYVSOTBFG-UHFFFAOYSA-N -1 0 282.303 2.484 50 0 CEAARM Cn1cc(-c2ccc3ncccc3c2)c(C(=O)[O-])n1 ZINC000534652469 328337855 /nfs/dbraw/zinc/33/78/55/328337855.db2.gz MMRAXTPPPIZYRW-UHFFFAOYSA-N -1 0 253.261 2.334 50 0 CEAARM CC(C)c1cc(C(=O)NCc2n[n-]c(=N)s2)cs1 ZINC000534676084 328356366 /nfs/dbraw/zinc/35/63/66/328356366.db2.gz XLLMYEXNSSOBLS-UHFFFAOYSA-N -1 0 282.394 2.066 50 0 CEAARM CCOc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCOCC1 ZINC000095352629 327202452 /nfs/dbraw/zinc/20/24/52/327202452.db2.gz ZIDXXCMFTFMQHD-ZDUSSCGKSA-N -1 0 299.754 2.197 50 0 CEAARM O=C([O-])CCn1nc(-c2cccc(Cl)c2)ccc1=O ZINC000057352071 500685912 /nfs/dbraw/zinc/68/59/12/500685912.db2.gz JLWGRHABTLSHCV-UHFFFAOYSA-N -1 0 278.695 2.038 50 0 CEAARM CC[C@]1(C)C[C@H]1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262864542 523596142 /nfs/dbraw/zinc/59/61/42/523596142.db2.gz AYJJNYGXMDQZAA-AXTRIDKLSA-N -1 0 293.285 2.288 50 0 CEAARM CC(C)c1nc(C(=O)N(CC(=O)[O-])CC2CC2)cs1 ZINC000097017894 528259813 /nfs/dbraw/zinc/25/98/13/528259813.db2.gz IGIMBESSQZAXLO-UHFFFAOYSA-N -1 0 282.365 2.203 50 0 CEAARM CC(=O)c1csc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000236585409 534944171 /nfs/dbraw/zinc/94/41/71/534944171.db2.gz FCKZDEHYXILUJF-SNVBAGLBSA-N -1 0 283.349 2.180 50 0 CEAARM CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](C(=O)[O-])C1 ZINC000950756053 613974588 /nfs/dbraw/zinc/97/45/88/613974588.db2.gz GLMLDEYDJXVCHC-VIFPVBQESA-N -1 0 257.330 2.354 50 0 CEAARM COC(=O)N=c1[n-]nc(Cc2ccccc2F)s1 ZINC000000620091 622954632 /nfs/dbraw/zinc/95/46/32/622954632.db2.gz SLPBJWGUMVIDQQ-UHFFFAOYSA-N -1 0 267.285 2.446 50 0 CEAARM CN(Cc1ccccc1)C(=O)N1CC[C@@H](CCC(=O)[O-])C1 ZINC000134628580 802918566 /nfs/dbraw/zinc/91/85/66/802918566.db2.gz RBCGDRMIUAJTAA-CQSZACIVSA-N -1 0 290.363 2.425 50 0 CEAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC1 ZINC000096480100 230380337 /nfs/dbraw/zinc/38/03/37/230380337.db2.gz XVVPDOSFQPCRGF-UHFFFAOYSA-N -1 0 283.274 2.178 50 0 CEAARM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)on1 ZINC000095957001 185042640 /nfs/dbraw/zinc/04/26/40/185042640.db2.gz NPCAGVOJKPBEHO-NSHDSACASA-N -1 0 292.266 2.068 50 0 CEAARM CC(C)(CNC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000095970748 185048939 /nfs/dbraw/zinc/04/89/39/185048939.db2.gz ZCINOJLTVYUCPM-UHFFFAOYSA-N -1 0 260.293 2.009 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000095989432 185057708 /nfs/dbraw/zinc/05/77/08/185057708.db2.gz VPAQKYBRXFYCAR-NXEZZACHSA-N -1 0 267.350 2.093 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC000095991999 185058239 /nfs/dbraw/zinc/05/82/39/185058239.db2.gz KWYGXNMFSSWYBD-ZYHUDNBSSA-N -1 0 297.301 2.267 50 0 CEAARM Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033443204 361779952 /nfs/dbraw/zinc/77/99/52/361779952.db2.gz DZAIGUJKHZVVGP-ZDUSSCGKSA-N -1 0 289.331 2.034 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C\c2ccccc2F)CC1 ZINC000096793842 185114314 /nfs/dbraw/zinc/11/43/14/185114314.db2.gz JXBSHYLFBNPGQX-WAYWQWQTSA-N -1 0 277.295 2.162 50 0 CEAARM COc1ccccc1NC(=O)N(CCC(=O)[O-])C1CC1 ZINC000037591026 361908529 /nfs/dbraw/zinc/90/85/29/361908529.db2.gz POYJUDQQYJGSHE-UHFFFAOYSA-N -1 0 278.308 2.166 50 0 CEAARM CC(C)c1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000097018981 185152476 /nfs/dbraw/zinc/15/24/76/185152476.db2.gz ZHSOIKFVNCSAFY-CYBMUJFWSA-N -1 0 282.365 2.203 50 0 CEAARM Cc1ccccc1C[C@H](CNC(=O)C1CCC1)C(=O)[O-] ZINC000097018821 185152753 /nfs/dbraw/zinc/15/27/53/185152753.db2.gz LZBXMXNURCIPBT-CQSZACIVSA-N -1 0 275.348 2.155 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000097035430 185166521 /nfs/dbraw/zinc/16/65/21/185166521.db2.gz UXWOQBZTFUHLIL-WDEREUQCSA-N -1 0 281.377 2.483 50 0 CEAARM CCc1ccsc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000042411091 362091360 /nfs/dbraw/zinc/09/13/60/362091360.db2.gz ITYTXOUXOXZHDJ-UHFFFAOYSA-N -1 0 267.350 2.247 50 0 CEAARM C[C@@H](CN(C)C(=O)Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000042694858 362111024 /nfs/dbraw/zinc/11/10/24/362111024.db2.gz OKLWACWJHVVBOX-VIFPVBQESA-N -1 0 269.728 2.062 50 0 CEAARM O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)C(=O)N1 ZINC000005850213 343355087 /nfs/dbraw/zinc/35/50/87/343355087.db2.gz IKVPZYAOGOJTLK-UHFFFAOYSA-N -1 0 280.283 2.179 50 0 CEAARM C/N=C1\S[C@H](CC(=O)[O-])C(=O)N1c1ccc(C)c(C)c1 ZINC000075260724 343844048 /nfs/dbraw/zinc/84/40/48/343844048.db2.gz CJPQZTDPVCXOBX-PHIZWAGYSA-N -1 0 292.360 2.212 50 0 CEAARM CC(C)[C@H]1OC(=O)N(Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000096675759 344240721 /nfs/dbraw/zinc/24/07/21/344240721.db2.gz PXNKOCGTFYRCJV-VXGBXAGGSA-N -1 0 263.293 2.117 50 0 CEAARM C[C@H](Cc1ccccc1)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000097231289 344243882 /nfs/dbraw/zinc/24/38/82/344243882.db2.gz FTYRTDGOMFIBEN-BZNIZROVSA-N -1 0 275.348 2.235 50 0 CEAARM CCC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)c1ccccc1 ZINC000170599444 344485958 /nfs/dbraw/zinc/48/59/58/344485958.db2.gz FICYWQCAFWGEMU-NWDGAFQWSA-N -1 0 283.393 2.425 50 0 CEAARM CC(C)(C)ONC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000170617033 344487057 /nfs/dbraw/zinc/48/70/57/344487057.db2.gz WAFBZAXHHFSJMS-UHFFFAOYSA-N -1 0 280.250 2.297 50 0 CEAARM Cc1sc2nc3c(C(=O)[O-])cccn3c(=O)c2c1C ZINC000051262963 362427899 /nfs/dbraw/zinc/42/78/99/362427899.db2.gz GZPXCZCYSIIANV-UHFFFAOYSA-N -1 0 274.301 2.224 50 0 CEAARM CCc1c(C(=O)[O-])nnn1Cc1c(F)cccc1Cl ZINC000050214008 362410560 /nfs/dbraw/zinc/41/05/60/362410560.db2.gz QLOBHAIYJHKVBT-UHFFFAOYSA-N -1 0 283.690 2.380 50 0 CEAARM CCC[C@H](NC(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000052980904 362477327 /nfs/dbraw/zinc/47/73/27/362477327.db2.gz PZEYNLUOAIASOK-NSHDSACASA-N -1 0 253.273 2.117 50 0 CEAARM Cc1nnsc1C(=O)[N-]c1nonc1-c1ccccc1 ZINC000027788943 282372938 /nfs/dbraw/zinc/37/29/38/282372938.db2.gz UHZVDKIMXPYTSV-UHFFFAOYSA-N -1 0 287.304 2.149 50 0 CEAARM CCNc1ncc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cn1 ZINC000055413880 362550221 /nfs/dbraw/zinc/55/02/21/362550221.db2.gz LBHVIIYYJPSLRV-UHFFFAOYSA-N -1 0 283.291 2.150 50 0 CEAARM C[C@H](CNC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000054310767 362527220 /nfs/dbraw/zinc/52/72/20/362527220.db2.gz VWELOJTVKKBWSW-SNVBAGLBSA-N -1 0 261.321 2.016 50 0 CEAARM Cc1nc([C@H](C)NC(=O)c2ccoc2)sc1C(=O)[O-] ZINC000097050129 185516234 /nfs/dbraw/zinc/51/62/34/185516234.db2.gz WMDZTMCKSVHMKR-ZETCQYMHSA-N -1 0 280.305 2.234 50 0 CEAARM COc1cccc(-c2cc(C)[n-]c(=N[N+](=O)[O-])n2)c1 ZINC000058159030 362609155 /nfs/dbraw/zinc/60/91/55/362609155.db2.gz SZQHJFMZBZZVMW-UHFFFAOYSA-N -1 0 260.253 2.064 50 0 CEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)o1 ZINC000062118507 362708858 /nfs/dbraw/zinc/70/88/58/362708858.db2.gz SGOQCPZJLMWBIK-DFYAXVKGSA-N -1 0 289.331 2.349 50 0 CEAARM Cn1cc(OCc2cccc(Cl)c2)c(=O)cc1C(=O)[O-] ZINC000062715958 362721155 /nfs/dbraw/zinc/72/11/55/362721155.db2.gz GOIPEXKSFSMTTA-UHFFFAOYSA-N -1 0 293.706 2.316 50 0 CEAARM CCn1c(C)cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000128500815 187374669 /nfs/dbraw/zinc/37/46/69/187374669.db2.gz JEIGRKFJJBWZDU-LBPRGKRZSA-N -1 0 278.352 2.062 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2CC(=O)[O-] ZINC000066351343 362862432 /nfs/dbraw/zinc/86/24/32/362862432.db2.gz DCRMSHLCTZMJHG-ZACCUICWSA-N -1 0 269.341 2.354 50 0 CEAARM Cc1cc([O-])c(-c2ccnc(N3CCCCC3)n2)c(=O)o1 ZINC000067612539 362913519 /nfs/dbraw/zinc/91/35/19/362913519.db2.gz 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/nfs/dbraw/zinc/28/99/59/361289959.db2.gz XULJWFOCUKVNHB-LLVKDONJSA-N -1 0 250.294 2.444 50 0 CEAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000003135737 361264417 /nfs/dbraw/zinc/26/44/17/361264417.db2.gz BWNQJNHIRLCZCZ-BDAKNGLRSA-N -1 0 284.109 2.108 50 0 CEAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2ccc(Cl)cc2C1=O ZINC000003204498 361268385 /nfs/dbraw/zinc/26/83/85/361268385.db2.gz BHZMCGOMNFZMSY-NSHDSACASA-N -1 0 295.722 2.435 50 0 CEAARM COc1ccc2oc(C(=O)CCC(=O)[O-])c(N)c2c1 ZINC000004125075 361301087 /nfs/dbraw/zinc/30/10/87/361301087.db2.gz PIJNRYNUEDQGSU-UHFFFAOYSA-N -1 0 263.249 2.071 50 0 CEAARM CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@@H](C(=O)NCc2cccnc2)C1 ZINC000004165093 361302660 /nfs/dbraw/zinc/30/26/60/361302660.db2.gz BWUMIDKCCNRFQN-FPMFFAJLSA-N -1 0 288.347 2.001 50 0 CEAARM Cc1sc2ncnc(N[C@@H](C)C(=O)[O-])c2c1C ZINC000004205761 361305340 /nfs/dbraw/zinc/30/53/40/361305340.db2.gz LNPUNNQQEDZGFY-LURJTMIESA-N -1 0 251.311 2.193 50 0 CEAARM C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000004201401 361305577 /nfs/dbraw/zinc/30/55/77/361305577.db2.gz QQJIFACDHUXBJZ-YFKPBYRVSA-N -1 0 262.092 2.196 50 0 CEAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(Br)cc1 ZINC000004287763 361309501 /nfs/dbraw/zinc/30/95/01/361309501.db2.gz FJFFHBYCFJNIAV-UHFFFAOYSA-N -1 0 296.124 2.096 50 0 CEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCCCC1 ZINC000004401526 361316292 /nfs/dbraw/zinc/31/62/92/361316292.db2.gz VRTYWVHTHDSHOH-IFWUJCSASA-N -1 0 265.353 2.136 50 0 CEAARM Cc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000004024556 361298078 /nfs/dbraw/zinc/29/80/78/361298078.db2.gz QNQHZFQVIYQPQT-UHFFFAOYSA-N -1 0 255.199 2.159 50 0 CEAARM COc1ccc(NC(=O)C[C@H](C)CC(=O)[O-])c(OC)c1 ZINC000004691268 361327185 /nfs/dbraw/zinc/32/71/85/361327185.db2.gz BHERIPJXRVBJOY-VIFPVBQESA-N -1 0 281.308 2.143 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(OC(F)F)c2)N1 ZINC000011766263 361364324 /nfs/dbraw/zinc/36/43/24/361364324.db2.gz MKELJKCVNKLGPM-DTWKUNHWSA-N -1 0 275.276 2.076 50 0 CEAARM Cc1cccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000013170754 361421994 /nfs/dbraw/zinc/42/19/94/361421994.db2.gz SZDMRXIUEIIMPJ-CYBMUJFWSA-N -1 0 291.347 2.005 50 0 CEAARM O=C([O-])C[C@H](NC(=O)C1CCC1)c1ccc(F)cc1 ZINC000013176231 361423798 /nfs/dbraw/zinc/42/37/98/361423798.db2.gz LCCWFBDBZTVQKZ-LBPRGKRZSA-N -1 0 265.284 2.258 50 0 CEAARM O=S(=O)([N-]c1cccnc1)c1cc(F)ccc1F ZINC000013323320 361425084 /nfs/dbraw/zinc/42/50/84/361425084.db2.gz COODKJUJQSNKLV-UHFFFAOYSA-N -1 0 270.260 2.161 50 0 CEAARM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)o1 ZINC000013433484 361427592 /nfs/dbraw/zinc/42/75/92/361427592.db2.gz GYBFRONEIUCQSC-CYBMUJFWSA-N -1 0 287.271 2.080 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)Cc2ccccc2F)cc1 ZINC000013092323 361418312 /nfs/dbraw/zinc/41/83/12/361418312.db2.gz FPGXOCMFSXSWGU-UHFFFAOYSA-N -1 0 287.290 2.383 50 0 CEAARM C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013091923 361418390 /nfs/dbraw/zinc/41/83/90/361418390.db2.gz CULYHJSRVBCZJB-LBPRGKRZSA-N -1 0 299.326 2.469 50 0 CEAARM Cc1nn2c(c1-c1ccc(C)cc1)NC(=O)[C@H](CC(=O)[O-])C2 ZINC000015081308 361465628 /nfs/dbraw/zinc/46/56/28/361465628.db2.gz RFYTUEOHUKLXAI-GFCCVEGCSA-N -1 0 299.330 2.210 50 0 CEAARM CCN(C(=O)c1ccncc1)c1ccccc1C(=O)[O-] ZINC000015922202 361479816 /nfs/dbraw/zinc/47/98/16/361479816.db2.gz MUUOIPQBJYOOHU-UHFFFAOYSA-N -1 0 270.288 2.447 50 0 CEAARM COc1cccc(Nc2nc(=O)c(C(C)(C)C)n[n-]2)c1 ZINC000016776986 361498605 /nfs/dbraw/zinc/49/86/05/361498605.db2.gz UAMXBJJMXMZBAK-UHFFFAOYSA-N -1 0 274.324 2.215 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000019385844 361529710 /nfs/dbraw/zinc/52/97/10/361529710.db2.gz XOXJFGFVNVEYQI-VIFPVBQESA-N -1 0 287.237 2.139 50 0 CEAARM O=c1[nH]c(=S)[nH]c([O-])c1Cc1ccccc1Cl ZINC000018161751 361515078 /nfs/dbraw/zinc/51/50/78/361515078.db2.gz MUCRNWJRNSFXIB-UHFFFAOYSA-N -1 0 268.725 2.382 50 0 CEAARM O=C([O-])c1cnc2ccc(Cl)cc2c1NCCCO ZINC000019793878 361555410 /nfs/dbraw/zinc/55/54/10/361555410.db2.gz MXGCJEUSISRPCN-UHFFFAOYSA-N -1 0 280.711 2.381 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000019416006 361533190 /nfs/dbraw/zinc/53/31/90/361533190.db2.gz COCYLEPQCUNFIG-LLVKDONJSA-N -1 0 279.292 2.274 50 0 CEAARM Cc1[n-]n(C)c(=O)c1CCOC(=O)Nc1cccc(C)c1 ZINC000026330444 361638810 /nfs/dbraw/zinc/63/88/10/361638810.db2.gz BUTXKNHXAJBSOJ-ZDUSSCGKSA-N -1 0 289.335 2.398 50 0 CEAARM Cc1cc(=NC(=O)[N-]C(=O)c2ccccc2)s[nH]1 ZINC000027757769 361658974 /nfs/dbraw/zinc/65/89/74/361658974.db2.gz NLJRPTCJJKPFOE-UHFFFAOYSA-N -1 0 261.306 2.413 50 0 CEAARM CCOc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1 ZINC000028227315 361669753 /nfs/dbraw/zinc/66/97/53/361669753.db2.gz SDQOAJGBMJRKGD-UHFFFAOYSA-N -1 0 299.377 2.046 50 0 CEAARM COc1ccc([C@@H](C)CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237172953 370697513 /nfs/dbraw/zinc/69/75/13/370697513.db2.gz GVLGPPPLWDRPBC-WCQYABFASA-N -1 0 291.347 2.122 50 0 CEAARM CCC[C@H](NC(=O)c1cc(C)c(F)cc1F)c1nnn[n-]1 ZINC000089949619 364022603 /nfs/dbraw/zinc/02/26/03/364022603.db2.gz 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/nfs/dbraw/zinc/75/98/66/370759866.db2.gz CHIBVVDYTQDZHD-STQMWFEESA-N -1 0 295.310 2.027 50 0 CEAARM Cc1ocnc1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000095450898 364384551 /nfs/dbraw/zinc/38/45/51/364384551.db2.gz QPMIRGCWALLWFA-UHFFFAOYSA-N -1 0 284.674 2.411 50 0 CEAARM COCCN(C)[C@H](C(=O)[O-])c1ccccc1SC ZINC000095368328 364347568 /nfs/dbraw/zinc/34/75/68/364347568.db2.gz VIZLIUVYKKVMDA-LBPRGKRZSA-N -1 0 269.366 2.112 50 0 CEAARM CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)[nH]n1 ZINC000097045114 364430888 /nfs/dbraw/zinc/43/08/88/364430888.db2.gz FHYDURKEMNJCTD-NSHDSACASA-N -1 0 293.367 2.250 50 0 CEAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)c1c(C)cccc1C ZINC000097231323 364482344 /nfs/dbraw/zinc/48/23/44/364482344.db2.gz KHFRDPVUVJUSEA-GFCCVEGCSA-N -1 0 263.337 2.486 50 0 CEAARM Cc1ocnc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000097231302 364482953 /nfs/dbraw/zinc/48/29/53/364482953.db2.gz YGNWMKUXWIUICO-JOYOIKCWSA-N -1 0 288.303 2.175 50 0 CEAARM C[C@H](C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1)n1cccn1 ZINC000098042566 364526875 /nfs/dbraw/zinc/52/68/75/364526875.db2.gz AGWJFAMBPPENEE-UIJKISKDSA-N -1 0 285.303 2.181 50 0 CEAARM CC(C)C[C@H](Nc1nc(Cl)ncc1F)C(=O)[O-] ZINC000098063990 364527815 /nfs/dbraw/zinc/52/78/15/364527815.db2.gz CPKGHGNLXJNISJ-ZETCQYMHSA-N -1 0 261.684 2.180 50 0 CEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC000097009462 304127716 /nfs/dbraw/zinc/12/77/16/304127716.db2.gz XGVHEWXQCHPBQD-NEPJUHHUSA-N -1 0 253.342 2.326 50 0 CEAARM C/C(=C\C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CC1 ZINC000583652264 367077993 /nfs/dbraw/zinc/07/79/93/367077993.db2.gz YEPSIRZFTWYYBN-LMMOQWNQSA-N -1 0 265.353 2.446 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCCC[C@H]1c1ccco1 ZINC000253369464 304138802 /nfs/dbraw/zinc/13/88/02/304138802.db2.gz CWGIZFCXZAPCGK-TUAOUCFPSA-N -1 0 277.320 2.444 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2ccnc3ccccc23)C1 ZINC000178261665 368294354 /nfs/dbraw/zinc/29/43/54/368294354.db2.gz XNAICVCXLATPQG-GFUIURDCSA-N -1 0 296.326 2.181 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CC=CC1 ZINC000222708168 304140678 /nfs/dbraw/zinc/14/06/78/304140678.db2.gz MUEDQXIRBCQJDZ-AVGNSLFASA-N -1 0 263.337 2.197 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000230176536 189806580 /nfs/dbraw/zinc/80/65/80/189806580.db2.gz IQVLHWFHSQSKIA-CWSCBRNRSA-N -1 0 295.285 2.253 50 0 CEAARM CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC000195541449 370138090 /nfs/dbraw/zinc/13/80/90/370138090.db2.gz KCLOAYATLXIAHB-CHWSQXEVSA-N -1 0 261.321 2.114 50 0 CEAARM CC(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])C(C)C)c1 ZINC000220432790 370233660 /nfs/dbraw/zinc/23/36/60/370233660.db2.gz WTDVKGALNFVNBJ-CYBMUJFWSA-N -1 0 277.320 2.118 50 0 CEAARM CC(C)CO[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000236641562 370601243 /nfs/dbraw/zinc/60/12/43/370601243.db2.gz KTOOGGQJVREPMC-AWEZNQCLSA-N -1 0 291.347 2.272 50 0 CEAARM CC(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)C(C)(C)C ZINC000252604101 371459721 /nfs/dbraw/zinc/45/97/21/371459721.db2.gz FWJVXZZMADFVRV-ZETCQYMHSA-N -1 0 271.342 2.311 50 0 CEAARM C[C@H](CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000262495101 371868571 /nfs/dbraw/zinc/86/85/71/371868571.db2.gz GXEKUJIJMKUIMO-MIMYLULJSA-N -1 0 281.739 2.280 50 0 CEAARM Cc1nnc(N=NC(C)[C@@H]2C[C@H]2c2ccccc2)[n-]c1=O ZINC000263630777 371944884 /nfs/dbraw/zinc/94/48/84/371944884.db2.gz WVBWOJWYWCXGNX-STQMWFEESA-N -1 0 283.335 2.477 50 0 CEAARM C/C(=C\C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000269211776 372380568 /nfs/dbraw/zinc/38/05/68/372380568.db2.gz WGXMTUXZLCZGRB-OFFHKIPUSA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NC1CCCCC1 ZINC000000301800 304175843 /nfs/dbraw/zinc/17/58/43/304175843.db2.gz MPPQLTASDYNLKZ-RYUDHWBXSA-N -1 0 251.326 2.102 50 0 CEAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000042696354 296208958 /nfs/dbraw/zinc/20/89/58/296208958.db2.gz RGRQFMUDPRIVLW-VHSXEESVSA-N -1 0 299.754 2.286 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000011890730 304186360 /nfs/dbraw/zinc/18/63/60/304186360.db2.gz URXUXNFNMXRTAJ-SNVBAGLBSA-N -1 0 298.136 2.138 50 0 CEAARM C[C@@H]1CC=C2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000251746053 296264253 /nfs/dbraw/zinc/26/42/53/296264253.db2.gz CZMRELCYGYQFCK-ICCXJUOJSA-N -1 0 285.299 2.086 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC000299742511 379125699 /nfs/dbraw/zinc/12/56/99/379125699.db2.gz JSTSDGUEDPBIHF-JFUSQASVSA-N -1 0 295.285 2.001 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CC1CCOCC1 ZINC000299752513 379126503 /nfs/dbraw/zinc/12/65/03/379126503.db2.gz UIXPSVIKHCKAFV-MJBXVCDLSA-N -1 0 295.379 2.047 50 0 CEAARM C[C@H](CN(C)C(=O)c1sccc1C1CC1)C(=O)[O-] ZINC000299749358 379127534 /nfs/dbraw/zinc/12/75/34/379127534.db2.gz KBQMWHHGSDBJPW-MRVPVSSYSA-N -1 0 267.350 2.418 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000299750378 379127770 /nfs/dbraw/zinc/12/77/70/379127770.db2.gz NHORRHGAGGURMW-GHMZBOCLSA-N -1 0 281.739 2.377 50 0 CEAARM O=C([O-])c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000012370569 304224098 /nfs/dbraw/zinc/22/40/98/304224098.db2.gz PRECFTDWCNEEDB-UHFFFAOYSA-N -1 0 275.226 2.240 50 0 CEAARM CCN(CC)C(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000249976 169587139 /nfs/dbraw/zinc/58/71/39/169587139.db2.gz FRNYPAJLMPCHQD-HZMBPMFUSA-N -1 0 255.358 2.382 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000000387429 169626425 /nfs/dbraw/zinc/62/64/25/169626425.db2.gz ZZOITYJHNASTDK-AWEZNQCLSA-N -1 0 286.331 2.176 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)s1 ZINC000238030165 304237276 /nfs/dbraw/zinc/23/72/76/304237276.db2.gz PCOCREDHDFXLNQ-BBBLOLIVSA-N -1 0 295.360 2.134 50 0 CEAARM C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000238900012 296337637 /nfs/dbraw/zinc/33/76/37/296337637.db2.gz HQGJKFJOZCPTLE-LPWJVIDDSA-N -1 0 265.353 2.348 50 0 CEAARM O=C([O-])c1ccc(C2=NNC(=O)[C@@H]3CCCC[C@@H]23)cc1 ZINC000020096045 304239983 /nfs/dbraw/zinc/23/99/83/304239983.db2.gz ITMBQAZZGQZBCN-VXGBXAGGSA-N -1 0 272.304 2.025 50 0 CEAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000040488308 285172754 /nfs/dbraw/zinc/17/27/54/285172754.db2.gz YRCZONGBUJPEGY-JOYOIKCWSA-N -1 0 267.712 2.334 50 0 CEAARM O=C([O-])c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000347283 304261127 /nfs/dbraw/zinc/26/11/27/304261127.db2.gz FGYKYCMETOWTHT-UHFFFAOYSA-N -1 0 267.240 2.185 50 0 CEAARM O=C([O-])c1csc([C@@H]2COc3ccccc3O2)n1 ZINC000000161307 304282410 /nfs/dbraw/zinc/28/24/10/304282410.db2.gz OTPNRLRDUARFBI-JTQLQIEISA-N -1 0 263.274 2.354 50 0 CEAARM C[C@@H]1CCC[C@H](C(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000095969461 296456682 /nfs/dbraw/zinc/45/66/82/296456682.db2.gz CZXOBTICRNFHHN-PWSUYJOCSA-N -1 0 253.342 2.136 50 0 CEAARM C[C@@H](CC(=O)NC(C)(C)C(=O)[O-])Cc1cccc(F)c1 ZINC000096494253 533424714 /nfs/dbraw/zinc/42/47/14/533424714.db2.gz JLJRUVDHFPZYDN-SNVBAGLBSA-N -1 0 281.327 2.374 50 0 CEAARM C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(C(=O)[O-])cc2)O1 ZINC000237555665 131041443 /nfs/dbraw/zinc/04/14/43/131041443.db2.gz JDIYDZSLIMEEIC-FZMZJTMJSA-N -1 0 291.347 2.349 50 0 CEAARM CCCn1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC000262860713 131269096 /nfs/dbraw/zinc/26/90/96/131269096.db2.gz DEQWLTSQGRWOEY-UHFFFAOYSA-N -1 0 287.319 2.173 50 0 CEAARM O=C([O-])C1(NC(=O)Cc2ccc(F)cc2Cl)CCC1 ZINC000263553954 131297968 /nfs/dbraw/zinc/29/79/68/131297968.db2.gz XXFFENRJCLXYTB-UHFFFAOYSA-N -1 0 285.702 2.145 50 0 CEAARM C[C@@H]1CCc2cc(F)ccc2N1C(=O)CCC(=O)[O-] ZINC000000214385 134522494 /nfs/dbraw/zinc/52/24/94/134522494.db2.gz GESDDMICWLUQDY-SECBINFHSA-N -1 0 265.284 2.358 50 0 CEAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(c2cc(N)ncn2)C1 ZINC000091474286 394656956 /nfs/dbraw/zinc/65/69/56/394656956.db2.gz JVUUBQBCVZZJNC-HNNXBMFYSA-N -1 0 290.367 2.086 50 0 CEAARM CC(C)=C[C@H]1[C@H](C(=O)NCCCC(=O)[O-])C1(C)C ZINC000095969600 394674535 /nfs/dbraw/zinc/67/45/35/394674535.db2.gz OZYDTGVOKGGSTN-CMPLNLGQSA-N -1 0 253.342 2.206 50 0 CEAARM O=C([O-])c1cnc(N2CCCC2)nc1COc1ccccc1 ZINC000096182427 394677213 /nfs/dbraw/zinc/67/72/13/394677213.db2.gz CAPHZWGXAVDRQB-UHFFFAOYSA-N -1 0 299.330 2.354 50 0 CEAARM C[C@@H]1C[N@H+](CCCC(=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000131463286 394911346 /nfs/dbraw/zinc/91/13/46/394911346.db2.gz SRMYTZUXUIUHSF-BXUZGUMPSA-N -1 0 281.327 2.452 50 0 CEAARM CCCn1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC000263017172 154006517 /nfs/dbraw/zinc/00/65/17/154006517.db2.gz XPDHPALYEWGDOW-ZDUSSCGKSA-N -1 0 293.367 2.153 50 0 CEAARM CC[C@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000263223736 154036986 /nfs/dbraw/zinc/03/69/86/154036986.db2.gz PPNHMSDSMJKRMU-OLZOCXBDSA-N -1 0 277.320 2.072 50 0 CEAARM Cc1cc([C@H](NC(=O)[C@@H]2CC23CC3)C(=O)[O-])ccc1F ZINC000263239026 154042348 /nfs/dbraw/zinc/04/23/48/154042348.db2.gz RJVQRZGXHLCROL-JQWIXIFHSA-N -1 0 277.295 2.176 50 0 CEAARM CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000019260960 286756299 /nfs/dbraw/zinc/75/62/99/286756299.db2.gz DYRWMRWIJLYVIT-ZWNOBZJWSA-N -1 0 261.321 2.071 50 0 CEAARM O=C([O-])C[C@H](NC(=O)COc1ccccc1)c1ccccc1 ZINC000001751740 169754740 /nfs/dbraw/zinc/75/47/40/169754740.db2.gz RFIPXCOGIOHDDS-HNNXBMFYSA-N -1 0 299.326 2.398 50 0 CEAARM CC[C@H](SCCC(F)=C(F)F)C(=O)NCC(=O)[O-] ZINC000002379975 169788249 /nfs/dbraw/zinc/78/82/49/169788249.db2.gz MRHOHAGITGCCDZ-ZETCQYMHSA-N -1 0 285.287 2.167 50 0 CEAARM C[C@@H]1C[C@H](C)CN(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000004690391 169999032 /nfs/dbraw/zinc/99/90/32/169999032.db2.gz YFPGTHTVKSONAV-PHIMTYICSA-N -1 0 255.358 2.382 50 0 CEAARM CC1(C)[C@H](C(=O)NCc2ccco2)CC[C@@]1(C)C(=O)[O-] ZINC000004964865 170046045 /nfs/dbraw/zinc/04/60/45/170046045.db2.gz YRYGJOFRZIYGQS-NHYWBVRUSA-N -1 0 279.336 2.423 50 0 CEAARM CN(c1ccccc1)c1nc(=O)c(C(C)(C)C)n[n-]1 ZINC000005154477 170071135 /nfs/dbraw/zinc/07/11/35/170071135.db2.gz KBVZPARIUQAOMG-UHFFFAOYSA-N -1 0 258.325 2.230 50 0 CEAARM Cc1ccc(Cc2nnc(N3CCCC3)[n-]c2=O)cc1 ZINC000005154630 170071202 /nfs/dbraw/zinc/07/12/02/170071202.db2.gz TZIBASXLJXPWAN-UHFFFAOYSA-N -1 0 270.336 2.077 50 0 CEAARM COc1cccc(-c2noc(CCCC(=O)[O-])n2)c1 ZINC000006674403 170225511 /nfs/dbraw/zinc/22/55/11/170225511.db2.gz XIEZHLBJOFYUQX-UHFFFAOYSA-N -1 0 262.265 2.153 50 0 CEAARM CS(=O)(=O)[N-]c1nnc(CCCc2ccccc2)s1 ZINC000006701367 170229322 /nfs/dbraw/zinc/22/93/22/170229322.db2.gz JZXLFGIUUYMUCK-UHFFFAOYSA-N -1 0 297.405 2.085 50 0 CEAARM CC1=C(C)C[C@@H](C(=O)NCc2ccncc2)[C@H](C(=O)[O-])C1 ZINC000006715415 170231545 /nfs/dbraw/zinc/23/15/45/170231545.db2.gz ROHOOFAPRLWWHG-ZIAGYGMSSA-N -1 0 288.347 2.145 50 0 CEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCc2cccnc2)C1 ZINC000006715788 170231841 /nfs/dbraw/zinc/23/18/41/170231841.db2.gz ILNZQCCMJDXYMO-KGLIPLIRSA-N -1 0 288.347 2.145 50 0 CEAARM COC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1F ZINC000006857803 170250184 /nfs/dbraw/zinc/25/01/84/170250184.db2.gz YMWLEVHHOHWDOW-VIFPVBQESA-N -1 0 293.216 2.108 50 0 CEAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000007052408 170264581 /nfs/dbraw/zinc/26/45/81/170264581.db2.gz DZYJCDGIXBIGLV-UHFFFAOYSA-N -1 0 294.332 2.295 50 0 CEAARM COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000008699149 170346183 /nfs/dbraw/zinc/34/61/83/170346183.db2.gz JRUKDUAEXGBAKC-NSHDSACASA-N -1 0 281.308 2.346 50 0 CEAARM CCCC[S@](=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000008855192 170357245 /nfs/dbraw/zinc/35/72/45/170357245.db2.gz HGZHGSQXLKZQKZ-GOSISDBHSA-N -1 0 265.334 2.141 50 0 CEAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccccc3N)n2)n1 ZINC000009009955 170361273 /nfs/dbraw/zinc/36/12/73/170361273.db2.gz NJEHAFNTHYZUDT-UHFFFAOYSA-N -1 0 281.323 2.204 50 0 CEAARM COc1ccc(-c2[nH]nc(C(=O)[O-])c2C)c(OC)c1 ZINC000009185630 170365455 /nfs/dbraw/zinc/36/54/55/170365455.db2.gz DSWOTBXGABMHHH-UHFFFAOYSA-N -1 0 262.265 2.101 50 0 CEAARM COc1ccccc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-] ZINC000009286769 170370163 /nfs/dbraw/zinc/37/01/63/170370163.db2.gz OXATXEXWROVPOY-YRNVUSSQSA-N -1 0 291.332 2.340 50 0 CEAARM O=C(c1cnc2c3cccnc3nn2c1)c1ccccc1[O-] ZINC000009458380 170377142 /nfs/dbraw/zinc/37/71/42/170377142.db2.gz AXXDJFKHPRPMIV-UHFFFAOYSA-N -1 0 290.282 2.214 50 0 CEAARM C[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1)c1ccco1 ZINC000013419270 170549266 /nfs/dbraw/zinc/54/92/66/170549266.db2.gz MYPABYALCKESAU-SNVBAGLBSA-N -1 0 289.287 2.234 50 0 CEAARM Cc1cc(C(=O)[O-])cc(C)c1OCCn1ccnc1 ZINC000020424644 171191387 /nfs/dbraw/zinc/19/13/87/171191387.db2.gz RTOWUIINSAXGIN-UHFFFAOYSA-N -1 0 260.293 2.277 50 0 CEAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000021927696 171337667 /nfs/dbraw/zinc/33/76/67/171337667.db2.gz BZYDAFHZAREVEX-UHFFFAOYSA-N -1 0 289.719 2.013 50 0 CEAARM Cc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000022159632 171363714 /nfs/dbraw/zinc/36/37/14/171363714.db2.gz HYVKFMOFCXJVPK-UHFFFAOYSA-N -1 0 294.332 2.131 50 0 CEAARM O=C([O-])Cc1csc(SCc2cccnc2)n1 ZINC000026423495 171483458 /nfs/dbraw/zinc/48/34/58/171483458.db2.gz VETTWUAXWBOKKJ-UHFFFAOYSA-N -1 0 266.347 2.458 50 0 CEAARM O=C([O-])[C@@H]1CCCN1Cc1coc(-c2ccccc2)n1 ZINC000035302439 172115983 /nfs/dbraw/zinc/11/59/83/172115983.db2.gz NQSBGWUJTBZHFZ-ZDUSSCGKSA-N -1 0 272.304 2.391 50 0 CEAARM Cc1c(NC(=O)CCC(=O)[O-])cccc1NC(=O)C1CC1 ZINC000036567511 172639848 /nfs/dbraw/zinc/63/98/48/172639848.db2.gz DSIXHUSEJKIAKO-UHFFFAOYSA-N -1 0 290.319 2.147 50 0 CEAARM O=C([O-])CCNC(=O)CSc1ccc(Cl)cc1 ZINC000037411887 173188481 /nfs/dbraw/zinc/18/84/81/173188481.db2.gz OKVPRJGCHUIMAJ-UHFFFAOYSA-N -1 0 273.741 2.023 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000037435026 173205594 /nfs/dbraw/zinc/20/55/94/173205594.db2.gz LGCIQBCAXMAQSM-GFCCVEGCSA-N -1 0 286.287 2.031 50 0 CEAARM CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037437103 173208150 /nfs/dbraw/zinc/20/81/50/173208150.db2.gz IAJRLYXXGAFXDD-GFCCVEGCSA-N -1 0 293.367 2.106 50 0 CEAARM O=c1[n-]c(CNc2ccccc2)nn1CCc1ccccc1 ZINC000040283742 174219329 /nfs/dbraw/zinc/21/93/29/174219329.db2.gz GTODBRKLOGCPSC-UHFFFAOYSA-N -1 0 294.358 2.426 50 0 CEAARM COC(=O)C(C)=C([O-])c1cccc(Br)c1 ZINC000043502341 175058947 /nfs/dbraw/zinc/05/89/47/175058947.db2.gz JUYOVOIEOBGHTH-SSDOTTSWSA-N -1 0 271.110 2.441 50 0 CEAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)C)cc1 ZINC000045922838 175387026 /nfs/dbraw/zinc/38/70/26/175387026.db2.gz LZUGNYFLNXJRIV-GXTWGEPZSA-N -1 0 277.320 2.078 50 0 CEAARM Cc1ccc(CCCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000062456331 175668280 /nfs/dbraw/zinc/66/82/80/175668280.db2.gz FCNRMXYWNIGFDU-CQSZACIVSA-N -1 0 275.348 2.393 50 0 CEAARM C[C@H](C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-])c1ccccc1 ZINC000659244632 415470536 /nfs/dbraw/zinc/47/05/36/415470536.db2.gz KLGBGMPJSUAHNS-MQFWEAQZSA-N -1 0 287.359 2.406 50 0 CEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc2[nH]ccc21 ZINC000071279844 176108391 /nfs/dbraw/zinc/10/83/91/176108391.db2.gz MKRFPASXOSWQIJ-VXGBXAGGSA-N -1 0 272.304 2.463 50 0 CEAARM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000019260963 287536264 /nfs/dbraw/zinc/53/62/64/287536264.db2.gz DYRWMRWIJLYVIT-GXFFZTMASA-N -1 0 261.321 2.071 50 0 CEAARM O=C([O-])c1ccc(=O)n(CC(=O)c2ccc(Cl)cc2)c1 ZINC000003133829 260010959 /nfs/dbraw/zinc/01/09/59/260010959.db2.gz RYIJATXQRCLKPL-UHFFFAOYSA-N -1 0 291.690 2.083 50 0 CEAARM CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000038328799 278417938 /nfs/dbraw/zinc/41/79/38/278417938.db2.gz OHIYKPXMNWXZQH-RQJHMYQMSA-N -1 0 283.246 2.259 50 0 CEAARM CC(C)(NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)[O-] ZINC000095956925 278630844 /nfs/dbraw/zinc/63/08/44/278630844.db2.gz CVRVOOIXWKYGAV-YUMQZZPRSA-N -1 0 281.274 2.335 50 0 CEAARM CC(C)(NC(=O)[C@H]1C[C@]12CCCc1ccccc12)C(=O)[O-] ZINC000097035421 278631117 /nfs/dbraw/zinc/63/11/17/278631117.db2.gz UVVAGENCVBOFPP-DYVFJYSZSA-N -1 0 287.359 2.260 50 0 CEAARM CC(C)C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000000546286 279186246 /nfs/dbraw/zinc/18/62/46/279186246.db2.gz DDYBXINYRTUYJT-TUAOUCFPSA-N -1 0 270.373 2.364 50 0 CEAARM CCOc1ccccc1/C=C\C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000208202146 280206234 /nfs/dbraw/zinc/20/62/34/280206234.db2.gz SCVBKTKYKFULER-ASCRHOAZSA-N -1 0 289.331 2.174 50 0 CEAARM CC1=C(C)C[C@H](C(=O)N2CCCC2)[C@@H](C(=O)[O-])C1 ZINC000005841703 281663290 /nfs/dbraw/zinc/66/32/90/281663290.db2.gz NPPQBVQIQGWANJ-RYUDHWBXSA-N -1 0 251.326 2.056 50 0 CEAARM CCc1ccc(-n2nnc(C(=O)[O-])c2C2CC2)cc1 ZINC000011730504 288527314 /nfs/dbraw/zinc/52/73/14/288527314.db2.gz FZBCHYOBWUFQOV-UHFFFAOYSA-N -1 0 257.293 2.405 50 0 CEAARM C[C@H](C(=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000071863581 298218400 /nfs/dbraw/zinc/21/84/00/298218400.db2.gz CWDDDCUAHKFSJQ-VHSXEESVSA-N -1 0 257.330 2.354 50 0 CEAARM C[C@]1(NC(=O)c2cc(F)cc(Cl)c2[O-])CCOC1 ZINC000095979675 300830446 /nfs/dbraw/zinc/83/04/46/300830446.db2.gz HIDARBIUANNZRV-LBPRGKRZSA-N -1 0 273.691 2.094 50 0 CEAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(C)s1 ZINC000037437476 301091634 /nfs/dbraw/zinc/09/16/34/301091634.db2.gz XQPOJQPJISOWPQ-NSHDSACASA-N -1 0 267.350 2.444 50 0 CEAARM Cc1cc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)[nH]1 ZINC000328596443 301171658 /nfs/dbraw/zinc/17/16/58/301171658.db2.gz QCGSZAGPAIJNRF-ZDUSSCGKSA-N -1 0 272.304 2.187 50 0 CEAARM Cc1cc(C)nc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000005926106 301264843 /nfs/dbraw/zinc/26/48/43/301264843.db2.gz OOQMWJMQKSZHSD-NWDGAFQWSA-N -1 0 274.320 2.304 50 0 CEAARM Cc1ccccc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000071731030 302077243 /nfs/dbraw/zinc/07/72/43/302077243.db2.gz KYMKBSPAUNQKGL-CYBMUJFWSA-N -1 0 291.347 2.091 50 0 CEAARM Cc1[n-]n2c(nc(=S)[nH]c2=O)c1-c1ccccc1 ZINC000026423277 302807235 /nfs/dbraw/zinc/80/72/35/302807235.db2.gz MKBGUZPROCDEKE-UHFFFAOYSA-N -1 0 258.306 2.468 50 0 CEAARM Cn1nc(-c2ccc(C(=O)[O-])cc2)c2ccccc2c1=O ZINC000000539551 303040364 /nfs/dbraw/zinc/04/03/64/303040364.db2.gz FRCBJJAKGODDOO-UHFFFAOYSA-N -1 0 280.283 2.299 50 0 CEAARM COc1ccc(-c2cnn(CC(=O)[O-])c2C)cc1F ZINC000534646483 328329528 /nfs/dbraw/zinc/32/95/28/328329528.db2.gz ZJHZAPXMHADNAA-UHFFFAOYSA-N -1 0 264.256 2.091 50 0 CEAARM CC(=O)N(CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000002532617 326797629 /nfs/dbraw/zinc/79/76/29/326797629.db2.gz RWSURPCVJWXUSL-UHFFFAOYSA-N -1 0 261.199 2.143 50 0 CEAARM CN(Cc1cc2ccccc2o1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268941822 330067085 /nfs/dbraw/zinc/06/70/85/330067085.db2.gz KPGWBRHMWZEDED-RYUDHWBXSA-N -1 0 273.288 2.112 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000097018045 527931806 /nfs/dbraw/zinc/93/18/06/527931806.db2.gz HLISLSHSWKNRBJ-QWHCGFSZSA-N -1 0 261.321 2.032 50 0 CEAARM C[C@@H](Cc1c[nH]c2ccccc12)N1C[C@@H](C(=O)[O-])CC1=O ZINC000022205799 623226571 /nfs/dbraw/zinc/22/65/71/623226571.db2.gz CJGATUKXSYNNRM-JQWIXIFHSA-N -1 0 286.331 2.032 50 0 CEAARM Cc1cc(=O)[nH]c(SCC(=O)c2ccc(F)cc2F)n1 ZINC000005044944 627383412 /nfs/dbraw/zinc/38/34/12/627383412.db2.gz SXJNOLHAFIEPPN-UHFFFAOYSA-N -1 0 296.298 2.332 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C1 ZINC000328590435 627892976 /nfs/dbraw/zinc/89/29/76/627892976.db2.gz RAJGDOSYNLTQPK-PSKZRQQASA-N -1 0 296.326 2.181 50 0 CEAARM CC(C)c1ccc(S(=O)(=O)[N-]c2cn(C)cn2)cc1 ZINC000888096481 628866365 /nfs/dbraw/zinc/86/63/65/628866365.db2.gz XLGHQQQJCOKRIC-UHFFFAOYSA-N -1 0 279.365 2.344 50 0 CEAARM CCCCNc1ncc(C(=O)[O-])c(-c2ccncc2)n1 ZINC000169751789 639633995 /nfs/dbraw/zinc/63/39/95/639633995.db2.gz BJMHELYWBXDJCO-UHFFFAOYSA-N -1 0 272.308 2.449 50 0 CEAARM C[C@@H](CN(C)C(=O)c1cccc(-c2cnco2)c1)C(=O)[O-] ZINC000863981700 646864468 /nfs/dbraw/zinc/86/44/68/646864468.db2.gz JHJLHHNKXULTEI-JTQLQIEISA-N -1 0 288.303 2.134 50 0 CEAARM O=C([O-])CCCNC(=S)Nc1ccc(Cl)cc1 ZINC000003134150 230367632 /nfs/dbraw/zinc/36/76/32/230367632.db2.gz VTXYUEMNHUBDJL-UHFFFAOYSA-N -1 0 272.757 2.491 50 0 CEAARM C[C@](NC(=O)CC1=CCCCC1)(C(=O)[O-])C1CC1 ZINC000095948889 185039171 /nfs/dbraw/zinc/03/91/71/185039171.db2.gz JJDBVWNKBHHYTE-CQSZACIVSA-N -1 0 251.326 2.246 50 0 CEAARM Cc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961758 185044546 /nfs/dbraw/zinc/04/45/46/185044546.db2.gz GRZUNWGMPNUVIB-GXSJLCMTSA-N -1 0 265.284 2.117 50 0 CEAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccccc1F ZINC000095970242 185048511 /nfs/dbraw/zinc/04/85/11/185048511.db2.gz CLDOSTISLHTOHQ-CYBMUJFWSA-N -1 0 253.273 2.199 50 0 CEAARM O=C([O-])c1ccn(-c2ccc(NC(=O)c3ccoc3)cc2)n1 ZINC000095970523 185048869 /nfs/dbraw/zinc/04/88/69/185048869.db2.gz NZVJZGCDFNJIJV-UHFFFAOYSA-N -1 0 297.270 2.416 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000095970540 185048960 /nfs/dbraw/zinc/04/89/60/185048960.db2.gz NBUZBKJTPXIAJK-MNOVXSKESA-N -1 0 283.274 2.001 50 0 CEAARM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)no1 ZINC000095994085 185059204 /nfs/dbraw/zinc/05/92/04/185059204.db2.gz MLADJJBOMUOFJS-UHFFFAOYSA-N -1 0 281.337 2.302 50 0 CEAARM CCO[N-]C(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000032848266 361760497 /nfs/dbraw/zinc/76/04/97/361760497.db2.gz COYQALDDJWBAKF-SECBINFHSA-N -1 0 257.717 2.483 50 0 CEAARM Cc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)[O-])cc1 ZINC000033527627 361782522 /nfs/dbraw/zinc/78/25/22/361782522.db2.gz LUKSUKIYLACRKX-ZROIWOOFSA-N -1 0 282.299 2.246 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)Cc2cc(F)ccc2F)o1 ZINC000097018881 185152469 /nfs/dbraw/zinc/15/24/69/185152469.db2.gz NIRIAYRHLPBVBG-UHFFFAOYSA-N -1 0 295.241 2.115 50 0 CEAARM Cc1oc(CN(C)C(=O)c2ccco2)cc1C(=O)[O-] ZINC000097018438 185153276 /nfs/dbraw/zinc/15/32/76/185153276.db2.gz RRMUVSMYFRXXOE-UHFFFAOYSA-N -1 0 263.249 2.151 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000097035504 185166479 /nfs/dbraw/zinc/16/64/79/185166479.db2.gz RSYLMEFOLBLVGM-QWRGUYRKSA-N -1 0 295.285 2.144 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000097035565 185166558 /nfs/dbraw/zinc/16/65/58/185166558.db2.gz WQBNUZGGFRNWRK-GHMZBOCLSA-N -1 0 281.377 2.483 50 0 CEAARM CCc1nc2sc(C)cc2c(N[C@@H](C)C(=O)[O-])n1 ZINC000041090713 362017754 /nfs/dbraw/zinc/01/77/54/362017754.db2.gz AATBZMKBAUYSRW-ZETCQYMHSA-N -1 0 265.338 2.447 50 0 CEAARM COc1ccc(/C=C(\C#N)C(=O)[O-])c(OC(C)C)c1 ZINC000096298437 539297959 /nfs/dbraw/zinc/29/79/59/539297959.db2.gz 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/nfs/dbraw/zinc/53/12/13/344531213.db2.gz BRTQYBNBVWOTIO-YXVBKTCISA-N -1 0 259.305 2.023 50 0 CEAARM O=C([O-])Cc1cc(C(F)(F)F)cnc1Br ZINC000238679687 344607682 /nfs/dbraw/zinc/60/76/82/344607682.db2.gz AHWLCGOEPWSIOW-UHFFFAOYSA-N -1 0 284.031 2.490 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccco1 ZINC000314085150 344744428 /nfs/dbraw/zinc/74/44/28/344744428.db2.gz GBLVTAJATLYBSS-ZPIQOJFGSA-N -1 0 297.310 2.331 50 0 CEAARM CCCCN(C)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055309348 362546920 /nfs/dbraw/zinc/54/69/20/362546920.db2.gz IZCNGENIHHTDQG-UHFFFAOYSA-N -1 0 264.325 2.055 50 0 CEAARM CC(=O)N[C@@H](Cc1c(C)c(C)c(C)c(C)c1C)C(=O)[O-] ZINC000059817890 362652381 /nfs/dbraw/zinc/65/23/81/362652381.db2.gz YXLCPCHPOIUGJD-HNNXBMFYSA-N -1 0 277.364 2.361 50 0 CEAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000084592736 539514600 /nfs/dbraw/zinc/51/46/00/539514600.db2.gz CHOZJDBEIJIFMS-MNOVXSKESA-N -1 0 253.342 2.326 50 0 CEAARM CCOCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000084801117 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280.374 2.410 50 0 CEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C1CCCCC1 ZINC000071729651 304052294 /nfs/dbraw/zinc/05/22/94/304052294.db2.gz FGFXQIDKASHVIA-CYBMUJFWSA-N -1 0 283.368 2.049 50 0 CEAARM Cc1ncc([N-]S(=O)(=O)c2cn(C(C)C)cn2)s1 ZINC000338222158 366241700 /nfs/dbraw/zinc/24/17/00/366241700.db2.gz USRFGVTXNVPMOT-UHFFFAOYSA-N -1 0 286.382 2.030 50 0 CEAARM COc1ccc(Cl)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC000076310801 363536437 /nfs/dbraw/zinc/53/64/37/363536437.db2.gz TVFXZWCZAZAVGP-LURJTMIESA-N -1 0 257.673 2.008 50 0 CEAARM Cc1oncc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000329035157 202163021 /nfs/dbraw/zinc/16/30/21/202163021.db2.gz YKCSQMFUSFPXCV-UHFFFAOYSA-N -1 0 299.352 2.210 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CC[C@H]1CCCO1 ZINC000050921787 304061986 /nfs/dbraw/zinc/06/19/86/304061986.db2.gz WMQVSPREUBTDHY-CHWSQXEVSA-N -1 0 283.368 2.192 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)C1CC1 ZINC000238081880 304065513 /nfs/dbraw/zinc/06/55/13/304065513.db2.gz 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361123934 /nfs/dbraw/zinc/12/39/34/361123934.db2.gz DRPDOORITXZZMV-UONOGXRCSA-N -1 0 288.347 2.145 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000000428611 361173431 /nfs/dbraw/zinc/17/34/31/361173431.db2.gz FYHSOVZRGGBALS-UHFFFAOYSA-N -1 0 279.365 2.444 50 0 CEAARM C[C@@H](NC(=O)/C=C/C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004611452 296031791 /nfs/dbraw/zinc/03/17/91/296031791.db2.gz QKFUEKJCUKCAMS-LDDFSVKISA-N -1 0 277.364 2.348 50 0 CEAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000001081344 361198330 /nfs/dbraw/zinc/19/83/30/361198330.db2.gz YOMACQVTIAGKNW-UHFFFAOYSA-N -1 0 277.320 2.133 50 0 CEAARM C[C@@H](NC(=O)/C=C\C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000033375185 296032093 /nfs/dbraw/zinc/03/20/93/296032093.db2.gz QKFUEKJCUKCAMS-LVVMDFRTSA-N -1 0 277.364 2.348 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000001848461 361224104 /nfs/dbraw/zinc/22/41/04/361224104.db2.gz BPLSJCLWJLIHTI-UHFFFAOYSA-N -1 0 277.301 2.186 50 0 CEAARM CSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002545154 361239745 /nfs/dbraw/zinc/23/97/45/361239745.db2.gz IGIYFJZICSMVOX-SSDOTTSWSA-N -1 0 263.359 2.106 50 0 CEAARM Cc1sc2ncnc(N[C@H](C)C(=O)[O-])c2c1C ZINC000004205764 361305090 /nfs/dbraw/zinc/30/50/90/361305090.db2.gz LNPUNNQQEDZGFY-ZCFIWIBFSA-N -1 0 251.311 2.193 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000011891360 361368609 /nfs/dbraw/zinc/36/86/09/361368609.db2.gz PHDNILWWXMSYTD-NSHDSACASA-N -1 0 281.739 2.206 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(Br)c1 ZINC000011890719 361367434 /nfs/dbraw/zinc/36/74/34/361367434.db2.gz LZPUZYKWOPCTGP-JTQLQIEISA-N -1 0 298.136 2.138 50 0 CEAARM Cc1noc(CSc2ccc(C(=O)[O-])cc2)n1 ZINC000012505433 361386541 /nfs/dbraw/zinc/38/65/41/361386541.db2.gz SSBNRJMZYYGHKI-UHFFFAOYSA-N -1 0 250.279 2.369 50 0 CEAARM O=C(NC1CC1)c1cc2n[n-]c(=S)n2c2ccccc12 ZINC000012505986 361386850 /nfs/dbraw/zinc/38/68/50/361386850.db2.gz DYWUTRGIZUEQQY-UHFFFAOYSA-N -1 0 284.344 2.063 50 0 CEAARM 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Cc1noc(C)c1[C@@H](C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000190484192 369628147 /nfs/dbraw/zinc/62/81/47/369628147.db2.gz HKWYOZPAKUPXQK-JOYOIKCWSA-N -1 0 294.351 2.108 50 0 CEAARM CCC[C@@H](NC(=O)CCc1ccsc1)C(=O)[O-] ZINC000195551837 370140753 /nfs/dbraw/zinc/14/07/53/370140753.db2.gz MRSSTKVLEBQFQS-SNVBAGLBSA-N -1 0 255.339 2.050 50 0 CEAARM C/C(=C\C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])C1CC1 ZINC000221725854 370244411 /nfs/dbraw/zinc/24/44/11/370244411.db2.gz ZTGSUAARKIWZEO-RZXPCSSPSA-N -1 0 287.359 2.402 50 0 CEAARM C/C(=C\C(=O)NC1(C(=O)[O-])Cc2ccccc2C1)C1CC1 ZINC000221723975 370244677 /nfs/dbraw/zinc/24/46/77/370244677.db2.gz MJJRAWNWCSJBPS-DHZHZOJOSA-N -1 0 285.343 2.081 50 0 CEAARM COCCCn1ccc(NC(=O)c2c([O-])cccc2F)n1 ZINC000225398802 370293053 /nfs/dbraw/zinc/29/30/53/370293053.db2.gz KGTIJBROTSQUNC-UHFFFAOYSA-N -1 0 293.298 2.017 50 0 CEAARM CC(C)c1ccsc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236811746 370633226 /nfs/dbraw/zinc/63/32/26/370633226.db2.gz SMLJOLUKGCWYPR-SNVBAGLBSA-N -1 0 297.376 2.187 50 0 CEAARM CCn1cc(C(C)=NNc2ccc(C(=O)[O-])cc2)cn1 ZINC000252474790 371440418 /nfs/dbraw/zinc/44/04/18/371440418.db2.gz MJUOCMZXXIGGNO-UHFFFAOYSA-N -1 0 272.308 2.437 50 0 CEAARM CCCCOc1ccc(C=NOCC(=O)[O-])cc1OC ZINC000254512948 371537076 /nfs/dbraw/zinc/53/70/76/371537076.db2.gz DZBALDYQKUGVLB-UHFFFAOYSA-N -1 0 281.308 2.309 50 0 CEAARM Cn1ccsc1=NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000255296652 371572584 /nfs/dbraw/zinc/57/25/84/371572584.db2.gz NEYNKNLTRMNGSY-UHFFFAOYSA-N -1 0 291.357 2.258 50 0 CEAARM O=C([O-])C1(CC(=O)N2Cc3ccccc3C2)CCC1 ZINC000261612394 371676805 /nfs/dbraw/zinc/67/68/05/371676805.db2.gz SPJLXDZBWANZNI-UHFFFAOYSA-N -1 0 259.305 2.174 50 0 CEAARM Cc1nc(C2CCCC2)sc1C(=O)N(C)CC(=O)[O-] ZINC000237179863 189867422 /nfs/dbraw/zinc/86/74/22/189867422.db2.gz KYCUJXJTJRRSMR-UHFFFAOYSA-N -1 0 282.365 2.266 50 0 CEAARM C[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)C(=O)[O-] ZINC000262939185 371924633 /nfs/dbraw/zinc/92/46/33/371924633.db2.gz CCMCSZASYOKALS-JTQLQIEISA-N -1 0 259.305 2.097 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000263114352 371929150 /nfs/dbraw/zinc/92/91/50/371929150.db2.gz BXDPUVZBYGWYRZ-IHRRRGAJSA-N -1 0 291.322 2.395 50 0 CEAARM O=C([O-])C1CCN(C(=O)C2(c3cccc(F)c3)CC2)CC1 ZINC000238021065 189897192 /nfs/dbraw/zinc/89/71/92/189897192.db2.gz YGJRUDMAKGYOQT-UHFFFAOYSA-N -1 0 291.322 2.181 50 0 CEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C1CC1 ZINC000238080961 189899031 /nfs/dbraw/zinc/89/90/31/189899031.db2.gz WNMXATUDHCZDTA-PWSUYJOCSA-N -1 0 295.285 2.144 50 0 CEAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)c1ccoc1 ZINC000094744031 304176527 /nfs/dbraw/zinc/17/65/27/304176527.db2.gz UZOBMAYDHZWTRW-QWRGUYRKSA-N -1 0 251.282 2.043 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 ZINC000019265475 304178242 /nfs/dbraw/zinc/17/82/42/304178242.db2.gz QGKPJYPWOPTHCG-LLVKDONJSA-N -1 0 269.247 2.044 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000089381773 304181610 /nfs/dbraw/zinc/18/16/10/304181610.db2.gz 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ZINC000047843690 304219687 /nfs/dbraw/zinc/21/96/87/304219687.db2.gz ZJVOHYGGXLWORY-UHFFFAOYSA-N -1 0 255.233 2.029 50 0 CEAARM O=C([O-])c1cc(=O)c2cccc(C(F)(F)F)c2[nH]1 ZINC000097757475 304220517 /nfs/dbraw/zinc/22/05/17/304220517.db2.gz DUZBCEGPWLRMQU-UHFFFAOYSA-N -1 0 257.167 2.245 50 0 CEAARM O=C([O-])C(NC(=O)c1ccccc1)=C(Cl)Cl ZINC000000129907 169546806 /nfs/dbraw/zinc/54/68/06/169546806.db2.gz NXZZZPFIONENKC-UHFFFAOYSA-N -1 0 260.076 2.148 50 0 CEAARM O=C([O-])/C=C/S(=O)(=O)c1ccc2ccccc2c1 ZINC000000302389 169602538 /nfs/dbraw/zinc/60/25/38/169602538.db2.gz IFJBGINNLKYBBQ-BQYQJAHWSA-N -1 0 262.286 2.212 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCC2)o1 ZINC000237979163 304234108 /nfs/dbraw/zinc/23/41/08/304234108.db2.gz RQSWYXBTYGIXAN-JTQLQIEISA-N -1 0 263.293 2.383 50 0 CEAARM COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000398293 169630407 /nfs/dbraw/zinc/63/04/07/169630407.db2.gz JIEKCPDPDLXHEE-OLZOCXBDSA-N -1 0 275.304 2.301 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000000399426 169630896 /nfs/dbraw/zinc/63/08/96/169630896.db2.gz LXSODSXUTNRYPE-VXGBXAGGSA-N -1 0 263.293 2.222 50 0 CEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)s1 ZINC000271942969 304237270 /nfs/dbraw/zinc/23/72/70/304237270.db2.gz PCOCREDHDFXLNQ-AEJSXWLSSA-N -1 0 295.360 2.134 50 0 CEAARM CC[C@@H](C)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)[O-] ZINC000004088976 184531143 /nfs/dbraw/zinc/53/11/43/184531143.db2.gz GEKSEHFBMPYXLS-NOZJJQNGSA-N -1 0 274.320 2.397 50 0 CEAARM O=C([O-])c1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018161614 304241013 /nfs/dbraw/zinc/24/10/13/304241013.db2.gz AGTDLCOKMFFNLP-BETUJISGSA-N -1 0 287.315 2.060 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)N2CCC23CCC3)cc1 ZINC000263332296 304242768 /nfs/dbraw/zinc/24/27/68/304242768.db2.gz CNLVDRQHQZEVOK-UHFFFAOYSA-N -1 0 274.320 2.223 50 0 CEAARM O=C([O-])c1cccc(-n2cnc3ccccc3c2=O)c1 ZINC000005610574 304255397 /nfs/dbraw/zinc/25/53/97/304255397.db2.gz VWSVPLVTQLYFDI-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM O=C([O-])c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000013549248 304261044 /nfs/dbraw/zinc/26/10/44/304261044.db2.gz LKPNVCVNNUIDPE-RYUDHWBXSA-N -1 0 273.288 2.064 50 0 CEAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000002708020 304270329 /nfs/dbraw/zinc/27/03/29/304270329.db2.gz SLZCSXIGWLYTGG-AWEZNQCLSA-N -1 0 299.282 2.163 50 0 CEAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000019263334 304270239 /nfs/dbraw/zinc/27/02/39/304270239.db2.gz WYWDEILLKCOCRV-AWEZNQCLSA-N -1 0 283.283 2.327 50 0 CEAARM COc1ccc(/C=C\C(=O)N(CC(=O)[O-])C(C)C)cc1F ZINC000096179265 256770367 /nfs/dbraw/zinc/77/03/67/256770367.db2.gz BHKDKXXXLRBOMS-ALCCZGGFSA-N -1 0 295.310 2.169 50 0 CEAARM O=C([O-])c1cncc(-c2cnc3ccccc3c2)n1 ZINC000215165175 304279597 /nfs/dbraw/zinc/27/95/97/304279597.db2.gz IFNFFECZPYKCSV-UHFFFAOYSA-N -1 0 251.245 2.390 50 0 CEAARM O=C([O-])c1cnn(-c2ccc(Br)cc2)c1 ZINC000019486225 304279852 /nfs/dbraw/zinc/27/98/52/304279852.db2.gz GOJGAUFDFLULIK-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM O=C([O-])c1ncc(Br)cc1Br ZINC000014982605 304283915 /nfs/dbraw/zinc/28/39/15/304283915.db2.gz BXFONYCBYSYAJE-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM Cc1c2ccccc2oc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262413248 131219217 /nfs/dbraw/zinc/21/92/17/131219217.db2.gz ONSJCLBNKVTZFG-GHMZBOCLSA-N -1 0 273.288 2.078 50 0 CEAARM C[C@H](NC(=O)C1CC=CC1)c1ccc(OCC(=O)[O-])cc1 ZINC000263072084 131281406 /nfs/dbraw/zinc/28/14/06/131281406.db2.gz PFDSQNWOVDHLAD-NSHDSACASA-N -1 0 289.331 2.293 50 0 CEAARM CC(C)C[C@@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000006159707 394459542 /nfs/dbraw/zinc/45/95/42/394459542.db2.gz PIFSZNCRIBFFQX-LLVKDONJSA-N -1 0 256.346 2.118 50 0 CEAARM CCOC(=O)c1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000013858328 394465507 /nfs/dbraw/zinc/46/55/07/394465507.db2.gz GWSLJFLKRMSCQG-SSDOTTSWSA-N -1 0 292.360 2.286 50 0 CEAARM COc1cc(C(=O)[O-])ccc1N1C=CC(C)(C)NC1=S ZINC000034926697 394493842 /nfs/dbraw/zinc/49/38/42/394493842.db2.gz WMHJICWUDGJQIH-UHFFFAOYSA-N -1 0 292.360 2.380 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1cscn1 ZINC000061449229 394568215 /nfs/dbraw/zinc/56/82/15/394568215.db2.gz NJZKXTLGHVEDLK-ZDUSSCGKSA-N -1 0 274.345 2.155 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)C1CCCC1 ZINC000096402452 394680882 /nfs/dbraw/zinc/68/08/82/394680882.db2.gz DARXCPNGXLCBJS-UHFFFAOYSA-N -1 0 261.321 2.290 50 0 CEAARM O=C([O-])Cn1cc(NC(=O)C[C@@H]2CCc3ccccc32)cn1 ZINC000647744613 395752083 /nfs/dbraw/zinc/75/20/83/395752083.db2.gz HBRQVNHJTHEKOZ-LBPRGKRZSA-N -1 0 299.330 2.026 50 0 CEAARM C[C@@H](Cc1cccc(Cl)c1)C(=O)NCCC(=O)[O-] ZINC000263272074 154046240 /nfs/dbraw/zinc/04/62/40/154046240.db2.gz PICRAIRWYXMLGL-VIFPVBQESA-N -1 0 269.728 2.110 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)c1nccc2ccccc21)C1CC1 ZINC000263280818 154047791 /nfs/dbraw/zinc/04/77/91/154047791.db2.gz RZZZZPGITHIXIR-SNVBAGLBSA-N -1 0 284.315 2.313 50 0 CEAARM CC[C@@H](OC)C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 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CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCSC1 ZINC000070435936 539174135 /nfs/dbraw/zinc/17/41/35/539174135.db2.gz GICUSIREHHGPIZ-LBPRGKRZSA-N -1 0 279.361 2.096 50 0 CEAARM Cc1ccc(N)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000022205190 343379519 /nfs/dbraw/zinc/37/95/19/343379519.db2.gz RHPVVHLQCVXXEB-UHFFFAOYSA-N -1 0 296.282 2.076 50 0 CEAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)cc(C2CC2)n1 ZINC000127500253 365750986 /nfs/dbraw/zinc/75/09/86/365750986.db2.gz KINVLOPLDRKWAE-UHFFFAOYSA-N -1 0 289.360 2.463 50 0 CEAARM CN1CC[C@@H]([N-]c2nc(-c3ccc(Cl)cc3)no2)C1=O ZINC000096452672 529796102 /nfs/dbraw/zinc/79/61/02/529796102.db2.gz CQJYZAUELFPMJH-SNVBAGLBSA-N -1 0 292.726 2.033 50 0 CEAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccsc1 ZINC000076059519 343878750 /nfs/dbraw/zinc/87/87/50/343878750.db2.gz CLVNSJHIOKEXEM-UHFFFAOYSA-N -1 0 291.785 2.244 50 0 CEAARM O=C([O-])CCc1cc2c(cc1Br)OCO2 ZINC000048524343 362282837 /nfs/dbraw/zinc/28/28/37/362282837.db2.gz URIRSTDHDAEDNP-UHFFFAOYSA-N -1 0 273.082 2.195 50 0 CEAARM CC(=O)c1cccc(OCc2cc(C(=O)[O-])no2)c1 ZINC000048804801 362304888 /nfs/dbraw/zinc/30/48/88/362304888.db2.gz IKUJGPJFLBFNCF-UHFFFAOYSA-N -1 0 261.233 2.154 50 0 CEAARM CCC(=O)C1=C([O-])[C@@H](c2cc(C)no2)C(C)(C)CC1=O ZINC000102785149 344251629 /nfs/dbraw/zinc/25/16/29/344251629.db2.gz YNZPZAVFSMVKPA-CHWSQXEVSA-N -1 0 277.320 2.230 50 0 CEAARM O=C([O-])c1cn(-c2ccc(OC(F)(F)F)cc2)cn1 ZINC000146506298 344410535 /nfs/dbraw/zinc/41/05/35/344410535.db2.gz IYJXYVHMRWVLDS-UHFFFAOYSA-N -1 0 272.182 2.469 50 0 CEAARM CC(C)=C(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000192415501 344517241 /nfs/dbraw/zinc/51/72/41/344517241.db2.gz ALAIOOBPBFJEJP-NSHDSACASA-N -1 0 265.284 2.062 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000050921101 362423693 /nfs/dbraw/zinc/42/36/93/362423693.db2.gz JXNBJQRIAHOFCA-JTQLQIEISA-N -1 0 251.282 2.139 50 0 CEAARM Cc1ccc(F)c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000052980783 362477336 /nfs/dbraw/zinc/47/73/36/362477336.db2.gz LJRJRYDILVQQSQ-LBPRGKRZSA-N -1 0 265.284 2.213 50 0 CEAARM O=C([O-])c1nc(C(F)(F)F)ccc1OC(F)F ZINC000514268058 344924795 /nfs/dbraw/zinc/92/47/95/344924795.db2.gz DNJDVYVPWZAVLG-UHFFFAOYSA-N -1 0 257.114 2.400 50 0 CEAARM O=C([O-])[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000536948689 344932886 /nfs/dbraw/zinc/93/28/86/344932886.db2.gz GPDGZULMFPEJED-FKTZTGRPSA-N -1 0 253.095 2.419 50 0 CEAARM CC(C)c1ncc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000585134346 345006527 /nfs/dbraw/zinc/00/65/27/345006527.db2.gz OWIFWGOQWWWLGJ-ZJUUUORDSA-N -1 0 277.324 2.039 50 0 CEAARM CC(C)c1ccc2nc(-c3cnn(C)c3)[nH]c(=O)c2c1 ZINC000057771726 362595252 /nfs/dbraw/zinc/59/52/52/362595252.db2.gz PBXTZAXHOSQNKI-UHFFFAOYSA-N -1 0 268.320 2.447 50 0 CEAARM O=C([O-])C1(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000203648272 539491025 /nfs/dbraw/zinc/49/10/25/539491025.db2.gz AVPBSHPDTDPQJY-UHFFFAOYSA-N -1 0 274.103 2.340 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cscn1 ZINC000062354210 362718387 /nfs/dbraw/zinc/71/83/87/362718387.db2.gz YDROTQZJQOQSBI-VIFPVBQESA-N -1 0 268.338 2.003 50 0 CEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cccs2)C1 ZINC000062869462 362728451 /nfs/dbraw/zinc/72/84/51/362728451.db2.gz UBNFVWFRNYEPOA-CQSZACIVSA-N -1 0 281.377 2.394 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000062912864 362732643 /nfs/dbraw/zinc/73/26/43/362732643.db2.gz PVHTZUOXJDYNBQ-CQSZACIVSA-N -1 0 263.293 2.120 50 0 CEAARM Cc1cc(C)cc(NC(=O)/N=c2\[n-]nc3ccccn32)c1 ZINC000065314547 362809278 /nfs/dbraw/zinc/80/92/78/362809278.db2.gz LCHKJQMAGNSUSZ-UHFFFAOYSA-N -1 0 281.319 2.412 50 0 CEAARM CC(=O)Cn1nc(C)c(-c2cccc(C(=O)[O-])c2)c1C ZINC000067641457 362914852 /nfs/dbraw/zinc/91/48/52/362914852.db2.gz HZCNNQKNRHSERS-UHFFFAOYSA-N -1 0 272.304 2.454 50 0 CEAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000108655217 186225775 /nfs/dbraw/zinc/22/57/75/186225775.db2.gz ZYSHSHLHNPKOMK-KGLIPLIRSA-N -1 0 287.359 2.462 50 0 CEAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000108655169 186225794 /nfs/dbraw/zinc/22/57/94/186225794.db2.gz VYVXNHMOAXGOQR-OLZOCXBDSA-N -1 0 273.332 2.467 50 0 CEAARM Cc1cc(C(=O)Nc2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000070378646 363075572 /nfs/dbraw/zinc/07/55/72/363075572.db2.gz YEPIBVMHFINRLV-QPJJXVBHSA-N -1 0 271.276 2.068 50 0 CEAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000122923428 187059705 /nfs/dbraw/zinc/05/97/05/187059705.db2.gz KKOHOGSYWYFVEC-RYUDHWBXSA-N -1 0 291.351 2.123 50 0 CEAARM COC(=O)C1=C([O-])c2cc(Cl)ccc2SC1 ZINC000071772413 363112981 /nfs/dbraw/zinc/11/29/81/363112981.db2.gz CKFZKUGJRWLILP-MRVPVSSYSA-N -1 0 256.710 2.418 50 0 CEAARM Cc1cc2occ(CC(=O)NCCC(=O)[O-])c2cc1C ZINC000072427677 363134670 /nfs/dbraw/zinc/13/46/70/363134670.db2.gz OFNQRQMTGSQHPR-UHFFFAOYSA-N -1 0 275.304 2.183 50 0 CEAARM CCC(CC)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000072542555 363142964 /nfs/dbraw/zinc/14/29/64/363142964.db2.gz FNLNYNAVMOFKLX-UHFFFAOYSA-N -1 0 263.309 2.432 50 0 CEAARM C[C@H](OC1CCCCC1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000072572367 363145713 /nfs/dbraw/zinc/14/57/13/363145713.db2.gz NIXCFMJNTPHFCX-AAEUAGOBSA-N -1 0 271.357 2.299 50 0 CEAARM O=C([O-])C1(C(=O)N2CCc3ccc(Cl)cc32)CC1 ZINC000154958301 304027872 /nfs/dbraw/zinc/02/78/72/304027872.db2.gz MSPWKZPMRKNTTA-UHFFFAOYSA-N -1 0 265.696 2.094 50 0 CEAARM CCc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-] ZINC000152915395 188052434 /nfs/dbraw/zinc/05/24/34/188052434.db2.gz SVWNOSSSXUFZGS-UHFFFAOYSA-N -1 0 297.376 2.168 50 0 CEAARM CCCc1ncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000236940751 370662093 /nfs/dbraw/zinc/66/20/93/370662093.db2.gz GMNWAIZHKNCPON-ZDUSSCGKSA-N -1 0 282.365 2.032 50 0 CEAARM O=S(=O)([N-]c1ccc2[nH]cnc2c1)c1cccs1 ZINC000074819976 363398509 /nfs/dbraw/zinc/39/85/09/363398509.db2.gz ZHSHTPXQEOTRGQ-UHFFFAOYSA-N -1 0 279.346 2.425 50 0 CEAARM C[C@H](Cc1ncc[nH]1)OCc1ccc(C(=O)[O-])cc1 ZINC000570333208 299254064 /nfs/dbraw/zinc/25/40/64/299254064.db2.gz YXQVDMMPNBYEDK-SNVBAGLBSA-N -1 0 260.293 2.256 50 0 CEAARM COC(=O)c1c([O-])c2ccccc2n(CC(C)C)c1=O ZINC000670419457 540399815 /nfs/dbraw/zinc/39/98/15/540399815.db2.gz JPXOUDLBMRTKGG-UHFFFAOYSA-N -1 0 275.304 2.150 50 0 CEAARM Cc1c[nH]cc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262242257 540401501 /nfs/dbraw/zinc/40/15/01/540401501.db2.gz QMTNTWNZCBXGQA-NSHDSACASA-N -1 0 264.325 2.183 50 0 CEAARM COC(=O)c1ccc(/C=C\c2ncc(C(=O)[O-])s2)o1 ZINC000338617388 366441729 /nfs/dbraw/zinc/44/17/29/366441729.db2.gz JQCWYIVDTVZMGY-HYXAFXHYSA-N -1 0 279.273 2.391 50 0 CEAARM CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000236951605 370664643 /nfs/dbraw/zinc/66/46/43/370664643.db2.gz QPJDOYNGWVEDGU-WDEREUQCSA-N -1 0 283.274 2.001 50 0 CEAARM O=C([O-])Cc1ccc(I)c(F)c1 ZINC000082237865 304088853 /nfs/dbraw/zinc/08/88/53/304088853.db2.gz CMRUORQQYMIYDF-UHFFFAOYSA-N -1 0 280.036 2.057 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000299742103 200853946 /nfs/dbraw/zinc/85/39/46/200853946.db2.gz GWNBFWSDPIEIDX-ZENOOKHLSA-N -1 0 291.322 2.252 50 0 CEAARM COc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000102315 361129491 /nfs/dbraw/zinc/12/94/91/361129491.db2.gz QQZJHODRVHVSLV-UHFFFAOYSA-N -1 0 263.318 2.496 50 0 CEAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Br)cc2)N1 ZINC000000170030 361139135 /nfs/dbraw/zinc/13/91/35/361139135.db2.gz TYLJHTCYCWHWRG-DTWKUNHWSA-N -1 0 288.166 2.237 50 0 CEAARM O=C([O-])c1ccccc1SC[C@@H](O)C(F)(F)F ZINC000000170447 361139737 /nfs/dbraw/zinc/13/97/37/361139737.db2.gz GQKOZTHXABATEO-MRVPVSSYSA-N -1 0 266.240 2.400 50 0 CEAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000000057554 361122527 /nfs/dbraw/zinc/12/25/27/361122527.db2.gz HFPVZPNLMJDJFB-GFCCVEGCSA-N -1 0 277.320 2.433 50 0 CEAARM CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056758 361122677 /nfs/dbraw/zinc/12/26/77/361122677.db2.gz HCZNPUHZYPPINM-AWEZNQCLSA-N -1 0 288.347 2.326 50 0 in-vitro CEAARM Cc1cccc(C)c1[N-]C(=S)SCC(N)=O ZINC000000075306 361123761 /nfs/dbraw/zinc/12/37/61/361123761.db2.gz ONQSBYIMWSEIDW-UHFFFAOYSA-N -1 0 254.380 2.219 50 0 CEAARM CSc1ncccc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000000096061 361127897 /nfs/dbraw/zinc/12/78/97/361127897.db2.gz QCNUVPGFTRHRMH-JTQLQIEISA-N -1 0 282.365 2.033 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000372291 361167391 /nfs/dbraw/zinc/16/73/91/361167391.db2.gz AGIONAJPEFKHPK-DTWKUNHWSA-N -1 0 295.364 2.245 50 0 CEAARM CCOc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000000428641 361173616 /nfs/dbraw/zinc/17/36/16/361173616.db2.gz WOFTWEPYTKABOV-UHFFFAOYSA-N -1 0 296.348 2.491 50 0 CEAARM O=S(=O)([N-]c1cccnc1)c1ccccc1F ZINC000000466287 361178445 /nfs/dbraw/zinc/17/84/45/361178445.db2.gz BGTXZXFHXFGLNH-UHFFFAOYSA-N -1 0 252.270 2.022 50 0 CEAARM O=C([O-])C[C@@H](CC(=O)Nc1nncs1)c1ccccc1 ZINC000000802046 361192085 /nfs/dbraw/zinc/19/20/85/361192085.db2.gz YGDQIDGTLSPHRA-SNVBAGLBSA-N -1 0 291.332 2.125 50 0 CEAARM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000000784167 361192303 /nfs/dbraw/zinc/19/23/03/361192303.db2.gz MKRWDKMCZKVEHG-GFCCVEGCSA-N -1 0 273.288 2.014 50 0 CEAARM CCn1cc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c(C)n1 ZINC000001002162 361195283 /nfs/dbraw/zinc/19/52/83/361195283.db2.gz MVDDGANHXLOQKS-UHFFFAOYSA-N -1 0 287.319 2.470 50 0 CEAARM CC(=O)Nc1ccc(Sc2ncccc2C(=O)[O-])cn1 ZINC000001393881 361203445 /nfs/dbraw/zinc/20/34/45/361203445.db2.gz GXESVBHOCOACSO-UHFFFAOYSA-N -1 0 289.316 2.284 50 0 CEAARM CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000000337203 361162947 /nfs/dbraw/zinc/16/29/47/361162947.db2.gz FXVSBOOVGBTGEE-UHFFFAOYSA-N -1 0 281.786 2.253 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000002747215 361247699 /nfs/dbraw/zinc/24/76/99/361247699.db2.gz SEXWSPKTAVZREN-CHWSQXEVSA-N -1 0 279.311 2.333 50 0 CEAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001689959 361217213 /nfs/dbraw/zinc/21/72/13/361217213.db2.gz USPFMEKVPDBMCG-LBPRGKRZSA-N -1 0 265.309 2.412 50 0 in-vitro CEAARM CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002022619 361226035 /nfs/dbraw/zinc/22/60/35/361226035.db2.gz FPKHNNQXKZMOJJ-LLVKDONJSA-N -1 0 283.349 2.119 50 0 CEAARM CCC(=O)c1ccc(OCCCC(=O)[O-])c(O)c1 ZINC000002094985 361227705 /nfs/dbraw/zinc/22/77/05/361227705.db2.gz CWSCFZFNOJBIMD-UHFFFAOYSA-N -1 0 252.266 2.229 50 0 CEAARM CSCC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002386812 361234401 /nfs/dbraw/zinc/23/44/01/361234401.db2.gz HBFKPNZCUUZRLA-QMMMGPOBSA-N -1 0 263.359 2.108 50 0 CEAARM CCCCC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000002999196 361261340 /nfs/dbraw/zinc/26/13/40/361261340.db2.gz VMYAXWVMEWQTIJ-UHFFFAOYSA-N -1 0 280.349 2.388 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000003135742 361264628 /nfs/dbraw/zinc/26/46/28/361264628.db2.gz ZXZXUZONTVYBRL-RKDXNWHRSA-N -1 0 273.210 2.365 50 0 CEAARM Cc1csc(C(=O)[O-])c1I ZINC000004290567 361309061 /nfs/dbraw/zinc/30/90/61/361309061.db2.gz JTRJCSFZFUUXPF-UHFFFAOYSA-N -1 0 268.075 2.359 50 0 CEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000005423093 361331788 /nfs/dbraw/zinc/33/17/88/361331788.db2.gz FARTVUNWNPXBME-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CCc1cc(C)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)o1 ZINC000237125581 370692045 /nfs/dbraw/zinc/69/20/45/370692045.db2.gz JQGOGGZQAPLWMQ-AWEZNQCLSA-N -1 0 265.309 2.087 50 0 CEAARM CN(CC(=O)[O-])C(=O)C1(c2ccccc2F)CCCC1 ZINC000082266132 363756440 /nfs/dbraw/zinc/75/64/40/363756440.db2.gz CHPRXKFJLNCRRU-UHFFFAOYSA-N -1 0 279.311 2.181 50 0 CEAARM CCS(=O)(=O)Nc1ccc2oc(C)c(C(=O)[O-])c2c1 ZINC000011566497 361359399 /nfs/dbraw/zinc/35/93/99/361359399.db2.gz GPLSIBPKONWDMM-UHFFFAOYSA-N -1 0 283.305 2.201 50 0 CEAARM COc1ccc(-c2n[n-]c(-c3ccccc3N)nc2=O)cc1 ZINC000012542636 361389681 /nfs/dbraw/zinc/38/96/81/361389681.db2.gz FSMDXWJWHARCJI-UHFFFAOYSA-N -1 0 294.314 2.090 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccccc2F)CC1 ZINC000013167351 361422302 /nfs/dbraw/zinc/42/23/02/361422302.db2.gz JXBSHYLFBNPGQX-AATRIKPKSA-N -1 0 277.295 2.162 50 0 CEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000016101369 361483550 /nfs/dbraw/zinc/48/35/50/361483550.db2.gz GLGRRJBEKZCMKH-UHFFFAOYSA-N -1 0 285.756 2.481 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cl)ccc1F ZINC000019271169 361523842 /nfs/dbraw/zinc/52/38/42/361523842.db2.gz YSRFKOKBUKGGIY-SNVBAGLBSA-N -1 0 271.675 2.168 50 0 CEAARM Cc1ccccc1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000019275143 361525481 /nfs/dbraw/zinc/52/54/81/361525481.db2.gz KAIQWWTWTRIMRS-ZDUSSCGKSA-N -1 0 261.321 2.003 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000019843571 361561005 /nfs/dbraw/zinc/56/10/05/361561005.db2.gz AMDIGSLXKNGOAS-TVQRCGJNSA-N -1 0 274.320 2.397 50 0 CEAARM O=C([O-])c1nnn(-c2ccccc2F)c1-c1ccncc1 ZINC000019813975 361556512 /nfs/dbraw/zinc/55/65/12/361556512.db2.gz PHMKNXYPPGFYCJ-UHFFFAOYSA-N -1 0 284.250 2.167 50 0 CEAARM CC1(C)OC(=O)c2cc(Br)c([O-])cc2O1 ZINC000032099188 361725139 /nfs/dbraw/zinc/72/51/39/361725139.db2.gz FOZVJTHORLMHQD-UHFFFAOYSA-N -1 0 273.082 2.440 50 0 CEAARM C[C@H](CC(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1F ZINC000089894499 364015004 /nfs/dbraw/zinc/01/50/04/364015004.db2.gz OJTAVTAOOJIPLE-MEBBXXQBSA-N -1 0 297.301 2.345 50 0 CEAARM CCC[C@@H](NC(=O)c1cc(C)ccc1C)c1nnn[n-]1 ZINC000089949629 364022591 /nfs/dbraw/zinc/02/25/91/364022591.db2.gz RICIZEXBXKOBRZ-GFCCVEGCSA-N -1 0 273.340 2.088 50 0 CEAARM C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCCO1 ZINC000237578679 370734368 /nfs/dbraw/zinc/73/43/68/370734368.db2.gz KBMSIJJBPMDAMR-BXUZGUMPSA-N -1 0 291.347 2.001 50 0 CEAARM C[C@@H](OCC1CC1)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237403668 370718795 /nfs/dbraw/zinc/71/87/95/370718795.db2.gz FIZLYLAXSUQAMZ-YPMHNXCESA-N -1 0 283.368 2.047 50 0 CEAARM C[C@H](C(=O)N(CC(=O)[O-])C1CC1)c1ccccc1F ZINC000237400417 370718951 /nfs/dbraw/zinc/71/89/51/370718951.db2.gz QHWRLHZNJBQMAE-VIFPVBQESA-N -1 0 265.284 2.005 50 0 CEAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000237677726 370744222 /nfs/dbraw/zinc/74/42/22/370744222.db2.gz SKKKMAAESJDBSI-CABCVRRESA-N -1 0 287.359 2.422 50 0 CEAARM Cc1ccc(CCCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237692579 370745439 /nfs/dbraw/zinc/74/54/39/370745439.db2.gz NZWUZUKQILNRFD-CQSZACIVSA-N -1 0 275.348 2.251 50 0 CEAARM CC1(C)[C@](C)(C(=O)[O-])[C@]12CC[C@H]2C(=O)NCc1ccco1 ZINC000239433750 370776756 /nfs/dbraw/zinc/77/67/56/370776756.db2.gz YKDHCCFJXBEINY-UVBJJODRSA-N -1 0 291.347 2.423 50 0 CEAARM CCOCCO[C@H](C)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000095425361 364371215 /nfs/dbraw/zinc/37/12/15/364371215.db2.gz KVRNWPYHGVNONS-LLVKDONJSA-N -1 0 295.335 2.073 50 0 CEAARM Cc1noc([N-]S(=O)(=O)Cc2ccccc2)c1C ZINC000095447339 364382198 /nfs/dbraw/zinc/38/21/98/364382198.db2.gz YFIBFFFWDPNGGS-UHFFFAOYSA-N -1 0 266.322 2.233 50 0 CEAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccon2)cc1F ZINC000095368080 364348290 /nfs/dbraw/zinc/34/82/90/364348290.db2.gz MYJPOFITKYPQRV-ZDUSSCGKSA-N -1 0 294.282 2.080 50 0 CEAARM CCCOc1ccc(C(=O)N[C@H](C)CC(=O)[O-])cc1OC ZINC000095377563 364351305 /nfs/dbraw/zinc/35/13/05/364351305.db2.gz NGAILKRWJSACFV-SNVBAGLBSA-N -1 0 295.335 2.077 50 0 CEAARM O=C([O-])CCCNC(=O)C1(c2ccc(F)cc2F)CCC1 ZINC000190526192 189567785 /nfs/dbraw/zinc/56/77/85/189567785.db2.gz RZIVUOCDUIHNSB-UHFFFAOYSA-N -1 0 297.301 2.368 50 0 CEAARM Cc1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000103503058 364662379 /nfs/dbraw/zinc/66/23/79/364662379.db2.gz MADGIBGOPOEDEK-YXVBKTCISA-N -1 0 259.305 2.084 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)Cc2ccsc2)c1 ZINC000111403559 364734603 /nfs/dbraw/zinc/73/46/03/364734603.db2.gz CFEKDIDUUBXUPM-UHFFFAOYSA-N -1 0 289.356 2.348 50 0 CEAARM CCOc1ccccc1/C=C\C(=O)NCCCC(=O)[O-] ZINC000208200229 189686563 /nfs/dbraw/zinc/68/65/63/189686563.db2.gz DQYRAKAIXSLHMN-KTKRTIGZSA-N -1 0 277.320 2.080 50 0 CEAARM C/C(=C\C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC000583652267 367079070 /nfs/dbraw/zinc/07/90/70/367079070.db2.gz YEPSIRZFTWYYBN-ZKQHCESOSA-N -1 0 265.353 2.446 50 0 CEAARM COc1csc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000161920966 367122029 /nfs/dbraw/zinc/12/20/29/367122029.db2.gz ZLQZTMZHUGFJPT-JTQLQIEISA-N -1 0 297.376 2.474 50 0 CEAARM CCCOCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163597825 367252545 /nfs/dbraw/zinc/25/25/45/367252545.db2.gz YHNNVQGCZUEUPS-UHFFFAOYSA-N -1 0 266.322 2.482 50 0 CEAARM Cc1cc(NC(=O)[C@H]2CCc3c[nH]nc3C2)ccc1C(=O)[O-] ZINC000170591068 367382703 /nfs/dbraw/zinc/38/27/03/367382703.db2.gz PRQHKOWZTCFNPX-JTQLQIEISA-N -1 0 299.330 2.160 50 0 CEAARM O=C([O-])C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000170596105 367384826 /nfs/dbraw/zinc/38/48/26/367384826.db2.gz XXDYLLIGDKGPOO-QMMMGPOBSA-N -1 0 285.702 2.097 50 0 CEAARM CN(CCC(=O)[O-])C(=O)C(C)(C)c1cccc(F)c1 ZINC000170672415 367396474 /nfs/dbraw/zinc/39/64/74/367396474.db2.gz LWIDXKSJDITRPZ-UHFFFAOYSA-N -1 0 267.300 2.036 50 0 CEAARM O=C([O-])[C@H]1C[C@@H](C(=O)OCc2ccccc2)C[C@H]1F ZINC000169725935 367371059 /nfs/dbraw/zinc/37/10/59/367371059.db2.gz FCRBLYOJURQBKG-GRYCIOLGSA-N -1 0 266.268 2.179 50 0 CEAARM Cc1cc(CCCC(=O)N[C@@H](C)C(=O)[O-])c(C)s1 ZINC000170050215 367374787 /nfs/dbraw/zinc/37/47/87/367374787.db2.gz JMOAPWOACVVKAZ-VIFPVBQESA-N -1 0 269.366 2.277 50 0 CEAARM C/C=C(\C)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000221734281 370245029 /nfs/dbraw/zinc/24/50/29/370245029.db2.gz YUGOLEUXIQIIMN-IGLBNKAOSA-N -1 0 253.342 2.302 50 0 CEAARM CC(C)C[C@H](CNC(=O)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000225462064 370296682 /nfs/dbraw/zinc/29/66/82/370296682.db2.gz PQLZSZPSZBOTTN-LLVKDONJSA-N -1 0 299.317 2.370 50 0 CEAARM CC(C)(C)/C=C/C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000236735204 370616227 /nfs/dbraw/zinc/61/62/27/370616227.db2.gz QOWDBTZMMPZLTM-XBXARRHUSA-N -1 0 283.368 2.071 50 0 CEAARM CC(C)OCCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000236787931 370626755 /nfs/dbraw/zinc/62/67/55/370626755.db2.gz MKDSCUUHPBMXSR-AVGNSLFASA-N -1 0 283.368 2.046 50 0 CEAARM O=C([O-])[C@H](CNC(=O)[C@H]1C[C@H]1c1ccco1)c1ccccc1 ZINC000252511846 371451072 /nfs/dbraw/zinc/45/10/72/371451072.db2.gz LDJLXBJQBDOBEP-HZSPNIEDSA-N -1 0 299.326 2.368 50 0 CEAARM COc1ccccc1/C(C)=C/C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237089983 189863383 /nfs/dbraw/zinc/86/33/83/189863383.db2.gz CLGVHKIVUXERDI-OCHBPSSRSA-N -1 0 289.331 2.174 50 0 CEAARM COc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1C(=O)[O-] ZINC000237291757 189871051 /nfs/dbraw/zinc/87/10/51/189871051.db2.gz ISVQLLVRLUNORI-LLVKDONJSA-N -1 0 289.331 2.366 50 0 CEAARM Cc1oc(CNC(=O)c2cc(C(C)C)on2)cc1C(=O)[O-] ZINC000263147306 371929247 /nfs/dbraw/zinc/92/92/47/371929247.db2.gz NGWYWACJWCXTEC-UHFFFAOYSA-N -1 0 292.291 2.328 50 0 CEAARM CCN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000268911359 372284249 /nfs/dbraw/zinc/28/42/49/372284249.db2.gz NNLNEKNDUXEJQO-LERXQTSPSA-N -1 0 291.347 2.325 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCC(=O)[O-] ZINC000237638177 189885769 /nfs/dbraw/zinc/88/57/69/189885769.db2.gz BRQCUPXJUCDGIT-QWHCGFSZSA-N -1 0 261.321 2.080 50 0 CEAARM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000237692818 189887389 /nfs/dbraw/zinc/88/73/89/189887389.db2.gz SNAXWVTWQCPUMU-NSHDSACASA-N -1 0 281.377 2.312 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2c2ccco2)cn1 ZINC000237980742 189896207 /nfs/dbraw/zinc/89/62/07/189896207.db2.gz DNGAMPDKDHXAGA-LBPRGKRZSA-N -1 0 286.287 2.350 50 0 CEAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1Cl ZINC000643847098 373286032 /nfs/dbraw/zinc/28/60/32/373286032.db2.gz VTRCRLCAJIODEH-CQSZACIVSA-N -1 0 297.738 2.046 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000238049760 304178552 /nfs/dbraw/zinc/17/85/52/304178552.db2.gz YDSJOJQIPYUWBN-CYBMUJFWSA-N -1 0 290.294 2.386 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000036974665 304181968 /nfs/dbraw/zinc/18/19/68/304181968.db2.gz YHRMHJCACSUKSD-ZDUSSCGKSA-N -1 0 287.359 2.432 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2c(F)cccc2F)C1 ZINC000128515262 304181979 /nfs/dbraw/zinc/18/19/79/304181979.db2.gz QUAHXZUWAQYYCW-JTQLQIEISA-N -1 0 297.301 2.221 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000037435304 304185724 /nfs/dbraw/zinc/18/57/24/304185724.db2.gz IUNDOBGDOJVOHC-UONOGXRCSA-N -1 0 273.332 2.182 50 0 CEAARM O=C([O-])[C@H]1CCN(c2cccc3ccccc32)C1=O ZINC000002520444 304192468 /nfs/dbraw/zinc/19/24/68/304192468.db2.gz BGTUAVMAHNEDLD-LBPRGKRZSA-N -1 0 255.273 2.277 50 0 CEAARM Cc1[nH]c2c(cccc2C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1C ZINC000426571612 377420856 /nfs/dbraw/zinc/42/08/56/377420856.db2.gz MRNPYUBLHWTDMQ-XYPYZODXSA-N -1 0 286.331 2.378 50 0 CEAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1n[nH]c(C)c1Cl ZINC000426667342 377427154 /nfs/dbraw/zinc/42/71/54/377427154.db2.gz AJXJMNPPNPAYJY-QMMMGPOBSA-N -1 0 287.747 2.135 50 0 CEAARM CC(C)[C@@H](Oc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000426526876 377415500 /nfs/dbraw/zinc/41/55/00/377415500.db2.gz NGVQFBDEUNADQU-MBNYWOFBSA-N -1 0 291.347 2.069 50 0 CEAARM C[C@@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]21 ZINC000245326186 296264433 /nfs/dbraw/zinc/26/44/33/296264433.db2.gz DYPBDOYFHRTWKX-WQAKAFBOSA-N -1 0 285.299 2.086 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC=CCC1 ZINC000019519465 304206586 /nfs/dbraw/zinc/20/65/86/304206586.db2.gz BCFFRPCZMWPFPV-IUODEOHRSA-N -1 0 285.343 2.381 50 0 CEAARM COc1cccc([C@@H](C(=O)[O-])N2CCSCC2)c1F ZINC000095384731 295312245 /nfs/dbraw/zinc/31/22/45/295312245.db2.gz CRDLXGQWHWGAHP-LBPRGKRZSA-N -1 0 285.340 2.009 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC000299744062 379125645 /nfs/dbraw/zinc/12/56/45/379125645.db2.gz QPJAEEDSKSLARM-WXHSDQCUSA-N -1 0 293.750 2.377 50 0 CEAARM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC000299743684 379125827 /nfs/dbraw/zinc/12/58/27/379125827.db2.gz OSBYSMQRQIHKHQ-SCZZXKLOSA-N -1 0 283.274 2.001 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CC1CCOCC1 ZINC000299752512 379126537 /nfs/dbraw/zinc/12/65/37/379126537.db2.gz UIXPSVIKHCKAFV-MCIONIFRSA-N -1 0 295.379 2.047 50 0 CEAARM C[C@@H](Cc1ccc2c(c1)OCO2)c1cc(C(=O)[O-])on1 ZINC000299785001 379137380 /nfs/dbraw/zinc/13/73/80/379137380.db2.gz IRLLWEWTDLVNTR-QMMMGPOBSA-N -1 0 275.260 2.448 50 0 CEAARM O=C([O-])c1cc2c([nH]1)c1c(cc2Br)OCO1 ZINC000004234966 304228333 /nfs/dbraw/zinc/22/83/33/304228333.db2.gz VALNZNRTASOLCX-UHFFFAOYSA-N -1 0 284.065 2.357 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000132797159 304233943 /nfs/dbraw/zinc/23/39/43/304233943.db2.gz HSBJKGXBPKEWLU-UWVGGRQHSA-N -1 0 263.293 2.383 50 0 CEAARM CCc1cc2c(nc(C)nc2NCCC(=O)[O-])s1 ZINC000000383021 169624418 /nfs/dbraw/zinc/62/44/18/169624418.db2.gz OUGFIJKNYWLKDZ-UHFFFAOYSA-N -1 0 265.338 2.449 50 0 CEAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000039365818 184546609 /nfs/dbraw/zinc/54/66/09/184546609.db2.gz RKKWOAKMXYWOIM-GFCCVEGCSA-N -1 0 265.309 2.412 50 0 CEAARM COCOc1c(C(=O)[O-])cccc1C(F)(F)F ZINC000096171676 256887480 /nfs/dbraw/zinc/88/74/80/256887480.db2.gz BAVALBGJMHWKLJ-UHFFFAOYSA-N -1 0 250.172 2.386 50 0 CEAARM O=C([O-])c1nc(Br)c(F)cc1Cl ZINC000095611715 304283220 /nfs/dbraw/zinc/28/32/20/304283220.db2.gz BCHIHNFJSXHACA-UHFFFAOYSA-N -1 0 254.442 2.335 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC000261809170 131170560 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CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)[O-] ZINC000004287377 361309319 /nfs/dbraw/zinc/30/93/19/361309319.db2.gz QONNUMLEACJFME-NSHDSACASA-N -1 0 263.293 2.437 50 0 CEAARM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000004299270 361310381 /nfs/dbraw/zinc/31/03/81/361310381.db2.gz PZRXRMWHLUUHFB-NSHDSACASA-N -1 0 265.309 2.380 50 0 CEAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)OC1CCCCC1 ZINC000004672982 361325868 /nfs/dbraw/zinc/32/58/68/361325868.db2.gz VOEBKPKFNDYXDX-ZDUSSCGKSA-N -1 0 295.335 2.088 50 0 CEAARM CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)[O-] ZINC000006256060 361336119 /nfs/dbraw/zinc/33/61/19/361336119.db2.gz PWAARTQYEXQUDY-LLVKDONJSA-N -1 0 256.346 2.071 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc2c1NCCC2 ZINC000426606820 304104310 /nfs/dbraw/zinc/10/43/10/304104310.db2.gz XCYWLWMGIUONLL-ZDUSSCGKSA-N -1 0 288.347 2.124 50 0 CEAARM O=C([O-])c1cnn(Cc2cccc(Br)c2)c1 ZINC000011920458 361368969 /nfs/dbraw/zinc/36/89/69/361368969.db2.gz PHIKZQZADWDNII-UHFFFAOYSA-N -1 0 281.109 2.392 50 0 CEAARM O=C([O-])c1cccnc1N1CCN(c2ccccc2)CC1 ZINC000011633158 361360557 /nfs/dbraw/zinc/36/05/57/361360557.db2.gz QGBCFGVKMSJNDN-UHFFFAOYSA-N -1 0 283.331 2.106 50 0 CEAARM O=C([O-])c1c(Br)cnn1C1CCCC1 ZINC000012357792 361378532 /nfs/dbraw/zinc/37/85/32/361378532.db2.gz MEWNBONVONXSIL-UHFFFAOYSA-N -1 0 259.103 2.459 50 0 CEAARM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCOCC1 ZINC000012391750 361381179 /nfs/dbraw/zinc/38/11/79/361381179.db2.gz GTYPOXDDZHZPQQ-CYBMUJFWSA-N -1 0 294.738 2.279 50 0 CEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000013153193 361421144 /nfs/dbraw/zinc/42/11/44/361421144.db2.gz TYZXWNYMZXLYSH-CQSZACIVSA-N -1 0 275.348 2.379 50 0 CEAARM Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170371 361422248 /nfs/dbraw/zinc/42/22/48/361422248.db2.gz FJLNQZUVLMNZHZ-GFCCVEGCSA-N -1 0 261.321 2.240 50 0 CEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000013179094 361423964 /nfs/dbraw/zinc/42/39/64/361423964.db2.gz IIRKBFZCDXOLPC-WXHSDQCUSA-N -1 0 261.321 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252.657 2.407 50 0 CEAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000022215155 361588076 /nfs/dbraw/zinc/58/80/76/361588076.db2.gz HFSSAWJPQSZVAL-TXEJJXNPSA-N -1 0 287.315 2.373 50 0 CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1COc2ccccc21 ZINC000227086767 304107461 /nfs/dbraw/zinc/10/74/61/304107461.db2.gz OMHBYVXOJCABIN-NQBHXWOUSA-N -1 0 289.331 2.127 50 0 CEAARM O=C([N-]OCc1ccccc1)[C@H]1Cc2ccccc2O1 ZINC000025284363 361622031 /nfs/dbraw/zinc/62/20/31/361622031.db2.gz WVUBEKPCDSHCPK-OAHLLOKOSA-N -1 0 269.300 2.238 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)N[C@H]2CC=CCC2)cc1 ZINC000088749426 363919091 /nfs/dbraw/zinc/91/90/91/363919091.db2.gz XGZGIMHYYCMALM-ZDUSSCGKSA-N -1 0 274.320 2.293 50 0 CEAARM C[C@@H](C(=O)[O-])N(C(=O)CCc1cc(F)ccc1F)C1CC1 ZINC000089598256 363981498 /nfs/dbraw/zinc/98/14/98/363981498.db2.gz AESACYVBAUYWMG-VIFPVBQESA-N -1 0 297.301 2.362 50 0 CEAARM CCCCSCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000089954837 364022555 /nfs/dbraw/zinc/02/25/55/364022555.db2.gz VFQOTRGJZDPSSZ-CYBMUJFWSA-N -1 0 273.398 2.233 50 0 CEAARM CCn1c2ccccc2nc1[C@H]1CCCN1CC(=O)[O-] ZINC000237226529 370702494 /nfs/dbraw/zinc/70/24/94/370702494.db2.gz BDUIULYYSCSRQE-CYBMUJFWSA-N -1 0 273.336 2.278 50 0 CEAARM COc1cc(CNC(=O)[C@H]2C[C@@H]2C2CC2)ccc1C(=O)[O-] ZINC000237318714 370710728 /nfs/dbraw/zinc/71/07/28/370710728.db2.gz JFFGTVFRQZJKSD-OLZOCXBDSA-N -1 0 289.331 2.056 50 0 CEAARM C[C@@H]1CC[C@H](CCC(=O)NCc2cccc(C(=O)[O-])c2)O1 ZINC000237386556 370717172 /nfs/dbraw/zinc/71/71/72/370717172.db2.gz QLOAXDBFZHRQPG-BXUZGUMPSA-N -1 0 291.347 2.349 50 0 CEAARM C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237458324 370723007 /nfs/dbraw/zinc/72/30/07/370723007.db2.gz LBUHPZYWMQQODK-PWSUYJOCSA-N -1 0 287.315 2.469 50 0 CEAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)c(Cl)cc1F ZINC000237667307 370742928 /nfs/dbraw/zinc/74/29/28/370742928.db2.gz CUHLXNCEDPBMOF-UHFFFAOYSA-N -1 0 285.702 2.477 50 0 CEAARM Cc1ccc(CCCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237692785 370745233 /nfs/dbraw/zinc/74/52/33/370745233.db2.gz NZWUZUKQILNRFD-AWEZNQCLSA-N -1 0 275.348 2.251 50 0 CEAARM Cc1cc(C)c(C(=O)NC2(C(=O)[O-])CCCC2)o1 ZINC000237803030 370751870 /nfs/dbraw/zinc/75/18/70/370751870.db2.gz VUXFHFYUAJIUIH-UHFFFAOYSA-N -1 0 251.282 2.024 50 0 CEAARM Cc1occc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095389904 364354956 /nfs/dbraw/zinc/35/49/56/364354956.db2.gz DGJGJQHFUOXZQX-UHFFFAOYSA-N -1 0 273.288 2.315 50 0 CEAARM COCCCC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095425531 364371200 /nfs/dbraw/zinc/37/12/00/364371200.db2.gz RLCXCHCLUQKDHE-UHFFFAOYSA-N -1 0 265.309 2.069 50 0 CEAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)[nH]n1 ZINC000095378196 364351508 /nfs/dbraw/zinc/35/15/08/364351508.db2.gz AWUMGQOKIHAODT-ZDUSSCGKSA-N -1 0 293.367 2.126 50 0 CEAARM C[C@@H](Oc1cccnc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000097098465 364449003 /nfs/dbraw/zinc/44/90/03/364449003.db2.gz GFNBIIDOSYMLJI-LLVKDONJSA-N -1 0 292.360 2.015 50 0 CEAARM O=S(=O)([N-]c1ncccn1)c1ccc(Cl)cc1F ZINC000097114291 364456556 /nfs/dbraw/zinc/45/65/56/364456556.db2.gz BEXOTHHJLPACIE-UHFFFAOYSA-N -1 0 287.703 2.070 50 0 CEAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000097039241 364429075 /nfs/dbraw/zinc/42/90/75/364429075.db2.gz ODHMEYRPGHTKAI-KGLIPLIRSA-N -1 0 273.332 2.090 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000097039213 364429383 /nfs/dbraw/zinc/42/93/83/364429383.db2.gz MQTMTLXQTHCWHR-UTLUCORTSA-N -1 0 297.301 2.438 50 0 CEAARM Cc1ccc(-c2nnco2)cc1NC(=O)c1ncccc1[O-] ZINC000097141359 364462678 /nfs/dbraw/zinc/46/26/78/364462678.db2.gz QMSAIIOHEVKQMG-UHFFFAOYSA-N -1 0 296.286 2.398 50 0 CEAARM Cc1cc(-c2c(C)[n-]n(-c3ccccc3)c2=O)n(CCO)n1 ZINC000100334453 364544724 /nfs/dbraw/zinc/54/47/24/364544724.db2.gz NHLDBLJHJOHCLB-UHFFFAOYSA-N -1 0 298.346 2.051 50 0 CEAARM CCOc1ccc(S(=O)(=O)[N-]c2conc2C)cc1 ZINC000585119238 367180739 /nfs/dbraw/zinc/18/07/39/367180739.db2.gz YQNCQLISKXGNTA-UHFFFAOYSA-N -1 0 282.321 2.183 50 0 CEAARM CC1=C[C@H](C)[C@H](C(=O)[O-])[C@@H](C(=O)NCc2cccnc2)C1 ZINC000169705014 367371036 /nfs/dbraw/zinc/37/10/36/367371036.db2.gz BWUMIDKCCNRFQN-UBHSHLNASA-N -1 0 288.347 2.001 50 0 CEAARM O=C(Nc1nn[nH]n1)c1ccc(C(F)(F)F)cc1Cl ZINC000181388522 368450002 /nfs/dbraw/zinc/45/00/02/368450002.db2.gz UFJDMYBJPCAHNS-UHFFFAOYSA-N -1 0 291.620 2.124 50 0 CEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C1CCC=CCC1 ZINC000634803139 368891980 /nfs/dbraw/zinc/89/19/80/368891980.db2.gz HLPIXLFVARBQRM-AWEZNQCLSA-N -1 0 295.379 2.215 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1ccsc1)C(=O)[O-] ZINC000195541704 370138059 /nfs/dbraw/zinc/13/80/59/370138059.db2.gz SQCCWXPBDQJYQE-QXEWZRGKSA-N -1 0 269.366 2.467 50 0 CEAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000195541498 370138723 /nfs/dbraw/zinc/13/87/23/370138723.db2.gz NRADFMWOJMFIJW-VHSXEESVSA-N -1 0 297.301 2.392 50 0 CEAARM COc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c(F)c1 ZINC000224800230 370283032 /nfs/dbraw/zinc/28/30/32/370283032.db2.gz XAXLVLJCGZWTGM-UHFFFAOYSA-N -1 0 295.310 2.208 50 0 CEAARM O=C(Nc1ccnn1CC1CC1)c1c([O-])cccc1F ZINC000225402672 370292611 /nfs/dbraw/zinc/29/26/11/370292611.db2.gz CIIVFMNDUVRAQE-UHFFFAOYSA-N -1 0 275.283 2.390 50 0 CEAARM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(O)c1 ZINC000229008464 370417470 /nfs/dbraw/zinc/41/74/70/370417470.db2.gz LHBZRKACMXJSSL-MISXGVKJSA-N -1 0 289.331 2.026 50 0 CEAARM Cn1ncc2c1CCCC2=NNc1ccc(C(=O)[O-])cc1 ZINC000252474289 371440325 /nfs/dbraw/zinc/44/03/25/371440325.db2.gz AHGXAZQWCSOYEO-UHFFFAOYSA-N -1 0 284.319 2.271 50 0 CEAARM CCCCS(=O)(=O)[N-]c1noc2ccccc21 ZINC000253418963 371519983 /nfs/dbraw/zinc/51/99/83/371519983.db2.gz FGXHBWYOHJCUQG-UHFFFAOYSA-N -1 0 254.311 2.370 50 0 CEAARM CCCc1ccc(S(=O)(=O)[N-]c2nnc(C)o2)cc1 ZINC000253427869 371521207 /nfs/dbraw/zinc/52/12/07/371521207.db2.gz DYHWWTSVRNRKHC-UHFFFAOYSA-N -1 0 281.337 2.131 50 0 CEAARM CO[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000255112435 371558872 /nfs/dbraw/zinc/55/88/72/371558872.db2.gz PIRIPWZFCDLIRG-PIZKADEWSA-N -1 0 289.331 2.035 50 0 CEAARM Cc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000262472316 371865801 /nfs/dbraw/zinc/86/58/01/371865801.db2.gz UPHYPLWANIUFPS-QMMMGPOBSA-N -1 0 253.323 2.134 50 0 CEAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc(OC(F)F)cc1)C1CC1 ZINC000262578194 371878487 /nfs/dbraw/zinc/87/84/87/371878487.db2.gz DYVLFLPBRHVZCH-MRVPVSSYSA-N -1 0 299.273 2.366 50 0 CEAARM Cc1cc(C)c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)o1 ZINC000237467329 189877332 /nfs/dbraw/zinc/87/73/32/189877332.db2.gz ZGYAPVISWGEFFI-VIFPVBQESA-N -1 0 265.309 2.222 50 0 CEAARM Cc1noc(C)c1[C@@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237614916 189884714 /nfs/dbraw/zinc/88/47/14/189884714.db2.gz DVGQWFKUOWMNSD-RKDXNWHRSA-N -1 0 294.351 2.107 50 0 CEAARM O=C([O-])[C@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000091932770 304176257 /nfs/dbraw/zinc/17/62/57/304176257.db2.gz UWNYQQKPJKHCNG-NSHDSACASA-N -1 0 281.739 2.206 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)CC(C1CC1)C1CC1 ZINC000328593961 304176965 /nfs/dbraw/zinc/17/69/65/304176965.db2.gz DRNXQWZGYWSCTK-CYBMUJFWSA-N -1 0 265.353 2.278 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(F)c1Cl ZINC000164439832 304186704 /nfs/dbraw/zinc/18/67/04/304186704.db2.gz AXUQDVWLGHDPFM-SECBINFHSA-N -1 0 271.675 2.168 50 0 CEAARM Cc1cccc([C@@H](NC(=O)CCCC(=O)[O-])C2CC2)n1 ZINC000426544822 377417235 /nfs/dbraw/zinc/41/72/35/377417235.db2.gz AAEFBELEBWAHGU-HNNXBMFYSA-N -1 0 276.336 2.212 50 0 CEAARM O=C([O-])c1c(Cl)nccc1I ZINC000002547609 304217265 /nfs/dbraw/zinc/21/72/65/304217265.db2.gz XOMBFOCJXYZRSI-UHFFFAOYSA-N -1 0 283.452 2.038 50 0 CEAARM O=C([O-])c1cccc(C(=O)N2CCOc3ccccc3C2)c1 ZINC000299743292 379125171 /nfs/dbraw/zinc/12/51/71/379125171.db2.gz MZDZJNKWYKWVJP-UHFFFAOYSA-N -1 0 297.310 2.420 50 0 CEAARM Cc1cc(C(C)(C)C)ccc1NC(=O)COCC(=O)[O-] ZINC000000146062 169553796 /nfs/dbraw/zinc/55/37/96/169553796.db2.gz MAPHSKHCBKFEQE-UHFFFAOYSA-N -1 0 279.336 2.332 50 0 CEAARM O=C([O-])c1cc2cc(I)ccc2[nH]1 ZINC000002432858 304229342 /nfs/dbraw/zinc/22/93/42/304229342.db2.gz VFNFKMFTFFMIRW-UHFFFAOYSA-N -1 0 287.056 2.471 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000372296 169621392 /nfs/dbraw/zinc/62/13/92/169621392.db2.gz AGIONAJPEFKHPK-BDAKNGLRSA-N -1 0 295.364 2.245 50 0 CEAARM O=C([O-])c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000010475236 304243811 /nfs/dbraw/zinc/24/38/11/304243811.db2.gz LENBSQBVUYZKPX-UHFFFAOYSA-N -1 0 285.299 2.373 50 0 CEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000004322289 285160231 /nfs/dbraw/zinc/16/02/31/285160231.db2.gz OOEQVBQHJUONDC-TZMCWYRMSA-N -1 0 277.320 2.079 50 0 CEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000040488278 285168764 /nfs/dbraw/zinc/16/87/64/285168764.db2.gz NYSYCGLAGQIEDC-JSGCOSHPSA-N -1 0 261.321 2.379 50 0 CEAARM CCN1C(=O)S/C(=C/c2ccc(C(=O)[O-])cc2)C1=O ZINC000004695148 285173953 /nfs/dbraw/zinc/17/39/53/285173953.db2.gz ANUYWVFFVSCKFX-JXMROGBWSA-N -1 0 277.301 2.441 50 0 CEAARM COc1cnccc1CN=c1nc(CC(C)C)[n-]s1 ZINC000408515567 533134563 /nfs/dbraw/zinc/13/45/63/533134563.db2.gz CBUCTKYGRVKNFD-UHFFFAOYSA-N -1 0 278.381 2.174 50 0 CEAARM O=C([O-])c1cccc2c(I)c[nH]c21 ZINC000089203951 304265470 /nfs/dbraw/zinc/26/54/70/304265470.db2.gz XPFPSGUINDMCAV-UHFFFAOYSA-N -1 0 287.056 2.471 50 0 CEAARM O=C([O-])c1ccn(-c2ccc(Br)cc2)n1 ZINC000034957732 304272636 /nfs/dbraw/zinc/27/26/36/304272636.db2.gz MTGXPAMGZOPOBW-UHFFFAOYSA-N -1 0 267.082 2.333 50 0 CEAARM O=C([O-])c1ccn(COc2ccc(Cl)cc2)n1 ZINC000002535558 304273117 /nfs/dbraw/zinc/27/31/17/304273117.db2.gz WVNZTCDMZYDGSK-UHFFFAOYSA-N -1 0 252.657 2.271 50 0 CEAARM CC(=O)c1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000000544058 169665493 /nfs/dbraw/zinc/66/54/93/169665493.db2.gz FANLHVKFEXRUSN-LBPRGKRZSA-N -1 0 278.308 2.120 50 0 CEAARM O=C([O-])c1n[nH]c2c1[C@H](CCc1ccccc1)CC(=O)N2 ZINC000065460301 304282738 /nfs/dbraw/zinc/28/27/38/304282738.db2.gz FAVZZLPTQKIQGR-SNVBAGLBSA-N -1 0 285.303 2.167 50 0 CEAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1cccs1 ZINC000065364802 304285581 /nfs/dbraw/zinc/28/55/81/304285581.db2.gz FBEAFWJVRGYMHB-YFKPBYRVSA-N -1 0 280.330 2.377 50 0 CEAARM CC(C)n1ccc(C(=O)Nc2ccccc2CC(=O)[O-])n1 ZINC000262478471 131224379 /nfs/dbraw/zinc/22/43/79/131224379.db2.gz KGPPYVXUIXXEOL-UHFFFAOYSA-N -1 0 287.319 2.343 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)[C@H](C)C(=O)[O-] ZINC000263380158 131291268 /nfs/dbraw/zinc/29/12/68/131291268.db2.gz BHSRFKUVMIVEGV-MPKXCIJOSA-N -1 0 297.301 2.294 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)[C@H](C)C(=O)[O-] ZINC000263380160 131291293 /nfs/dbraw/zinc/29/12/93/131291293.db2.gz BHSRFKUVMIVEGV-OINDSLJFSA-N -1 0 297.301 2.294 50 0 CEAARM COc1ccc(C)cc1/C=C\C(=O)N(CC(=O)[O-])C1CC1 ZINC000215294087 394449257 /nfs/dbraw/zinc/44/92/57/394449257.db2.gz IKDGOZRTONZTJX-YWEYNIOJSA-N -1 0 289.331 2.092 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1cccs1 ZINC000096400585 394680691 /nfs/dbraw/zinc/68/06/91/394680691.db2.gz GSFHNGFDRBAFMO-JMEBYUIHSA-N -1 0 265.334 2.227 50 0 CEAARM CC(C)CC(=O)n1c(=O)c2ccccc2[n-]c1=S ZINC000100258282 394703959 /nfs/dbraw/zinc/70/39/59/394703959.db2.gz WASOHPSLHIDKJK-UHFFFAOYSA-N -1 0 262.334 2.372 50 0 CEAARM CC(C)(C)n1cnc(C(=O)Nc2cc(C(=O)[O-])cs2)n1 ZINC000565542635 395475114 /nfs/dbraw/zinc/47/51/14/395475114.db2.gz FJOZPTKJOHWSGI-UHFFFAOYSA-N -1 0 294.336 2.045 50 0 CEAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccsc1 ZINC000263474812 296633868 /nfs/dbraw/zinc/63/38/68/296633868.db2.gz FCOXHBVGZFIJMB-RKDXNWHRSA-N -1 0 253.323 2.073 50 0 CEAARM Cc1cccc([C@H](NC(=O)[C@H]2CC23CC3)C(=O)[O-])c1C ZINC000263161426 154028462 /nfs/dbraw/zinc/02/84/62/154028462.db2.gz IJZOHRXDSVRACH-OLZOCXBDSA-N -1 0 273.332 2.345 50 0 CEAARM C[C@H](C(=O)Nc1ccccc1CC(=O)[O-])C1CCOCC1 ZINC000263249619 154040917 /nfs/dbraw/zinc/04/09/17/154040917.db2.gz HBBYUUWVNBZCNR-NSHDSACASA-N -1 0 291.347 2.315 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H](O)C2CCCCC2)C1 ZINC000263439091 154086483 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293.388 2.420 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)CCOc2ccccc2Cl)C1 ZINC000062117800 362709425 /nfs/dbraw/zinc/70/94/25/362709425.db2.gz IJTKBKCBKUVURA-SNVBAGLBSA-N -1 0 297.738 2.042 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000062912838 362732589 /nfs/dbraw/zinc/73/25/89/362732589.db2.gz IGRYDGARKWIWFO-CQSZACIVSA-N -1 0 281.739 2.206 50 0 CEAARM CCc1c(C)sc2ncnc(N[C@H](C)c3nnn[n-]3)c12 ZINC000065436193 362823186 /nfs/dbraw/zinc/82/31/86/362823186.db2.gz NXFWWWIWWURTSJ-ZCFIWIBFSA-N -1 0 289.368 2.248 50 0 CEAARM C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000606443763 347474260 /nfs/dbraw/zinc/47/42/60/347474260.db2.gz ACSRUWHATFLEFT-UJICNMFASA-N -1 0 265.284 2.066 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000128558499 187377423 /nfs/dbraw/zinc/37/74/23/187377423.db2.gz XIYUHSOLWUBGID-AWEZNQCLSA-N -1 0 287.359 2.333 50 0 CEAARM Cn1cc(Cl)c(-c2nc3cc(C(=O)[O-])ccc3[nH]2)n1 ZINC000067674838 362915658 /nfs/dbraw/zinc/91/56/58/362915658.db2.gz 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274.103 2.431 50 0 CEAARM CCCCCCN1c2ccccc2C(=O)[C@H](C(=O)[O-])C1=O ZINC000002273160 361231128 /nfs/dbraw/zinc/23/11/28/361231128.db2.gz PQRDPNNFGRVLFS-ZDUSSCGKSA-N -1 0 289.331 2.497 50 0 CEAARM CCCCCCN1c2ccccc2C(=O)[C@@H](C(=O)[O-])C1=O ZINC000002273159 361231611 /nfs/dbraw/zinc/23/16/11/361231611.db2.gz PQRDPNNFGRVLFS-CYBMUJFWSA-N -1 0 289.331 2.497 50 0 CEAARM C[C@]12CCC(=O)N1[C@@H](C(=O)[O-])Cc1c3ccccc3[nH]c12 ZINC000002631690 361243331 /nfs/dbraw/zinc/24/33/31/361243331.db2.gz NZDWCAYIVCYIPK-MLGOLLRUSA-N -1 0 284.315 2.015 50 0 CEAARM CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000003351291 361275746 /nfs/dbraw/zinc/27/57/46/361275746.db2.gz DCGRSPGEMDYZGI-JTQLQIEISA-N -1 0 287.768 2.276 50 0 CEAARM CC(C)CCn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000003372942 361277888 /nfs/dbraw/zinc/27/78/88/361277888.db2.gz RBMXIOPIOVVEDT-UHFFFAOYSA-N -1 0 260.293 2.141 50 0 CEAARM COc1ccc2nc([C@@H]3N[C@H](C(=O)[O-])CS3)ccc2c1 ZINC000004000095 361296193 /nfs/dbraw/zinc/29/61/93/361296193.db2.gz 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/nfs/dbraw/zinc/42/08/73/361420873.db2.gz SZXRBINLLOOOQJ-QPJJXVBHSA-N -1 0 289.331 2.032 50 0 CEAARM Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167262 361422444 /nfs/dbraw/zinc/42/24/44/361422444.db2.gz FOLMGSWLRHKXMO-LBPRGKRZSA-N -1 0 291.347 2.086 50 0 CEAARM O=C([O-])c1csc(S(=O)(=O)NC2CCCCC2)c1 ZINC000013305506 361425383 /nfs/dbraw/zinc/42/53/83/361425383.db2.gz VEKRJGYMOXWAQO-UHFFFAOYSA-N -1 0 289.378 2.057 50 0 CEAARM O=S1(=O)C=C([O-])c2sccc2N1Cc1ccccc1 ZINC000013362807 361426692 /nfs/dbraw/zinc/42/66/92/361426692.db2.gz RKYGHIUOUCOIBX-UHFFFAOYSA-N -1 0 293.369 2.281 50 0 CEAARM CCOc1ccc([N-]S(=O)(=O)c2cnn(CC)c2)cc1 ZINC000017023756 361502845 /nfs/dbraw/zinc/50/28/45/361502845.db2.gz FYWIWNQYIPIAJJ-UHFFFAOYSA-N -1 0 295.364 2.103 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1cccs1 ZINC000019439678 361535433 /nfs/dbraw/zinc/53/54/33/361535433.db2.gz GSFHNGFDRBAFMO-XUIVZRPNSA-N -1 0 265.334 2.227 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1cccs1 ZINC000019439676 361536120 /nfs/dbraw/zinc/53/61/20/361536120.db2.gz GSFHNGFDRBAFMO-MLRMMBSGSA-N -1 0 265.334 2.227 50 0 CEAARM CCCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019881464 361564870 /nfs/dbraw/zinc/56/48/70/361564870.db2.gz DIRISFNYMLQNLJ-LLVKDONJSA-N -1 0 293.344 2.014 50 0 CEAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1cccs1 ZINC000023053374 361592155 /nfs/dbraw/zinc/59/21/55/361592155.db2.gz PDTYCQWUFRZOHM-UHFFFAOYSA-N -1 0 279.346 2.425 50 0 CEAARM C[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])Cc1cccc(F)c1 ZINC000237527187 370730105 /nfs/dbraw/zinc/73/01/05/370730105.db2.gz CNCBZILYGHBPKF-SMDDNHRTSA-N -1 0 293.338 2.470 50 0 CEAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237348959 370713916 /nfs/dbraw/zinc/71/39/16/370713916.db2.gz REFVWXLJCSCOTK-SMDDNHRTSA-N -1 0 293.338 2.470 50 0 CEAARM Cc1ccc2nc(C)c(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2c1 ZINC000237898900 370757178 /nfs/dbraw/zinc/75/71/78/370757178.db2.gz GDLDLRZKZLSKRH-LBPRGKRZSA-N -1 0 298.342 2.398 50 0 CEAARM O=C([O-])C1(NC(=O)CCc2cccc(F)c2F)CCC1 ZINC000238080499 370769565 /nfs/dbraw/zinc/76/95/65/370769565.db2.gz GCEDVFKIOAOCKL-UHFFFAOYSA-N -1 0 283.274 2.021 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000238088073 370769631 /nfs/dbraw/zinc/76/96/31/370769631.db2.gz OCFFGJIZLOWOJN-SNVBAGLBSA-N -1 0 292.316 2.092 50 0 CEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238174904 370772432 /nfs/dbraw/zinc/77/24/32/370772432.db2.gz XAKXJAMLKRVHAE-HTQZYQBOSA-N -1 0 285.702 2.174 50 0 CEAARM CC(C)Oc1cccc(CC(=O)N(C)CCCC(=O)[O-])c1 ZINC000095424172 364370770 /nfs/dbraw/zinc/37/07/70/364370770.db2.gz LHQHTGXKSKPNQP-UHFFFAOYSA-N -1 0 293.363 2.340 50 0 CEAARM Cc1ccc2[n-]cc(-c3nc([C@@H]4CCOC4)no3)c(=O)c2c1 ZINC000096136925 364402157 /nfs/dbraw/zinc/40/21/57/364402157.db2.gz ZUQPXQUJVZSAMY-SNVBAGLBSA-N -1 0 297.314 2.390 50 0 CEAARM Cc1ccc([C@@H](C(=O)[O-])N(C)Cc2cnn(C)c2)c(C)c1 ZINC000095359964 364345401 /nfs/dbraw/zinc/34/54/01/364345401.db2.gz XMJPNHQLXIWAKF-HNNXBMFYSA-N -1 0 287.363 2.295 50 0 CEAARM O=S(=O)([N-]c1ncccc1F)c1cccs1 ZINC000097047024 364432682 /nfs/dbraw/zinc/43/26/82/364432682.db2.gz IYYWWISUPFPZHD-UHFFFAOYSA-N -1 0 258.299 2.083 50 0 CEAARM C[C@H](CCC(=O)[O-])NC(=O)C(C)(C)c1cccc(F)c1 ZINC000097039216 364429323 /nfs/dbraw/zinc/42/93/23/364429323.db2.gz CPENKMSNORYCFR-SNVBAGLBSA-N -1 0 281.327 2.473 50 0 CEAARM Cc1n[nH]c(CN2CCC[C@@H](CCC(=O)[O-])C2)c1Cl ZINC000097546649 364509239 /nfs/dbraw/zinc/50/92/39/364509239.db2.gz QXXUTFUKTPWWRH-JTQLQIEISA-N -1 0 285.775 2.448 50 0 CEAARM Cc1cccc(-c2nc(C(C)(C)C)nn2CC(=O)[O-])c1O ZINC000097745230 364518139 /nfs/dbraw/zinc/51/81/39/364518139.db2.gz OSRALPGSXLPLTH-UHFFFAOYSA-N -1 0 289.335 2.341 50 0 CEAARM COc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1OC ZINC000100150688 364541038 /nfs/dbraw/zinc/54/10/38/364541038.db2.gz QYQACDYPMNIAMN-UHFFFAOYSA-N -1 0 276.210 2.408 50 0 CEAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2)c1=O ZINC000100294351 364543641 /nfs/dbraw/zinc/54/36/41/364543641.db2.gz SCIYKTDXFNBCIV-UHFFFAOYSA-N -1 0 294.310 2.496 50 0 CEAARM O=C(Nc1ccc2ccccc2c1)C1=C([O-])COC1=O ZINC000100326772 364545127 /nfs/dbraw/zinc/54/51/27/364545127.db2.gz ZBZZYANZDJUKEG-UHFFFAOYSA-N -1 0 269.256 2.147 50 0 CEAARM O=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[n-]n21 ZINC000100609363 364548039 /nfs/dbraw/zinc/54/80/39/364548039.db2.gz NZRAWLSMQDHKCQ-UHFFFAOYSA-N -1 0 278.271 2.345 50 0 CEAARM CCn1c2ccccc2c([O-])c(C(=O)NCC(C)C)c1=O ZINC000100562556 364548059 /nfs/dbraw/zinc/54/80/59/364548059.db2.gz JFGMNKCERCGUHG-UHFFFAOYSA-N -1 0 288.347 2.113 50 0 CEAARM Cc1nc2[n-]c(C3CCCCC3)nn2c(=O)c1Cl ZINC000101409034 364556480 /nfs/dbraw/zinc/55/64/80/364556480.db2.gz ZQUCHEUXZNKDKK-UHFFFAOYSA-N -1 0 266.732 2.427 50 0 CEAARM CC(C)(C)c1cc(CN2CCCC[C@@H]2C(=O)[O-])[nH]n1 ZINC000244840354 370801660 /nfs/dbraw/zinc/80/16/60/370801660.db2.gz ULIZXSJUTWYZLD-LLVKDONJSA-N -1 0 265.357 2.146 50 0 CEAARM Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC000245264633 370807941 /nfs/dbraw/zinc/80/79/41/370807941.db2.gz DPIYLNBWJWVKMC-XYPYZODXSA-N -1 0 296.392 2.381 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000262043910 304138787 /nfs/dbraw/zinc/13/87/87/304138787.db2.gz ARVNMGPIKZAUMN-YNEHKIRRSA-N -1 0 277.295 2.210 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccco1 ZINC000240407447 304144429 /nfs/dbraw/zinc/14/44/29/304144429.db2.gz FMFZYAAQXTYAHS-AXFHLTTASA-N -1 0 263.293 2.138 50 0 CEAARM C[C@H](CNC(=O)CC(C)(C)c1ccccc1)C(=O)[O-] ZINC000195542073 370139529 /nfs/dbraw/zinc/13/95/29/370139529.db2.gz IXIPJURHUYKYQB-LLVKDONJSA-N -1 0 263.337 2.191 50 0 CEAARM Cc1ccccc1C[C@@H](CNC(=O)c1ccncc1)C(=O)[O-] ZINC000195542137 370139673 /nfs/dbraw/zinc/13/96/73/370139673.db2.gz LVGUZSWULIKRGJ-HNNXBMFYSA-N -1 0 298.342 2.063 50 0 CEAARM CC(C)OCCN(C)C(=O)c1ccc(O)cc1F ZINC000195569765 370142256 /nfs/dbraw/zinc/14/22/56/370142256.db2.gz GHTJLDLYDJYJJR-UHFFFAOYSA-N -1 0 255.289 2.028 50 0 CEAARM CCCc1nsc([N-]C(=O)c2cc(C(=O)OC)co2)n1 ZINC000225584499 370305110 /nfs/dbraw/zinc/30/51/10/370305110.db2.gz ZSUXJSFPLKQYSW-UHFFFAOYSA-N -1 0 295.320 2.123 50 0 CEAARM C[C@@H]1CC[C@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)O1 ZINC000247207369 371077061 /nfs/dbraw/zinc/07/70/61/371077061.db2.gz WRUDHGDTKHMBHS-MRVWCRGKSA-N -1 0 291.347 2.276 50 0 CEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C1CC=CC1 ZINC000069412833 304162580 /nfs/dbraw/zinc/16/25/80/304162580.db2.gz HVAPPKSAHDGWCJ-AWEZNQCLSA-N -1 0 271.316 2.163 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000249379260 371316915 /nfs/dbraw/zinc/31/69/15/371316915.db2.gz OKHWIZZHUHPPJO-RAIGVLPGSA-N -1 0 261.321 2.365 50 0 CEAARM CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000237154206 189865890 /nfs/dbraw/zinc/86/58/90/189865890.db2.gz XEJVVVLWOWXWCT-YUMQZZPRSA-N -1 0 285.702 2.126 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000261692595 371703244 /nfs/dbraw/zinc/70/32/44/371703244.db2.gz CCMQNPIYFHOXPO-VWYCJHECSA-N -1 0 295.285 2.001 50 0 CEAARM COCc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000262217697 371839066 /nfs/dbraw/zinc/83/90/66/371839066.db2.gz YMWIIFBHANYUHU-NSHDSACASA-N -1 0 295.335 2.286 50 0 CEAARM CCc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC000268933152 372292406 /nfs/dbraw/zinc/29/24/06/372292406.db2.gz ZIOYJFAHVRIYTH-SRVKXCTJSA-N -1 0 277.320 2.226 50 0 CEAARM Cc1csc(C2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCCC2)n1 ZINC000268892846 372274588 /nfs/dbraw/zinc/27/45/88/372274588.db2.gz IZXDADJSLMTHGF-VHSXEESVSA-N -1 0 294.376 2.058 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000268897143 372278703 /nfs/dbraw/zinc/27/87/03/372278703.db2.gz KNROZPVYQXRDNP-ZQARSLAVSA-N -1 0 285.702 2.377 50 0 CEAARM C/C(=C\C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000269203271 372376839 /nfs/dbraw/zinc/37/68/39/372376839.db2.gz SEEOOOYAUCLLKZ-ZJNQMXKESA-N -1 0 277.295 2.162 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@H]2CCCc3ccccc32)C1 ZINC000269216518 372381576 /nfs/dbraw/zinc/38/15/76/372381576.db2.gz YFAQAHXMHKCBTF-ZIAGYGMSSA-N -1 0 287.359 2.430 50 0 CEAARM C[C@@H](OCc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037437659 296207508 /nfs/dbraw/zinc/20/75/08/296207508.db2.gz CEOTVWUIPSUTCE-OCCSQVGLSA-N -1 0 291.347 2.057 50 0 CEAARM C[C@@H](S[C@H]1CCc2ccccc2NC1=O)C(=O)[O-] ZINC000013690834 296211929 /nfs/dbraw/zinc/21/19/29/296211929.db2.gz DQLWULMXLZWGCH-KCJUWKMLSA-N -1 0 265.334 2.146 50 0 CEAARM O=C([O-])[C@H]1CCc2cc(Br)ccc2O1 ZINC000012954787 304196543 /nfs/dbraw/zinc/19/65/43/304196543.db2.gz LDOBEICKZURYCC-SECBINFHSA-N -1 0 257.083 2.227 50 0 CEAARM Cc1ccc(O)cc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000312834438 376728312 /nfs/dbraw/zinc/72/83/12/376728312.db2.gz URXMNMFYWBOIMH-LLVKDONJSA-N -1 0 277.320 2.170 50 0 CEAARM Cc1[nH]nc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1Cl ZINC000426424227 377404416 /nfs/dbraw/zinc/40/44/16/377404416.db2.gz IRRISJJAPUGTOV-VIFPVBQESA-N -1 0 299.758 2.231 50 0 CEAARM O=C([O-])CCC1CCN(C(=O)C[C@@H]2CC2(F)F)CC1 ZINC000426415292 377406271 /nfs/dbraw/zinc/40/62/71/377406271.db2.gz HAIOYJWYMDVSER-SNVBAGLBSA-N -1 0 275.295 2.135 50 0 CEAARM O=C([O-])CCC1CCN(C(=O)CSCC2CC2)CC1 ZINC000426470777 377408591 /nfs/dbraw/zinc/40/85/91/377408591.db2.gz DBTDRERWTMTUMB-UHFFFAOYSA-N -1 0 285.409 2.233 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1C=CCC1 ZINC000019510258 304206447 /nfs/dbraw/zinc/20/64/47/304206447.db2.gz QZRZGYNCJALZOY-IUODEOHRSA-N -1 0 285.343 2.381 50 0 CEAARM CN(CCC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000299750379 379126975 /nfs/dbraw/zinc/12/69/75/379126975.db2.gz NHORRHGAGGURMW-MNOVXSKESA-N -1 0 281.739 2.377 50 0 CEAARM O=C([O-])c1ccc(-n2cc(NC(=O)c3ccoc3)cn2)cc1 ZINC000299768360 379132585 /nfs/dbraw/zinc/13/25/85/379132585.db2.gz MTARSDQBCNUKDN-UHFFFAOYSA-N -1 0 297.270 2.416 50 0 CEAARM O=C([O-])c1ccc(Br)nc1Br ZINC000039192919 304232830 /nfs/dbraw/zinc/23/28/30/304232830.db2.gz JOASPXJXGMCEOX-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]3CCC[C@H]32)o1 ZINC000132797336 304234057 /nfs/dbraw/zinc/23/40/57/304234057.db2.gz HSBJKGXBPKEWLU-NXEZZACHSA-N -1 0 263.293 2.383 50 0 CEAARM O=C([O-])c1ccc(C(=O)N2CCCSCC2)s1 ZINC000042445198 304233933 /nfs/dbraw/zinc/23/39/33/304233933.db2.gz XQONADYLQFMRFT-UHFFFAOYSA-N -1 0 271.363 2.025 50 0 CEAARM CC(=O)Nc1cc(NC(=O)CCCC(=O)[O-])ccc1Cl ZINC000000451746 169644146 /nfs/dbraw/zinc/64/41/46/169644146.db2.gz AKCOJTGSZCGGBO-UHFFFAOYSA-N -1 0 298.726 2.492 50 0 CEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003855733 304248282 /nfs/dbraw/zinc/24/82/82/304248282.db2.gz JZAGNXODGTUSSL-UHFFFAOYSA-N -1 0 295.291 2.325 50 0 CEAARM O=C([O-])c1ccnc(Br)c1Br ZINC000016124325 304272908 /nfs/dbraw/zinc/27/29/08/304272908.db2.gz ICISUZSRQHUJKX-UHFFFAOYSA-N -1 0 280.903 2.305 50 0 CEAARM O=C([O-])c1cn2cc(Cl)cc(Br)c2n1 ZINC000015020363 304274621 /nfs/dbraw/zinc/27/46/21/304274621.db2.gz MVFTVGMWGOEQDV-UHFFFAOYSA-N -1 0 275.489 2.448 50 0 CEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC=CC1 ZINC000262121232 131192636 /nfs/dbraw/zinc/19/26/36/131192636.db2.gz KRDHJNCXUZUCJB-HNNXBMFYSA-N -1 0 298.342 2.246 50 0 CEAARM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C1CCC1 ZINC000262399432 131217758 /nfs/dbraw/zinc/21/77/58/131217758.db2.gz NMCZJEGAGNXKFH-LLVKDONJSA-N -1 0 261.321 2.288 50 0 CEAARM CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]2C1 ZINC000018209641 394468193 /nfs/dbraw/zinc/46/81/93/394468193.db2.gz WLWQYSFAQFCNQM-STQMWFEESA-N -1 0 285.299 2.231 50 0 CEAARM O=C([O-])CCCN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000172067534 395100570 /nfs/dbraw/zinc/10/05/70/395100570.db2.gz BZNQQSZJCJEDKG-CYBMUJFWSA-N -1 0 267.300 2.064 50 0 CEAARM Cc1nnc(SC/C=C\c2ccccc2)[n-]c1=O ZINC000103078751 400256590 /nfs/dbraw/zinc/25/65/90/400256590.db2.gz OUFVFIVQKHYSCP-YVMONPNESA-N -1 0 259.334 2.279 50 0 CEAARM CCc1noc(-c2c([O-])c3ccccc3n(CC)c2=O)n1 ZINC000101725390 400252733 /nfs/dbraw/zinc/25/27/33/400252733.db2.gz RHOBYYGSWRYHMH-UHFFFAOYSA-N -1 0 285.303 2.339 50 0 CEAARM COCCC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000062851336 292298976 /nfs/dbraw/zinc/29/89/76/292298976.db2.gz MNZDYFMMBHCLPD-UHFFFAOYSA-N -1 0 287.356 2.125 50 0 CEAARM CC[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000263223735 154038280 /nfs/dbraw/zinc/03/82/80/154038280.db2.gz PPNHMSDSMJKRMU-CHWSQXEVSA-N -1 0 277.320 2.072 50 0 CEAARM COc1ccc2nc(N(C)C[C@H](C)C(=O)[O-])c(C)nc2c1 ZINC000263569368 154128843 /nfs/dbraw/zinc/12/88/43/154128843.db2.gz ZIZDTEBWCBZAKB-VIFPVBQESA-N -1 0 289.335 2.104 50 0 CEAARM Cc1ccc(C)c(CN(C)C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000263583163 154133451 /nfs/dbraw/zinc/13/34/51/154133451.db2.gz ZOCMJIQOZPLTGE-UHFFFAOYSA-N -1 0 299.330 2.064 50 0 CEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000003107914 169856773 /nfs/dbraw/zinc/85/67/73/169856773.db2.gz UZHPOGNUABYTQQ-IUCAKERBSA-N -1 0 293.266 2.373 50 0 CEAARM CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003239688 169870655 /nfs/dbraw/zinc/87/06/55/169870655.db2.gz FZMXUJANQDCASA-SNVBAGLBSA-N -1 0 287.768 2.276 50 0 CEAARM O=S(=O)([O-])c1nc2ccccc2n1-c1ccccc1 ZINC000004115370 169934338 /nfs/dbraw/zinc/93/43/38/169934338.db2.gz ZPZMSBNVTPNGHW-UHFFFAOYSA-N -1 0 274.301 2.272 50 0 CEAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000004884310 170036317 /nfs/dbraw/zinc/03/63/17/170036317.db2.gz ZUYZRDACJDDZPA-UHFFFAOYSA-N -1 0 296.348 2.409 50 0 CEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000006725903 170232816 /nfs/dbraw/zinc/23/28/16/170232816.db2.gz MQNPHUAOQXOKQO-NXEZZACHSA-N -1 0 280.711 2.341 50 0 CEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000006731380 170235639 /nfs/dbraw/zinc/23/56/39/170235639.db2.gz YTFMZNHYPGNQJQ-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM O=C([O-])CCCC(=O)Nc1ccnn1Cc1ccccc1 ZINC000006880608 170252075 /nfs/dbraw/zinc/25/20/75/170252075.db2.gz LPQLCDFCJBEGRN-UHFFFAOYSA-N -1 0 287.319 2.125 50 0 CEAARM CC(C)(C)C(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000019853627 170898296 /nfs/dbraw/zinc/89/82/96/170898296.db2.gz NKHSKWPGOPOGGZ-UHFFFAOYSA-N -1 0 298.389 2.398 50 0 CEAARM COc1ccc(OCc2c(C)onc2C(=O)[O-])cc1 ZINC000020315267 171146372 /nfs/dbraw/zinc/14/63/72/171146372.db2.gz CZSXZFGMQBPXEX-UHFFFAOYSA-N -1 0 263.249 2.269 50 0 CEAARM O=C([O-])c1cccc(CN2C(=S)N=NC2C2CC2)c1 ZINC000020745228 171271337 /nfs/dbraw/zinc/27/13/37/171271337.db2.gz MZJCFGZSKAFTCT-UHFFFAOYSA-N -1 0 275.333 2.191 50 0 CEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC1 ZINC000022147893 171357097 /nfs/dbraw/zinc/35/70/97/171357097.db2.gz MMIPPCWTGQKNSI-AWEZNQCLSA-N -1 0 286.331 2.080 50 0 CEAARM COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)[O-])cc1 ZINC000022170879 171368108 /nfs/dbraw/zinc/36/81/08/171368108.db2.gz GZLQCTLGNXVLKQ-FMIVXFBMSA-N -1 0 287.271 2.144 50 0 CEAARM Cc1nc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cs1 ZINC000037430542 173201372 /nfs/dbraw/zinc/20/13/72/173201372.db2.gz FRHWMCTVHCFWLK-UHFFFAOYSA-N -1 0 276.317 2.331 50 0 CEAARM COc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)ccc1C ZINC000037561288 173271030 /nfs/dbraw/zinc/27/10/30/173271030.db2.gz VQTFYVRQLQUIFH-UHFFFAOYSA-N -1 0 291.347 2.377 50 0 CEAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1C ZINC000043583884 175070460 /nfs/dbraw/zinc/07/04/60/175070460.db2.gz ODIFVTRCSODTIL-LBPRGKRZSA-N -1 0 278.352 2.051 50 0 CEAARM Cc1ccccc1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000051966957 175529417 /nfs/dbraw/zinc/52/94/17/175529417.db2.gz PDEWTNXHLDMSTK-CQSZACIVSA-N -1 0 275.348 2.393 50 0 CEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N=c1[nH]c2ccccc2s1 ZINC000071280435 176108792 /nfs/dbraw/zinc/10/87/92/176108792.db2.gz GNOPELTXPIOQHW-NXEZZACHSA-N -1 0 290.344 2.014 50 0 CEAARM Cc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)nn1C(C)C ZINC000071282048 176108936 /nfs/dbraw/zinc/10/89/36/176108936.db2.gz UBURAZSNRVVFAM-GHMZBOCLSA-N -1 0 279.340 2.068 50 0 CEAARM O=C([O-])Cc1ccc(-c2cccc3ccnn32)nc1 ZINC000072165678 176331115 /nfs/dbraw/zinc/33/11/15/176331115.db2.gz NPNKPZUHSJHDBB-UHFFFAOYSA-N -1 0 253.261 2.023 50 0 CEAARM Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000072272837 176355249 /nfs/dbraw/zinc/35/52/49/176355249.db2.gz QKONRFYEUIZGKM-OAHLLOKOSA-N -1 0 298.342 2.265 50 0 CEAARM O=C([O-])c1cc(Nc2nc3ccccc3c(=O)[nH]2)ccc1O ZINC000073647929 176482099 /nfs/dbraw/zinc/48/20/99/176482099.db2.gz OQTLTWCFPIJXSP-UHFFFAOYSA-N -1 0 297.270 2.071 50 0 CEAARM CC(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2 ZINC000000330649 278215157 /nfs/dbraw/zinc/21/51/57/278215157.db2.gz RTHVEKVHVWWBDC-UHFFFAOYSA-N -1 0 269.322 2.256 50 0 CEAARM CC(C)OCCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000236787878 279659127 /nfs/dbraw/zinc/65/91/27/279659127.db2.gz MKDSCUUHPBMXSR-AGIUHOORSA-N -1 0 283.368 2.046 50 0 CEAARM COc1ccc2c(c1)CC[C@]1(C)C2=C(C(=O)[O-])C[C@H]1O ZINC000071772689 295260163 /nfs/dbraw/zinc/26/01/63/295260163.db2.gz RSTJGRJBZMPYSF-CJNGLKHVSA-N -1 0 274.316 2.251 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000062913996 297882132 /nfs/dbraw/zinc/88/21/32/297882132.db2.gz ZKGBMHRJMJMLLU-WMLDXEAASA-N -1 0 287.359 2.430 50 0 CEAARM O=C(c1ccccc1)[C@H]1CCCC[C@@H]1S(=O)(=O)[O-] ZINC000002924365 304564070 /nfs/dbraw/zinc/56/40/70/304564070.db2.gz RWFMTWAQMCUUHN-RYUDHWBXSA-N -1 0 268.334 2.316 50 0 CEAARM O=Cc1c2cc(Br)ccc2[nH]c1C(=O)[O-] ZINC000020272878 304724630 /nfs/dbraw/zinc/72/46/30/304724630.db2.gz DIMABAGHZDTXQF-UHFFFAOYSA-N -1 0 268.066 2.441 50 0 CEAARM Cc1ccc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc1 ZINC000013639014 301809159 /nfs/dbraw/zinc/80/91/59/301809159.db2.gz NXSIUBVKCPDWHG-LLVKDONJSA-N -1 0 297.310 2.294 50 0 CEAARM Cc1ccncc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262300255 302288647 /nfs/dbraw/zinc/28/86/47/302288647.db2.gz AGAZKLDANYPWJR-XBFCOCLRSA-N -1 0 288.347 2.248 50 0 CEAARM Cc1nc2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2s1 ZINC000044979013 302663583 /nfs/dbraw/zinc/66/35/83/302663583.db2.gz OHVLECXYJROJHZ-QMMMGPOBSA-N -1 0 276.317 2.042 50 0 CEAARM Cc1nn(C)c2ncc(C(=O)[O-])c(SC(C)C)c12 ZINC000000125222 302791655 /nfs/dbraw/zinc/79/16/55/302791655.db2.gz DILQJRLBSNTBOX-UHFFFAOYSA-N -1 0 265.338 2.475 50 0 CEAARM Cc1occc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000094743908 302875881 /nfs/dbraw/zinc/87/58/81/302875881.db2.gz YDNCHYZAIUWGOA-NWDGAFQWSA-N -1 0 265.309 2.351 50 0 CEAARM Cn1cc2c(n1)nc(SCC(=O)[O-])cc2C(F)(F)F ZINC000012398349 302947035 /nfs/dbraw/zinc/94/70/35/302947035.db2.gz FOHRLKUYCDTKES-UHFFFAOYSA-N -1 0 291.254 2.164 50 0 CEAARM Cn1nccc1-c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000534590836 328318168 /nfs/dbraw/zinc/31/81/68/328318168.db2.gz FNLDAUBSTQFSPE-UHFFFAOYSA-N -1 0 258.277 2.135 50 0 CEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C=C(C2CC2)C2CC2)C1 ZINC000269023287 330067538 /nfs/dbraw/zinc/06/75/38/330067538.db2.gz JFULTPFZPDPLIS-OAHLLOKOSA-N -1 0 263.337 2.056 50 0 CEAARM CC(C)(C)c1ncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000236640654 519109743 /nfs/dbraw/zinc/10/97/43/519109743.db2.gz MOHOWIIWXNIRKJ-CQSZACIVSA-N -1 0 296.392 2.377 50 0 CEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000097017965 534500461 /nfs/dbraw/zinc/50/04/61/534500461.db2.gz DIODKZSMPYVMGO-UONOGXRCSA-N -1 0 299.326 2.497 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC[C@@H]1CCCO1 ZINC000221721478 526290087 /nfs/dbraw/zinc/29/00/87/526290087.db2.gz PPNACKQKFHGRMB-XUXIUFHCSA-N -1 0 295.379 2.190 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)C[C@H](C)n1cccc1)C(=O)[O-] ZINC000096479983 529252040 /nfs/dbraw/zinc/25/20/40/529252040.db2.gz GNHLVMWNWQIUOM-GVXVVHGQSA-N -1 0 266.341 2.055 50 0 CEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000584908389 601253990 /nfs/dbraw/zinc/25/39/90/601253990.db2.gz MHTSBSRVMIPCPG-ILXRZTDVSA-N -1 0 285.343 2.071 50 0 CEAARM C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000668283491 623035707 /nfs/dbraw/zinc/03/57/07/623035707.db2.gz RENMXVYAYMWXLW-IONNQARKSA-N -1 0 269.322 2.200 50 0 CEAARM Cc1ccc(C(=O)CSc2nc([O-])cc(=O)[nH]2)cc1C ZINC000004853078 628719948 /nfs/dbraw/zinc/71/99/48/628719948.db2.gz ZQADYOHJDRDQLZ-UHFFFAOYSA-N -1 0 290.344 2.067 50 0 CEAARM O=C([O-])Cc1csc(NC(=O)/C=C\c2ccsc2)n1 ZINC000766812987 640916239 /nfs/dbraw/zinc/91/62/39/640916239.db2.gz DBSHAKDLVZMKFW-UPHRSURJSA-N -1 0 294.357 2.484 50 0 CEAARM CC(=O)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133980251 652752155 /nfs/dbraw/zinc/75/21/55/652752155.db2.gz HNFOFFXTNBGNMY-JTQLQIEISA-N -1 0 273.329 2.114 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000096494261 230383468 /nfs/dbraw/zinc/38/34/68/230383468.db2.gz WUVJXCXYLVHMCH-HRDYMLBCSA-N -1 0 299.729 2.420 50 0 CEAARM C[C@](NC(=O)CCc1cc(F)ccc1F)(C(=O)[O-])C1CC1 ZINC000096494282 230383618 /nfs/dbraw/zinc/38/36/18/230383618.db2.gz GNAPFNJPGYGORA-OAHLLOKOSA-N -1 0 297.301 2.267 50 0 CEAARM O=C([O-])C1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000095509312 185001019 /nfs/dbraw/zinc/00/10/19/185001019.db2.gz UDJLYLSCOLLBSK-AWEZNQCLSA-N -1 0 287.359 2.430 50 0 CEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC000095961804 185044475 /nfs/dbraw/zinc/04/44/75/185044475.db2.gz HSFTXXXOBRFEKQ-CHWSQXEVSA-N -1 0 284.315 2.218 50 0 CEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC000095961738 185045084 /nfs/dbraw/zinc/04/50/84/185045084.db2.gz ZFXKUWWQAVPYDK-DTWKUNHWSA-N -1 0 267.712 2.323 50 0 CEAARM CCc1nc([N-]S(=O)(=O)c2ccccc2Cl)no1 ZINC000095994131 185059766 /nfs/dbraw/zinc/05/97/66/185059766.db2.gz MNVLEBLTTJMMAN-UHFFFAOYSA-N -1 0 287.728 2.086 50 0 CEAARM C[C@@H](Nc1c(-c2ccncc2)nc2ccccn21)C(=O)[O-] ZINC000032918408 361766168 /nfs/dbraw/zinc/76/61/68/361766168.db2.gz FBNFEBQRFNEOPH-SNVBAGLBSA-N -1 0 282.303 2.281 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000034772408 361794830 /nfs/dbraw/zinc/79/48/30/361794830.db2.gz BARCAQQBDOOISH-SREVYHEPSA-N -1 0 259.305 2.023 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000096793844 185114689 /nfs/dbraw/zinc/11/46/89/185114689.db2.gz KZKYAAHXELATLZ-QDZRJHCZSA-N -1 0 277.295 2.162 50 0 CEAARM CS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000036893864 361867854 /nfs/dbraw/zinc/86/78/54/361867854.db2.gz ODSUNGPMHBSXNU-UHFFFAOYSA-N -1 0 269.105 2.095 50 0 CEAARM CN(CC(F)(F)F)C(=O)c1cccc(C(=O)[O-])c1 ZINC000037665402 361919897 /nfs/dbraw/zinc/91/98/97/361919897.db2.gz CVSOHUWBJGBOSN-UHFFFAOYSA-N -1 0 261.199 2.019 50 0 CEAARM C[C@H](CNC(=O)C[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000097018670 185153088 /nfs/dbraw/zinc/15/30/88/185153088.db2.gz NRXNTYNJGWARBZ-NXEZZACHSA-N -1 0 267.300 2.156 50 0 CEAARM Cc1cc(F)cc(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000097018885 185153269 /nfs/dbraw/zinc/15/32/69/185153269.db2.gz GNYVNNKQTPDEKR-UHFFFAOYSA-N -1 0 277.251 2.355 50 0 CEAARM O=C(CC1CCCC1)NC1CCC(C(=O)[O-])CC1 ZINC000037870756 361957994 /nfs/dbraw/zinc/95/79/94/361957994.db2.gz ZQTOWMUIHYMGML-UHFFFAOYSA-N -1 0 253.342 2.326 50 0 CEAARM CN(CCC(=O)[O-])C(=O)c1ccccc1C(F)(F)F ZINC000037931227 361964960 /nfs/dbraw/zinc/96/49/60/361964960.db2.gz UDQFHQVJHLWWSN-UHFFFAOYSA-N -1 0 275.226 2.252 50 0 CEAARM CCc1c2ccccc2[nH]c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000426478097 529498683 /nfs/dbraw/zinc/49/86/83/529498683.db2.gz WEWAKFOKFZYYHQ-AOOOYVTPSA-N -1 0 286.331 2.323 50 0 CEAARM O=C([O-])COc1ncc(C(F)(F)F)cc1Cl ZINC000043220521 362139771 /nfs/dbraw/zinc/13/97/71/362139771.db2.gz KSOSHSKOOHNGKW-UHFFFAOYSA-N -1 0 255.579 2.217 50 0 CEAARM O=C(NCc1ccon1)c1ccc2[n-]c(=S)oc2c1 ZINC000082994403 539376449 /nfs/dbraw/zinc/37/64/49/539376449.db2.gz HENWMZDUHLFMSL-UHFFFAOYSA-N -1 0 275.289 2.408 50 0 CEAARM CC(C)c1nc(CN2CCC[C@@H]2C(=O)[O-])cs1 ZINC000049277269 362350989 /nfs/dbraw/zinc/35/09/89/362350989.db2.gz SHFFTIMVORFTOJ-SNVBAGLBSA-N -1 0 254.355 2.316 50 0 CEAARM O=C(N[C@@H]1CCCCC[C@@H]1CO)c1cc(F)c([O-])c(F)c1 ZINC000097377215 344245291 /nfs/dbraw/zinc/24/52/91/344245291.db2.gz DODXLJAEKWHRKJ-NOZJJQNGSA-N -1 0 299.317 2.341 50 0 CEAARM C[C@]12C(=O)N(c3ccccc3C(=O)[O-])C(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000230293140 344572524 /nfs/dbraw/zinc/57/25/24/344572524.db2.gz YVSRNXBYRZALSN-JRUYNEJOSA-N -1 0 297.310 2.086 50 0 CEAARM CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000212585710 344532092 /nfs/dbraw/zinc/53/20/92/344532092.db2.gz ORCQJVHHEVXFRG-ZDUSSCGKSA-N -1 0 276.336 2.198 50 0 CEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccoc1 ZINC000050921240 362422974 /nfs/dbraw/zinc/42/29/74/362422974.db2.gz FDJWWEDTOYPLSK-LLVKDONJSA-N -1 0 251.282 2.139 50 0 CEAARM Cc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000050921597 362423882 /nfs/dbraw/zinc/42/38/82/362423882.db2.gz OUBXUPICGPTJEA-LLVKDONJSA-N -1 0 265.309 2.448 50 0 CEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1cnn(-c2ccccc2)c1 ZINC000585134276 345006285 /nfs/dbraw/zinc/00/62/85/345006285.db2.gz KTNGKZAXWVJQGF-NSHDSACASA-N -1 0 287.319 2.312 50 0 CEAARM C[C@@H](CNC(=O)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000054310766 362527707 /nfs/dbraw/zinc/52/77/07/362527707.db2.gz VWELOJTVKKBWSW-JTQLQIEISA-N -1 0 261.321 2.016 50 0 CEAARM CO[C@H]1CCC[C@@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000128339731 187364782 /nfs/dbraw/zinc/36/47/82/187364782.db2.gz QGDLJPOQZXVPOL-ONGXEEELSA-N -1 0 292.360 2.414 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccc3ncccc3c2)CCCC1 ZINC000061411638 362680311 /nfs/dbraw/zinc/68/03/11/362680311.db2.gz MYGVSROGWNMZBJ-UHFFFAOYSA-N -1 0 284.315 2.362 50 0 CEAARM CC(C)SCc1nc(-c2ccncc2)nn1CC(=O)[O-] ZINC000097773059 185666221 /nfs/dbraw/zinc/66/62/21/185666221.db2.gz DFUMYIVUGYNJBO-UHFFFAOYSA-N -1 0 292.364 2.066 50 0 CEAARM CCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)o1 ZINC000061608955 362683794 /nfs/dbraw/zinc/68/37/94/362683794.db2.gz OQEHDNVMMGHNIO-ZDUSSCGKSA-N -1 0 287.315 2.440 50 0 CEAARM COc1ccccc1/C=C/C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062913753 362734177 /nfs/dbraw/zinc/73/41/77/362734177.db2.gz RKJHMOLBMWOUFO-WAVCKPEOSA-N -1 0 289.331 2.032 50 0 CEAARM Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1Cl ZINC000063021263 362745508 /nfs/dbraw/zinc/74/55/08/362745508.db2.gz GUWFHYBTPONJTM-SECBINFHSA-N -1 0 269.728 2.441 50 0 CEAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1CCC(C)C ZINC000100128287 185706195 /nfs/dbraw/zinc/70/61/95/185706195.db2.gz NTEMOYDGSBGTAZ-UHFFFAOYSA-N -1 0 288.273 2.333 50 0 CEAARM Cc1cc([C@@H]2CCCN2Cc2ncccc2C(=O)[O-])on1 ZINC000065374377 362812217 /nfs/dbraw/zinc/81/22/17/362812217.db2.gz SSIOMYARXNNPHW-ZDUSSCGKSA-N -1 0 287.319 2.413 50 0 CEAARM COc1ccc(/C(C)=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000606441279 347473308 /nfs/dbraw/zinc/47/33/08/347473308.db2.gz DMOLHDCGICPTGO-PRWOLLLXSA-N -1 0 289.331 2.032 50 0 CEAARM O=C([O-])[C@@H](CO)n1cnc(-c2ccccc2)c1-c1ccoc1 ZINC000091602948 180202913 /nfs/dbraw/zinc/20/29/13/180202913.db2.gz KXYDJDFBPUDGPW-CYBMUJFWSA-N -1 0 298.298 2.428 50 0 CEAARM CCCc1nnc(N2C[C@@H](CCC)[C@H](C(=O)[O-])C2)s1 ZINC000091713104 180231234 /nfs/dbraw/zinc/23/12/34/180231234.db2.gz FLYQOGWUOYPTMY-NXEZZACHSA-N -1 0 283.397 2.428 50 0 CEAARM O=c1cc(-c2nc(-c3cccnn3)no2)[n-]c2ccccc12 ZINC000091847143 180270536 /nfs/dbraw/zinc/27/05/36/180270536.db2.gz HXEWNXSSVVUBOB-UHFFFAOYSA-N -1 0 291.270 2.035 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1cnn(C(C)(C)C)c1C)C(=O)[O-] ZINC000130471397 365960479 /nfs/dbraw/zinc/96/04/79/365960479.db2.gz PYSTZMHMNNXZKE-CABZTGNLSA-N -1 0 295.383 2.176 50 0 CEAARM O=C([O-])CCCCCNC(=O)CC[C@@H]1CCCCO1 ZINC000069384638 362964568 /nfs/dbraw/zinc/96/45/68/362964568.db2.gz SBMYDCVYGMUDQC-LBPRGKRZSA-N -1 0 271.357 2.097 50 0 CEAARM Cc1nc(CN(C)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000108656779 186226324 /nfs/dbraw/zinc/22/63/24/186226324.db2.gz GPPSHETWCAMSOX-QWRGUYRKSA-N -1 0 296.392 2.301 50 0 CEAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccccc2Cl)c1C ZINC000069570161 362981478 /nfs/dbraw/zinc/98/14/78/362981478.db2.gz RARZSISHLNKAIR-UHFFFAOYSA-N -1 0 299.783 2.491 50 0 CEAARM CCC(CC)C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000069779629 363000681 /nfs/dbraw/zinc/00/06/81/363000681.db2.gz SOACAUNTKJYHLH-UHFFFAOYSA-N -1 0 283.393 2.111 50 0 CEAARM Cn1ccc2ccc(C(=O)N[C@@H](CC3CC3)C(=O)[O-])cc21 ZINC000630158160 351643006 /nfs/dbraw/zinc/64/30/06/351643006.db2.gz NAULJUJLIQPZPB-ZDUSSCGKSA-N -1 0 286.331 2.161 50 0 CEAARM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)[C@H](C)O1 ZINC000630158769 351643013 /nfs/dbraw/zinc/64/30/13/351643013.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000000030981 361117764 /nfs/dbraw/zinc/11/77/64/361117764.db2.gz PJKGKLPRSSNDFO-UHFFFAOYSA-N -1 0 277.349 2.203 50 0 CEAARM O=S(=O)([N-]c1cccnc1)c1ccc(F)cc1 ZINC000000038958 361120483 /nfs/dbraw/zinc/12/04/83/361120483.db2.gz HXKWBTXSCLJLDU-UHFFFAOYSA-N -1 0 252.270 2.022 50 0 CEAARM C[C@H]1CCc2cc(F)cc3c(=O)c(C(=O)[O-])cn1c23 ZINC000000000315 361116050 /nfs/dbraw/zinc/11/60/50/361116050.db2.gz DPSPPJIUMHPXMA-ZETCQYMHSA-N -1 0 261.252 2.346 50 0 world CEAARM O=C([O-])C[C@@H]1SC(c2cccc(Cl)c2)=NC1=O ZINC000000151294 361136146 /nfs/dbraw/zinc/13/61/46/361136146.db2.gz FHLYYJKNYWPGNE-QMMMGPOBSA-N -1 0 269.709 2.203 50 0 CEAARM Cn1cc(C(=O)c2ccccc2)cc1/C=C/C(=O)[O-] ZINC000000166366 361139171 /nfs/dbraw/zinc/13/91/71/361139171.db2.gz UNTMSWHXFUXDFN-BQYQJAHWSA-N -1 0 255.273 2.354 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000170425 361139841 /nfs/dbraw/zinc/13/98/41/361139841.db2.gz FGLQAKJRFPNIJT-UHFFFAOYSA-N -1 0 267.712 2.277 50 0 CEAARM C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000000329729 361161621 /nfs/dbraw/zinc/16/16/21/361161621.db2.gz QGOLQRHBIUSBRQ-LBPRGKRZSA-N -1 0 283.327 2.408 50 0 CEAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000000249392 361152217 /nfs/dbraw/zinc/15/22/17/361152217.db2.gz VGMPZUWIMVYLII-UHFFFAOYSA-N -1 0 297.357 2.336 50 0 CEAARM O=S(=O)([N-]c1cccc(F)c1)c1cccnc1 ZINC000000428255 361173279 /nfs/dbraw/zinc/17/32/79/361173279.db2.gz GONIYEANFDGRIX-UHFFFAOYSA-N -1 0 252.270 2.022 50 0 CEAARM COc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000000448745 361176052 /nfs/dbraw/zinc/17/60/52/361176052.db2.gz PPKAIFDXEVAHPC-CHWSQXEVSA-N -1 0 275.304 2.301 50 0 CEAARM COc1cccc(OCC(=O)c2ccc(O)cc2O)c1 ZINC000000487101 361179897 /nfs/dbraw/zinc/17/98/97/361179897.db2.gz ZCHQGGGXYNOBNW-UHFFFAOYSA-N -1 0 274.272 2.368 50 0 CEAARM O=C1[N-]C(=O)[C@H](Nc2ccc(Br)cc2)S1 ZINC000000969688 361194149 /nfs/dbraw/zinc/19/41/49/361194149.db2.gz VOERHJCIEAUQPY-MRVPVSSYSA-N -1 0 287.138 2.170 50 0 CEAARM O=C([O-])CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O ZINC000000966738 361194308 /nfs/dbraw/zinc/19/43/08/361194308.db2.gz XXDBEXHBCCCONV-UITAMQMPSA-N -1 0 297.719 2.461 50 0 CEAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccc(Cl)cc1 ZINC000000971788 361194466 /nfs/dbraw/zinc/19/44/66/361194466.db2.gz BPVNRBNPQQSOGY-MRVPVSSYSA-N -1 0 284.724 2.020 50 0 CEAARM COc1ccc2c(c1)[C@@H]([N-]C(=O)C(F)(F)F)CC2=O ZINC000001384225 361202155 /nfs/dbraw/zinc/20/21/55/361202155.db2.gz CFPKKCPREADDCE-VIFPVBQESA-N -1 0 273.210 2.001 50 0 CEAARM O=C([O-])c1cccc(-n2cccc2/C=C/[N+](=O)[O-])c1 ZINC000000361515 361165297 /nfs/dbraw/zinc/16/52/97/361165297.db2.gz CYNCWVWKWZDOOE-SOFGYWHQSA-N -1 0 258.233 2.423 50 0 CEAARM Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002412802 361234467 /nfs/dbraw/zinc/23/44/67/361234467.db2.gz YLOIVAYOFFVRTA-ZDUSSCGKSA-N -1 0 278.352 2.294 50 0 CEAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000002455243 361235674 /nfs/dbraw/zinc/23/56/74/361235674.db2.gz 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/nfs/dbraw/zinc/10/30/02/304103002.db2.gz WAOGGHNQBLVDFR-RYUDHWBXSA-N -1 0 291.372 2.342 50 0 CEAARM Cn1c2ccccc2nc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008417391 361342802 /nfs/dbraw/zinc/34/28/02/361342802.db2.gz RPPWFHKLVASLTN-WDEREUQCSA-N -1 0 299.330 2.179 50 0 CEAARM CC[C@H](C)n1c2ccccc2nc1S(=O)(=O)[O-] ZINC000006366387 361336232 /nfs/dbraw/zinc/33/62/32/361336232.db2.gz YKFFZGDBXRTQIS-QMMMGPOBSA-N -1 0 254.311 2.254 50 0 CEAARM O=C([O-])c1ccc(-n2ncc3ccccc3c2=O)cc1 ZINC000011919556 361368834 /nfs/dbraw/zinc/36/88/34/361368834.db2.gz OQMJTTODFHRUPH-UHFFFAOYSA-N -1 0 266.256 2.084 50 0 CEAARM CCCCNC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000010473042 361351765 /nfs/dbraw/zinc/35/17/65/361351765.db2.gz HQXQBECLAYBWRF-UHFFFAOYSA-N -1 0 292.335 2.020 50 0 CEAARM O=C([O-])Cc1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000011830791 361365097 /nfs/dbraw/zinc/36/50/97/361365097.db2.gz NELLHTACXPMELU-UHFFFAOYSA-N -1 0 277.301 2.208 50 0 CEAARM Cc1noc(CSc2ccccc2C(=O)[O-])n1 ZINC000012505443 361387153 /nfs/dbraw/zinc/38/71/53/361387153.db2.gz WFLUGXMHODPLGU-UHFFFAOYSA-N -1 0 250.279 2.369 50 0 CEAARM CCn1nc(C)c(-c2cc(C(=O)[O-])c3cnn(C)c3n2)c1C ZINC000012394553 361381259 /nfs/dbraw/zinc/38/12/59/361381259.db2.gz RQJBBPXSMBEPIX-UHFFFAOYSA-N -1 0 299.334 2.167 50 0 CEAARM C[C@H]([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC000012649068 361394958 /nfs/dbraw/zinc/39/49/58/361394958.db2.gz URADCGNNXPUQAP-PHDIDXHHSA-N -1 0 271.235 2.163 50 0 CEAARM CCCCS(=O)(=O)[N-]c1ccccc1C(=O)OC ZINC000013323033 361424462 /nfs/dbraw/zinc/42/44/62/361424462.db2.gz QATJOGBKMNQUBL-UHFFFAOYSA-N -1 0 271.338 2.015 50 0 CEAARM C[C@H]1CCCN(C(=O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000013035026 361417115 /nfs/dbraw/zinc/41/71/15/361417115.db2.gz BGAVLJLUFTZMAZ-NSHDSACASA-N -1 0 277.320 2.022 50 0 CEAARM CC(C)(C)OC(=O)NCc1ccccc1CC(=O)[O-] ZINC000014632611 361459385 /nfs/dbraw/zinc/45/93/85/361459385.db2.gz CGPQRFCFBISLKF-UHFFFAOYSA-N -1 0 265.309 2.338 50 0 CEAARM CSc1nnc(Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000016806897 361498033 /nfs/dbraw/zinc/49/80/33/361498033.db2.gz FCCIBXCBBJFYOX-UHFFFAOYSA-N -1 0 251.286 2.029 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1)C(=O)[O-] ZINC000019979246 361573147 /nfs/dbraw/zinc/57/31/47/361573147.db2.gz VMAWZJOUXUJGCY-ONGXEEELSA-N -1 0 250.298 2.307 50 0 CEAARM COc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1O ZINC000029011399 361679314 /nfs/dbraw/zinc/67/93/14/361679314.db2.gz RCHZIROTCUCDBS-UHFFFAOYSA-N -1 0 281.308 2.230 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000013170750 304110167 /nfs/dbraw/zinc/11/01/67/304110167.db2.gz JKSMVQSDRHVOKB-SECBINFHSA-N -1 0 299.273 2.225 50 0 CEAARM CN(C[C@H](O)C1CC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000087559469 363860320 /nfs/dbraw/zinc/86/03/20/363860320.db2.gz PMMDNCZKICDRJM-NSHDSACASA-N -1 0 292.360 2.333 50 0 CEAARM C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237572067 370733150 /nfs/dbraw/zinc/73/31/50/370733150.db2.gz CKCVJKDKYOFCQT-MWLCHTKSSA-N -1 0 267.350 2.002 50 0 CEAARM Cc1nc(C)c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)s1 ZINC000237376942 370716137 /nfs/dbraw/zinc/71/61/37/370716137.db2.gz DYLVMJRHSSIJIS-SSDOTTSWSA-N -1 0 282.365 2.085 50 0 CEAARM Cc1ccccc1CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237604619 370737461 /nfs/dbraw/zinc/73/74/61/370737461.db2.gz DDPCZROQSRHULC-GFCCVEGCSA-N -1 0 275.348 2.249 50 0 CEAARM C[C@]1(C(=O)[O-])CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000237639573 370741137 /nfs/dbraw/zinc/74/11/37/370741137.db2.gz WTGDQXFVJJMYIG-HNNXBMFYSA-N -1 0 291.322 2.181 50 0 CEAARM Cn1ccc2c1cccc2C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000237809373 370751586 /nfs/dbraw/zinc/75/15/86/370751586.db2.gz KTQLAINLMNZSOQ-LLVKDONJSA-N -1 0 286.331 2.115 50 0 CEAARM C=CCSCC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095424485 364370785 /nfs/dbraw/zinc/37/07/85/364370785.db2.gz SVQDBVCHRFONOY-UHFFFAOYSA-N -1 0 279.361 2.019 50 0 CEAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000095427731 364372856 /nfs/dbraw/zinc/37/28/56/364372856.db2.gz QQIGLHAELSGIRT-AGIUHOORSA-N -1 0 277.295 2.005 50 0 CEAARM Cc1ccc(S(=O)(=O)[N-]c2nncs2)c(Cl)c1 ZINC000095439261 364378575 /nfs/dbraw/zinc/37/85/75/364378575.db2.gz WHIVSIXBJNRTEK-UHFFFAOYSA-N -1 0 289.769 2.301 50 0 CEAARM CCSCCC(=O)N[C@@](C)(Cc1ccccc1)C(=O)[O-] ZINC000095970172 364395110 /nfs/dbraw/zinc/39/51/10/364395110.db2.gz VIVWGNKGXXBOHY-HNNXBMFYSA-N -1 0 295.404 2.332 50 0 CEAARM CCc1cc(C)c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000097039353 364429390 /nfs/dbraw/zinc/42/93/90/364429390.db2.gz HPOBXDPNXBDQFO-VHSXEESVSA-N -1 0 265.309 2.134 50 0 CEAARM Cc1noc([C@H](C)N(C)Cc2cccc(C(=O)[O-])c2)n1 ZINC000097179439 364474248 /nfs/dbraw/zinc/47/42/48/364474248.db2.gz KCSUXGWOLODRSA-VIFPVBQESA-N -1 0 275.308 2.269 50 0 CEAARM CCCCc1c(C)nc2[n-]c(SCC)nn2c1=O ZINC000100133391 364540140 /nfs/dbraw/zinc/54/01/40/364540140.db2.gz ZLAPZRJIFLDZAO-UHFFFAOYSA-N -1 0 266.370 2.181 50 0 CEAARM CCc1ccc(C(=O)N[C@H](CC(=O)[O-])CC(C)C)[nH]1 ZINC000218326431 189714310 /nfs/dbraw/zinc/71/43/10/189714310.db2.gz ACEUDFZWSZYESW-NSHDSACASA-N -1 0 266.341 2.196 50 0 CEAARM C[C@]1(c2ccccc2)CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000118974259 365194771 /nfs/dbraw/zinc/19/47/71/365194771.db2.gz FODNWHLQZPFHNW-INIZCTEOSA-N -1 0 287.359 2.432 50 0 CEAARM C/C(=C/C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CC1 ZINC000583652265 367079111 /nfs/dbraw/zinc/07/91/11/367079111.db2.gz YEPSIRZFTWYYBN-MMRAYRKESA-N -1 0 265.353 2.446 50 0 CEAARM O=C([O-])c1cc(Nc2ccnc(Cl)n2)ccc1O ZINC000170624846 367388445 /nfs/dbraw/zinc/38/84/45/367388445.db2.gz BSFQLCDTWQARRC-UHFFFAOYSA-N -1 0 265.656 2.277 50 0 CEAARM Cc1nc2c3ccccc3nn2c(C)c1CC(=O)[O-] ZINC000170622849 367388595 /nfs/dbraw/zinc/38/85/95/367388595.db2.gz DSHDIXNNNIGFGR-UHFFFAOYSA-N -1 0 255.277 2.126 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cscn1 ZINC000240886198 304144634 /nfs/dbraw/zinc/14/46/34/304144634.db2.gz INSBBVVHJURLMY-GDPRMGEGSA-N -1 0 280.349 2.001 50 0 CEAARM O=C([O-])c1ccc(CCC(=O)N[C@H]2CCCOCC2)cc1 ZINC000192970683 369877225 /nfs/dbraw/zinc/87/72/25/369877225.db2.gz IGEAKKZXRFOAIC-AWEZNQCLSA-N -1 0 291.347 2.003 50 0 CEAARM O=C([O-])c1cccc(CN2CC(Oc3ccccc3)C2)n1 ZINC000215556012 370178182 /nfs/dbraw/zinc/17/81/82/370178182.db2.gz CGEZDKQGMHEVCK-UHFFFAOYSA-N -1 0 284.315 2.043 50 0 CEAARM Cc1ccccc1C[C@H](CNC(=O)c1ccncc1)C(=O)[O-] ZINC000195542138 370139607 /nfs/dbraw/zinc/13/96/07/370139607.db2.gz LVGUZSWULIKRGJ-OAHLLOKOSA-N -1 0 298.342 2.063 50 0 CEAARM C/C(=C\C(=O)NCc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000221928232 370247950 /nfs/dbraw/zinc/24/79/50/370247950.db2.gz IDRXIQIWHGDXBX-CSKARUKUSA-N -1 0 259.305 2.357 50 0 CEAARM Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3[nH]2)c1 ZINC000217713749 370200365 /nfs/dbraw/zinc/20/03/65/370200365.db2.gz NTNLLVMMCAJBJL-UHFFFAOYSA-N -1 0 283.287 2.276 50 0 CEAARM CC(=O)c1cc(CN2CCC(C(=O)[O-])CC2)cs1 ZINC000223317743 370264491 /nfs/dbraw/zinc/26/44/91/370264491.db2.gz ZDRXKEAFWIHLRJ-UHFFFAOYSA-N -1 0 267.350 2.247 50 0 CEAARM O=C(c1ccncc1[O-])N1CCC[C@H]1c1nccs1 ZINC000223452379 370265535 /nfs/dbraw/zinc/26/55/35/370265535.db2.gz OCTFOGIZWXRWQU-JTQLQIEISA-N -1 0 275.333 2.221 50 0 CEAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C)n1C(C)C ZINC000236706936 370612461 /nfs/dbraw/zinc/61/24/61/370612461.db2.gz CTYCMMGAAMDWIU-LBPRGKRZSA-N -1 0 278.352 2.233 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ccco1 ZINC000252394214 371436188 /nfs/dbraw/zinc/43/61/88/371436188.db2.gz GQJPTUUAUUVLNJ-YUTCNCBUSA-N -1 0 291.347 2.457 50 0 CEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cc2ccccc2o1 ZINC000252446593 371439288 /nfs/dbraw/zinc/43/92/88/371439288.db2.gz XOJKWTHZYDAGPF-JMJZKYOTSA-N -1 0 273.288 2.331 50 0 CEAARM O=[N+]([O-])C(CN1CCCCC1)=N[N-]c1ccccc1 ZINC000252621579 371459293 /nfs/dbraw/zinc/45/92/93/371459293.db2.gz NBXDMPAVTIZRDK-UHFFFAOYSA-N -1 0 262.313 2.175 50 0 CEAARM O=c1[n-]nc([C@H]2CCCN(Cc3cccc(F)c3F)C2)o1 ZINC000253415645 371518367 /nfs/dbraw/zinc/51/83/67/371518367.db2.gz PIBAQKHESXUDAA-JTQLQIEISA-N -1 0 295.289 2.021 50 0 CEAARM Cc1ccc(N2CCCC2)c(C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000262919336 371922562 /nfs/dbraw/zinc/92/25/62/371922562.db2.gz UZULUROQMAZOOC-GFCCVEGCSA-N -1 0 290.363 2.140 50 0 CEAARM Cc1ccc2oc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2n1 ZINC000268936373 372295021 /nfs/dbraw/zinc/29/50/21/372295021.db2.gz CEOJPNMTRXDBJW-OAHLLOKOSA-N -1 0 288.303 2.073 50 0 CEAARM CC(C)(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000268945688 372298344 /nfs/dbraw/zinc/29/83/44/372298344.db2.gz MOFNCGPNUNVRKM-RKDXNWHRSA-N -1 0 283.274 2.037 50 0 CEAARM O=C([O-])C1(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000237942754 189894790 /nfs/dbraw/zinc/89/47/90/189894790.db2.gz FLUAXZVROLPBHA-NXEZZACHSA-N -1 0 279.723 2.177 50 0 CEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NC1CCCC1 ZINC000013321019 304174355 /nfs/dbraw/zinc/17/43/55/304174355.db2.gz NCGKRTLAYJOPBA-HFCHRNICSA-N -1 0 265.353 2.182 50 0 CEAARM O=C([O-])[C@H]1CC(=O)N(c2cccc3c2CCCC3)C1 ZINC000019271494 304174663 /nfs/dbraw/zinc/17/46/63/304174663.db2.gz NRJQIBDQYZAXBK-NSHDSACASA-N -1 0 259.305 2.003 50 0 CEAARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1nccs1 ZINC000000200289 304175836 /nfs/dbraw/zinc/17/58/36/304175836.db2.gz UFGYRMPSQUJSAA-JGVFFNPUSA-N -1 0 286.740 2.315 50 0 CEAARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2C(F)(F)F)N1 ZINC000000138428 304202483 /nfs/dbraw/zinc/20/24/83/304202483.db2.gz SCJJREXUFWLWRG-BDAKNGLRSA-N -1 0 277.267 2.494 50 0 CEAARM CCCN(CCC1=CCCCC1)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426705704 377429544 /nfs/dbraw/zinc/42/95/44/377429544.db2.gz NLTREHGBHSYIHK-UHFFFAOYSA-N -1 0 292.383 2.182 50 0 CEAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)CC(=O)[O-])cc1 ZINC000299749613 379126919 /nfs/dbraw/zinc/12/69/19/379126919.db2.gz KZNHVSGRKFMRFA-HIFRSBDPSA-N -1 0 291.347 2.006 50 0 CEAARM CCc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccc(C)o1 ZINC000299782009 379138059 /nfs/dbraw/zinc/13/80/59/379138059.db2.gz SESPXQDYIHQWJI-UHFFFAOYSA-N -1 0 275.304 2.367 50 0 CEAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000013645831 304219207 /nfs/dbraw/zinc/21/92/07/304219207.db2.gz MTEDZZRWBFGIFC-UHFFFAOYSA-N -1 0 257.224 2.234 50 0 CEAARM O=C([O-])c1cc(=O)c2c(F)ccc(Br)c2[nH]1 ZINC000097757470 304220391 /nfs/dbraw/zinc/22/03/91/304220391.db2.gz OKMCDTWRWUHVMP-UHFFFAOYSA-N -1 0 286.056 2.128 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056771 169520174 /nfs/dbraw/zinc/52/01/74/169520174.db2.gz WPTUQMUCTTVOFW-ZUZCIYMTSA-N -1 0 288.347 2.326 50 0 in-vitro CEAARM C[C@@H]1CCCCN1C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000239222125 296309572 /nfs/dbraw/zinc/30/95/72/296309572.db2.gz UKKWDQAREXKONO-GRYCIOLGSA-N -1 0 251.326 2.054 50 0 CEAARM O=C([O-])c1cc(F)c(F)cc1I ZINC000002583961 304224900 /nfs/dbraw/zinc/22/49/00/304224900.db2.gz NHXDCVFTXJVUGK-UHFFFAOYSA-N -1 0 283.999 2.268 50 0 CEAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2c(F)cccc2F)C1 ZINC000492629831 380633715 /nfs/dbraw/zinc/63/37/15/380633715.db2.gz GQANPKVATHABLE-JYESYGNLSA-N -1 0 295.285 2.301 50 0 CEAARM O=C([O-])CSCC(=O)Nc1cccc(Cl)c1 ZINC000000392055 169628158 /nfs/dbraw/zinc/62/81/58/169628158.db2.gz GUJXESWTQMRFPW-UHFFFAOYSA-N -1 0 259.714 2.096 50 0 CEAARM O=C([O-])c1ccccc1OCCN1CCO[C@H]2CCC[C@H]21 ZINC000216640218 304270931 /nfs/dbraw/zinc/27/09/31/304270931.db2.gz FOIVYHWXDRGMSK-HIFRSBDPSA-N -1 0 291.347 2.017 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)OCC(F)(F)F)cc1 ZINC000001392882 169699840 /nfs/dbraw/zinc/69/98/40/169699840.db2.gz UXHNDWIFAYRZDR-UHFFFAOYSA-N -1 0 277.198 2.173 50 0 CEAARM O=C([O-])c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000002654613 304284780 /nfs/dbraw/zinc/28/47/80/304284780.db2.gz ZZKLUQPKTQBWJY-UHFFFAOYSA-N -1 0 272.182 2.295 50 0 CEAARM Cc1ccc(CS(=O)(=O)c2ncc[n-]2)cc1C ZINC000190836750 130151899 /nfs/dbraw/zinc/15/18/99/130151899.db2.gz YDVJSZADQVPKMU-UHFFFAOYSA-N -1 0 250.323 2.000 50 0 CEAARM C[C@@H](Sc1ccccc1Cl)C(=O)NCCC(=O)[O-] ZINC000237388509 131026617 /nfs/dbraw/zinc/02/66/17/131026617.db2.gz FXUBJKZEVIADQC-MRVPVSSYSA-N -1 0 287.768 2.412 50 0 CEAARM COC(=O)c1cc(=O)c2ccc(Cl)c(C)c2[n-]1 ZINC000038537056 291995405 /nfs/dbraw/zinc/99/54/05/291995405.db2.gz MGVVMSKTFCAVOL-UHFFFAOYSA-N -1 0 251.669 2.277 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000237975080 131069703 /nfs/dbraw/zinc/06/97/03/131069703.db2.gz VWOZZCQBWUDCBY-MNOVXSKESA-N -1 0 283.274 2.049 50 0 CEAARM O=C([O-])CCCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000237976058 131070251 /nfs/dbraw/zinc/07/02/51/131070251.db2.gz UNCBTGTWZYTVTP-UWVGGRQHSA-N -1 0 283.274 2.049 50 0 CEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000262043906 131187067 /nfs/dbraw/zinc/18/70/67/131187067.db2.gz ARVNMGPIKZAUMN-UPJWGTAASA-N -1 0 277.295 2.210 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)c1cccc2cnccc21 ZINC000262375331 131216191 /nfs/dbraw/zinc/21/61/91/131216191.db2.gz MZCLTILRFAVUSI-UHFFFAOYSA-N -1 0 272.304 2.172 50 0 CEAARM O=C([O-])COc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000065159 394447779 /nfs/dbraw/zinc/44/77/79/394447779.db2.gz NDFRBRBQJWKTHY-UHFFFAOYSA-N -1 0 285.299 2.080 50 0 CEAARM O=C([O-])CCNc1ncnc2ccc(Br)cc21 ZINC000000064897 394447806 /nfs/dbraw/zinc/44/78/06/394447806.db2.gz JUEPIWSJQXPKLI-UHFFFAOYSA-N -1 0 296.124 2.279 50 0 CEAARM CC1(c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)CC1 ZINC000002505909 394452567 /nfs/dbraw/zinc/45/25/67/394452567.db2.gz UVQZUXPEYVUBAO-UHFFFAOYSA-N -1 0 285.225 2.498 50 0 CEAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])Cc2ccc(F)cc2C1 ZINC000091691642 394657955 /nfs/dbraw/zinc/65/79/55/394657955.db2.gz RHJCQFMLHDNTBL-HNNXBMFYSA-N -1 0 295.310 2.272 50 0 CEAARM Cc1nc(CCCC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC000194457802 395436662 /nfs/dbraw/zinc/43/66/62/395436662.db2.gz XLGLTIQEWQQGPB-WDEREUQCSA-N -1 0 296.392 2.144 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)c1cccc2ccncc21)C(=O)[O-] ZINC000647728829 395749946 /nfs/dbraw/zinc/74/99/46/395749946.db2.gz FDUMXNUCXDOVKA-HZMBPMFUSA-N -1 0 286.331 2.464 50 0 CEAARM CN(CC1CC1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000049251755 400227168 /nfs/dbraw/zinc/22/71/68/400227168.db2.gz VDJRJBURDKSXLA-UHFFFAOYSA-N -1 0 289.360 2.480 50 0 CEAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000048236677 400190149 /nfs/dbraw/zinc/19/01/49/400190149.db2.gz VAOMCMKYGOWXMO-BLLLJJGKSA-N -1 0 299.326 2.463 50 0 CEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC12CC2 ZINC000263215816 154034321 /nfs/dbraw/zinc/03/43/21/154034321.db2.gz OCTXYSBTQRLFMY-JSGCOSHPSA-N -1 0 298.342 2.080 50 0 CEAARM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCOCC1 ZINC000263301769 154053057 /nfs/dbraw/zinc/05/30/57/154053057.db2.gz USGCVQIGYWKKGL-ZDUSSCGKSA-N -1 0 291.347 2.003 50 0 CEAARM CCOC(=O)c1c(C)n(CC(=O)[O-])c2ccc(OC)cc21 ZINC000004708370 170002864 /nfs/dbraw/zinc/00/28/64/170002864.db2.gz SHZLLSVWRUSIGN-UHFFFAOYSA-N -1 0 291.303 2.220 50 0 CEAARM CC[C@H](C)[C@@H](NC(=S)Nc1ccccc1)C(=O)[O-] ZINC000004734400 170007692 /nfs/dbraw/zinc/00/76/92/170007692.db2.gz KRKBSIJUCVXTLT-GXSJLCMTSA-N -1 0 266.366 2.472 50 0 CEAARM CCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004823084 170023797 /nfs/dbraw/zinc/02/37/97/170023797.db2.gz KGVFWRGFOJBDFF-UHFFFAOYSA-N -1 0 272.098 2.496 50 0 CEAARM O=C(c1ccco1)N1NC(C2CC2)=C[C@@]1(O)C(F)(F)F ZINC000004867953 170033506 /nfs/dbraw/zinc/03/35/06/170033506.db2.gz KTLAJHXVZNPZAV-LLVKDONJSA-N -1 0 288.225 2.142 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccc(N=O)cc2)no1 ZINC000005138878 170070107 /nfs/dbraw/zinc/07/01/07/170070107.db2.gz GHNQGDUYHCZZPT-UHFFFAOYSA-N -1 0 267.266 2.182 50 0 in-vitro CEAARM CC[C@@H](C)[C@H](NC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000005147079 170070594 /nfs/dbraw/zinc/07/05/94/170070594.db2.gz MYYQPSOBPGLTMO-SKDRFNHKSA-N -1 0 280.324 2.316 50 0 CEAARM O=S(=O)([N-]c1cccc(O)c1)c1ccc(F)cc1F ZINC000006623410 170219685 /nfs/dbraw/zinc/21/96/85/170219685.db2.gz FNQVDNFCMLGGGF-UHFFFAOYSA-N -1 0 285.271 2.471 50 0 CEAARM CC(C)n1nccc1[N-]S(=O)(=O)c1ccccc1 ZINC000006623232 170219746 /nfs/dbraw/zinc/21/97/46/170219746.db2.gz KCRGZHIZBLOUJL-UHFFFAOYSA-N -1 0 265.338 2.265 50 0 CEAARM CCC(CC)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000006701262 170229572 /nfs/dbraw/zinc/22/95/72/170229572.db2.gz DUJAOBKJISPJJP-UHFFFAOYSA-N -1 0 251.282 2.465 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NCc2cccnc2)[C@H](C(=O)[O-])C1 ZINC000006715791 170232066 /nfs/dbraw/zinc/23/20/66/170232066.db2.gz ILNZQCCMJDXYMO-UONOGXRCSA-N -1 0 288.347 2.145 50 0 CEAARM CC[C@H](C)[C@H](NC(=O)NCCc1ccccc1F)C(=O)[O-] ZINC000006934277 170256773 /nfs/dbraw/zinc/25/67/73/170256773.db2.gz IPBVVBIJEZITGV-GWCFXTLKSA-N -1 0 296.342 2.167 50 0 CEAARM CC1CCN(Cc2nc3ccccc3n2CC(=O)[O-])CC1 ZINC000009238722 170368400 /nfs/dbraw/zinc/36/84/00/170368400.db2.gz XJQIUCWPBBQUMO-UHFFFAOYSA-N -1 0 287.363 2.353 50 0 CEAARM CCCCc1c(C)nc(SCC(=O)[O-])[nH]c1=O ZINC000009546413 170381339 /nfs/dbraw/zinc/38/13/39/170381339.db2.gz PIZKHSFARBCJFU-UHFFFAOYSA-N -1 0 256.327 2.010 50 0 CEAARM O=C([O-])C1(NC(=O)c2ccccc2F)CCCCC1 ZINC000012357040 170478546 /nfs/dbraw/zinc/47/85/46/170478546.db2.gz ZLJCGYMZGCHEFZ-UHFFFAOYSA-N -1 0 265.284 2.343 50 0 CEAARM COc1cc(C(C)=O)ccc1OCCCC(=O)[O-] ZINC000019403130 170785870 /nfs/dbraw/zinc/78/58/70/170785870.db2.gz AJSDTGPNCVIIFP-UHFFFAOYSA-N -1 0 252.266 2.141 50 0 CEAARM CC(C)CCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000020249402 171101984 /nfs/dbraw/zinc/10/19/84/171101984.db2.gz SNFOUMUDOQSPKF-CYBMUJFWSA-N -1 0 263.337 2.235 50 0 CEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncccn1 ZINC000022077550 171352509 /nfs/dbraw/zinc/35/25/09/171352509.db2.gz BTRGZLUWIGWVFA-CYBMUJFWSA-N -1 0 282.303 2.066 50 0 CEAARM O=C([O-])c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000022166598 171366342 /nfs/dbraw/zinc/36/63/42/171366342.db2.gz JRQLNFZESQUFOU-UHFFFAOYSA-N -1 0 255.579 2.374 50 0 CEAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000028249068 171554223 /nfs/dbraw/zinc/55/42/23/171554223.db2.gz ORZKBSNSJZGOLV-UHFFFAOYSA-N -1 0 281.337 2.302 50 0 CEAARM COc1cncc(NC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC000035270291 172092924 /nfs/dbraw/zinc/09/29/24/172092924.db2.gz NFKMWUQJFMOTPS-UHFFFAOYSA-N -1 0 268.269 2.135 50 0 CEAARM C[C@H]1Cc2cc(-c3cc(CC(=O)[O-])no3)ccc2O1 ZINC000036657695 172645109 /nfs/dbraw/zinc/64/51/09/172645109.db2.gz HJJOMBQHAFIMPT-QMMMGPOBSA-N -1 0 259.261 2.292 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1ccccc1F ZINC000037410838 173187391 /nfs/dbraw/zinc/18/73/91/173187391.db2.gz MIDOTLFPEDJGLN-MMQHEFTJSA-N -1 0 277.295 2.305 50 0 CEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000037517947 173248501 /nfs/dbraw/zinc/24/85/01/173248501.db2.gz HDMPGSBEGYNNCS-SWPVVBRQSA-N -1 0 267.712 2.238 50 0 CEAARM O=c1[n-]c(CNc2ccccc2)nn1Cc1ccccc1 ZINC000040266760 174217771 /nfs/dbraw/zinc/21/77/71/174217771.db2.gz UJJOXCRFALJCPZ-UHFFFAOYSA-N -1 0 280.331 2.232 50 0 CEAARM C[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC000040313129 174231853 /nfs/dbraw/zinc/23/18/53/174231853.db2.gz YCOLRCIKUHGLQP-VIFPVBQESA-N -1 0 294.738 2.274 50 0 CEAARM CN(Cc1ccccc1)c1nc2[n-]cnc(=O)c2s1 ZINC000040478764 174283263 /nfs/dbraw/zinc/28/32/63/174283263.db2.gz MIPVPZOFLJULQH-UHFFFAOYSA-N -1 0 272.333 2.016 50 0 CEAARM COC(=O)C(C)=C([O-])c1cccc(Br)c1 ZINC000043502339 175059054 /nfs/dbraw/zinc/05/90/54/175059054.db2.gz JUYOVOIEOBGHTH-ZETCQYMHSA-N -1 0 271.110 2.441 50 0 CEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000043589667 175073464 /nfs/dbraw/zinc/07/34/64/175073464.db2.gz QORDEUKPZJAMAJ-OLZOCXBDSA-N -1 0 265.353 2.446 50 0 CEAARM COc1cc(-c2cncc(C(=O)[O-])c2)cc(OC)c1OC ZINC000049886710 175503418 /nfs/dbraw/zinc/50/34/18/175503418.db2.gz MNDCJMKMVWJZFS-UHFFFAOYSA-N -1 0 289.287 2.473 50 0 CEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccccc1 ZINC000050921313 175520371 /nfs/dbraw/zinc/52/03/71/175520371.db2.gz UQBCSZCBUPRUSR-AWEZNQCLSA-N -1 0 275.348 2.475 50 0 CEAARM Cc1cc(C(=O)N[C@H](C)CC(=O)[O-])c2cccc(C)c2n1 ZINC000055387089 175577981 /nfs/dbraw/zinc/57/79/81/175577981.db2.gz QVPFLMDUYQTHDZ-LLVKDONJSA-N -1 0 286.331 2.445 50 0 CEAARM C[C@H](CC(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCCO1 ZINC000659138323 415414430 /nfs/dbraw/zinc/41/44/30/415414430.db2.gz UUIKIROEBBVSEB-BXUZGUMPSA-N -1 0 291.347 2.457 50 0 CEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccsc1 ZINC000063152943 175682439 /nfs/dbraw/zinc/68/24/39/175682439.db2.gz ZKIWRGVMLLWQRY-QWRGUYRKSA-N -1 0 265.334 2.031 50 0 CEAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc2ncccc2c1 ZINC000070523850 175968899 /nfs/dbraw/zinc/96/88/99/175968899.db2.gz WUTIPWMXWNFAJT-JSGCOSHPSA-N -1 0 284.315 2.218 50 0 CEAARM CC(C)(C)c1nnc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071283526 176109389 /nfs/dbraw/zinc/10/93/89/176109389.db2.gz ZOGCLFCFNRCXAN-BQBZGAKWSA-N -1 0 297.380 2.131 50 0 CEAARM CCOCc1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000072241247 176348649 /nfs/dbraw/zinc/34/86/49/176348649.db2.gz GDAUWSUTRMBOFH-UHFFFAOYSA-N -1 0 296.348 2.320 50 0 CEAARM CC(=O)N1CCC[C@](CCCc2cccnc2)(C(=O)[O-])C1 ZINC000072343792 176372230 /nfs/dbraw/zinc/37/22/30/176372230.db2.gz LXCJDHDMHDBZCG-INIZCTEOSA-N -1 0 290.363 2.118 50 0 CEAARM Cc1cc(N)cc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC000656853116 415889073 /nfs/dbraw/zinc/88/90/73/415889073.db2.gz STDWKOMCPZTRSP-INIZCTEOSA-N -1 0 288.347 2.005 50 0 CEAARM C[C@@H]1C[C@@H](C(=O)NC2(C(=O)[O-])CCCCCC2)CCO1 ZINC000262752266 297208335 /nfs/dbraw/zinc/20/83/35/297208335.db2.gz JLCAZNLFHBMSQS-NEPJUHHUSA-N -1 0 283.368 2.095 50 0 CEAARM CCC[C@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000002289580 260009073 /nfs/dbraw/zinc/00/90/73/260009073.db2.gz IPLNQILSPZHUJK-MRVPVSSYSA-N -1 0 256.327 2.363 50 0 CEAARM CC(=O)n1c(C)c2c3c1cccc3C(=O)C[C@H]2C(=O)[O-] ZINC000034368703 278254373 /nfs/dbraw/zinc/25/43/73/278254373.db2.gz HIDCUYAJPSONRB-SNVBAGLBSA-N -1 0 271.272 2.364 50 0 CEAARM CC(C)(C)NC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000265466 278367683 /nfs/dbraw/zinc/36/76/83/278367683.db2.gz BNLAQWKIJVEPDI-XPTSAGLGSA-N -1 0 255.358 2.428 50 0 CEAARM CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000141702235 278382604 /nfs/dbraw/zinc/38/26/04/278382604.db2.gz RMNKRWVTEOFMCN-WDEREUQCSA-N -1 0 269.341 2.354 50 0 CEAARM CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)[O-] ZINC000170612291 278385283 /nfs/dbraw/zinc/38/52/83/278385283.db2.gz BAMPIPDSJUTFSY-SECBINFHSA-N -1 0 257.330 2.497 50 0 CEAARM CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000004126358 280292978 /nfs/dbraw/zinc/29/29/78/280292978.db2.gz TVUAZYKHHMOUKA-PCPABOIYSA-N -1 0 279.380 2.428 50 0 CEAARM CC1=C(C)C[C@H](C(=O)NCc2ccncc2)[C@H](C(=O)[O-])C1 ZINC000006715419 281664299 /nfs/dbraw/zinc/66/42/99/281664299.db2.gz ROHOOFAPRLWWHG-UONOGXRCSA-N -1 0 288.347 2.145 50 0 CEAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)cc3=O)cc1 ZINC000005488506 295045578 /nfs/dbraw/zinc/04/55/78/295045578.db2.gz SNDFFAAJXWIXLR-UHFFFAOYSA-N -1 0 269.304 2.315 50 0 CEAARM COc1cccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)c1 ZINC000045922786 295321201 /nfs/dbraw/zinc/32/12/01/295321201.db2.gz CYPZKFULBAXMBS-TZMCWYRMSA-N -1 0 277.320 2.078 50 0 CEAARM O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1c1ccc([S-])cc1 ZINC000113628805 304700113 /nfs/dbraw/zinc/70/01/13/304700113.db2.gz SLNFEPNONCVPAP-TXEJJXNPSA-N -1 0 259.330 2.431 50 0 CEAARM C[S@](=O)C1=C([O-])c2ccc3ccccc3c2OC1 ZINC000071771931 300887432 /nfs/dbraw/zinc/88/74/32/300887432.db2.gz UBCMEXBMQLJFQR-KZULUSFZSA-N -1 0 260.314 2.162 50 0 CEAARM Cc1c(C)c(=O)oc2c(C)c([O-])c(-c3ccnc(N)n3)cc12 ZINC000013683714 300951827 /nfs/dbraw/zinc/95/18/27/300951827.db2.gz LJIXLYCADYQHKN-UHFFFAOYSA-N -1 0 297.314 2.463 50 0 CEAARM Cc1cc(=O)c2cc(Cl)ccc2n1CC(=O)[O-] ZINC000026507894 301066518 /nfs/dbraw/zinc/06/65/18/301066518.db2.gz NZBXABRXIOXPIA-UHFFFAOYSA-N -1 0 251.669 2.048 50 0 CEAARM Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[O-])n2)n1 ZINC000002228893 301234453 /nfs/dbraw/zinc/23/44/53/301234453.db2.gz QKBICGBMXFRLBL-UHFFFAOYSA-N -1 0 251.673 2.236 50 0 CEAARM Cc1cc(F)cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000235383062 301299277 /nfs/dbraw/zinc/29/92/77/301299277.db2.gz IEAGQUQHSIJIIK-ZWNOBZJWSA-N -1 0 279.311 2.459 50 0 CEAARM Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC000022217625 301522862 /nfs/dbraw/zinc/52/28/62/301522862.db2.gz OWRWLLNDFSUXBV-OAHLLOKOSA-N -1 0 296.326 2.042 50 0 CEAARM Cc1ccc(NC(=O)[C@]2(C)CCCOC2)cc1C(=O)[O-] ZINC000263541473 301644786 /nfs/dbraw/zinc/64/47/86/301644786.db2.gz RBWIQCIDKBUGHP-OAHLLOKOSA-N -1 0 277.320 2.448 50 0 CEAARM Cc1cccc2cc(C(=O)NC(C)(C)C(=O)[O-])oc21 ZINC000095969797 302069713 /nfs/dbraw/zinc/06/97/13/302069713.db2.gz MMYFFZASYRMULM-UHFFFAOYSA-N -1 0 261.277 2.334 50 0 CEAARM Cc1noc(C)c1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250947090 302836738 /nfs/dbraw/zinc/83/67/38/302836738.db2.gz BZIOBVSIAGISLS-UTUOFQBUSA-N -1 0 292.335 2.149 50 0 CEAARM CCOc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000397896 326791743 /nfs/dbraw/zinc/79/17/43/326791743.db2.gz ZGQKUDMXGMZFJC-UHFFFAOYSA-N -1 0 251.282 2.279 50 0 CEAARM CC(C)(C)OC(=O)N[C@H]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000140850968 330381750 /nfs/dbraw/zinc/38/17/50/330381750.db2.gz TVCUVBOXXTUJEA-LBPRGKRZSA-N -1 0 277.320 2.377 50 0 CEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(F)ccc2C)n1 ZINC000096502840 534141672 /nfs/dbraw/zinc/14/16/72/534141672.db2.gz TYBCAVIJEGQXHO-UHFFFAOYSA-N -1 0 295.339 2.342 50 0 CEAARM CC(C)(CC(=O)[O-])CC(=O)N1CCOc2ccccc21 ZINC000061826373 519195231 /nfs/dbraw/zinc/19/52/31/519195231.db2.gz WYGFAQOMNBWRHE-UHFFFAOYSA-N -1 0 277.320 2.303 50 0 CEAARM O=C([O-])[C@H]1CN(C(=O)c2ccoc2)c2ccccc21 ZINC000133853310 534538487 /nfs/dbraw/zinc/53/84/87/534538487.db2.gz AGHPMYYPLVIOMD-NSHDSACASA-N -1 0 257.245 2.108 50 0 CEAARM C[C@@H]1CC[C@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)O1 ZINC000155481254 524636275 /nfs/dbraw/zinc/63/62/75/524636275.db2.gz WRUDHGDTKHMBHS-KWCYVHTRSA-N -1 0 291.347 2.276 50 0 CEAARM C[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000241277631 525478559 /nfs/dbraw/zinc/47/85/59/525478559.db2.gz LHVIRNJPDXWAFW-IWSPIJDZSA-N -1 0 253.323 2.036 50 0 CEAARM CCN(CC(=O)[O-])C(=O)/C=C(/C)c1cccc(F)c1 ZINC000095970038 600197553 /nfs/dbraw/zinc/19/75/53/600197553.db2.gz OGFLBMRTHCKMNN-YFHOEESVSA-N -1 0 265.284 2.162 50 0 CEAARM O=C([O-])/C=C/C(=O)OCC(Cl)=C(Cl)Cl ZINC000004947796 628748472 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O=C([O-])[C@H]1CS[C@@H](c2ccc(OC(F)(F)F)cc2)N1 ZINC000003107913 361263403 /nfs/dbraw/zinc/26/34/03/361263403.db2.gz UZHPOGNUABYTQQ-BDAKNGLRSA-N -1 0 293.266 2.373 50 0 CEAARM COc1ccc(N)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003163333 361265749 /nfs/dbraw/zinc/26/57/49/361265749.db2.gz KTYNUZRDGSOFST-UHFFFAOYSA-N -1 0 292.360 2.387 50 0 CEAARM O=C([O-])c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000003163470 361265828 /nfs/dbraw/zinc/26/58/28/361265828.db2.gz ZUWJKVVWOLYFRK-UHFFFAOYSA-N -1 0 281.267 2.181 50 0 CEAARM CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003278395 361271994 /nfs/dbraw/zinc/27/19/94/361271994.db2.gz CICPHGOQDCGVPX-UHFFFAOYSA-N -1 0 291.756 2.115 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004204551 361305553 /nfs/dbraw/zinc/30/55/53/361305553.db2.gz RQEOMJWWVKNKPX-RRHJKOLHSA-N -1 0 277.364 2.278 50 0 CEAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000004411704 361316035 /nfs/dbraw/zinc/31/60/35/361316035.db2.gz GOJYBTCQRJRHHT-UHFFFAOYSA-N -1 0 292.360 2.453 50 0 CEAARM CCN(CCC(=O)[O-])C(=O)C1(c2ccccc2F)CC1 ZINC000237016798 370678199 /nfs/dbraw/zinc/67/81/99/370678199.db2.gz CRWNLWAJUQACCA-UHFFFAOYSA-N -1 0 279.311 2.181 50 0 CEAARM COc1ccc(C(=O)c2cocc2C(=O)[O-])cc1OC ZINC000012371218 361380233 /nfs/dbraw/zinc/38/02/33/361380233.db2.gz DZFTYZDYCLRQLQ-UHFFFAOYSA-N -1 0 276.244 2.226 50 0 biogenic,in-vitro CEAARM Cc1cc2nc(-c3ccccc3)cc(C(=O)[O-])n2n1 ZINC000012399068 361382530 /nfs/dbraw/zinc/38/25/30/361382530.db2.gz SUQJLVBGOHXEBZ-UHFFFAOYSA-N -1 0 253.261 2.403 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000013170705 361422216 /nfs/dbraw/zinc/42/22/16/361422216.db2.gz IPCNICDLVDUTPN-NSHDSACASA-N -1 0 281.739 2.206 50 0 CEAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCC2)cc1 ZINC000013178949 361423684 /nfs/dbraw/zinc/42/36/84/361423684.db2.gz XHIYOMJKKNFPNN-ZDUSSCGKSA-N -1 0 261.321 2.427 50 0 CEAARM COCc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000013317183 361424749 /nfs/dbraw/zinc/42/47/49/361424749.db2.gz WPSLVPLPMYISPQ-UHFFFAOYSA-N -1 0 299.326 2.461 50 0 CEAARM Cc1oc2ncn(Cc3ccc(C)cc3)c(=O)c2c1C(=O)[O-] ZINC000013056468 361417600 /nfs/dbraw/zinc/41/76/00/361417600.db2.gz CMSLERKSMIGPNI-UHFFFAOYSA-N -1 0 298.298 2.353 50 0 CEAARM CCC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000015861992 361480257 /nfs/dbraw/zinc/48/02/57/361480257.db2.gz WYVDTLBDHBPHPU-UHFFFAOYSA-N -1 0 299.377 2.016 50 0 CEAARM CC[C@H](C)[C@@H](NC(=O)Nc1ccc(OC)cc1)C(=O)[O-] ZINC000015970387 361481826 /nfs/dbraw/zinc/48/18/26/361481826.db2.gz QGJAFAIXCRURHK-JOYOIKCWSA-N -1 0 280.324 2.316 50 0 CEAARM Cc1ccc2oc(=O)cc(SCC(=O)[O-])c2c1 ZINC000016752660 361497156 /nfs/dbraw/zinc/49/71/56/361497156.db2.gz QYYGXSREBLLRDT-UHFFFAOYSA-N -1 0 250.275 2.278 50 0 CEAARM O=C([O-])[C@H]1CS[C@@H](c2c[nH]nc2-c2ccc(F)cc2)N1 ZINC000019737371 361550436 /nfs/dbraw/zinc/55/04/36/361550436.db2.gz ZBMFNZYBCQOJMY-PWSUYJOCSA-N -1 0 293.323 2.004 50 0 CEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccco1 ZINC000022289073 361588921 /nfs/dbraw/zinc/58/89/21/361588921.db2.gz GBLVTAJATLYBSS-MVGZEHJDSA-N -1 0 297.310 2.331 50 0 CEAARM CNC(=O)c1cccc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000085210201 363833421 /nfs/dbraw/zinc/83/34/21/363833421.db2.gz RGWAOZXNNHYCTR-UHFFFAOYSA-N -1 0 269.300 2.340 50 0 CEAARM O=C([O-])CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000089851360 364009637 /nfs/dbraw/zinc/00/96/37/364009637.db2.gz DIJQYACUUUQMGX-LBPRGKRZSA-N -1 0 287.319 2.348 50 0 CEAARM CCc1nc2n(n1)CCC[C@H]2[N-]c1nc(C2CC2)no1 ZINC000089295956 363955138 /nfs/dbraw/zinc/95/51/38/363955138.db2.gz CFDRPYZPAYICLZ-SECBINFHSA-N -1 0 274.328 2.048 50 0 CEAARM CCc1nc2n(n1)CCC[C@@H]2[N-]c1nc(C(C)C)no1 ZINC000089295942 363955276 /nfs/dbraw/zinc/95/52/76/363955276.db2.gz DYFAXZXHENHPKB-VIFPVBQESA-N -1 0 276.344 2.294 50 0 CEAARM C[C@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237540682 370731160 /nfs/dbraw/zinc/73/11/60/370731160.db2.gz SCVIOUDLJLTKJL-ONGXEEELSA-N -1 0 297.301 2.424 50 0 CEAARM C[C@H](Cc1cccs1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237572703 370733751 /nfs/dbraw/zinc/73/37/51/370733751.db2.gz KUTCAJHVIHCQBX-YGRLFVJLSA-N -1 0 281.377 2.250 50 0 CEAARM COc1ccc2sc(C(=O)N[C@H](C)C(=O)[O-])c(C)c2c1 ZINC000237344752 370713029 /nfs/dbraw/zinc/71/30/29/370713029.db2.gz GGRJEQVTLHNVPO-MRVPVSSYSA-N -1 0 293.344 2.421 50 0 CEAARM Cc1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1C ZINC000237600472 370735917 /nfs/dbraw/zinc/73/59/17/370735917.db2.gz LXQPNTQOFWRQER-UHFFFAOYSA-N -1 0 291.347 2.009 50 0 CEAARM O=C([O-])[C@H]1CCN(C(=O)CCOc2ccc(Cl)cc2)C1 ZINC000237956115 370763253 /nfs/dbraw/zinc/76/32/53/370763253.db2.gz KIIKYEKRTLBVCH-JTQLQIEISA-N -1 0 297.738 2.042 50 0 CEAARM O=C([O-])CCCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000237971394 370764068 /nfs/dbraw/zinc/76/40/68/370764068.db2.gz QSALOQHEPSPZNU-WMLDXEAASA-N -1 0 287.359 2.262 50 0 CEAARM Cc1cc(F)c(C(=O)NC2(C(=O)[O-])CCC2)cc1F ZINC000237650157 370741079 /nfs/dbraw/zinc/74/10/79/370741079.db2.gz AZOQACNUWGGCJW-UHFFFAOYSA-N -1 0 269.247 2.010 50 0 CEAARM Cc1oc(-c2ccco2)nc1CN1CCC[C@@H]1C(=O)[O-] ZINC000237661785 370743107 /nfs/dbraw/zinc/74/31/07/370743107.db2.gz SLANOTDZXXUEDV-LLVKDONJSA-N -1 0 276.292 2.292 50 0 CEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC000238080768 370769400 /nfs/dbraw/zinc/76/94/00/370769400.db2.gz CNWHOUZWUHGCNZ-SNVBAGLBSA-N -1 0 277.251 2.261 50 0 CEAARM CCC[C@H](C(=O)[O-])n1sc2ccccc2c1=O ZINC000095095476 364339286 /nfs/dbraw/zinc/33/92/86/364339286.db2.gz URTAPAHJDDXJFQ-SECBINFHSA-N -1 0 251.307 2.489 50 0 CEAARM Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000094951614 364315198 /nfs/dbraw/zinc/31/51/98/364315198.db2.gz NDGWDOWYMVWUKT-LSJOCFKGSA-N -1 0 265.284 2.032 50 0 CEAARM CCc1cccc([C@H](C(=O)[O-])N(C)Cc2cnn(C)c2)c1 ZINC000095381506 364352570 /nfs/dbraw/zinc/35/25/70/364352570.db2.gz CNTLCKXTXKQOAQ-OAHLLOKOSA-N -1 0 287.363 2.240 50 0 CEAARM O=C([O-])CC1(NC(=O)[C@H]2CC23CCCC3)CCC1 ZINC000095424885 364370612 /nfs/dbraw/zinc/37/06/12/364370612.db2.gz CCZPSGLHUOYGGF-SNVBAGLBSA-N -1 0 251.326 2.080 50 0 CEAARM C[C@H](c1nccs1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097785556 364519319 /nfs/dbraw/zinc/51/93/19/364519319.db2.gz KTHVIEHVXVRZSR-SNVBAGLBSA-N -1 0 294.380 2.007 50 0 CEAARM CC(C)Oc1ccc(-c2n[nH]c(CCC(=O)[O-])n2)cc1 ZINC000098133082 364535540 /nfs/dbraw/zinc/53/55/40/364535540.db2.gz QTTANAFJXZBLJN-UHFFFAOYSA-N -1 0 275.308 2.276 50 0 CEAARM O=c1cc(-c2cccnc2)nc2cc(-c3ccco3)[n-]n21 ZINC000100214032 364541437 /nfs/dbraw/zinc/54/14/37/364541437.db2.gz VKNILCHYSDNGJD-UHFFFAOYSA-N -1 0 278.271 2.345 50 0 CEAARM COc1ccsc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000113195744 364874388 /nfs/dbraw/zinc/87/43/88/364874388.db2.gz BXLMSBWJJVSDGD-UHFFFAOYSA-N -1 0 283.349 2.274 50 0 CEAARM Cc1[nH]c2ccccc2c1CC(=O)NC1(C(=O)[O-])CCC1 ZINC000164854942 367297874 /nfs/dbraw/zinc/29/78/74/367297874.db2.gz CMNSKXOYKLYKBJ-UHFFFAOYSA-N -1 0 286.331 2.142 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CCOCC1 ZINC000237965215 304140680 /nfs/dbraw/zinc/14/06/80/304140680.db2.gz UIXPSVIKHCKAFV-IHRRRGAJSA-N -1 0 295.379 2.047 50 0 CEAARM C/C=C(\C)C(=O)NC[C@@H](Cc1ccccc1C)C(=O)[O-] ZINC000221725999 370244640 /nfs/dbraw/zinc/24/46/40/370244640.db2.gz BDMXNIOOEHEJSJ-MCRQLQJRSA-N -1 0 275.348 2.321 50 0 CEAARM C/C=C(\C)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000221734339 370245054 /nfs/dbraw/zinc/24/50/54/370245054.db2.gz YUGOLEUXIQIIMN-UAWPZABVSA-N -1 0 253.342 2.302 50 0 CEAARM CCCN(CC(=O)[O-])C(=O)[C@H](C)c1cccs1 ZINC000225459518 370296710 /nfs/dbraw/zinc/29/67/10/370296710.db2.gz AMPVSRDVKQOSKO-SECBINFHSA-N -1 0 255.339 2.175 50 0 CEAARM CC(C)(C)c1ncc(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000236639627 370599868 /nfs/dbraw/zinc/59/98/68/370599868.db2.gz KRKXXWJFTASWEL-UHFFFAOYSA-N -1 0 296.392 2.377 50 0 CEAARM Cc1nc(C)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000247181637 371073971 /nfs/dbraw/zinc/07/39/71/371073971.db2.gz TYTWJBYJIDMEDF-TUAOUCFPSA-N -1 0 292.335 2.149 50 0 CEAARM Cc1cc(C)nc(N=NCc2ccccc2C(=O)[O-])n1 ZINC000252452369 371439470 /nfs/dbraw/zinc/43/94/70/371439470.db2.gz DZKLBGQEOKOLJT-UHFFFAOYSA-N -1 0 270.292 2.238 50 0 CEAARM C[C@H](C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-])c1cccs1 ZINC000252477184 371441345 /nfs/dbraw/zinc/44/13/45/371441345.db2.gz JTJPSRQEKXHISM-IVZWLZJFSA-N -1 0 267.350 2.221 50 0 CEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263316568 371934793 /nfs/dbraw/zinc/93/47/93/371934793.db2.gz QKWFDQCXZIZWAG-WCFLWFBJSA-N -1 0 261.321 2.030 50 0 CEAARM C/C(=C\C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C1CC1 ZINC000271902677 373207064 /nfs/dbraw/zinc/20/70/64/373207064.db2.gz LHKKUWCZPGZTCH-KUCQQTCKSA-N -1 0 285.343 2.381 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1OC(F)F ZINC000019393332 304179420 /nfs/dbraw/zinc/17/94/20/304179420.db2.gz BVCXNCBYHAGQRK-SNVBAGLBSA-N -1 0 299.273 2.367 50 0 CEAARM O=C([O-])[C@H]1CCCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000011891430 304183451 /nfs/dbraw/zinc/18/34/51/304183451.db2.gz ZLYXWUNQWRXGGZ-QMMMGPOBSA-N -1 0 285.702 2.416 50 0 CEAARM CC(C)Cc1nc(=NCc2ncc(Cl)n2C)s[n-]1 ZINC000408514121 375505789 /nfs/dbraw/zinc/50/57/89/375505789.db2.gz JMIXKQYJPLSFTK-UHFFFAOYSA-N -1 0 285.804 2.158 50 0 CEAARM CC(C)c1csc(C(=O)N[C@H](CC(=O)[O-])C(C)C)n1 ZINC000426414771 377405264 /nfs/dbraw/zinc/40/52/64/377405264.db2.gz TXNCRVPLRWDHHV-SECBINFHSA-N -1 0 284.381 2.496 50 0 CEAARM CCc1c2ccccc2[nH]c1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000426506877 377412982 /nfs/dbraw/zinc/41/29/82/377412982.db2.gz WEWAKFOKFZYYHQ-MGCOHNPYSA-N -1 0 286.331 2.323 50 0 CEAARM Cc1nc(=NC(=O)Cc2ccc3c(c2)CCCC3)s[n-]1 ZINC000332096215 377517512 /nfs/dbraw/zinc/51/75/12/377517512.db2.gz DVDQLOGMBGWFAY-UHFFFAOYSA-N -1 0 287.388 2.328 50 0 CEAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccccc1Cl ZINC000004671363 304210648 /nfs/dbraw/zinc/21/06/48/304210648.db2.gz IODONSYDQZOHBN-KXNHARMFSA-N -1 0 295.722 2.157 50 0 CEAARM C[C@@H](CN(C)C(=O)c1sccc1C1CC1)C(=O)[O-] ZINC000299749359 379126697 /nfs/dbraw/zinc/12/66/97/379126697.db2.gz KBQMWHHGSDBJPW-QMMMGPOBSA-N -1 0 267.350 2.418 50 0 CEAARM Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1 ZINC000000002191 169503675 /nfs/dbraw/zinc/50/36/75/169503675.db2.gz UPSPUYADGBWSHF-UHFFFAOYSA-N -1 0 257.289 2.192 50 0 fda CEAARM CC(C)(C)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000112595 169540380 /nfs/dbraw/zinc/54/03/80/169540380.db2.gz OOGSPIKJKLMYPV-SNVBAGLBSA-N -1 0 261.321 2.422 50 0 CEAARM O=C([O-])CCCC(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000000155684 169556904 /nfs/dbraw/zinc/55/69/04/169556904.db2.gz JTFKCJAJVFZJCG-UHFFFAOYSA-N -1 0 273.292 2.270 50 0 CEAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCCSCC2)cc1 ZINC000238020081 304231474 /nfs/dbraw/zinc/23/14/74/304231474.db2.gz XSMZXLDNABECDV-QPJJXVBHSA-N -1 0 291.372 2.364 50 0 CEAARM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000000312952 169605701 /nfs/dbraw/zinc/60/57/01/169605701.db2.gz UKZSZLMBZKZOQQ-UHFFFAOYSA-N -1 0 291.328 2.210 50 0 CEAARM CCOC(=O)c1cc(CC)sc1NC(=O)CCC(=O)[O-] ZINC000000349201 169614119 /nfs/dbraw/zinc/61/41/19/169614119.db2.gz LFEISPLBSPYFNH-UHFFFAOYSA-N -1 0 299.348 2.291 50 0 CEAARM O=C([O-])c1ccc(C2=NNC(=O)[C@H]3CCCC[C@H]23)cc1 ZINC000020096043 304239816 /nfs/dbraw/zinc/23/98/16/304239816.db2.gz ITMBQAZZGQZBCN-RYUDHWBXSA-N -1 0 272.304 2.025 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 ZINC000005152252 304250024 /nfs/dbraw/zinc/25/00/24/304250024.db2.gz XEUZVAUXBDMVLL-UHFFFAOYSA-N -1 0 297.376 2.386 50 0 CEAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000032593612 304250562 /nfs/dbraw/zinc/25/05/62/304250562.db2.gz GQBDPMWDUUVAKD-UHFFFAOYSA-N -1 0 286.692 2.464 50 0 CEAARM O=C([O-])c1ccccc1OCC(=O)N1CCCCCC1 ZINC000013080188 304271235 /nfs/dbraw/zinc/27/12/35/304271235.db2.gz OZNBVIPIUUOELL-UHFFFAOYSA-N -1 0 277.320 2.166 50 0 CEAARM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccccc1 ZINC000000613449 169674679 /nfs/dbraw/zinc/67/46/79/169674679.db2.gz DVIAHMIQFPOLSM-UHFFFAOYSA-N -1 0 275.329 2.114 50 0 CEAARM Cc1cc(OC(F)F)c(C(=O)NC[C@H](C)C(=O)[O-])s1 ZINC000095425328 184978493 /nfs/dbraw/zinc/97/84/93/184978493.db2.gz PORUZGBZNTYINU-YFKPBYRVSA-N -1 0 293.291 2.108 50 0 CEAARM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl)C(=O)[O-] ZINC000245343989 131085584 /nfs/dbraw/zinc/08/55/84/131085584.db2.gz WUVJXCXYLVHMCH-IWSPIJDZSA-N -1 0 299.729 2.420 50 0 CEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2c1cccc2Cl ZINC000253370612 131142101 /nfs/dbraw/zinc/14/21/01/131142101.db2.gz TVFGZWKEGBWVQO-UMNHJUIQSA-N -1 0 279.723 2.164 50 0 CEAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000262153505 131195322 /nfs/dbraw/zinc/19/53/22/131195322.db2.gz RPUSEJGLJFIKRH-GXFFZTMASA-N -1 0 279.311 2.080 50 0 CEAARM O=C([O-])[C@@H]1CC12CCN(C(=O)C[C@H]1C=CCC1)CC2 ZINC000262414706 131219164 /nfs/dbraw/zinc/21/91/64/131219164.db2.gz JTFDKWJDBLXPQE-RYUDHWBXSA-N -1 0 263.337 2.056 50 0 CEAARM CC(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1C ZINC000263402973 131291846 /nfs/dbraw/zinc/29/18/46/131291846.db2.gz HCDUDJNYZLZMFS-CYBMUJFWSA-N -1 0 277.320 2.037 50 0 CEAARM CC(C)=CCC[C@]1(C)OC(=O)N(CCC(=O)[O-])[C@]1(C)O ZINC000002545729 394453176 /nfs/dbraw/zinc/45/31/76/394453176.db2.gz OEMDMQKKQJDYFM-UONOGXRCSA-N -1 0 285.340 2.127 50 0 CEAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)[O-])O2 ZINC000003861683 394454381 /nfs/dbraw/zinc/45/43/81/394454381.db2.gz GLEVLJDDWXEYCO-CQSZACIVSA-N -1 0 250.294 2.486 50 0 endogenous,in-man CEAARM CC(C)(C)n1nc(CC(F)(F)F)c(C(=O)[O-])c1N ZINC000072233537 394596419 /nfs/dbraw/zinc/59/64/19/394596419.db2.gz TYTBXKLXCJAEAO-UHFFFAOYSA-N -1 0 265.235 2.023 50 0 CEAARM CC1CCC(NC(=O)CCC(F)(F)F)(C(=O)[O-])CC1 ZINC000088832570 394646427 /nfs/dbraw/zinc/64/64/27/394646427.db2.gz MASBTMJRJLGLAL-UHFFFAOYSA-N -1 0 281.274 2.479 50 0 CEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1ccccc1F ZINC000208205729 395474846 /nfs/dbraw/zinc/47/48/46/395474846.db2.gz MIDOTLFPEDJGLN-LJTDUEICSA-N -1 0 277.295 2.305 50 0 CEAARM CN(CC(=O)[N-]OCc1ccccc1)c1ccccc1 ZINC000049447574 400233049 /nfs/dbraw/zinc/23/30/49/400233049.db2.gz CPJDALFYZLVLLE-UHFFFAOYSA-N -1 0 270.332 2.371 50 0 CEAARM Cc1ccc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)c(C)c1 ZINC000102905471 400256609 /nfs/dbraw/zinc/25/66/09/400256609.db2.gz HGDLTAUNNXQVGL-UHFFFAOYSA-N -1 0 296.330 2.200 50 0 CEAARM O=C([O-])c1ccc(CNC(=O)N2CCC=C(F)C2)cc1 ZINC000263326176 154058825 /nfs/dbraw/zinc/05/88/25/154058825.db2.gz KNEJDXOGMZCNEA-UHFFFAOYSA-N -1 0 278.283 2.154 50 0 CEAARM CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000263452677 154093725 /nfs/dbraw/zinc/09/37/25/154093725.db2.gz SWKTWCIZUCHURI-GUTXKFCHSA-N -1 0 297.395 2.293 50 0 CEAARM C[C@H](CN(C)c1nc2c(cccc2F)o1)C(=O)[O-] ZINC000263551431 154126538 /nfs/dbraw/zinc/12/65/38/154126538.db2.gz LDPUWSSAYOURNU-SSDOTTSWSA-N -1 0 252.245 2.124 50 0 CEAARM Cc1csc2nc(C)nc(N(C)C[C@@H](C)C(=O)[O-])c12 ZINC000263568023 154131248 /nfs/dbraw/zinc/13/12/48/154131248.db2.gz XZPSFKUHSYJWBJ-SSDOTTSWSA-N -1 0 279.365 2.465 50 0 CEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Br)cc1 ZINC000002562146 169809670 /nfs/dbraw/zinc/80/96/70/169809670.db2.gz BWNQJNHIRLCZCZ-IUCAKERBSA-N -1 0 284.109 2.108 50 0 CEAARM C[C@@H](C(=O)[O-])n1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004542274 169981095 /nfs/dbraw/zinc/98/10/95/169981095.db2.gz SABVZAXAJUTPOK-QMMMGPOBSA-N -1 0 278.695 2.209 50 0 CEAARM O=C([O-])/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000004801748 170019437 /nfs/dbraw/zinc/01/94/37/170019437.db2.gz QFQXXYIFABZRMF-XFXZXTDPSA-N -1 0 298.327 2.484 50 0 CEAARM CCc1c(C)c2ccc(OCC(=O)[O-])c(C)c2oc1=O ZINC000005546734 170111583 /nfs/dbraw/zinc/11/15/83/170111583.db2.gz HPOKAWLQUVSOOF-UHFFFAOYSA-N -1 0 276.288 2.436 50 0 CEAARM CCn1nc(C)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000005557328 170112807 /nfs/dbraw/zinc/11/28/07/170112807.db2.gz SBUSIAGUGPQSRP-VXGBXAGGSA-N -1 0 293.367 2.349 50 0 CEAARM O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1)c1ccccc1 ZINC000005775332 170139594 /nfs/dbraw/zinc/13/95/94/170139594.db2.gz WTUXUCKXLVZSCH-AWEZNQCLSA-N -1 0 285.299 2.338 50 0 CEAARM COc1ccc(-c2cc(=O)n(CCc3ccccn3)[n-]2)cc1 ZINC000005986288 170165278 /nfs/dbraw/zinc/16/52/78/170165278.db2.gz IPUBQTAMMMHDBU-UHFFFAOYSA-N -1 0 295.342 2.269 50 0 CEAARM O=c1c([O-])c(Cl)cnn1-c1cccc(Cl)c1 ZINC000006493880 170206616 /nfs/dbraw/zinc/20/66/16/170206616.db2.gz VKYHDCYMBFSBCI-UHFFFAOYSA-N -1 0 257.076 2.245 50 0 CEAARM O=C([O-])c1ccc([C@H](O)[C@H](O)c2ccccc2)cc1 ZINC000006624013 170220062 /nfs/dbraw/zinc/22/00/62/170220062.db2.gz KLYIEQHUHIVICV-KGLIPLIRSA-N -1 0 258.273 2.152 50 0 CEAARM CCOc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2CC)cc1 ZINC000006658326 170223326 /nfs/dbraw/zinc/22/33/26/170223326.db2.gz FFRAWNOOWNPECM-DZGCQCFKSA-N -1 0 291.347 2.470 50 0 CEAARM O=S(=O)([N-]CCc1ccco1)c1c(F)cccc1F ZINC000007310189 170277582 /nfs/dbraw/zinc/27/75/82/170277582.db2.gz YQGCJKFIYJDUCR-UHFFFAOYSA-N -1 0 287.287 2.079 50 0 CEAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)no1 ZINC000007422976 170283741 /nfs/dbraw/zinc/28/37/41/170283741.db2.gz JVBXAVCVDRMWKF-UHFFFAOYSA-N -1 0 274.248 2.062 50 0 CEAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1O ZINC000007779729 170302304 /nfs/dbraw/zinc/30/23/04/170302304.db2.gz GZVLBQLUCCIMPX-WDEREUQCSA-N -1 0 291.303 2.006 50 0 CEAARM Cc1c(C(=O)[O-])nnn1-c1ccccc1Br ZINC000011759233 170439625 /nfs/dbraw/zinc/43/96/25/170439625.db2.gz VZRDZUITJRPGNL-UHFFFAOYSA-N -1 0 282.097 2.036 50 0 CEAARM CCN(CC)C(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034584 170529863 /nfs/dbraw/zinc/52/98/63/170529863.db2.gz KTTWXIMQIAVOOQ-UHFFFAOYSA-N -1 0 285.727 2.285 50 0 CEAARM O=C([O-])c1csc(NC(=O)Cc2ccccc2)n1 ZINC000020332395 171151737 /nfs/dbraw/zinc/15/17/37/171151737.db2.gz WTIHMZXVCXRGDY-UHFFFAOYSA-N -1 0 262.290 2.023 50 0 CEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCCc1ccccc1 ZINC000020431019 171195598 /nfs/dbraw/zinc/19/55/98/171195598.db2.gz PJLWEWJUNPUETF-AWEZNQCLSA-N -1 0 275.348 2.475 50 0 CEAARM CC(C)[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000020722634 171270486 /nfs/dbraw/zinc/27/04/86/171270486.db2.gz BJOLOWLHTZHOKZ-AWEZNQCLSA-N -1 0 292.310 2.006 50 0 CEAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927526 171337216 /nfs/dbraw/zinc/33/72/16/171337216.db2.gz VADWPQHQZCMYNI-UHFFFAOYSA-N -1 0 285.756 2.183 50 0 CEAARM Cc1nc(S(=O)(=O)[N-]c2ccc(C)cc2C)cn1C ZINC000021940715 171338162 /nfs/dbraw/zinc/33/81/62/171338162.db2.gz DCHUPFHKOMTWPK-UHFFFAOYSA-N -1 0 279.365 2.146 50 0 CEAARM CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000021957486 171341952 /nfs/dbraw/zinc/34/19/52/171341952.db2.gz WZQGWIDABKSUST-AWEZNQCLSA-N -1 0 288.347 2.326 50 0 CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCc1cccs1 ZINC000035721572 172377159 /nfs/dbraw/zinc/37/71/59/172377159.db2.gz LOBHGTTVXOKXFX-RYUDHWBXSA-N -1 0 281.377 2.298 50 0 CEAARM Cc1nc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000037411916 173188584 /nfs/dbraw/zinc/18/85/84/173188584.db2.gz PPJFJIIXBSGTPF-NSHDSACASA-N -1 0 290.344 2.316 50 0 CEAARM Cc1ncsc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000038087171 174098389 /nfs/dbraw/zinc/09/83/89/174098389.db2.gz CWELKNIHCLWNCS-UHFFFAOYSA-N -1 0 292.316 2.167 50 0 CEAARM O=C([O-])c1ccc(Oc2nc(Cl)nc3[nH]cnc32)cc1 ZINC000040287390 174219648 /nfs/dbraw/zinc/21/96/48/174219648.db2.gz WUVLJINWJXDHFZ-UHFFFAOYSA-N -1 0 290.666 2.497 50 0 CEAARM O=C([O-])C(F)(F)c1ncccc1Br ZINC000040447935 174265500 /nfs/dbraw/zinc/26/55/00/174265500.db2.gz ZGPCZNPZDUSVFC-UHFFFAOYSA-N -1 0 252.014 2.021 50 0 CEAARM C[C@H]1CN(c2ncccc2C(=O)[O-])C[C@](C)(C(F)F)O1 ZINC000662900279 414796898 /nfs/dbraw/zinc/79/68/98/414796898.db2.gz MXYIPFPWMPODRD-ISVAXAHUSA-N -1 0 286.278 2.029 50 0 CEAARM CCc1ccsc1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043511146 175059947 /nfs/dbraw/zinc/05/99/47/175059947.db2.gz DODIHZMIYSPLEG-GFCCVEGCSA-N -1 0 285.390 2.001 50 0 CEAARM O=C([O-])C1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000043512313 175060805 /nfs/dbraw/zinc/06/08/05/175060805.db2.gz CKPUOEIWLOWEGT-UHFFFAOYSA-N -1 0 284.315 2.172 50 0 CEAARM Cc1ccoc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043583487 175070540 /nfs/dbraw/zinc/07/05/40/175070540.db2.gz KGVQHZIMWRWFCK-LLVKDONJSA-N -1 0 265.309 2.305 50 0 CEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000043584408 175070849 /nfs/dbraw/zinc/07/08/49/175070849.db2.gz RQADHPQSGCCVOD-DYLGSBMWSA-N -1 0 288.347 2.198 50 0 CEAARM Cn1cc(NC(=O)c2ccc(Br)cc2[O-])cn1 ZINC000044490686 175180586 /nfs/dbraw/zinc/18/05/86/175180586.db2.gz CNQMOVGQKXUJAE-UHFFFAOYSA-N -1 0 296.124 2.141 50 0 CEAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(-c3nccs3)cc2)C1 ZINC000044979016 175283148 /nfs/dbraw/zinc/28/31/48/175283148.db2.gz SBKWEPNBRNDDNT-SNVBAGLBSA-N -1 0 288.328 2.248 50 0 CEAARM O=C([O-])CN(C(=O)c1ccco1)C1CCCCC1 ZINC000057538535 175598216 /nfs/dbraw/zinc/59/82/16/175598216.db2.gz METADMOKKHAFTM-UHFFFAOYSA-N -1 0 251.282 2.139 50 0 CEAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C1CCCCCC1 ZINC000655600127 415358866 /nfs/dbraw/zinc/35/88/66/415358866.db2.gz YHFDMAYOCTXBAU-AWEZNQCLSA-N -1 0 290.363 2.164 50 0 CEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000062118960 175663982 /nfs/dbraw/zinc/66/39/82/175663982.db2.gz VJUNSGPDGJPLCG-SNVBAGLBSA-N -1 0 275.329 2.448 50 0 CEAARM COCc1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000072286400 176360148 /nfs/dbraw/zinc/36/01/48/176360148.db2.gz XCMCFIXUQDSPCM-UHFFFAOYSA-N -1 0 290.391 2.152 50 0 CEAARM Cc1nn(C)c([N-]S(=O)(=O)c2cc(F)ccc2C)c1C ZINC000078612500 177360424 /nfs/dbraw/zinc/36/04/24/177360424.db2.gz QVMVUNDGQVTSJD-UHFFFAOYSA-N -1 0 297.355 2.285 50 0 CEAARM COc1cccc(SCC(=O)N(C)CCCC(=O)[O-])c1 ZINC000078714174 177375156 /nfs/dbraw/zinc/37/51/56/177375156.db2.gz NZESZLKBNLWLSZ-UHFFFAOYSA-N -1 0 297.376 2.111 50 0 CEAARM CCNC(=O)c1ccnc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000215981033 419461597 /nfs/dbraw/zinc/46/15/97/419461597.db2.gz CTOWXVPOZXZXFK-UHFFFAOYSA-N -1 0 284.315 2.125 50 0 CEAARM Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000000380470 260000203 /nfs/dbraw/zinc/00/02/03/260000203.db2.gz XXOYUNQCBYNWNL-UHFFFAOYSA-N -1 0 288.781 2.328 50 0 CEAARM O=C([O-])C1CCN(C(=O)/C=C/C2CCCCC2)CC1 ZINC000238100093 270326341 /nfs/dbraw/zinc/32/63/41/270326341.db2.gz BPYTVCQKPDXJMX-VOTSOKGWSA-N -1 0 265.353 2.446 50 0 CEAARM C[C@@H]1CCc2c(sc3ncn4[n-]c(=O)nc4c23)C1 ZINC000028444118 287819665 /nfs/dbraw/zinc/81/96/65/287819665.db2.gz MHUCUXVBEQFUFJ-ZCFIWIBFSA-N -1 0 260.322 2.169 50 0 CEAARM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)[O-])C2)CC1 ZINC000066054864 278383224 /nfs/dbraw/zinc/38/32/24/278383224.db2.gz ASNXCLBPISBIFU-UHFFFAOYSA-N -1 0 269.341 2.498 50 0 CEAARM CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000032628220 278384625 /nfs/dbraw/zinc/38/46/25/278384625.db2.gz ZVMOSXHYOPBSRN-SECBINFHSA-N -1 0 255.314 2.108 50 0 CEAARM CC[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)[O-])c2N1 ZINC000004992672 288349271 /nfs/dbraw/zinc/34/92/71/288349271.db2.gz LIDGVFDRTAXEDB-CAHLUQPWSA-N -1 0 263.219 2.279 50 0 CEAARM COc1ccc2nc(N3CCC[C@@H]3C(=O)[O-])nc(C)c2c1 ZINC000299780826 295280146 /nfs/dbraw/zinc/28/01/46/295280146.db2.gz DBQQSCYWZYFNDS-CYBMUJFWSA-N -1 0 287.319 2.000 50 0 CEAARM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1F ZINC000136504825 298023326 /nfs/dbraw/zinc/02/33/26/298023326.db2.gz FIQAVBMGMPYKAE-GWCFXTLKSA-N -1 0 279.311 2.395 50 0 CEAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000041684752 300190609 /nfs/dbraw/zinc/19/06/09/300190609.db2.gz SVWMGEKWCHMGOV-JTQLQIEISA-N -1 0 277.320 2.024 50 0 CEAARM Cc1cc(C)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])[nH]1 ZINC000097035525 301170118 /nfs/dbraw/zinc/17/01/18/301170118.db2.gz WMWOUYYAJPWSOQ-CQSZACIVSA-N -1 0 298.342 2.283 50 0 CEAARM O=Cc1c(Cl)n(-c2ccccc2)nc1C(=O)[O-] ZINC000001500780 304724113 /nfs/dbraw/zinc/72/41/13/304724113.db2.gz BFBXPCJALXAIJK-UHFFFAOYSA-N -1 0 250.641 2.036 50 0 CEAARM Cc1cc(F)cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000235610550 301299337 /nfs/dbraw/zinc/29/93/37/301299337.db2.gz IEAGQUQHSIJIIK-GWCFXTLKSA-N -1 0 279.311 2.459 50 0 CEAARM Cc1ccc([C@@H](C(=O)[O-])N2CCSCC2)c(F)c1 ZINC000095359957 301705329 /nfs/dbraw/zinc/70/53/29/301705329.db2.gz XHTQOZZKIYVQFX-LBPRGKRZSA-N -1 0 269.341 2.309 50 0 CEAARM Cc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000220326465 301955115 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