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/nfs/dbraw/zinc/47/42/26/447474226.db2.gz BUTSHYMAFMGNMV-JTQLQIEISA-N -2 3 330.362 1.601 20 0 EDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c[nH]1 ZINC000427290761 447576259 /nfs/dbraw/zinc/57/62/59/447576259.db2.gz WVJUYYHAINPWQX-UHFFFAOYSA-N -3 3 328.277 1.351 20 0 EDADHL C[C@H](C(=O)[O-])C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000514733883 448195621 /nfs/dbraw/zinc/19/56/21/448195621.db2.gz RLXIGJOUCREYDK-QMMMGPOBSA-N -2 3 346.380 1.562 20 0 EDADHL CCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1nnn[n-]1 ZINC000528797528 448683129 /nfs/dbraw/zinc/68/31/29/448683129.db2.gz INHUGPXICOTYFI-JTQLQIEISA-N -2 3 340.181 1.939 20 0 EDADHL CCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1nn[n-]n1 ZINC000528797528 448683132 /nfs/dbraw/zinc/68/31/32/448683132.db2.gz INHUGPXICOTYFI-JTQLQIEISA-N -2 3 340.181 1.939 20 0 EDADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC000543785605 448748696 /nfs/dbraw/zinc/74/86/96/448748696.db2.gz NJGYSOVFONSBKM-UHFFFAOYSA-N -2 3 341.776 1.349 20 0 EDADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000520455344 448900161 /nfs/dbraw/zinc/90/01/61/448900161.db2.gz BCMDJAOWDFUNFD-NSHDSACASA-N -2 3 347.364 1.534 20 0 EDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)c1 ZINC000547938164 448950846 /nfs/dbraw/zinc/95/08/46/448950846.db2.gz XHNYOMOSCZPOAL-NSHDSACASA-N -2 3 329.403 1.630 20 0 EDADHL COC[C@@H](C)S(=O)(=O)[N-]c1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000547876889 448942494 /nfs/dbraw/zinc/94/24/94/448942494.db2.gz PYUHWLPLSHZRPZ-SNVBAGLBSA-N -2 3 339.373 1.347 20 0 EDADHL Cc1nn2cc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])cnc2c1Cl ZINC000582038682 448993312 /nfs/dbraw/zinc/99/33/12/448993312.db2.gz GENDFZSXPMSKKJ-UHFFFAOYSA-N -2 3 346.796 1.223 20 0 EDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)[C@H]1CCOC1 ZINC000548532978 449057663 /nfs/dbraw/zinc/05/76/63/449057663.db2.gz WIWKGKURQNQTLJ-CPCISQLKSA-N -2 3 337.756 1.247 20 0 EDADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)ccc1[O-] ZINC000600668444 449482421 /nfs/dbraw/zinc/48/24/21/449482421.db2.gz VWXSQAPHLWXFQS-UHFFFAOYSA-N -2 3 349.368 1.647 20 0 EDADHL O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000614388948 449590128 /nfs/dbraw/zinc/59/01/28/449590128.db2.gz JLRBXTIXZDQBCF-SECBINFHSA-N -2 3 329.316 1.377 20 0 EDADHL O=C(c1ccc2[nH][n-]c(=O)c2c1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000614764405 449804258 /nfs/dbraw/zinc/80/42/58/449804258.db2.gz UWDMTPIUFRBQIE-LLVKDONJSA-N -2 3 328.332 1.460 20 0 EDADHL COc1ccc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c([O-])c1 ZINC000622000503 450981392 /nfs/dbraw/zinc/98/13/92/450981392.db2.gz PPHILUVIBHPHHD-JTQLQIEISA-N -2 3 346.343 1.168 20 0 EDADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(F)F ZINC000641703029 452210624 /nfs/dbraw/zinc/21/06/24/452210624.db2.gz ZCVIVIWZRBEMDK-LURJTMIESA-N -2 3 346.352 1.129 20 0 EDADHL CC(C)[C@@H](CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000655569229 452390282 /nfs/dbraw/zinc/39/02/82/452390282.db2.gz ZEZBFYQYMXEDMP-SNVBAGLBSA-N -2 3 346.380 1.284 20 0 EDADHL COC1(CS(=O)(=O)[N-]c2cc([O-])c(F)cc2F)CCOCC1 ZINC000650206079 452603778 /nfs/dbraw/zinc/60/37/78/452603778.db2.gz JKOSWMFBCLEBAI-UHFFFAOYSA-N -2 3 337.344 1.608 20 0 EDADHL C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000655872550 452628196 /nfs/dbraw/zinc/62/81/96/452628196.db2.gz PWSVMVQCWVJGOE-SSDOTTSWSA-N -2 3 331.166 1.675 20 0 EDADHL COc1cccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1F ZINC000656156611 452908370 /nfs/dbraw/zinc/90/83/70/452908370.db2.gz NTNHJLHNIMVTNP-ZCFIWIBFSA-N -2 3 327.280 1.221 20 0 EDADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-])C1CC1 ZINC000656168423 452925950 /nfs/dbraw/zinc/92/59/50/452925950.db2.gz HKRLYJGCUHMKOF-NWDGAFQWSA-N -2 3 331.365 1.372 20 0 EDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000650699727 452940237 /nfs/dbraw/zinc/94/02/37/452940237.db2.gz KOEQXSODKZVWCU-IEBDPFPHSA-N -2 3 329.349 1.431 20 0 EDADHL COC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCCC1 ZINC000645996711 452990805 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3 347.371 1.114 20 0 EDADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000262370825 535514522 /nfs/dbraw/zinc/51/45/22/535514522.db2.gz GEMWFGXQVJIONN-NSHDSACASA-N -2 3 334.376 1.547 20 0 EDADHL CCC[C@@](C)(NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000262322507 535531248 /nfs/dbraw/zinc/53/12/48/535531248.db2.gz RWBSAENOAQDJPB-TVQRCGJNSA-N -2 3 348.446 1.175 20 0 EDADHL CN(CCCC(=O)[O-])C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000262647723 536327619 /nfs/dbraw/zinc/32/76/19/536327619.db2.gz REPPFXFEUNGASL-UHFFFAOYSA-N -2 3 332.353 1.134 20 0 EDADHL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)N2CC[C@@H](C)C2)c1OC ZINC000349958169 536543395 /nfs/dbraw/zinc/54/33/95/536543395.db2.gz HCAUJXBEWATHAX-SECBINFHSA-N -2 3 344.389 1.401 20 0 EDADHL O=C([O-])N1CCC[C@@H](CNC(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000740413174 579342995 /nfs/dbraw/zinc/34/29/95/579342995.db2.gz GXDRYXOXNUQGER-NSHDSACASA-N -2 3 329.356 1.648 20 0 EDADHL O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000740623355 579370304 /nfs/dbraw/zinc/37/03/04/579370304.db2.gz FNMUXQHYELSSNW-GXSJLCMTSA-N -2 3 330.344 1.502 20 0 EDADHL O=C([O-])NCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000740001839 578491952 /nfs/dbraw/zinc/49/19/52/578491952.db2.gz RMKZOCUDWZOCCA-ZDUSSCGKSA-N -2 3 328.390 1.765 20 0 EDADHL CC(C)(C)C=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735594860 578903138 /nfs/dbraw/zinc/90/31/38/578903138.db2.gz WPSUEVJNLRPQAD-CMDGGOBGSA-N -2 3 349.416 1.415 20 0 EDADHL CC(C)(C)C=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735594860 578903139 /nfs/dbraw/zinc/90/31/39/578903139.db2.gz WPSUEVJNLRPQAD-CMDGGOBGSA-N -2 3 349.416 1.415 20 0 EDADHL CCCC=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736440415 578989174 /nfs/dbraw/zinc/98/91/74/578989174.db2.gz ZZPJPFHFLMBAMA-SNAWJCMRSA-N -2 3 335.389 1.169 20 0 EDADHL CCCC=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736440415 578989175 /nfs/dbraw/zinc/98/91/75/578989175.db2.gz ZZPJPFHFLMBAMA-SNAWJCMRSA-N -2 3 335.389 1.169 20 0 EDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736779700 579019522 /nfs/dbraw/zinc/01/95/22/579019522.db2.gz LQQFKRZCCXCXDV-UHFFFAOYSA-N -2 3 345.388 1.129 20 0 EDADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736779700 579019523 /nfs/dbraw/zinc/01/95/23/579019523.db2.gz LQQFKRZCCXCXDV-UHFFFAOYSA-N -2 3 345.388 1.129 20 0 EDADHL CCCOc1ncccc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737034758 579042449 /nfs/dbraw/zinc/04/24/49/579042449.db2.gz DGVQSKUKAIDOPR-UHFFFAOYSA-N -2 3 340.357 1.640 20 0 EDADHL CN(CC1CC1)C(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737410508 579086844 /nfs/dbraw/zinc/08/68/44/579086844.db2.gz URFOKLOOWVSIJV-UHFFFAOYSA-N -2 3 340.807 1.801 20 0 EDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCCC1 ZINC000738138721 579163487 /nfs/dbraw/zinc/16/34/87/579163487.db2.gz IGVRYGZRTGLBAE-UHFFFAOYSA-N -2 3 349.416 1.642 20 0 EDADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCCC1 ZINC000738138721 579163489 /nfs/dbraw/zinc/16/34/89/579163489.db2.gz IGVRYGZRTGLBAE-UHFFFAOYSA-N -2 3 349.416 1.642 20 0 EDADHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738318760 579185811 /nfs/dbraw/zinc/18/58/11/579185811.db2.gz MCNKZJGWLOGRFL-UVTDQMKNSA-N -2 3 332.323 1.328 20 0 EDADHL O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738318760 579185812 /nfs/dbraw/zinc/18/58/12/579185812.db2.gz MCNKZJGWLOGRFL-UVTDQMKNSA-N -2 3 332.323 1.328 20 0 EDADHL O=C([O-])Cc1nc([N-]C(=O)c2occc2COc2ccccc2)n[nH]1 ZINC000739899385 579264691 /nfs/dbraw/zinc/26/46/91/579264691.db2.gz MADZHVUBMMVLRW-UHFFFAOYSA-N -2 3 342.311 1.856 20 0 EDADHL COc1ccccc1-c1nc(NC(=O)CC(C)(C)NC(=O)[O-])n[n-]1 ZINC000739954244 579273297 /nfs/dbraw/zinc/27/32/97/579273297.db2.gz OINFEBUFJIOZGV-UHFFFAOYSA-N -2 3 333.348 1.855 20 0 EDADHL O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000740056412 579285105 /nfs/dbraw/zinc/28/51/05/579285105.db2.gz BFVZNDQRKXQJHZ-SCZZXKLOSA-N -2 3 329.312 1.101 20 0 EDADHL 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O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)CCC2 ZINC000823582916 594219207 /nfs/dbraw/zinc/21/92/07/594219207.db2.gz DBLJOQQFKLDPRG-UHFFFAOYSA-N -2 3 342.384 1.551 20 0 EDADHL C[C@H](CS(=O)(=O)[N-]Cc1nnc(-c2ccccc2)s1)C(=O)[O-] ZINC000827571872 594235047 /nfs/dbraw/zinc/23/50/47/594235047.db2.gz UJKHGBHUAHXRAD-SECBINFHSA-N -2 3 341.414 1.345 20 0 EDADHL C/C(=C\COC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1)C(=O)[O-] ZINC000825787088 594245860 /nfs/dbraw/zinc/24/58/60/594245860.db2.gz VKVNVCTYEVKZRC-XBXARRHUSA-N -2 3 345.311 1.020 20 0 EDADHL CCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1OC)c1nn[n-]n1 ZINC000829802322 594267823 /nfs/dbraw/zinc/26/78/23/594267823.db2.gz ZTQTXFISBSKZKC-JTQLQIEISA-N -2 3 325.319 1.958 20 0 EDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000825907745 594274740 /nfs/dbraw/zinc/27/47/40/594274740.db2.gz BJMFWVWFAWAOHM-HNNXBMFYSA-N -2 3 342.351 1.949 20 0 EDADHL Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])on1 ZINC000830096869 594336416 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Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000584768931 448623502 /nfs/dbraw/zinc/62/35/02/448623502.db2.gz LLQNEXSBPOKBTD-QWHCGFSZSA-N -2 3 336.369 1.883 20 0 EDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H](O)Cc1ccccc1 ZINC000567556102 448712035 /nfs/dbraw/zinc/71/20/35/448712035.db2.gz GPDZQRBPLOEOBJ-WCQYABFASA-N -2 3 341.410 1.083 20 0 EDADHL CCOc1ccncc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC000519752653 448834751 /nfs/dbraw/zinc/83/47/51/448834751.db2.gz DAZSUPBJALPHSB-UHFFFAOYSA-N -2 3 328.390 1.546 20 0 EDADHL COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000592445396 448840665 /nfs/dbraw/zinc/84/06/65/448840665.db2.gz MYXGDNITOKMPLH-SECBINFHSA-N -2 3 349.430 1.702 20 0 EDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000568352878 448858465 /nfs/dbraw/zinc/85/84/65/448858465.db2.gz JDAPJQHDCUYVNS-JTQLQIEISA-N -2 3 335.809 1.984 20 0 EDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000547542046 448897148 /nfs/dbraw/zinc/89/71/48/448897148.db2.gz ZUGRYVYSGXWCMF-GFCCVEGCSA-N -2 3 344.389 1.949 20 0 EDADHL CC(C)n1cnc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1 ZINC000547875245 448942327 /nfs/dbraw/zinc/94/23/27/448942327.db2.gz YZDHCKOHFQLQCB-UHFFFAOYSA-N -2 3 330.391 1.097 20 0 EDADHL CCn1cnc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000521580088 448997056 /nfs/dbraw/zinc/99/70/56/448997056.db2.gz XTYAVNOYYIJGHG-QWHCGFSZSA-N -2 3 335.385 1.495 20 0 EDADHL COc1ccc2c(c1)[n-]cc(C(=O)NC1CCC(C(=O)[O-])CC1)c2=O ZINC000575123622 449041781 /nfs/dbraw/zinc/04/17/81/449041781.db2.gz QIPZRGMBCKQMSD-UHFFFAOYSA-N -2 3 344.367 1.910 20 0 EDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccccc1F)Cc1ccccn1 ZINC000548531093 449056492 /nfs/dbraw/zinc/05/64/92/449056492.db2.gz PLGIRJBDLNVZAY-NSHDSACASA-N -2 3 338.360 1.443 20 0 EDADHL CSc1nc([N-]S(=O)(=O)CCc2c(F)cccc2F)n[n-]1 ZINC000629348433 450627174 /nfs/dbraw/zinc/62/71/74/450627174.db2.gz WMMUCTGGTFEOGS-UHFFFAOYSA-N -2 3 334.373 1.789 20 0 EDADHL COc1ccc([N-]S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c([O-])c1 ZINC000634791956 451552304 /nfs/dbraw/zinc/55/23/04/451552304.db2.gz VRYYGGOVLMKQEE-OAHLLOKOSA-N -2 3 345.417 1.727 20 0 EDADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000629287946 451640899 /nfs/dbraw/zinc/64/08/99/451640899.db2.gz DQEXCSRFZFFBIZ-CYBMUJFWSA-N -2 3 337.405 1.424 20 0 EDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)[C@@H]1CCCCO1 ZINC000656180454 452942207 /nfs/dbraw/zinc/94/22/07/452942207.db2.gz HARYNTIBEIAQMJ-NEPJUHHUSA-N -2 3 331.390 1.912 20 0 EDADHL COc1cc(C(=O)[O-])ccc1CC[N-]S(=O)(=O)c1ccc(C)o1 ZINC000646042664 453044791 /nfs/dbraw/zinc/04/47/91/453044791.db2.gz RGOVUMWZVABJPH-UHFFFAOYSA-N -2 3 339.369 1.816 20 0 EDADHL COc1cccc(OC)c1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000656723454 453405752 /nfs/dbraw/zinc/40/57/52/453405752.db2.gz HIGASAVBAWSKPC-ZDUSSCGKSA-N -2 3 335.353 1.185 20 0 EDADHL CCc1noc2ncc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])cc12 ZINC000656725048 453410275 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CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736352109 578981681 /nfs/dbraw/zinc/98/16/81/578981681.db2.gz VXAFNEKFUWHXNB-MDZDMXLPSA-N -2 3 349.416 1.515 20 0 EDADHL CCC(CC)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736352109 578981682 /nfs/dbraw/zinc/98/16/82/578981682.db2.gz VXAFNEKFUWHXNB-MDZDMXLPSA-N -2 3 349.416 1.515 20 0 EDADHL CC(C)[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])c1nc(C2CC2)no1 ZINC000736388657 578984518 /nfs/dbraw/zinc/98/45/18/578984518.db2.gz BRDOWNHARQHJFC-LLVKDONJSA-N -2 3 331.394 1.428 20 0 EDADHL CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736438380 578989060 /nfs/dbraw/zinc/98/90/60/578989060.db2.gz JJNCCPPWPBZJDP-UHFFFAOYSA-N -2 3 343.796 1.515 20 0 EDADHL CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736438380 578989061 /nfs/dbraw/zinc/98/90/61/578989061.db2.gz JJNCCPPWPBZJDP-UHFFFAOYSA-N -2 3 343.796 1.515 20 0 EDADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737142131 579051487 /nfs/dbraw/zinc/05/14/87/579051487.db2.gz SYKLEYHVZKLKMF-UHFFFAOYSA-N -2 3 349.347 1.815 20 0 EDADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737142131 579051488 /nfs/dbraw/zinc/05/14/88/579051488.db2.gz SYKLEYHVZKLKMF-UHFFFAOYSA-N -2 3 349.347 1.815 20 0 EDADHL COc1cccnc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737155973 579052645 /nfs/dbraw/zinc/05/26/45/579052645.db2.gz PWEPREISKCEZRY-UHFFFAOYSA-N -2 3 346.372 1.380 20 0 EDADHL COc1cccnc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737155973 579052646 /nfs/dbraw/zinc/05/26/46/579052646.db2.gz PWEPREISKCEZRY-UHFFFAOYSA-N -2 3 346.372 1.380 20 0 EDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCCCC(=O)[O-])ccc1F ZINC000737640877 579124631 /nfs/dbraw/zinc/12/46/31/579124631.db2.gz ITKCAZJWTPAABP-UHFFFAOYSA-N -2 3 347.364 1.534 20 0 EDADHL CC(C)OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761259773 580053148 /nfs/dbraw/zinc/05/31/48/580053148.db2.gz MFLGXZWWQGVHQJ-UHFFFAOYSA-N -2 3 337.344 1.756 20 0 EDADHL CCN(CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000739433875 579205396 /nfs/dbraw/zinc/20/53/96/579205396.db2.gz IBYZKZVWBMBURI-UHFFFAOYSA-N -2 3 342.204 1.667 20 0 EDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C)C2)c1F ZINC000761309863 580054744 /nfs/dbraw/zinc/05/47/44/580054744.db2.gz SPHXIELFARXFSS-MWLCHTKSSA-N -2 3 331.365 1.678 20 0 EDADHL Cc1c([O-])ccc2c(CN3CCN(C(=O)[O-])[C@@H](C)C3)cc(=O)oc12 ZINC000740049672 579284112 /nfs/dbraw/zinc/28/41/12/579284112.db2.gz NCZJQBLEYLGRSQ-JTQLQIEISA-N -2 3 332.356 1.991 20 0 EDADHL Cc1nc(C)c(CCC(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c(=O)[n-]1 ZINC000740216480 579301390 /nfs/dbraw/zinc/30/13/90/579301390.db2.gz HDJRDLNDUIYVJS-TVQRCGJNSA-N -2 3 336.392 1.236 20 0 EDADHL COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])cc1F ZINC000772198843 580305022 /nfs/dbraw/zinc/30/50/22/580305022.db2.gz ITCHFRMBAHWHQM-MRVPVSSYSA-N -2 3 333.337 1.001 20 0 EDADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000776572998 580421548 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/nfs/dbraw/zinc/50/55/85/592505585.db2.gz IRNZOMBRINPXFV-SSDOTTSWSA-N -2 3 337.369 1.837 20 0 EDADHL C[C@@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000906008547 592716763 /nfs/dbraw/zinc/71/67/63/592716763.db2.gz HVRVQYYQRBUKFN-HQJQHLMTSA-N -2 3 339.822 1.702 20 0 EDADHL O=C([O-])[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCOCC1 ZINC000910016794 592751257 /nfs/dbraw/zinc/75/12/57/592751257.db2.gz ZPZXQXXJGQSASZ-MRXNPFEDSA-N -2 3 339.363 1.850 20 0 EDADHL Cc1nc(C2CC2)oc1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838915181 593231708 /nfs/dbraw/zinc/23/17/08/593231708.db2.gz UVBTTZIGBACXGF-UHFFFAOYSA-N -2 3 347.356 1.250 20 0 EDADHL O=C(C[C@@H]1CCC(F)(F)C1)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000838915284 593231880 /nfs/dbraw/zinc/23/18/80/593231880.db2.gz VLLIORXPJCDPBJ-QMMMGPOBSA-N -2 3 344.343 1.588 20 0 EDADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1 ZINC000819818753 593770877 /nfs/dbraw/zinc/77/08/77/593770877.db2.gz VJYOEPRTUYQTLM-UHFFFAOYSA-N -2 3 345.344 1.240 20 0 EDADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1 ZINC000819818753 593770878 /nfs/dbraw/zinc/77/08/78/593770878.db2.gz VJYOEPRTUYQTLM-UHFFFAOYSA-N -2 3 345.344 1.240 20 0 EDADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000820187512 593797996 /nfs/dbraw/zinc/79/79/96/593797996.db2.gz FDZZUWLIIQLWQA-UHFFFAOYSA-N -2 3 334.361 1.779 20 0 EDADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000820187512 593797997 /nfs/dbraw/zinc/79/79/97/593797997.db2.gz FDZZUWLIIQLWQA-UHFFFAOYSA-N -2 3 334.361 1.779 20 0 EDADHL C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820321515 593809544 /nfs/dbraw/zinc/80/95/44/593809544.db2.gz HMRDYKSSMXEZFC-ZLKJLUDKSA-N -2 3 341.371 1.711 20 0 EDADHL C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820321515 593809545 /nfs/dbraw/zinc/80/95/45/593809545.db2.gz HMRDYKSSMXEZFC-ZLKJLUDKSA-N -2 3 341.371 1.711 20 0 EDADHL CC1(C)C(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000820586710 593838497 /nfs/dbraw/zinc/83/84/97/593838497.db2.gz ZAZNAUGQLNNDEL-UHFFFAOYSA-N -2 3 349.416 1.354 20 0 EDADHL CC1(C)C(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000820586710 593838499 /nfs/dbraw/zinc/83/84/99/593838499.db2.gz ZAZNAUGQLNNDEL-UHFFFAOYSA-N -2 3 349.416 1.354 20 0 EDADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820691164 593864433 /nfs/dbraw/zinc/86/44/33/593864433.db2.gz VZOUWEKWLPKJFP-PWSUYJOCSA-N -2 3 349.416 1.498 20 0 EDADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820691164 593864435 /nfs/dbraw/zinc/86/44/35/593864435.db2.gz VZOUWEKWLPKJFP-PWSUYJOCSA-N -2 3 349.416 1.498 20 0 EDADHL COc1cccc(S([O-])=CC(=O)OCc2nc(C(C)C)n[n-]2)c1 ZINC000821186003 593985633 /nfs/dbraw/zinc/98/56/33/593985633.db2.gz HFYGXOHFEMBHBJ-HSZRJFAPSA-N -2 3 337.401 1.788 20 0 EDADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000824544139 594035762 /nfs/dbraw/zinc/03/57/62/594035762.db2.gz NATKNWDUNUHJMA-GFCCVEGCSA-N -2 3 349.435 1.289 20 0 EDADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824897860 594093354 /nfs/dbraw/zinc/09/33/54/594093354.db2.gz BZMXIFGFSWFRQZ-GWCFXTLKSA-N -2 3 349.416 1.249 20 0 EDADHL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824897860 594093355 /nfs/dbraw/zinc/09/33/55/594093355.db2.gz BZMXIFGFSWFRQZ-GWCFXTLKSA-N -2 3 349.416 1.249 20 0 EDADHL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824927052 594098513 /nfs/dbraw/zinc/09/85/13/594098513.db2.gz LTAKFBFTXMLKHN-JQWIXIFHSA-N -2 3 349.416 1.249 20 0 EDADHL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824927052 594098515 /nfs/dbraw/zinc/09/85/15/594098515.db2.gz LTAKFBFTXMLKHN-JQWIXIFHSA-N -2 3 349.416 1.249 20 0 EDADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050705 594122188 /nfs/dbraw/zinc/12/21/88/594122188.db2.gz LEFRYDMOGUCOQN-NXEZZACHSA-N -2 3 337.405 1.354 20 0 EDADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050705 594122189 /nfs/dbraw/zinc/12/21/89/594122189.db2.gz LEFRYDMOGUCOQN-NXEZZACHSA-N -2 3 337.405 1.354 20 0 EDADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)s1 ZINC000823588737 594219555 /nfs/dbraw/zinc/21/95/55/594219555.db2.gz AOERFEXREGGEOZ-UHFFFAOYSA-N -2 3 348.822 1.839 20 0 EDADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000829692071 594241290 /nfs/dbraw/zinc/24/12/90/594241290.db2.gz VNYSEWUCPUFKDR-SNVBAGLBSA-N -2 3 341.389 1.529 20 0 EDADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc3nonc32)CCCCCC1 ZINC000830042961 594323405 /nfs/dbraw/zinc/32/34/05/594323405.db2.gz CGBYQDVEAUGRDY-UHFFFAOYSA-N -2 3 339.373 1.679 20 0 EDADHL Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H]2CCN(C(=O)[O-])C2)cc1F ZINC000830054434 594325722 /nfs/dbraw/zinc/32/57/22/594325722.db2.gz ATMGUKCIIVMISO-JTQLQIEISA-N -2 3 348.371 1.942 20 0 EDADHL Cc1ccc(-c2nnc(NC(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)[n-]2)o1 ZINC000830159331 594347227 /nfs/dbraw/zinc/34/72/27/594347227.db2.gz FOGSFTDVTVDPJE-SNVBAGLBSA-N -2 3 349.347 1.471 20 0 EDADHL Cc1ccc(-c2nc(NC(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)n[n-]2)o1 ZINC000830159331 594347230 /nfs/dbraw/zinc/34/72/30/594347230.db2.gz FOGSFTDVTVDPJE-SNVBAGLBSA-N -2 3 349.347 1.471 20 0 EDADHL Cc1ccc(-c2n[n-]c(NC(=O)CO[C@@H]3CCCN(C(=O)[O-])C3)n2)o1 ZINC000830159331 594347233 /nfs/dbraw/zinc/34/72/33/594347233.db2.gz FOGSFTDVTVDPJE-SNVBAGLBSA-N -2 3 349.347 1.471 20 0 EDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000830174311 594349785 /nfs/dbraw/zinc/34/97/85/594349785.db2.gz IDLVGKDXPPZQKP-MRVPVSSYSA-N -2 3 333.362 1.376 20 0 EDADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000826186571 594368593 /nfs/dbraw/zinc/36/85/93/594368593.db2.gz ZQPYWCKNKQLMIT-UHFFFAOYSA-N -2 3 329.291 1.972 20 0 EDADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000826186571 594368596 /nfs/dbraw/zinc/36/85/96/594368596.db2.gz ZQPYWCKNKQLMIT-UHFFFAOYSA-N -2 3 329.291 1.972 20 0 EDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC1(C)C ZINC000826279104 594409632 /nfs/dbraw/zinc/40/96/32/594409632.db2.gz FUWHZGFRCJZBDN-SNVBAGLBSA-N -2 3 335.389 1.026 20 0 EDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC1(C)C ZINC000826279104 594409633 /nfs/dbraw/zinc/40/96/33/594409633.db2.gz FUWHZGFRCJZBDN-SNVBAGLBSA-N -2 3 335.389 1.026 20 0 EDADHL Cc1ccc(C=CS(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)cc1 ZINC000826285974 594410488 /nfs/dbraw/zinc/41/04/88/594410488.db2.gz PLDSKTKDEKHVJC-SREVYHEPSA-N -2 3 331.361 1.311 20 0 EDADHL Cc1ccc(C=CS(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826285974 594410490 /nfs/dbraw/zinc/41/04/90/594410490.db2.gz PLDSKTKDEKHVJC-SREVYHEPSA-N -2 3 331.361 1.311 20 0 EDADHL Cc1nc(C)c(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c(=O)[n-]1 ZINC000830715909 594463428 /nfs/dbraw/zinc/46/34/28/594463428.db2.gz LEHKUZFXWFWGOS-GFCCVEGCSA-N -2 3 334.376 1.085 20 0 EDADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492893 594499788 /nfs/dbraw/zinc/49/97/88/594499788.db2.gz KAXTYSGGLDXHQH-UHFFFAOYSA-N -2 3 336.764 1.716 20 0 EDADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492893 594499790 /nfs/dbraw/zinc/49/97/90/594499790.db2.gz KAXTYSGGLDXHQH-UHFFFAOYSA-N -2 3 336.764 1.716 20 0 EDADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000828809995 594508211 /nfs/dbraw/zinc/50/82/11/594508211.db2.gz DDQLILAWBMSMDA-UHFFFAOYSA-N -2 3 349.430 1.847 20 0 EDADHL COC(=O)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCC1 ZINC000831138972 594566637 /nfs/dbraw/zinc/56/66/37/594566637.db2.gz RWQVONMKNLMLTD-UHFFFAOYSA-N -2 3 331.346 1.050 20 0 EDADHL CC(C)COC[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1ccco1 ZINC000826900953 594598260 /nfs/dbraw/zinc/59/82/60/594598260.db2.gz ZAQLUDMZUJPXRY-RYUDHWBXSA-N -2 3 333.406 1.633 20 0 EDADHL CC(C)CS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000826909883 594599903 /nfs/dbraw/zinc/59/99/03/594599903.db2.gz OGQHZBJHFUMPHE-JTQLQIEISA-N -2 3 346.430 1.127 20 0 EDADHL CCN(CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-] ZINC000827129711 594645503 /nfs/dbraw/zinc/64/55/03/594645503.db2.gz LEGHIAQCZOTJPU-UHFFFAOYSA-N -2 3 348.377 1.043 20 0 EDADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000827374603 594666050 /nfs/dbraw/zinc/66/60/50/594666050.db2.gz JGQVTDDCASKDFO-CYBMUJFWSA-N -2 3 346.427 1.892 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)C[C@H]1CCOC1 ZINC000831929102 594712071 /nfs/dbraw/zinc/71/20/71/594712071.db2.gz BYCCKHXYNUYOIU-DTWKUNHWSA-N -2 3 349.430 1.548 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCN1CC[C@@H](C)C1 ZINC000831939229 594713042 /nfs/dbraw/zinc/71/30/42/594713042.db2.gz GZRBCWUXZXJRQG-SECBINFHSA-N -2 3 348.446 1.075 20 0 EDADHL O=C([O-])N[C@@H](CCC(=O)N1CCc2n[n-]nc2C1)c1ccccc1 ZINC000832120499 594727719 /nfs/dbraw/zinc/72/77/19/594727719.db2.gz QCPAAMOMAFMWRF-LBPRGKRZSA-N -2 3 329.360 1.479 20 0 EDADHL O=C([O-])NC1(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000832171662 594732148 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347.364 1.310 20 0 EDADHL Cc1nc(C)c(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])s1 ZINC000592447591 448842536 /nfs/dbraw/zinc/84/25/36/448842536.db2.gz FGBBTRWZFJQOCK-SSDOTTSWSA-N -2 3 338.476 1.492 20 0 EDADHL CCc1nc(C[N-]S(=O)(=O)Cc2cc(C)no2)ccc1C(=O)[O-] ZINC000547563634 448901233 /nfs/dbraw/zinc/90/12/33/448901233.db2.gz WAFQWZPRDMBAOF-UHFFFAOYSA-N -2 3 339.373 1.258 20 0 EDADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000548269307 449009274 /nfs/dbraw/zinc/00/92/74/449009274.db2.gz VGFBTNDRPFAYAQ-GFCCVEGCSA-N -2 3 345.348 1.144 20 0 EDADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000548267497 449009483 /nfs/dbraw/zinc/00/94/83/449009483.db2.gz JSAJWCUANVPQMC-NSHDSACASA-N -2 3 347.462 1.159 20 0 EDADHL CCCSC[C@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000548575382 449062079 /nfs/dbraw/zinc/06/20/79/449062079.db2.gz GECIPXMGYMTEPG-NSHDSACASA-N -2 3 349.478 1.414 20 0 EDADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000548592716 449062897 /nfs/dbraw/zinc/06/28/97/449062897.db2.gz KFJSQSTYKWIUQJ-QWHCGFSZSA-N -2 3 330.381 1.923 20 0 EDADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@H](CC)CC(=O)[O-] ZINC000548593919 449063438 /nfs/dbraw/zinc/06/34/38/449063438.db2.gz RQUYOZKSJSURTN-SECBINFHSA-N -2 3 347.389 1.408 20 0 EDADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)s1 ZINC000593273733 449202280 /nfs/dbraw/zinc/20/22/80/449202280.db2.gz MVQZJUBDZLNSRU-ZETCQYMHSA-N -2 3 333.387 1.066 20 0 EDADHL CCO[C@H]1C[C@](NC(=O)c2ccc(OC)cc2[O-])(C(=O)[O-])C1(C)C ZINC000622000454 450981324 /nfs/dbraw/zinc/98/13/24/450981324.db2.gz NLMJICCMJNYJCT-GUYCJALGSA-N -2 3 337.372 1.789 20 0 EDADHL COc1cccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c1[O-] ZINC000622612290 451178790 /nfs/dbraw/zinc/17/87/90/451178790.db2.gz TYJNHFQFDZGHEJ-CYBMUJFWSA-N -2 3 325.328 1.433 20 0 EDADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCCOC1 ZINC000630430999 451188164 /nfs/dbraw/zinc/18/81/64/451188164.db2.gz AQNFWZYPUVHQKF-ZDUSSCGKSA-N -2 3 335.328 1.125 20 0 EDADHL COC(C)(C)c1nc(=NC(=O)c2cc(C(F)(F)F)n[n-]2)s[n-]1 ZINC000634150469 451211637 /nfs/dbraw/zinc/21/16/37/451211637.db2.gz ZOIRPESPWQDZOX-UHFFFAOYSA-N -2 3 335.311 1.836 20 0 EDADHL COC(C)(C)c1nc(=NC(=O)c2cc(C(F)(F)F)[n-]n2)s[n-]1 ZINC000634150469 451211640 /nfs/dbraw/zinc/21/16/40/451211640.db2.gz ZOIRPESPWQDZOX-UHFFFAOYSA-N -2 3 335.311 1.836 20 0 EDADHL COc1ccc([N-]S(=O)(=O)C[C@]2(OC(C)C)CCOC2)c([O-])c1 ZINC000634791955 451552633 /nfs/dbraw/zinc/55/26/33/451552633.db2.gz VRYYGGOVLMKQEE-HNNXBMFYSA-N -2 3 345.417 1.727 20 0 EDADHL Cn1[n-]c([C@H]2CCCN2C(=O)Cc2ccc([O-])c(Cl)c2)nc1=N ZINC000632880617 451629028 /nfs/dbraw/zinc/62/90/28/451629028.db2.gz WEDIJKBOTMXKSI-LLVKDONJSA-N -2 3 335.795 1.493 20 0 EDADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccccc2F)C(=O)[O-])CCC1 ZINC000650432094 452762866 /nfs/dbraw/zinc/76/28/66/452762866.db2.gz NDZXYTBNNJDLIC-NSHDSACASA-N -2 3 331.365 1.516 20 0 EDADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000650443138 452774172 /nfs/dbraw/zinc/77/41/72/452774172.db2.gz QQJZTSLBMQXXIL-UHFFFAOYSA-N -2 3 339.291 1.713 20 0 EDADHL O=C([O-])[C@]1([N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCOC1 ZINC000654775968 452908338 /nfs/dbraw/zinc/90/83/38/452908338.db2.gz FBGCCPGUNZBRLN-LBPRGKRZSA-N -2 3 337.756 1.142 20 0 EDADHL Cc1oc(S(=O)(=O)[N-]CCc2ncc(C)cc2C)cc1C(=O)[O-] ZINC000656180396 452942099 /nfs/dbraw/zinc/94/20/99/452942099.db2.gz IWXHITHMGDFTFO-UHFFFAOYSA-N -2 3 338.385 1.819 20 0 EDADHL COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656181763 452942796 /nfs/dbraw/zinc/94/27/96/452942796.db2.gz VXNWLXBDOVTOIJ-MRVPVSSYSA-N -2 3 336.435 1.571 20 0 EDADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1)[C@@H]1CCOC1 ZINC000656623792 453330364 /nfs/dbraw/zinc/33/03/64/453330364.db2.gz HKRLKIRRUJJDDV-TZMCWYRMSA-N -2 3 343.401 1.107 20 0 EDADHL CCc1cc(=O)[n-]c(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)n1 ZINC000656758474 453437777 /nfs/dbraw/zinc/43/77/77/453437777.db2.gz ZQAKWOMABFEXIS-BDAKNGLRSA-N -2 3 333.310 1.830 20 0 EDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000663086131 453676673 /nfs/dbraw/zinc/67/66/73/453676673.db2.gz XJGGTQLOPARBMV-IRXDYDNUSA-N -2 3 345.355 1.181 20 0 EDADHL COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)n[n-]1 ZINC000657104370 453683100 /nfs/dbraw/zinc/68/31/00/453683100.db2.gz OMEBIDPZKQCQSF-UHFFFAOYSA-N -2 3 334.760 1.222 20 0 EDADHL CCOc1ccncc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C1CCC1 ZINC000663256328 453748868 /nfs/dbraw/zinc/74/88/68/453748868.db2.gz NETDSGRCKPRKAN-LLVKDONJSA-N -2 3 328.390 1.260 20 0 EDADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1C ZINC000663422740 453793893 /nfs/dbraw/zinc/79/38/93/453793893.db2.gz NNSIGSOKEPYPHS-UHFFFAOYSA-N -2 3 341.389 1.598 20 0 EDADHL CCc1nc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])cn1CC1CC1 ZINC000663427213 453795422 /nfs/dbraw/zinc/79/54/22/453795422.db2.gz SQSDXRFBXUSQNS-NEPJUHHUSA-N -2 3 341.433 1.387 20 0 EDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000663431820 453796756 /nfs/dbraw/zinc/79/67/56/453796756.db2.gz OUKLHQXNECZDGW-KWCYVHTRSA-N -2 3 337.328 1.734 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c[nH]1 ZINC000681580453 487095977 /nfs/dbraw/zinc/09/59/77/487095977.db2.gz LMNZQIVQZBPSEV-QMTHXVAHSA-N -2 3 329.422 1.845 20 0 EDADHL O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1n[nH]c(=O)[n-]c1=O ZINC000682364995 487354110 /nfs/dbraw/zinc/35/41/10/487354110.db2.gz HIFKWPDSICDZDO-UHFFFAOYSA-N -2 3 332.194 1.139 20 0 EDADHL CS(=O)(=O)[N-]c1cc(C(=O)N(CC(=O)[O-])CC2CC2)ccc1F ZINC000675974619 487463025 /nfs/dbraw/zinc/46/30/25/487463025.db2.gz WFSJOSHPOQDQSY-UHFFFAOYSA-N -2 3 344.364 1.134 20 0 EDADHL Cc1cccc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c1F ZINC000541930461 490997533 /nfs/dbraw/zinc/99/75/33/490997533.db2.gz AVKQNTDXCKXPIK-UHFFFAOYSA-N -2 3 338.360 1.748 20 0 EDADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(Cl)c1[O-] ZINC000179725522 526711114 /nfs/dbraw/zinc/71/11/14/526711114.db2.gz KWSOZDSEJZKFLH-LLVKDONJSA-N -2 3 334.825 1.948 20 0 EDADHL CC(C)c1nc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cs1 ZINC000263743741 535378328 /nfs/dbraw/zinc/37/83/28/535378328.db2.gz ASDZLGIDKZATGZ-UHFFFAOYSA-N -2 3 347.447 1.742 20 0 EDADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000740495986 579353397 /nfs/dbraw/zinc/35/33/97/579353397.db2.gz GWXHWZSRYPJUAG-UHFFFAOYSA-N -2 3 334.344 1.633 20 0 EDADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000740510537 578548830 /nfs/dbraw/zinc/54/88/30/578548830.db2.gz AMHRSKUQMGHPLX-VIFPVBQESA-N -2 3 334.344 1.633 20 0 EDADHL CN(CCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000737431348 579090022 /nfs/dbraw/zinc/09/00/22/579090022.db2.gz SLFVNSLGUJYSGG-UHFFFAOYSA-N -2 3 329.378 1.387 20 0 EDADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)NC(=O)[O-])cc2)n1 ZINC000738314786 579185049 /nfs/dbraw/zinc/18/50/49/579185049.db2.gz QNTLBMDEGXRBCH-UHFFFAOYSA-N -2 3 330.344 1.730 20 0 EDADHL Cc1c(C(=O)Nc2ccccc2[O-])nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040452 579283205 /nfs/dbraw/zinc/28/32/05/579283205.db2.gz AIGUIOXUPUFZBK-UHFFFAOYSA-N -2 3 345.359 1.859 20 0 EDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCCN(C(=O)[O-])C2)c1 ZINC000740130356 579292548 /nfs/dbraw/zinc/29/25/48/579292548.db2.gz TUCSOKFTDZAAJL-LLVKDONJSA-N -2 3 330.381 1.945 20 0 EDADHL Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCN(C(=O)[O-])C2)c(F)c1 ZINC000740148204 579294052 /nfs/dbraw/zinc/29/40/52/579294052.db2.gz SSMDRKMUBFHDLC-LLVKDONJSA-N -2 3 330.381 1.802 20 0 EDADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COC(=O)c1cncc([O-])c1 ZINC000745001978 579533673 /nfs/dbraw/zinc/53/36/73/579533673.db2.gz JCRKKCNRLHWMCP-SNVBAGLBSA-N -2 3 330.344 1.172 20 0 EDADHL CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)O1 ZINC000777948561 580453346 /nfs/dbraw/zinc/45/33/46/580453346.db2.gz AAQNUBWPSCNRBG-JTQLQIEISA-N -2 3 331.365 1.760 20 0 EDADHL CCCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(OC)c1)C(=O)[O-] ZINC000776440232 580417371 /nfs/dbraw/zinc/41/73/71/580417371.db2.gz MGCWROXBNDYHBX-VIFPVBQESA-N -2 3 336.797 1.665 20 0 EDADHL COc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)cnc1Cl ZINC000776577312 580421835 /nfs/dbraw/zinc/42/18/35/580421835.db2.gz LURWZNIUZJKHEG-VIFPVBQESA-N -2 3 334.781 1.275 20 0 EDADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c1 ZINC000776589494 580422818 /nfs/dbraw/zinc/42/28/18/580422818.db2.gz MSYWPWKAYNNRDF-MRVPVSSYSA-N -2 3 333.793 1.932 20 0 EDADHL COc1cc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)cnc1Cl ZINC000776614855 580424250 /nfs/dbraw/zinc/42/42/50/580424250.db2.gz RVYWLKQJGQVCNK-SFYZADRCSA-N -2 3 332.765 1.051 20 0 EDADHL O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1c(F)ccc([O-])c1F ZINC000890532566 590646222 /nfs/dbraw/zinc/64/62/22/590646222.db2.gz DVZPWVVBXIEBEY-MRVPVSSYSA-N -2 3 336.298 1.175 20 0 EDADHL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C1CC(C(=O)[O-])C1 ZINC000899571479 591852397 /nfs/dbraw/zinc/85/23/97/591852397.db2.gz YNCQNBCNSHQNNY-UHFFFAOYSA-N -2 3 331.365 1.754 20 0 EDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cscc1C(F)F)[C@@H]1CCCO1 ZINC000899929925 591985179 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CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000825348428 594170937 /nfs/dbraw/zinc/17/09/37/594170937.db2.gz KFDCXIUJEWCMDX-UHFFFAOYSA-N -2 3 347.404 1.354 20 0 EDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CC12CCC2 ZINC000823285661 594180227 /nfs/dbraw/zinc/18/02/27/594180227.db2.gz YOKFIKQHPQUZJU-GFCCVEGCSA-N -2 3 347.400 1.003 20 0 EDADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CC12CCC2 ZINC000823285661 594180228 /nfs/dbraw/zinc/18/02/28/594180228.db2.gz YOKFIKQHPQUZJU-GFCCVEGCSA-N -2 3 347.400 1.003 20 0 EDADHL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823387129 594195579 /nfs/dbraw/zinc/19/55/79/594195579.db2.gz DCULGECBGGDMNG-HNNXBMFYSA-N -2 3 349.350 1.691 20 0 EDADHL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823387129 594195580 /nfs/dbraw/zinc/19/55/80/594195580.db2.gz DCULGECBGGDMNG-HNNXBMFYSA-N -2 3 349.350 1.691 20 0 EDADHL C/C(=C/COC(=O)c1ccc(Cl)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000825774726 594243499 /nfs/dbraw/zinc/24/34/99/594243499.db2.gz GZQQTSNPQJQKGS-YVMONPNESA-N -2 3 347.776 1.899 20 0 EDADHL CN(C)[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1 ZINC000825848298 594261682 /nfs/dbraw/zinc/26/16/82/594261682.db2.gz BVVRQRSWGBHPQP-OAHLLOKOSA-N -2 3 338.371 1.814 20 0 EDADHL CN(Cc1c([O-])nnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825953960 594290341 /nfs/dbraw/zinc/29/03/41/594290341.db2.gz TVBNAZSGYWTUTH-UHFFFAOYSA-N -2 3 348.370 1.789 20 0 EDADHL CN(Cc1c([O-])nnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825953960 594290342 /nfs/dbraw/zinc/29/03/42/594290342.db2.gz TVBNAZSGYWTUTH-UHFFFAOYSA-N -2 3 348.370 1.789 20 0 EDADHL C[C@H](C(=O)[O-])N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000826061373 594322178 /nfs/dbraw/zinc/32/21/78/594322178.db2.gz NWOUQSMXVGLMIH-ZWNOBZJWSA-N -2 3 326.780 1.556 20 0 EDADHL Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)on1 ZINC000830096826 594336208 /nfs/dbraw/zinc/33/62/08/594336208.db2.gz LEPVPACDDOKCJD-IVZWLZJFSA-N -2 3 325.321 1.290 20 0 EDADHL Cc1cc([N-]C(=O)[C@@H](C)OC(=O)[C@H]2CCCCN2C(=O)[O-])on1 ZINC000830096476 594336323 /nfs/dbraw/zinc/33/63/23/594336323.db2.gz JWDXGDVXBPOJSV-NXEZZACHSA-N -2 3 325.321 1.386 20 0 EDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CC2)c(F)cc1F ZINC000830132614 594341718 /nfs/dbraw/zinc/34/17/18/594341718.db2.gz JGADIJLALUFFTJ-NSHDSACASA-N -2 3 334.344 1.598 20 0 EDADHL COCc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826165086 594357616 /nfs/dbraw/zinc/35/76/16/594357616.db2.gz FBGWVDXGDPFQAK-UHFFFAOYSA-N -2 3 345.384 1.814 20 0 EDADHL COCc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nnn[n-]1 ZINC000826165086 594357618 /nfs/dbraw/zinc/35/76/18/594357618.db2.gz FBGWVDXGDPFQAK-UHFFFAOYSA-N -2 3 345.384 1.814 20 0 EDADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1C ZINC000826211721 594380967 /nfs/dbraw/zinc/38/09/67/594380967.db2.gz RHBVYTNAGJHXHD-UHFFFAOYSA-N -2 3 345.384 1.985 20 0 EDADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnn[n-]2)cc1C ZINC000826211721 594380969 /nfs/dbraw/zinc/38/09/69/594380969.db2.gz RHBVYTNAGJHXHD-UHFFFAOYSA-N -2 3 345.384 1.985 20 0 EDADHL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826265463 594403655 /nfs/dbraw/zinc/40/36/55/594403655.db2.gz ACPZQRISZYPVAX-UHFFFAOYSA-N -2 3 344.400 1.988 20 0 EDADHL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826265463 594403657 /nfs/dbraw/zinc/40/36/57/594403657.db2.gz ACPZQRISZYPVAX-UHFFFAOYSA-N -2 3 344.400 1.988 20 0 EDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H]1C ZINC000826278989 594409154 /nfs/dbraw/zinc/40/91/54/594409154.db2.gz BGOZSFLNVTUREO-CABZTGNLSA-N -2 3 349.416 1.416 20 0 EDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H]1C ZINC000826278989 594409155 /nfs/dbraw/zinc/40/91/55/594409155.db2.gz BGOZSFLNVTUREO-CABZTGNLSA-N -2 3 349.416 1.416 20 0 EDADHL O=C(Cc1noc2ccccc12)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826423881 594470460 /nfs/dbraw/zinc/47/04/60/594470460.db2.gz LDDXFYBPJMZRIL-UHFFFAOYSA-N -2 3 336.311 1.895 20 0 EDADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC000826492997 594500109 /nfs/dbraw/zinc/50/01/09/594500109.db2.gz OASNVSVEQMOPTE-UHFFFAOYSA-N -2 3 337.311 1.946 20 0 EDADHL O=S(=O)([N-]c1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC000826492997 594500111 /nfs/dbraw/zinc/50/01/11/594500111.db2.gz OASNVSVEQMOPTE-UHFFFAOYSA-N -2 3 337.311 1.946 20 0 EDADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc(F)cc(Cl)c1 ZINC000826492275 594500132 /nfs/dbraw/zinc/50/01/32/594500132.db2.gz APBGNDIPROUTOG-UHFFFAOYSA-N -2 3 343.731 1.183 20 0 EDADHL O=C([N-]CC1CN(C(=O)c2c([O-])cccc2Cl)C1)C(F)(F)F ZINC000831135063 594565826 /nfs/dbraw/zinc/56/58/26/594565826.db2.gz UBYZODBBCYQEMW-UHFFFAOYSA-N -2 3 336.697 1.796 20 0 EDADHL O=C([O-])N1CCC[C@@H]1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000831334858 594609871 /nfs/dbraw/zinc/60/98/71/594609871.db2.gz ONOSTDDQZWCLNQ-GFCCVEGCSA-N -2 3 330.348 1.015 20 0 EDADHL O=C([O-])N1CCC[C@@H]1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000831334858 594609873 /nfs/dbraw/zinc/60/98/73/594609873.db2.gz ONOSTDDQZWCLNQ-GFCCVEGCSA-N -2 3 330.348 1.015 20 0 EDADHL COc1ccccc1-c1nc(NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n[n-]1 ZINC000829585785 594645582 /nfs/dbraw/zinc/64/55/82/594645582.db2.gz JMDFFPMXORNDKX-NXEZZACHSA-N -2 3 345.359 1.855 20 0 EDADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000831585990 594685589 /nfs/dbraw/zinc/68/55/89/594685589.db2.gz QSTPMGZIDVUAKX-ZDUSSCGKSA-N -2 3 337.344 1.431 20 0 EDADHL COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(C)C ZINC000831655368 594690420 /nfs/dbraw/zinc/69/04/20/594690420.db2.gz LUULRCXOIGPKJN-LLVKDONJSA-N -2 3 337.344 1.612 20 0 EDADHL CO[N-]C(=O)C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000832749375 594773871 /nfs/dbraw/zinc/77/38/71/594773871.db2.gz USJCOGBDVOQTCX-UHFFFAOYSA-N -2 3 337.120 1.335 20 0 EDADHL Cc1oc(S(=O)(=O)[N-]c2cc(C)cn(C)c2=O)cc1C(=O)[O-] ZINC000832898778 594783801 /nfs/dbraw/zinc/78/38/01/594783801.db2.gz TUGFZAMCBUXFHO-UHFFFAOYSA-N -2 3 326.330 1.094 20 0 EDADHL Cc1nc(C)c(CC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(=O)[n-]1 ZINC000832994586 594789875 /nfs/dbraw/zinc/78/98/75/594789875.db2.gz LNSYHHSSMFTMFD-AWEZNQCLSA-N -2 3 334.303 1.850 20 0 EDADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000833020570 594791891 /nfs/dbraw/zinc/79/18/91/594791891.db2.gz IJUIMIMKSCRLEN-RDOCRHDPSA-N -2 3 337.357 1.515 20 0 EDADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000833021976 594792002 /nfs/dbraw/zinc/79/20/02/594792002.db2.gz WHJNABNVVOCWRE-ZCFIWIBFSA-N -2 3 345.764 1.769 20 0 EDADHL O=C([O-])Cn1cc(CCOC(=O)c2cc(-c3cccs3)[n-]n2)nn1 ZINC000833269292 594816818 /nfs/dbraw/zinc/81/68/18/594816818.db2.gz FXKNMCDRCSECHC-UHFFFAOYSA-N -2 3 347.356 1.214 20 0 EDADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cn1 ZINC000833274621 594818707 /nfs/dbraw/zinc/81/87/07/594818707.db2.gz IPFBSKBXSJWVRX-WAYWQWQTSA-N -2 3 325.321 1.519 20 0 EDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CCCO2)cc(F)c1F ZINC000833304872 594823606 /nfs/dbraw/zinc/82/36/06/594823606.db2.gz NMNMGUJCMIKXQO-MRVPVSSYSA-N -2 3 335.328 1.510 20 0 EDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC2=CCOCC2)c1F ZINC000840893590 594824179 /nfs/dbraw/zinc/82/41/79/594824179.db2.gz OFCXAZNCYFBKPN-UHFFFAOYSA-N -2 3 329.349 1.457 20 0 EDADHL C[C@H]1C[C@@H](CNC(=O)[O-])CN1Cc1c([O-])nnn1-c1ccccc1 ZINC000833834348 594944588 /nfs/dbraw/zinc/94/45/88/594944588.db2.gz NPJVIASNYNPJKY-RYUDHWBXSA-N -2 3 331.376 1.451 20 0 EDADHL CN(C(=O)/C=C/c1cncc([O-])c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833869560 594953094 /nfs/dbraw/zinc/95/30/94/594953094.db2.gz PHJRARRHTKTSOI-COHFCLHTSA-N -2 3 331.372 1.932 20 0 EDADHL O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000834136185 595024681 /nfs/dbraw/zinc/02/46/81/595024681.db2.gz AFOGWANNIRAUAL-VIFPVBQESA-N -2 3 325.275 1.497 20 0 EDADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000837291387 595076801 /nfs/dbraw/zinc/07/68/01/595076801.db2.gz GZJIPWWLHAOTLT-SFYZADRCSA-N -2 3 333.793 1.930 20 0 EDADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2)C(=O)[O-])CCC1 ZINC000844826375 595400494 /nfs/dbraw/zinc/40/04/94/595400494.db2.gz QZYWZUAUORBLAE-SNVBAGLBSA-N -2 3 348.808 1.426 20 0 EDADHL CCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000844891087 595408214 /nfs/dbraw/zinc/40/82/14/595408214.db2.gz MVHLNGOJFYXDOA-UHFFFAOYSA-N -2 3 328.209 1.897 20 0 EDADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)cc1C(=O)[O-] ZINC000844894146 595409084 /nfs/dbraw/zinc/40/90/84/595409084.db2.gz PIBKUZBZQKFCPY-CQSZACIVSA-N -2 3 331.365 1.680 20 0 EDADHL CCc1nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)cn1CC1CC1 ZINC000853065937 595652786 /nfs/dbraw/zinc/65/27/86/595652786.db2.gz HERPWCGCTVMVFF-GFCCVEGCSA-N -2 3 341.433 1.387 20 0 EDADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)C1CCC(C2CC2)CC1 ZINC000851017812 595703738 /nfs/dbraw/zinc/70/37/38/595703738.db2.gz XCSHMSWDUCZCTC-UHFFFAOYSA-N -2 3 348.428 1.979 20 0 EDADHL COCCCCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852735475 596235761 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EDADHL CC(C)CN(CC(=O)[O-])CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000583758326 326134869 /nfs/dbraw/zinc/13/48/69/326134869.db2.gz DVQTUHRTYCSDDX-UHFFFAOYSA-N -2 3 325.390 1.051 20 0 EDADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccs1 ZINC000361997731 446139550 /nfs/dbraw/zinc/13/95/50/446139550.db2.gz ZPINQCQUHXSQCF-UHFFFAOYSA-N -2 3 344.370 1.450 20 0 EDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000414391362 447293246 /nfs/dbraw/zinc/29/32/46/447293246.db2.gz KVWHTDOUSAUSPY-DCAQKATOSA-N -2 3 345.392 1.924 20 0 EDADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC000571501465 448162929 /nfs/dbraw/zinc/16/29/29/448162929.db2.gz ITVLNGBYNCNGFS-NSHDSACASA-N -2 3 341.410 1.903 20 0 EDADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c1 ZINC000556416652 448116396 /nfs/dbraw/zinc/11/63/96/448116396.db2.gz PRKDVYALXJGFFN-PWSUYJOCSA-N -2 3 347.437 1.399 20 0 EDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000571877492 448224053 /nfs/dbraw/zinc/22/40/53/448224053.db2.gz CJVBHFRSYTWMJK-SNVBAGLBSA-N -2 3 329.349 1.920 20 0 EDADHL C[C@]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)(C(=O)[O-])C1CC1 ZINC000566179311 448405908 /nfs/dbraw/zinc/40/59/08/448405908.db2.gz UDTKPFZHBCPREY-LLVKDONJSA-N -2 3 338.307 1.632 20 0 EDADHL CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)c2cncc([O-])c2)n[n-]1 ZINC000584357857 448497781 /nfs/dbraw/zinc/49/77/81/448497781.db2.gz OUBHSATWFTZXKJ-GFCCVEGCSA-N -2 3 347.375 1.599 20 0 EDADHL CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)c2cncc([O-])c2)[n-]1 ZINC000584357857 448497786 /nfs/dbraw/zinc/49/77/86/448497786.db2.gz OUBHSATWFTZXKJ-GFCCVEGCSA-N -2 3 347.375 1.599 20 0 EDADHL CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)c2cncc([O-])c2)n1 ZINC000584357857 448497790 /nfs/dbraw/zinc/49/77/90/448497790.db2.gz OUBHSATWFTZXKJ-GFCCVEGCSA-N -2 3 347.375 1.599 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C)C1 ZINC000579587311 448828558 /nfs/dbraw/zinc/82/85/58/448828558.db2.gz CHDCMJPCKZKQPD-JGVFFNPUSA-N -2 3 335.403 1.301 20 0 EDADHL CCC1(CC)[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@H]1OC ZINC000579705537 448857669 /nfs/dbraw/zinc/85/76/69/448857669.db2.gz MLFFDZSEFNVPKU-QWRGUYRKSA-N -2 3 331.390 1.850 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1C[C@H](C)O[C@@H](C)C1 ZINC000574515777 448891363 /nfs/dbraw/zinc/89/13/63/448891363.db2.gz SZQHKLCLCGTAAP-YUMQZZPRSA-N -2 3 349.430 1.689 20 0 EDADHL CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1(C)C ZINC000574753501 448947481 /nfs/dbraw/zinc/94/74/81/448947481.db2.gz VAJHMCYZYBESGJ-JVXZTZIISA-N -2 3 334.419 1.323 20 0 EDADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c[nH]1 ZINC000547936331 448951331 /nfs/dbraw/zinc/95/13/31/448951331.db2.gz JLDNFRXGJOKLDN-NSHDSACASA-N -2 3 331.300 1.101 20 0 EDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)oc1C ZINC000547894502 448945850 /nfs/dbraw/zinc/94/58/50/448945850.db2.gz YYBWXKWXYAZPJZ-UHFFFAOYSA-N -2 3 345.373 1.298 20 0 EDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000569443858 449026460 /nfs/dbraw/zinc/02/64/60/449026460.db2.gz WIUUAFYWBNLBRQ-RQJHMYQMSA-N -2 3 326.296 1.488 20 0 EDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccncc2)s1 ZINC000582191654 449034063 /nfs/dbraw/zinc/03/40/63/449034063.db2.gz FWTVLBFVJMXNAZ-JTQLQIEISA-N -2 3 327.387 1.341 20 0 EDADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000569598916 449054157 /nfs/dbraw/zinc/05/41/57/449054157.db2.gz FXGKFUMSCPQOID-GMSGAONNSA-N -2 3 340.323 1.878 20 0 EDADHL CCOCCS(=O)(=O)[N-]c1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000548530799 449056026 /nfs/dbraw/zinc/05/60/26/449056026.db2.gz NHUWXIMALFYMOR-UHFFFAOYSA-N -2 3 339.373 1.349 20 0 EDADHL COC(=O)c1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c[n-]1 ZINC000590209383 449116678 /nfs/dbraw/zinc/11/66/78/449116678.db2.gz NCLNZRFHUDOKTK-UHFFFAOYSA-N -2 3 328.284 1.397 20 0 EDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000614924330 449880787 /nfs/dbraw/zinc/88/07/87/449880787.db2.gz VCZGTAZBIDAQPV-UHFFFAOYSA-N -2 3 345.334 1.103 20 0 EDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c[n-]1 ZINC000618906507 450334118 /nfs/dbraw/zinc/33/41/18/450334118.db2.gz LPQPIHPETBJFDD-UHFFFAOYSA-N -2 3 337.357 1.590 20 0 EDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)[n-]1 ZINC000618906507 450334124 /nfs/dbraw/zinc/33/41/24/450334124.db2.gz LPQPIHPETBJFDD-UHFFFAOYSA-N -2 3 337.357 1.590 20 0 EDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCOC1)C(=O)[O-] ZINC000629337847 450616805 /nfs/dbraw/zinc/61/68/05/450616805.db2.gz FXYXVMHKCNOIEU-VHSXEESVSA-N -2 3 349.430 1.305 20 0 EDADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630423491 451182514 /nfs/dbraw/zinc/18/25/14/451182514.db2.gz DMKQLASWAAXBNZ-WTDIUWLJSA-N -2 3 325.386 1.794 20 0 EDADHL COc1cc(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[n-]n1C ZINC000649543030 452136913 /nfs/dbraw/zinc/13/69/13/452136913.db2.gz YIIWPXLGOKGLOI-INIZCTEOSA-N -2 3 332.360 1.015 20 0 EDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000666163360 452653523 /nfs/dbraw/zinc/65/35/23/452653523.db2.gz JKQRKSBWDMRXLM-SSDOTTSWSA-N -2 3 346.336 1.182 20 0 EDADHL O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000647928241 452667686 /nfs/dbraw/zinc/66/76/86/452667686.db2.gz HWCVPJPATXIVEM-CYBMUJFWSA-N -2 3 342.323 1.334 20 0 EDADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2 ZINC000650388223 452730381 /nfs/dbraw/zinc/73/03/81/452730381.db2.gz XXPHESNKNJHXDD-SDBXPKJASA-N -2 3 343.357 1.075 20 0 EDADHL C[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@@H](C)C(=O)[O-] ZINC000654786031 452921401 /nfs/dbraw/zinc/92/14/01/452921401.db2.gz AHRRBINIOQCOCA-PHDIDXHHSA-N -2 3 348.764 1.162 20 0 EDADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000645960547 452940870 /nfs/dbraw/zinc/94/08/70/452940870.db2.gz DMQHLCBFBLRNOR-MRVPVSSYSA-N -2 3 325.346 1.257 20 0 EDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)o1 ZINC000656182206 452942991 /nfs/dbraw/zinc/94/29/91/452942991.db2.gz URCHBPAZOAUYFB-SNVBAGLBSA-N -2 3 329.374 1.748 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)O1 ZINC000656724768 453409395 /nfs/dbraw/zinc/40/93/95/453409395.db2.gz TUVIHUUJWWSWKR-IUCAKERBSA-N -2 3 349.430 1.691 20 0 EDADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(OC)C(=O)[O-])c2)n1 ZINC000663033603 453654179 /nfs/dbraw/zinc/65/41/79/453654179.db2.gz YSQZLJDIQBGBNY-QGZVFWFLSA-N -2 3 345.355 1.840 20 0 EDADHL COCc1nc(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)n[n-]1 ZINC000657104972 453682521 /nfs/dbraw/zinc/68/25/21/453682521.db2.gz WEYCKHIKMNNLDU-UHFFFAOYSA-N -2 3 332.332 1.016 20 0 EDADHL CCc1nc(S(=O)(=O)[N-]C[C@@H](CC)C(=O)[O-])cn1CC1CC1 ZINC000663286322 453755055 /nfs/dbraw/zinc/75/50/55/453755055.db2.gz QRRJHJNSJVDGGY-LLVKDONJSA-N -2 3 329.422 1.245 20 0 EDADHL Cc1cc(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)oc1C(=O)[O-] ZINC000663422665 453793802 /nfs/dbraw/zinc/79/38/02/453793802.db2.gz GZVWOZJXAASDMI-NSHDSACASA-N -2 3 347.389 1.008 20 0 EDADHL CCc1nc(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])cn1CC1CC1 ZINC000663426601 453795437 /nfs/dbraw/zinc/79/54/37/453795437.db2.gz LDHCAZOBXZIJQG-UHFFFAOYSA-N -2 3 343.449 1.777 20 0 EDADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000663430387 453796326 /nfs/dbraw/zinc/79/63/26/453796326.db2.gz YQRRJPVYKJHDDL-GFCCVEGCSA-N -2 3 331.390 1.851 20 0 EDADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000740498017 579353712 /nfs/dbraw/zinc/35/37/12/579353712.db2.gz QOXWHDWOVJXQTJ-SECBINFHSA-N -2 3 333.797 1.403 20 0 EDADHL O=C([O-])NC[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000740622649 579370131 /nfs/dbraw/zinc/37/01/31/579370131.db2.gz JEOBVBMYAXYSSZ-JTQLQIEISA-N -2 3 330.344 1.598 20 0 EDADHL O=C([O-])NCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000740658425 579375312 /nfs/dbraw/zinc/37/53/12/579375312.db2.gz INXFAKREGYKRQA-UHFFFAOYSA-N -2 3 330.340 1.969 20 0 EDADHL O=C([O-])N[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000740691385 579378530 /nfs/dbraw/zinc/37/85/30/579378530.db2.gz VFQHHHKBUOFNJT-LBPRGKRZSA-N -2 3 338.327 1.814 20 0 EDADHL O=C([O-])N[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000740691385 579378532 /nfs/dbraw/zinc/37/85/32/579378532.db2.gz VFQHHHKBUOFNJT-LBPRGKRZSA-N -2 3 338.327 1.814 20 0 EDADHL O=C([O-])N[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000740691385 579378534 /nfs/dbraw/zinc/37/85/34/579378534.db2.gz VFQHHHKBUOFNJT-LBPRGKRZSA-N -2 3 338.327 1.814 20 0 EDADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C1CC1 ZINC000735450193 578885518 /nfs/dbraw/zinc/88/55/18/578885518.db2.gz WZFUXBCLTICUAM-YFHOEESVSA-N -2 3 347.400 1.336 20 0 EDADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC000735450193 578885519 /nfs/dbraw/zinc/88/55/19/578885519.db2.gz WZFUXBCLTICUAM-YFHOEESVSA-N -2 3 347.400 1.336 20 0 EDADHL C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736775824 579019359 /nfs/dbraw/zinc/01/93/59/579019359.db2.gz SFYWYQPAVOXGGT-GHMZBOCLSA-N -2 3 330.406 1.519 20 0 EDADHL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736779169 579019518 /nfs/dbraw/zinc/01/95/18/579019518.db2.gz LEBWHAYIUVFLLB-UHFFFAOYSA-N -2 3 345.388 1.129 20 0 EDADHL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736779169 579019519 /nfs/dbraw/zinc/01/95/19/579019519.db2.gz LEBWHAYIUVFLLB-UHFFFAOYSA-N -2 3 345.388 1.129 20 0 EDADHL CN(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000737337294 579074904 /nfs/dbraw/zinc/07/49/04/579074904.db2.gz XHJNGNCHNJFZID-UHFFFAOYSA-N -2 3 339.307 1.937 20 0 EDADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737628904 579122743 /nfs/dbraw/zinc/12/27/43/579122743.db2.gz SLZXHWKVWDTGDF-UHFFFAOYSA-N -2 3 339.768 1.054 20 0 EDADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737628904 579122744 /nfs/dbraw/zinc/12/27/44/579122744.db2.gz SLZXHWKVWDTGDF-UHFFFAOYSA-N -2 3 339.768 1.054 20 0 EDADHL CCN(CC(=O)Nc1n[n-]c(-c2ccc(OC)cc2OC)n1)C(=O)[O-] ZINC000739404180 579201206 /nfs/dbraw/zinc/20/12/06/579201206.db2.gz VHUIQRHRDUKFCT-UHFFFAOYSA-N -2 3 349.347 1.427 20 0 EDADHL O=C([O-])CN(CC(=O)NC1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783600 579250465 /nfs/dbraw/zinc/25/04/65/579250465.db2.gz BCHNLHNWAOQULW-UHFFFAOYSA-N -2 3 340.807 1.991 20 0 EDADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000739927124 579268905 /nfs/dbraw/zinc/26/89/05/579268905.db2.gz NJFOCZCUSVQASQ-SECBINFHSA-N -2 3 336.772 1.900 20 0 EDADHL CSc1nnc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)[n-]1 ZINC000740025897 579281925 /nfs/dbraw/zinc/28/19/25/579281925.db2.gz XVMDDFVSRIKOLJ-SNVBAGLBSA-N -2 3 346.372 1.185 20 0 EDADHL CSc1n[n-]c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n1 ZINC000740025897 579281927 /nfs/dbraw/zinc/28/19/27/579281927.db2.gz XVMDDFVSRIKOLJ-SNVBAGLBSA-N -2 3 346.372 1.185 20 0 EDADHL CSc1nc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)n[n-]1 ZINC000740025897 579281929 /nfs/dbraw/zinc/28/19/29/579281929.db2.gz XVMDDFVSRIKOLJ-SNVBAGLBSA-N -2 3 346.372 1.185 20 0 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O=C(c1cc([O-])ccc1Cl)N1CCSC[C@H]1c1nnn[n-]1 ZINC000907476382 592656891 /nfs/dbraw/zinc/65/68/91/592656891.db2.gz COJKGAGEEFVRFH-JTQLQIEISA-N -2 3 325.781 1.489 20 0 EDADHL O=C(c1cc([O-])ccc1Cl)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907476382 592656892 /nfs/dbraw/zinc/65/68/92/592656892.db2.gz COJKGAGEEFVRFH-JTQLQIEISA-N -2 3 325.781 1.489 20 0 EDADHL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000905999984 592711602 /nfs/dbraw/zinc/71/16/02/592711602.db2.gz QHOPAZQWVKZVLI-UHFFFAOYSA-N -2 3 349.233 1.425 20 0 EDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](COCC(C)C)C(=O)[O-])c1 ZINC000906004449 592714396 /nfs/dbraw/zinc/71/43/96/592714396.db2.gz PWSVELVWWNZWRA-LBPRGKRZSA-N -2 3 333.381 1.538 20 0 EDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])c(Br)c1 ZINC000906005782 592715515 /nfs/dbraw/zinc/71/55/15/592715515.db2.gz VEORPWYFRZJLLS-QMMMGPOBSA-N -2 3 340.170 1.459 20 0 EDADHL CCOC(=O)c1sc([N-]C(=O)c2cocn2)c(-c2nn[n-]n2)c1C ZINC000736606095 593020889 /nfs/dbraw/zinc/02/08/89/593020889.db2.gz WNXVPFDYAZOSRL-UHFFFAOYSA-N -2 3 348.344 1.654 20 0 EDADHL COc1cc[n-]c(=N[N-]S(=O)(=O)c2ccc(Cl)nc2C)n1 ZINC000808075624 593219908 /nfs/dbraw/zinc/21/99/08/593219908.db2.gz UYWGUCQOBLTVDX-UHFFFAOYSA-N -2 3 329.769 1.147 20 0 EDADHL Cc1ccsc1S(=O)(=O)[N-]C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000802868791 593284977 /nfs/dbraw/zinc/28/49/77/593284977.db2.gz FAVLWQOMDXYXGC-UHFFFAOYSA-N -2 3 341.414 1.217 20 0 EDADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CC1 ZINC000820274894 593805407 /nfs/dbraw/zinc/80/54/07/593805407.db2.gz LQZOCORIHVQDJE-ZETCQYMHSA-N -2 3 343.359 1.469 20 0 EDADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000820274894 593805408 /nfs/dbraw/zinc/80/54/08/593805408.db2.gz LQZOCORIHVQDJE-ZETCQYMHSA-N -2 3 343.359 1.469 20 0 EDADHL C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820397857 593816193 /nfs/dbraw/zinc/81/61/93/593816193.db2.gz VMOHLNJQMUGIKG-VIFPVBQESA-N -2 3 338.327 1.451 20 0 EDADHL C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397857 593816194 /nfs/dbraw/zinc/81/61/94/593816194.db2.gz VMOHLNJQMUGIKG-VIFPVBQESA-N -2 3 338.327 1.451 20 0 EDADHL COCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000821695457 593918162 /nfs/dbraw/zinc/91/81/62/593918162.db2.gz ZZNDTZFZPLSFRJ-UHFFFAOYSA-N -2 3 325.328 1.971 20 0 EDADHL CCCNC(=O)CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000821114288 593968975 /nfs/dbraw/zinc/96/89/75/593968975.db2.gz NHJKWPTVQXHQKD-UHFFFAOYSA-N -2 3 332.364 1.207 20 0 EDADHL CC(C)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000824352552 593991594 /nfs/dbraw/zinc/99/15/94/593991594.db2.gz IFLSYHOHQPVFGZ-UHFFFAOYSA-N -2 3 333.377 1.514 20 0 EDADHL CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000821247143 593996683 /nfs/dbraw/zinc/99/66/83/593996683.db2.gz GNLXXEUHSIUIIL-CMPLNLGQSA-N -2 3 333.381 1.354 20 0 EDADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000822220336 594013164 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C[C@H](NC(=O)C=Cc1cncc([O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824479858 594021050 /nfs/dbraw/zinc/02/10/50/594021050.db2.gz QFLCEQBZXGWESB-QRGHLMKCSA-N -2 3 336.355 1.858 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)[O-])C2)c[nH]1 ZINC000824486781 594023056 /nfs/dbraw/zinc/02/30/56/594023056.db2.gz DGLZNULTXUJQLE-JTQLQIEISA-N -2 3 330.410 1.201 20 0 EDADHL Cc1conc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822408298 594044860 /nfs/dbraw/zinc/04/48/60/594044860.db2.gz ABUXNEFAMMZMBK-UHFFFAOYSA-N -2 3 340.752 1.617 20 0 EDADHL Cc1conc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822408298 594044861 /nfs/dbraw/zinc/04/48/61/594044861.db2.gz ABUXNEFAMMZMBK-UHFFFAOYSA-N -2 3 340.752 1.617 20 0 EDADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000824727592 594062818 /nfs/dbraw/zinc/06/28/18/594062818.db2.gz BSPOFOHWVTXJDP-VHSXEESVSA-N -2 3 345.359 1.098 20 0 EDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000824727592 594062820 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C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000825847019 594261116 /nfs/dbraw/zinc/26/11/16/594261116.db2.gz ZBAHSZPJJNIQAD-NXEZZACHSA-N -2 3 330.344 1.596 20 0 EDADHL CCCCCC[C@](C)([N-]S(=O)(=O)c1cn(CC)cn1)C(=O)[O-] ZINC000829983591 594306747 /nfs/dbraw/zinc/30/67/47/594306747.db2.gz ZNQMHCQVXPWWJX-AWEZNQCLSA-N -2 3 331.438 1.995 20 0 EDADHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000826108315 594333560 /nfs/dbraw/zinc/33/35/60/594333560.db2.gz FTYGJRDDNOIOOY-PRHODGIISA-N -2 3 326.324 1.651 20 0 EDADHL Cc1nc(C)c(CC(=O)O[C@@H]2CCCC[C@@H]2CNC(=O)[O-])c(=O)[n-]1 ZINC000830715701 594463507 /nfs/dbraw/zinc/46/35/07/594463507.db2.gz IQTKUZMEHLVFIV-DGCLKSJQSA-N -2 3 337.376 1.711 20 0 EDADHL CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc([O-])c(OC)c1)C(=O)[O-] ZINC000828728614 594489109 /nfs/dbraw/zinc/48/91/09/594489109.db2.gz LJIVXKUBWXMQBV-XPTSAGLGSA-N -2 3 339.344 1.173 20 0 EDADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000826493140 594499804 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CC(C)C[C@@H](OC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000826811754 594580369 /nfs/dbraw/zinc/58/03/69/594580369.db2.gz FIVKYSNSOUFDPE-NXEZZACHSA-N -2 3 349.430 1.457 20 0 EDADHL CCCn1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1=O ZINC000829585017 594645565 /nfs/dbraw/zinc/64/55/65/594645565.db2.gz AJILNHUTFWOFEQ-UHFFFAOYSA-N -2 3 343.386 1.214 20 0 EDADHL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000832341816 594743739 /nfs/dbraw/zinc/74/37/39/594743739.db2.gz UPFJKVAQQGNZQW-UONOGXRCSA-N -2 3 349.387 1.065 20 0 EDADHL COc1ccc2c(c1)[n-]cc(C(=O)N1CC[C@](F)(C(=O)[O-])C1)c2=O ZINC000832487354 594753892 /nfs/dbraw/zinc/75/38/92/594753892.db2.gz ZJZIXOMRCQHKSZ-MRXNPFEDSA-N -2 3 334.303 1.176 20 0 EDADHL COc1coc(COC(=O)c2ccc(NC(=O)[O-])c([O-])c2)cc1=O ZINC000832643216 594766230 /nfs/dbraw/zinc/76/62/30/594766230.db2.gz VFFJNVSWENNUAN-UHFFFAOYSA-N -2 3 335.268 1.801 20 0 EDADHL CS(=O)(=O)CCCCOC(=O)c1ccc(NC(=O)[O-])c([O-])c1 ZINC000832670288 594768054 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COc1ccccc1-c1nc(NC(=O)[C@@H](C)CN(C)C(=O)[O-])n[n-]1 ZINC000829586164 594645457 /nfs/dbraw/zinc/64/54/57/594645457.db2.gz UDTQLPRYHYVCIB-VIFPVBQESA-N -2 3 333.348 1.665 20 0 EDADHL C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000827403265 594668703 /nfs/dbraw/zinc/66/87/03/594668703.db2.gz AEUPDDQQFSFVJC-VHSXEESVSA-N -2 3 331.365 1.617 20 0 EDADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccco1 ZINC000831660493 594690801 /nfs/dbraw/zinc/69/08/01/594690801.db2.gz KIJPMNQCGXWNLM-GFCCVEGCSA-N -2 3 343.332 1.783 20 0 EDADHL O=C([O-])NCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000832621558 594764782 /nfs/dbraw/zinc/76/47/82/594764782.db2.gz QDFYNMABDNCCTD-UHFFFAOYSA-N -2 3 327.284 1.036 20 0 EDADHL O=C([O-])Nc1ccc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c([O-])c1 ZINC000832828846 594779574 /nfs/dbraw/zinc/77/95/74/594779574.db2.gz NDSJYGVEYSNERD-LBPRGKRZSA-N -2 3 349.387 1.276 20 0 EDADHL Cn1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(=O)[n-]c1=O ZINC000833042301 594793596 /nfs/dbraw/zinc/79/35/96/594793596.db2.gz ZULKUJVZGCTRSM-LBPRGKRZSA-N -2 3 345.355 1.068 20 0 EDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)cc(F)c1F ZINC000833304873 594823630 /nfs/dbraw/zinc/82/36/30/594823630.db2.gz NMNMGUJCMIKXQO-QMMMGPOBSA-N -2 3 335.328 1.510 20 0 EDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)OC ZINC000840892470 594824193 /nfs/dbraw/zinc/82/41/93/594824193.db2.gz TWWQJONQLOSPGF-AWEZNQCLSA-N -2 3 333.381 1.926 20 0 EDADHL CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000833456719 594851204 /nfs/dbraw/zinc/85/12/04/594851204.db2.gz XAQQIFRTJSHHKR-UHFFFAOYSA-N -2 3 327.358 1.439 20 0 EDADHL CC(C)C[C@@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000833478998 594856288 /nfs/dbraw/zinc/85/62/88/594856288.db2.gz BVNYNSLKMXNEBA-GFCCVEGCSA-N -2 3 329.374 1.714 20 0 EDADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN[C@]1(C)CCCC[C@H]1C(=O)[O-] ZINC000833515366 594863164 /nfs/dbraw/zinc/86/31/64/594863164.db2.gz FLGCFJRHDCNPDU-UVBSCNOISA-N -2 3 348.447 1.838 20 0 EDADHL C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000833628296 594891407 /nfs/dbraw/zinc/89/14/07/594891407.db2.gz FPVWKCHHTUAGSD-GFCCVEGCSA-N -2 3 346.383 1.479 20 0 EDADHL CCS(=O)(=O)c1ccc([O-])c([N-]C(=O)c2cc(C(=O)[O-])no2)c1 ZINC000833665995 594901377 /nfs/dbraw/zinc/90/13/77/594901377.db2.gz OSAAPGRDEZJCNI-UHFFFAOYSA-N -3 3 340.313 1.124 20 0 EDADHL COC(=O)c1cccc2nc(NC(=O)c3ccnc(C(=O)[O-])c3)[n-]c21 ZINC000833716561 594914438 /nfs/dbraw/zinc/91/44/38/594914438.db2.gz LUYGTAURJSCGMW-UHFFFAOYSA-N -2 3 340.295 1.695 20 0 EDADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccnc(C(=O)[O-])c3)nc21 ZINC000833716561 594914440 /nfs/dbraw/zinc/91/44/40/594914440.db2.gz LUYGTAURJSCGMW-UHFFFAOYSA-N -2 3 340.295 1.695 20 0 EDADHL CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000833853080 594949270 /nfs/dbraw/zinc/94/92/70/594949270.db2.gz DXBVSLPGKCUNBM-CYBMUJFWSA-N -2 3 349.387 1.955 20 0 EDADHL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1 ZINC000841783136 594951835 /nfs/dbraw/zinc/95/18/35/594951835.db2.gz NTKLKHNMEFKQDJ-ZDUSSCGKSA-N -2 3 349.792 1.047 20 0 EDADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000834172034 595039787 /nfs/dbraw/zinc/03/97/87/595039787.db2.gz HKQPJPVBBWPQBJ-SFYZADRCSA-N -2 3 326.271 1.035 20 0 EDADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000846003580 595119331 /nfs/dbraw/zinc/11/93/31/595119331.db2.gz ZEPXYGMAHKLOOI-UHFFFAOYSA-N -2 3 344.286 1.191 20 0 EDADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c1 ZINC000848675446 595426545 /nfs/dbraw/zinc/42/65/45/595426545.db2.gz AQMFBEVTRAWESQ-MRVPVSSYSA-N -2 3 347.364 1.310 20 0 EDADHL COc1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)cnc1Cl ZINC000853023973 595644056 /nfs/dbraw/zinc/64/40/56/595644056.db2.gz BYLIMIODNDWQEC-JTQLQIEISA-N -2 3 348.808 1.523 20 0 EDADHL COc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C(=O)[O-])CCSC1 ZINC000851599551 595852266 /nfs/dbraw/zinc/85/22/66/595852266.db2.gz GYJGMAACNDBGCZ-ZDUSSCGKSA-N -2 3 331.340 1.864 20 0 EDADHL Cc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cn1 ZINC000852733727 596234958 /nfs/dbraw/zinc/23/49/58/596234958.db2.gz XLFRDHIDXBEKCT-VXGBXAGGSA-N -2 3 345.321 1.486 20 0 EDADHL O=C([O-])Cc1csc(C[N-]S(=O)(=O)CC2CCCCC2)n1 ZINC000871769634 596690944 /nfs/dbraw/zinc/69/09/44/596690944.db2.gz IELUYKRPFVVFMS-UHFFFAOYSA-N -2 3 332.447 1.770 20 0 EDADHL CCOCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000871821831 596715106 /nfs/dbraw/zinc/71/51/06/596715106.db2.gz OFDMWSWCIQIZHW-UHFFFAOYSA-N -2 3 333.381 1.927 20 0 EDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)cc1C(=O)[O-] ZINC000871970111 596765657 /nfs/dbraw/zinc/76/56/57/596765657.db2.gz FYWGGWJJSNWSGG-CYBMUJFWSA-N -2 3 343.376 1.680 20 0 EDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000872000638 596791284 /nfs/dbraw/zinc/79/12/84/596791284.db2.gz KIUKIBJBTGYYBS-RBQUTUCGSA-N -2 3 345.392 1.923 20 0 EDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000872000639 596791387 /nfs/dbraw/zinc/79/13/87/596791387.db2.gz KIUKIBJBTGYYBS-YCWTYVPXSA-N -2 3 345.392 1.923 20 0 EDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2)o1 ZINC000740174985 599779793 /nfs/dbraw/zinc/77/97/93/599779793.db2.gz AGIRALOJBPGHTP-NSHDSACASA-N -2 3 336.369 1.535 20 0 EDADHL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000738811265 602879604 /nfs/dbraw/zinc/87/96/04/602879604.db2.gz MJTZQRXACZYOHB-SECBINFHSA-N -2 3 335.813 1.696 20 0 EDADHL C[C@@H](NC(=O)[O-])[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000739008801 603056211 /nfs/dbraw/zinc/05/62/11/603056211.db2.gz KAMVVZPQGBVWDN-ZWNOBZJWSA-N -2 3 344.371 1.986 20 0 EDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Br)c[nH]1 ZINC000236459845 604403139 /nfs/dbraw/zinc/40/31/39/604403139.db2.gz IDHDRLRLSFFKDL-UHFFFAOYSA-N -2 3 346.162 1.671 20 0 EDADHL Cc1nc(C)c(CCC(=O)NCC2(C(=O)[O-])CCCCC2)c(=O)[n-]1 ZINC000325417309 605464395 /nfs/dbraw/zinc/46/43/95/605464395.db2.gz VTYKFCGFCKWCIN-UHFFFAOYSA-N -2 3 335.404 1.883 20 0 EDADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064477282 697706446 /nfs/dbraw/zinc/70/64/46/697706446.db2.gz FWOFPDKXYZANHD-UHFFFAOYSA-N -2 3 343.405 1.074 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)cn1C ZINC000560481384 306270919 /nfs/dbraw/zinc/27/09/19/306270919.db2.gz ZFSNMOWHTWETSZ-LLVKDONJSA-N -2 3 343.430 1.709 20 0 EDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000562781890 306308454 /nfs/dbraw/zinc/30/84/54/306308454.db2.gz MJLQZERONUKFJB-NWDGAFQWSA-N -2 3 343.449 1.806 20 0 EDADHL Cc1ccc(-c2nc([N-]C(=O)c3c(C)oc4nc[nH]c(=O)c43)n[n-]2)o1 ZINC000181888834 540128189 /nfs/dbraw/zinc/12/81/89/540128189.db2.gz WBMXJMLSLRZWLQ-UHFFFAOYSA-N -2 3 340.299 1.763 20 0 EDADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000036833075 213121512 /nfs/dbraw/zinc/12/15/12/213121512.db2.gz ZLJCEOMSOVVIIJ-UHFFFAOYSA-N -2 3 326.399 1.859 20 0 EDADHL C[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000035188515 213013000 /nfs/dbraw/zinc/01/30/00/213013000.db2.gz CPGIKBFKTHYABD-RXMQYKEDSA-N -2 3 328.173 1.351 20 0 EDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(F)F ZINC000564206106 306356838 /nfs/dbraw/zinc/35/68/38/306356838.db2.gz IPVNPRGARPIDHV-LURJTMIESA-N -2 3 329.271 1.599 20 0 EDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C)O2)c1 ZINC000414336015 304107940 /nfs/dbraw/zinc/10/79/40/304107940.db2.gz CMNSQGAPUXAEEV-NXEZZACHSA-N -2 3 331.365 1.678 20 0 EDADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3F)ccc21 ZINC000078535893 217069945 /nfs/dbraw/zinc/06/99/45/217069945.db2.gz SSHXWKSAHZZDMQ-UHFFFAOYSA-N -2 3 338.291 1.649 20 0 EDADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOC1 ZINC000085855205 304214365 /nfs/dbraw/zinc/21/43/65/304214365.db2.gz NROLAMBIFHNTHZ-NSHDSACASA-N -2 3 340.184 1.515 20 0 EDADHL C[C@](O)(CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000263430897 139341407 /nfs/dbraw/zinc/34/14/07/139341407.db2.gz NJXZYVKUEBIMOQ-LBPRGKRZSA-N -2 3 329.765 1.357 20 0 EDADHL O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000270642549 140139883 /nfs/dbraw/zinc/13/98/83/140139883.db2.gz YJVJLFYOTVZEIL-GHMZBOCLSA-N -2 3 342.355 1.881 20 0 EDADHL CC(=O)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1[O-] ZINC000332290849 141157079 /nfs/dbraw/zinc/15/70/79/141157079.db2.gz JKEFQQYTLHDFQJ-NSHDSACASA-N -2 3 330.344 1.438 20 0 EDADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C12CCC2 ZINC000572957631 306605364 /nfs/dbraw/zinc/60/53/64/306605364.db2.gz ONUHEYKNFQULOC-MNOVXSKESA-N -2 3 329.374 1.604 20 0 EDADHL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)C[C@H]1C ZINC000408500525 158381807 /nfs/dbraw/zinc/38/18/07/158381807.db2.gz NRRVPRJZUXQTKG-GMTAPVOTSA-N -2 3 336.417 1.835 20 0 EDADHL COCCOCCS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000269998999 292586680 /nfs/dbraw/zinc/58/66/80/292586680.db2.gz XSJHTFLTDSZCDK-UHFFFAOYSA-N -2 3 345.417 1.913 20 0 EDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000274082292 268103782 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CCCn1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736501951 593013221 /nfs/dbraw/zinc/01/32/21/593013221.db2.gz IQQARQCDIJGEQX-UHFFFAOYSA-N -2 3 347.404 1.582 20 0 EDADHL O=C(Nc1cc(-c2ccn(Cc3ccccc3)n2)n[n-]1)c1cc(=O)[nH][n-]1 ZINC000807857202 593204632 /nfs/dbraw/zinc/20/46/32/593204632.db2.gz MMVZNPGHWGWNQW-UHFFFAOYSA-N -2 3 349.354 1.136 20 0 EDADHL CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CCO1 ZINC000817574281 593614303 /nfs/dbraw/zinc/61/43/03/593614303.db2.gz XRWIOZQNOLYJSU-QWRGUYRKSA-N -2 3 331.365 1.760 20 0 EDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC000819023473 593734296 /nfs/dbraw/zinc/73/42/96/593734296.db2.gz KCYMAILSHSYWKS-UHFFFAOYSA-N -2 3 335.813 1.448 20 0 EDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000819023608 593734377 /nfs/dbraw/zinc/73/43/77/593734377.db2.gz UTDCZPNGKKDWAE-UHFFFAOYSA-N -2 3 343.792 1.559 20 0 EDADHL CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000820539125 593827269 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CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821008364 593944226 /nfs/dbraw/zinc/94/42/26/593944226.db2.gz JOYHWSCNKMRVKI-SNVBAGLBSA-N -2 3 337.405 1.249 20 0 EDADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821008364 593944227 /nfs/dbraw/zinc/94/42/27/593944227.db2.gz JOYHWSCNKMRVKI-SNVBAGLBSA-N -2 3 337.405 1.249 20 0 EDADHL CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000824178128 593946835 /nfs/dbraw/zinc/94/68/35/593946835.db2.gz MYBCRAZUQHZJDY-LBPRGKRZSA-N -2 3 344.375 1.158 20 0 EDADHL CCCn1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cn1 ZINC000821149179 593977267 /nfs/dbraw/zinc/97/72/67/593977267.db2.gz UHDADEFZTQMJOW-UHFFFAOYSA-N -2 3 347.404 1.582 20 0 EDADHL CCCn1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000821149179 593977270 /nfs/dbraw/zinc/97/72/70/593977270.db2.gz UHDADEFZTQMJOW-UHFFFAOYSA-N -2 3 347.404 1.582 20 0 EDADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H]2CCCCN2C(=O)[O-])c1 ZINC000824323719 593985654 /nfs/dbraw/zinc/98/56/54/593985654.db2.gz KEXZLVONERBKNR-GFCCVEGCSA-N -2 3 344.437 1.350 20 0 EDADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2 ZINC000822222512 594013848 /nfs/dbraw/zinc/01/38/48/594013848.db2.gz JUGWHAVPTVCLRW-LLVKDONJSA-N -2 3 347.400 1.170 20 0 EDADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2 ZINC000822222512 594013850 /nfs/dbraw/zinc/01/38/50/594013850.db2.gz JUGWHAVPTVCLRW-LLVKDONJSA-N -2 3 347.400 1.170 20 0 EDADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2O)cc1C ZINC000822266775 594021196 /nfs/dbraw/zinc/02/11/96/594021196.db2.gz HYXMJDBPGDKRBM-UHFFFAOYSA-N -2 3 345.384 1.990 20 0 EDADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C ZINC000822266775 594021199 /nfs/dbraw/zinc/02/11/99/594021199.db2.gz HYXMJDBPGDKRBM-UHFFFAOYSA-N -2 3 345.384 1.990 20 0 EDADHL C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CN1CCC[C@H]1CN(C)C(=O)[O-] ZINC000824545003 594036156 /nfs/dbraw/zinc/03/61/56/594036156.db2.gz UGLBGAZBWYOCJQ-OCCSQVGLSA-N -2 3 349.435 1.289 20 0 EDADHL Cc1nccn1CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822477334 594054423 /nfs/dbraw/zinc/05/44/23/594054423.db2.gz LAAOMPZWCDRQOC-UHFFFAOYSA-N -2 3 327.348 1.496 20 0 EDADHL C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000824731141 594064087 /nfs/dbraw/zinc/06/40/87/594064087.db2.gz SFRIPGGHRFXADB-JTQLQIEISA-N -2 3 347.375 1.394 20 0 EDADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000824731141 594064089 /nfs/dbraw/zinc/06/40/89/594064089.db2.gz SFRIPGGHRFXADB-JTQLQIEISA-N -2 3 347.375 1.394 20 0 EDADHL CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000825242396 594154151 /nfs/dbraw/zinc/15/41/51/594154151.db2.gz QDEYHQZDRULOHA-SKDRFNHKSA-N -2 3 333.348 1.004 20 0 EDADHL CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825242396 594154153 /nfs/dbraw/zinc/15/41/53/594154153.db2.gz QDEYHQZDRULOHA-SKDRFNHKSA-N -2 3 333.348 1.004 20 0 EDADHL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000825449089 594186861 /nfs/dbraw/zinc/18/68/61/594186861.db2.gz KCDFQEDOIHKUGH-MFKMUULPSA-N -2 3 328.390 1.936 20 0 EDADHL O=C([N-]n1cnc2ccccc2c1=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823387579 594195603 /nfs/dbraw/zinc/19/56/03/594195603.db2.gz PODUHTYGEGBPEU-UHFFFAOYSA-N -2 3 339.340 1.022 20 0 EDADHL O=C([N-]n1cnc2ccccc2c1=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823387579 594195605 /nfs/dbraw/zinc/19/56/05/594195605.db2.gz PODUHTYGEGBPEU-UHFFFAOYSA-N -2 3 339.340 1.022 20 0 EDADHL O=S(=O)([N-]CCC1CCC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823572087 594218247 /nfs/dbraw/zinc/21/82/47/594218247.db2.gz BGWKRMAEHJYNKM-UHFFFAOYSA-N -2 3 343.359 1.613 20 0 EDADHL O=S(=O)([N-]CCC1CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572087 594218248 /nfs/dbraw/zinc/21/82/48/594218248.db2.gz BGWKRMAEHJYNKM-UHFFFAOYSA-N -2 3 343.359 1.613 20 0 EDADHL C[C@@]1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCN(C(=O)[O-])C1 ZINC000825685163 594225338 /nfs/dbraw/zinc/22/53/38/594225338.db2.gz SUTJJVPMGISNJR-OAHLLOKOSA-N -2 3 333.323 1.939 20 0 EDADHL COc1nc([N-]S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)n[n-]1 ZINC000829742956 594252374 /nfs/dbraw/zinc/25/23/74/594252374.db2.gz WHWGOBVOJFHVBB-UHFFFAOYSA-N -2 3 336.373 1.551 20 0 EDADHL C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@@H]1CNC(=O)[O-] ZINC000825919622 594279374 /nfs/dbraw/zinc/27/93/74/594279374.db2.gz POZRJNLYJXRIDI-NOZJJQNGSA-N -2 3 345.355 1.079 20 0 EDADHL CCCCC[C@H]([N-]S(=O)(=O)c1cnccc1OCC)C(=O)[O-] ZINC000829929403 594293748 /nfs/dbraw/zinc/29/37/48/594293748.db2.gz VNEBOCBMTLZHBW-NSHDSACASA-N -2 3 330.406 1.792 20 0 EDADHL Cc1cc([N-]C(=O)[C@H](C)OC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)on1 ZINC000830096889 594336843 /nfs/dbraw/zinc/33/68/43/594336843.db2.gz MCYJURIAIKCOLZ-HBNTYKKESA-N -2 3 339.348 1.680 20 0 EDADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000826256586 594401537 /nfs/dbraw/zinc/40/15/37/594401537.db2.gz QMOSVYLOQCVOCW-UHFFFAOYSA-N -2 3 349.376 1.482 20 0 EDADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000826256586 594401538 /nfs/dbraw/zinc/40/15/38/594401538.db2.gz QMOSVYLOQCVOCW-UHFFFAOYSA-N -2 3 349.376 1.482 20 0 EDADHL Cc1ccn2ncc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3[O-])c2c1 ZINC000826308713 594418046 /nfs/dbraw/zinc/41/80/46/594418046.db2.gz LXUSSLNIXXYTQG-UHFFFAOYSA-N -2 3 335.327 1.781 20 0 EDADHL Cc1nc(C)c(CCC(=O)N2CC[C@@H](NC(=O)[O-])C[C@@H]2C)c(=O)[n-]1 ZINC000830716110 594463254 /nfs/dbraw/zinc/46/32/54/594463254.db2.gz OFUCTHDCUHNKKW-JOYOIKCWSA-N -2 3 336.392 1.379 20 0 EDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](CNC(=O)[O-])CC(C)C)s1 ZINC000830727072 594466220 /nfs/dbraw/zinc/46/62/20/594466220.db2.gz GINVRFSPRBIBIK-JTQLQIEISA-N -2 3 335.451 1.721 20 0 EDADHL COC(=O)Cc1n[n-]c(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000828699555 594481958 /nfs/dbraw/zinc/48/19/58/594481958.db2.gz IESGVAGFMRCHKF-UHFFFAOYSA-N -2 3 333.304 1.171 20 0 EDADHL COC(=O)Cc1nnc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)[n-]1 ZINC000828699555 594481960 /nfs/dbraw/zinc/48/19/60/594481960.db2.gz IESGVAGFMRCHKF-UHFFFAOYSA-N -2 3 333.304 1.171 20 0 EDADHL COC(=O)Cc1nc(NC(=O)c2ccc(C)c(NC(=O)[O-])c2)n[n-]1 ZINC000828699555 594481962 /nfs/dbraw/zinc/48/19/62/594481962.db2.gz IESGVAGFMRCHKF-UHFFFAOYSA-N -2 3 333.304 1.171 20 0 EDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830914178 594511445 /nfs/dbraw/zinc/51/14/45/594511445.db2.gz NOVVJECMLAQHDL-GHMZBOCLSA-N -2 3 331.394 1.396 20 0 EDADHL COc1ccc(NC[C@@H]2CCCN2C(=O)[O-])cc1[N-]S(C)(=O)=O ZINC000829479513 594622735 /nfs/dbraw/zinc/62/27/35/594622735.db2.gz JCXCUQPJVKNDBJ-NSHDSACASA-N -2 3 343.405 1.621 20 0 EDADHL C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827392096 594667911 /nfs/dbraw/zinc/66/79/11/594667911.db2.gz SDUPLYJOZXVUGT-JTQLQIEISA-N -2 3 337.353 1.918 20 0 EDADHL O=C([O-])N1CCC[C@@H](OCC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000831516555 594680186 /nfs/dbraw/zinc/68/01/86/594680186.db2.gz GHRZQEZWJSIBGJ-LLVKDONJSA-N -2 3 326.324 1.307 20 0 EDADHL COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831649828 594689908 /nfs/dbraw/zinc/68/99/08/594689908.db2.gz GCOANLONWKWFDS-LBPRGKRZSA-N -2 3 339.369 1.514 20 0 EDADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000832483605 594753676 /nfs/dbraw/zinc/75/36/76/594753676.db2.gz SBJPSZIPSUIBRM-UFBFGSQYSA-N -2 3 334.344 1.679 20 0 EDADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832774666 594775707 /nfs/dbraw/zinc/77/57/07/594775707.db2.gz WNVWULHWTZWSJN-SSDOTTSWSA-N -3 3 333.387 1.569 20 0 EDADHL Cc1oc(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)cc1C(=O)[O-] ZINC000832859240 594781536 /nfs/dbraw/zinc/78/15/36/594781536.db2.gz WFDSUYXSTZIPBP-UHFFFAOYSA-N -2 3 326.330 1.094 20 0 EDADHL Cc1oc(S(=O)(=O)[N-]c2c(C)ccn(C)c2=O)cc1C(=O)[O-] ZINC000832982324 594789015 /nfs/dbraw/zinc/78/90/15/594789015.db2.gz AWMUKCZPYNGLMR-UHFFFAOYSA-N -2 3 326.330 1.094 20 0 EDADHL Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC000833018298 594791691 /nfs/dbraw/zinc/79/16/91/594791691.db2.gz QBYQKLOJZMOXHG-QRJSTWQJSA-N -2 3 337.357 1.515 20 0 EDADHL Cc1oc(S(=O)(=O)[N-]Cc2cn3c(n2)CCCC3)cc1C(=O)[O-] ZINC000833026426 594792399 /nfs/dbraw/zinc/79/23/99/594792399.db2.gz BFSMOBQWNIVBHU-UHFFFAOYSA-N -2 3 339.373 1.298 20 0 EDADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833037251 594793182 /nfs/dbraw/zinc/79/31/82/594793182.db2.gz XHGSYAURQJOLCZ-INIZCTEOSA-N -2 3 348.334 1.190 20 0 EDADHL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000833158617 594801853 /nfs/dbraw/zinc/80/18/53/594801853.db2.gz PSNQLXUXRNEDKM-UHFFFAOYSA-N -2 3 327.275 1.956 20 0 EDADHL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000833158617 594801854 /nfs/dbraw/zinc/80/18/54/594801854.db2.gz PSNQLXUXRNEDKM-UHFFFAOYSA-N -2 3 327.275 1.956 20 0 EDADHL O=C([O-])Cc1nc([N-]C(=O)c2cc(-c3ccccc3)ns2)n[nH]1 ZINC000833270751 594817577 /nfs/dbraw/zinc/81/75/77/594817577.db2.gz ZRVXANYOYBOVJE-UHFFFAOYSA-N -2 3 329.341 1.808 20 0 EDADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)COC1 ZINC000840894264 594824075 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CCc1noc(C)c1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825775965 594244139 /nfs/dbraw/zinc/24/41/39/594244139.db2.gz AWJXPEODASPRIR-UHFFFAOYSA-N -2 3 334.361 1.526 20 0 EDADHL C[C@H]1CCCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)[C@H]1CNC(=O)[O-] ZINC000825919625 594279483 /nfs/dbraw/zinc/27/94/83/594279483.db2.gz POZRJNLYJXRIDI-ZANVPECISA-N -2 3 345.355 1.079 20 0 EDADHL C[C@H]1CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)CCN1C(=O)[O-] ZINC000826035325 594312368 /nfs/dbraw/zinc/31/23/68/594312368.db2.gz UIAZFDNOHSYKNO-JTQLQIEISA-N -2 3 334.372 1.930 20 0 EDADHL COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000826165068 594356985 /nfs/dbraw/zinc/35/69/85/594356985.db2.gz DOEDUGWAXBKXDV-UHFFFAOYSA-N -2 3 346.372 1.209 20 0 EDADHL COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000826165068 594356986 /nfs/dbraw/zinc/35/69/86/594356986.db2.gz DOEDUGWAXBKXDV-UHFFFAOYSA-N -2 3 346.372 1.209 20 0 EDADHL COCc1nc(C)c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])s1 ZINC000826165266 594357122 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1.461 20 0 EDADHL CC1(C)[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(F)F ZINC000663427831 453795825 /nfs/dbraw/zinc/79/58/25/453795825.db2.gz YFSLOCCFADDAPI-ZCFIWIBFSA-N -2 3 326.346 1.411 20 0 EDADHL CCC[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000680882298 486883506 /nfs/dbraw/zinc/88/35/06/486883506.db2.gz NSZCEPQQNNFJAB-ZETCQYMHSA-N -2 3 348.764 1.306 20 0 EDADHL CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000233998789 485546801 /nfs/dbraw/zinc/54/68/01/485546801.db2.gz HZAFXBWVBAEZNV-JGVFFNPUSA-N -2 3 336.460 1.794 20 0 EDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)C(F)F ZINC000685208832 491002917 /nfs/dbraw/zinc/00/29/17/491002917.db2.gz KYZUXNPNJWUAMB-ZCFIWIBFSA-N -2 3 328.724 1.369 20 0 EDADHL O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000740318439 579330919 /nfs/dbraw/zinc/33/09/19/579330919.db2.gz JRYUGWYBENZCGD-NSHDSACASA-N -2 3 342.298 1.729 20 0 EDADHL O=C([O-])N1CCC(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000740414832 579343354 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Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737445425 579092189 /nfs/dbraw/zinc/09/21/89/579092189.db2.gz HCLPNLWXNFNWQT-UHFFFAOYSA-N -2 3 340.365 1.572 20 0 EDADHL COc1ccc([C@H](NC(=O)c2ccc(OC)cc2[O-])C(=O)[O-])cc1 ZINC000737964509 579144823 /nfs/dbraw/zinc/14/48/23/579144823.db2.gz NOJHNMJCPBPOMB-HNNXBMFYSA-N -2 3 331.324 1.965 20 0 EDADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000740168370 579296306 /nfs/dbraw/zinc/29/63/06/579296306.db2.gz QVNDTEJWFMBKIR-UHFFFAOYSA-N -2 3 340.332 1.276 20 0 EDADHL Cc1nc(C)c(CCC(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)c(=O)[n-]1 ZINC000740217053 579301462 /nfs/dbraw/zinc/30/14/62/579301462.db2.gz KJWWXJCUPFTZON-LBPRGKRZSA-N -2 3 336.392 1.190 20 0 EDADHL Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000751143588 579795298 /nfs/dbraw/zinc/79/52/98/579795298.db2.gz ZUZLPMPCCYJTKE-UHFFFAOYSA-N -2 3 340.332 1.332 20 0 EDADHL COCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000766571209 580169694 /nfs/dbraw/zinc/16/96/94/580169694.db2.gz LEVMWWGDLXJCNE-UHFFFAOYSA-N -2 3 346.364 1.517 20 0 EDADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[N-]OCC(F)(F)F ZINC000766771547 580173423 /nfs/dbraw/zinc/17/34/23/580173423.db2.gz NITMCVAPFMJMPJ-ZETCQYMHSA-N -2 3 344.286 1.103 20 0 EDADHL CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)ccc1F ZINC000767071836 580180974 /nfs/dbraw/zinc/18/09/74/580180974.db2.gz DVIFCONBZFGTLP-LLVKDONJSA-N -2 3 344.364 1.180 20 0 EDADHL C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)c2c([O-])cccc21 ZINC000768664174 580218301 /nfs/dbraw/zinc/21/83/01/580218301.db2.gz NTHLICBSLSQDDH-SNVBAGLBSA-N -2 3 339.355 1.317 20 0 EDADHL COc1ccc(C(=O)[N-]C(=O)COC(=O)c2c([O-])cccc2F)cc1 ZINC000772577574 580316117 /nfs/dbraw/zinc/31/61/17/580316117.db2.gz HYJMLTPOGKDRGO-UHFFFAOYSA-N -2 3 347.298 1.653 20 0 EDADHL O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)[N-]OC1CCCC1 ZINC000775601693 580394912 /nfs/dbraw/zinc/39/49/12/580394912.db2.gz XNFDISMTJCPJIR-UHFFFAOYSA-N -2 3 329.356 1.248 20 0 EDADHL CCc1cc(=O)[n-]c(SCC(=O)[N-]C(=O)c2ccc(OC)cc2)n1 ZINC000779368780 580484404 /nfs/dbraw/zinc/48/44/04/580484404.db2.gz OEZOOQMGEBOAHY-UHFFFAOYSA-N -2 3 347.396 1.802 20 0 EDADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000787937417 580710154 /nfs/dbraw/zinc/71/01/54/580710154.db2.gz YQOMPLYSBDVXIL-VIFPVBQESA-N -2 3 339.291 1.416 20 0 EDADHL Cc1cc(Br)c(S(=O)(=O)[N-]C/C=C/C(=O)[O-])s1 ZINC000788446655 580721497 /nfs/dbraw/zinc/72/14/97/580721497.db2.gz NWFUKVNJRYNDGO-NSCUHMNNSA-N -2 3 340.220 1.738 20 0 EDADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)nc1Cl ZINC000788456291 580721711 /nfs/dbraw/zinc/72/17/11/580721711.db2.gz LWACZOUURDUMMF-SNVBAGLBSA-N -2 3 343.792 1.220 20 0 EDADHL C[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)[C@H](C)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000790548802 580772803 /nfs/dbraw/zinc/77/28/03/580772803.db2.gz HDKPOPPBPZWRLD-XJFOESAGSA-N -2 3 344.408 1.407 20 0 EDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(Br)ccc1[O-] ZINC000898728371 591491680 /nfs/dbraw/zinc/49/16/80/591491680.db2.gz JOUFVYNWYGOKIM-MRVPVSSYSA-N -2 3 340.177 1.397 20 0 EDADHL CN(C)[C@H](C(=O)NCc1nc([O-])cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000898753822 591513089 /nfs/dbraw/zinc/51/30/89/591513089.db2.gz RJVZGIDPJKTHGY-AWEZNQCLSA-N -2 3 336.779 1.460 20 0 EDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)[C@H]1CCN(c2ccccc2F)C1 ZINC000898754777 591513697 /nfs/dbraw/zinc/51/36/97/591513697.db2.gz KVJIZJCQZDWMKK-JTQLQIEISA-N -2 3 332.335 1.170 20 0 EDADHL O=C([O-])[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)[C@H]1CCCOC1 ZINC000909536854 591630381 /nfs/dbraw/zinc/63/03/81/591630381.db2.gz GPZLQRQYUGGKDM-BLLLJJGKSA-N -2 3 339.363 1.850 20 0 EDADHL C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000903504584 592181496 /nfs/dbraw/zinc/18/14/96/592181496.db2.gz XLNDMRAODCKDFB-IINYFYTJSA-N -2 3 332.381 1.787 20 0 EDADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000906910675 592400444 /nfs/dbraw/zinc/40/04/44/592400444.db2.gz ABLLGYAAYMFJSC-WDEREUQCSA-N -2 3 342.417 1.112 20 0 EDADHL COc1cccc(C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000901707911 592447769 /nfs/dbraw/zinc/44/77/69/592447769.db2.gz XQDHXUROOXVQEJ-LBPRGKRZSA-N -2 3 339.298 1.463 20 0 EDADHL CSC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000906005790 592715482 /nfs/dbraw/zinc/71/54/82/592715482.db2.gz VKEFVHHCYFAGFV-VIFPVBQESA-N -2 3 341.813 1.882 20 0 EDADHL C[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909160335 592743748 /nfs/dbraw/zinc/74/37/48/592743748.db2.gz ZEYRKFSTEBRLNB-SSDOTTSWSA-N -2 3 331.166 1.769 20 0 EDADHL O=C([O-])C[C@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CCOC1 ZINC000909697312 592808958 /nfs/dbraw/zinc/80/89/58/592808958.db2.gz XFOJVPAAKMJROS-MRXNPFEDSA-N -2 3 325.336 1.604 20 0 EDADHL O=C([O-])C1CC2(C1)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)CCO2 ZINC000910615720 592878423 /nfs/dbraw/zinc/87/84/23/592878423.db2.gz MTSGHDYAMFIRDU-VMBJYNEYSA-N -2 3 337.347 1.602 20 0 EDADHL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1csc(=O)[n-]1 ZINC000911316983 592998026 /nfs/dbraw/zinc/99/80/26/592998026.db2.gz GUTJEKVGINBNBD-JTQLQIEISA-N -2 3 347.396 1.898 20 0 EDADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)ccn1C(C)C ZINC000838912886 593231284 /nfs/dbraw/zinc/23/12/84/593231284.db2.gz KOWPTIHMFHLVMM-UHFFFAOYSA-N -2 3 347.400 1.767 20 0 EDADHL C[C@H]1CC[C@H](CCC(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)O1 ZINC000838916279 593231837 /nfs/dbraw/zinc/23/18/37/593231837.db2.gz GCIYLEVZDALFJW-VHSXEESVSA-N -2 3 338.389 1.111 20 0 EDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCCOC2)s1 ZINC000819106735 593739174 /nfs/dbraw/zinc/73/91/74/593739174.db2.gz AMJXXVFEHXLQFR-GFCCVEGCSA-N -2 3 334.419 1.062 20 0 EDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000819868446 593772792 /nfs/dbraw/zinc/77/27/92/593772792.db2.gz YDBWPSMUSSAIFS-SECBINFHSA-N -2 3 347.356 1.068 20 0 EDADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000819868446 593772793 /nfs/dbraw/zinc/77/27/93/593772793.db2.gz YDBWPSMUSSAIFS-SECBINFHSA-N -2 3 347.356 1.068 20 0 EDADHL COc1cc(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)ccc1C ZINC000821589743 593872441 /nfs/dbraw/zinc/87/24/41/593872441.db2.gz AMQJKXJVNYSFCP-UHFFFAOYSA-N -2 3 346.368 1.394 20 0 EDADHL CCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000820944352 593926224 /nfs/dbraw/zinc/92/62/24/593926224.db2.gz LNIROWFJCJESCL-UHFFFAOYSA-N -2 3 335.389 1.170 20 0 EDADHL CCC1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000820944352 593926226 /nfs/dbraw/zinc/92/62/26/593926226.db2.gz LNIROWFJCJESCL-UHFFFAOYSA-N -2 3 335.389 1.170 20 0 EDADHL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2O)c1 ZINC000824377638 593997715 /nfs/dbraw/zinc/99/77/15/593997715.db2.gz JLRSYAGKFKGXSU-UHFFFAOYSA-N -2 3 349.376 1.151 20 0 EDADHL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000824377638 593997716 /nfs/dbraw/zinc/99/77/16/593997716.db2.gz JLRSYAGKFKGXSU-UHFFFAOYSA-N -2 3 349.376 1.151 20 0 EDADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000824402298 594003585 /nfs/dbraw/zinc/00/35/85/594003585.db2.gz VJEVINJGXOTLHK-VHSXEESVSA-N -2 3 333.348 1.004 20 0 EDADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)CCC(=O)[O-] ZINC000824402298 594003587 /nfs/dbraw/zinc/00/35/87/594003587.db2.gz VJEVINJGXOTLHK-VHSXEESVSA-N -2 3 333.348 1.004 20 0 EDADHL Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2nnn[n-]2)n1 ZINC000822191502 594005996 /nfs/dbraw/zinc/00/59/96/594005996.db2.gz JUGCEUOREBPUKX-UHFFFAOYSA-N -2 3 343.298 1.394 20 0 EDADHL Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2nn[n-]n2)n1 ZINC000822191502 594005999 /nfs/dbraw/zinc/00/59/99/594005999.db2.gz JUGCEUOREBPUKX-UHFFFAOYSA-N -2 3 343.298 1.394 20 0 EDADHL Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2nnn[n-]2)n1 ZINC000822191502 594006002 /nfs/dbraw/zinc/00/60/02/594006002.db2.gz JUGCEUOREBPUKX-UHFFFAOYSA-N -2 3 343.298 1.394 20 0 EDADHL Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2nn[n-]n2)n1 ZINC000822191502 594006005 /nfs/dbraw/zinc/00/60/05/594006005.db2.gz JUGCEUOREBPUKX-UHFFFAOYSA-N -2 3 343.298 1.394 20 0 EDADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1O ZINC000822205782 594009520 /nfs/dbraw/zinc/00/95/20/594009520.db2.gz IKDMMGJGKZOSSW-UHFFFAOYSA-N -2 3 349.347 1.821 20 0 EDADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822205782 594009522 /nfs/dbraw/zinc/00/95/22/594009522.db2.gz IKDMMGJGKZOSSW-UHFFFAOYSA-N -2 3 349.347 1.821 20 0 EDADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000824731143 594063725 /nfs/dbraw/zinc/06/37/25/594063725.db2.gz SFRIPGGHRFXADB-SNVBAGLBSA-N -2 3 347.375 1.394 20 0 EDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000824731143 594063727 /nfs/dbraw/zinc/06/37/27/594063727.db2.gz SFRIPGGHRFXADB-SNVBAGLBSA-N -2 3 347.375 1.394 20 0 EDADHL C[C@@H](S[C@@H](C)C(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC000824753570 594069065 /nfs/dbraw/zinc/06/90/65/594069065.db2.gz FFQOKHSNTAKEQH-NTSWFWBYSA-N -2 3 327.391 1.462 20 0 EDADHL C[C@@H](S[C@@H](C)C(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC000824753570 594069066 /nfs/dbraw/zinc/06/90/66/594069066.db2.gz FFQOKHSNTAKEQH-NTSWFWBYSA-N -2 3 327.391 1.462 20 0 EDADHL O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(F)cc1[O-] ZINC000823050264 594144498 /nfs/dbraw/zinc/14/44/98/594144498.db2.gz SVLJMSSKAPVVJU-UHFFFAOYSA-N -2 3 329.291 1.729 20 0 EDADHL O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(F)cc1[O-] ZINC000823050264 594144500 /nfs/dbraw/zinc/14/45/00/594144500.db2.gz SVLJMSSKAPVVJU-UHFFFAOYSA-N -2 3 329.291 1.729 20 0 EDADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1n[nH]c(=O)c2ccccc21 ZINC000823294468 594181503 /nfs/dbraw/zinc/18/15/03/594181503.db2.gz BMNYVNPQVMLBDE-UHFFFAOYSA-N -2 3 349.310 1.473 20 0 EDADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589223 594219629 /nfs/dbraw/zinc/21/96/29/594219629.db2.gz UGHJVMFMAFGYRY-UHFFFAOYSA-N -2 3 335.320 1.512 20 0 EDADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589223 594219630 /nfs/dbraw/zinc/21/96/30/594219630.db2.gz UGHJVMFMAFGYRY-UHFFFAOYSA-N -2 3 335.320 1.512 20 0 EDADHL CCc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc(=O)[nH]1 ZINC000825694329 594227342 /nfs/dbraw/zinc/22/73/42/594227342.db2.gz OIHVTJFCPLJIBT-UHFFFAOYSA-N -2 3 326.316 1.488 20 0 EDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2C)nc1C ZINC000825805206 594251042 /nfs/dbraw/zinc/25/10/42/594251042.db2.gz XJFPPKGKRJMUGH-UHFFFAOYSA-N -2 3 347.404 1.501 20 0 EDADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)nc1C ZINC000825805206 594251043 /nfs/dbraw/zinc/25/10/43/594251043.db2.gz XJFPPKGKRJMUGH-UHFFFAOYSA-N -2 3 347.404 1.501 20 0 EDADHL CSc1nnc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])[n-]1 ZINC000829784504 594264076 /nfs/dbraw/zinc/26/40/76/594264076.db2.gz VQQULYPEKJKCBS-CBLAIPOGSA-N -2 3 325.394 1.776 20 0 EDADHL CSc1nc(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n[n-]1 ZINC000829784504 594264079 /nfs/dbraw/zinc/26/40/79/594264079.db2.gz VQQULYPEKJKCBS-CBLAIPOGSA-N -2 3 325.394 1.776 20 0 EDADHL CSc1n[n-]c(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])n1 ZINC000829784504 594264082 /nfs/dbraw/zinc/26/40/82/594264082.db2.gz VQQULYPEKJKCBS-CBLAIPOGSA-N -2 3 325.394 1.776 20 0 EDADHL CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000829822967 594270715 /nfs/dbraw/zinc/27/07/15/594270715.db2.gz PVTOYJQKTOIBDX-JTQLQIEISA-N -2 3 347.414 1.456 20 0 EDADHL CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(F)cc1[O-] ZINC000825958415 594291649 /nfs/dbraw/zinc/29/16/49/594291649.db2.gz VQGKOBVUUUIBIT-UHFFFAOYSA-N -2 3 327.319 1.984 20 0 EDADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(F)cc1[O-] ZINC000825958415 594291651 /nfs/dbraw/zinc/29/16/51/594291651.db2.gz VQGKOBVUUUIBIT-UHFFFAOYSA-N -2 3 327.319 1.984 20 0 EDADHL Cc1cc(F)cc2c(=O)c(C(=O)NCC(C)(C)NC(=O)[O-])c[n-]c12 ZINC000830062515 594328467 /nfs/dbraw/zinc/32/84/67/594328467.db2.gz VJLSTSMBOIYYRI-UHFFFAOYSA-N -2 3 335.335 1.752 20 0 EDADHL C[C@]1(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CCOC1 ZINC000828106654 594342210 /nfs/dbraw/zinc/34/22/10/594342210.db2.gz DEWNXVYYLYNISH-CYBMUJFWSA-N -2 3 335.328 1.368 20 0 EDADHL Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](N(C)C(=O)[O-])C2)c([O-])c1 ZINC000830216303 594356191 /nfs/dbraw/zinc/35/61/91/594356191.db2.gz HDIHUAYSRWVBJS-LBPRGKRZSA-N -2 3 349.387 1.031 20 0 EDADHL COc1c(C)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1C ZINC000826167172 594358555 /nfs/dbraw/zinc/35/85/55/594358555.db2.gz SFFBHVAYQQUAQI-UHFFFAOYSA-N -2 3 349.376 1.016 20 0 EDADHL Cn1ncc2c1nc(Oc1ccc(-c3nnn[n-]3)cc1Cl)[n-]c2=O ZINC000826366797 594447784 /nfs/dbraw/zinc/44/77/84/594447784.db2.gz XXVDSMLTBFWIFR-UHFFFAOYSA-N -2 3 344.722 1.695 20 0 EDADHL Cn1ncc2c1nc(Oc1ccc(-c3nn[n-]n3)cc1Cl)[n-]c2=O ZINC000826366797 594447785 /nfs/dbraw/zinc/44/77/85/594447785.db2.gz XXVDSMLTBFWIFR-UHFFFAOYSA-N -2 3 344.722 1.695 20 0 EDADHL CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc([O-])c(OC)c1)C(=O)[O-] ZINC000828728613 594489100 /nfs/dbraw/zinc/48/91/00/594489100.db2.gz LJIVXKUBWXMQBV-OTYXRUKQSA-N -2 3 339.344 1.173 20 0 EDADHL COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000831079744 594550667 /nfs/dbraw/zinc/55/06/67/594550667.db2.gz YQZGIUYHJQLWDX-LBPRGKRZSA-N -2 3 343.401 1.392 20 0 EDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC ZINC000829341414 594599737 /nfs/dbraw/zinc/59/97/37/594599737.db2.gz YYXNYPKTKIZWDB-LLVKDONJSA-N -2 3 347.389 1.686 20 0 EDADHL O=C([O-])N1CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000831806580 594704391 /nfs/dbraw/zinc/70/43/91/594704391.db2.gz RJWYANIBQGXOLA-SSDOTTSWSA-N -2 3 337.286 1.688 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000831934242 594712596 /nfs/dbraw/zinc/71/25/96/594712596.db2.gz HDCLSEVREGZKPS-LURJTMIESA-N -2 3 341.357 1.921 20 0 EDADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000832483030 594753615 /nfs/dbraw/zinc/75/36/15/594753615.db2.gz QFEBNOMTIUBBJR-WPRPVWTQSA-N -2 3 333.797 1.450 20 0 EDADHL O=C([O-])Nc1ccc(C(=O)N2CCC(c3nnc[nH]3)CC2)c([O-])c1 ZINC000832828120 594779636 /nfs/dbraw/zinc/77/96/36/594779636.db2.gz BAFDRLLUKMZKBH-UHFFFAOYSA-N -2 3 331.332 1.620 20 0 EDADHL O=C([O-])Nc1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)c([O-])c1 ZINC000832828120 594779637 /nfs/dbraw/zinc/77/96/37/594779637.db2.gz BAFDRLLUKMZKBH-UHFFFAOYSA-N -2 3 331.332 1.620 20 0 EDADHL Cc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)C(C)(C)O)cc1C(=O)[O-] ZINC000840895633 594824612 /nfs/dbraw/zinc/82/46/12/594824612.db2.gz PJULPMSJXSCMKX-UHFFFAOYSA-N -2 3 347.408 1.908 20 0 EDADHL O=C([O-])c1ccoc1CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000833336098 594829266 /nfs/dbraw/zinc/82/92/66/594829266.db2.gz KHTADLAAJLMBOQ-UHFFFAOYSA-N -2 3 330.340 1.641 20 0 EDADHL O=C([O-])c1ccccc1CS(=O)(=O)[N-]CC(=O)Nc1ccccc1 ZINC000833764801 594924615 /nfs/dbraw/zinc/92/46/15/594924615.db2.gz NFCIGFFZOQZNDA-UHFFFAOYSA-N -2 3 348.380 1.443 20 0 EDADHL COc1cc(C(=O)N[C@@H](CNC(=O)[O-])CC(C)C)cc(OC)c1[O-] ZINC000833885340 594957750 /nfs/dbraw/zinc/95/77/50/594957750.db2.gz IHBQSLDGMJAQQZ-LLVKDONJSA-N -2 3 340.376 1.822 20 0 EDADHL O=C([O-])N(CC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000833998187 594985576 /nfs/dbraw/zinc/98/55/76/594985576.db2.gz ONBDDLJOZVFFFM-UHFFFAOYSA-N -2 3 343.177 1.913 20 0 EDADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000834100987 595014554 /nfs/dbraw/zinc/01/45/54/595014554.db2.gz WSKYMCWMBWXVBG-SECBINFHSA-N -2 3 333.797 1.403 20 0 EDADHL O=C([O-])N[C@H](CNC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000834138540 595025091 /nfs/dbraw/zinc/02/50/91/595025091.db2.gz AEYWRRFFUBSWPM-IDTUSYRASA-N -2 3 327.340 1.926 20 0 EDADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000834151188 595030803 /nfs/dbraw/zinc/03/08/03/595030803.db2.gz QUNRFTCIYFZUHS-SNVBAGLBSA-N -2 3 336.772 1.804 20 0 EDADHL O=C([O-])N[C@H]1CCC[C@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)C1 ZINC000834168336 595037943 /nfs/dbraw/zinc/03/79/43/595037943.db2.gz HOTDMKHJXUKRRJ-IUCAKERBSA-N -2 3 340.298 1.425 20 0 EDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000843295332 595064803 /nfs/dbraw/zinc/06/48/03/595064803.db2.gz LQZULMKFCQBNQP-DTWKUNHWSA-N -2 3 335.813 1.304 20 0 EDADHL O=C([O-])Nc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)c([O-])c1 ZINC000834255185 595071345 /nfs/dbraw/zinc/07/13/45/595071345.db2.gz GSBNVFLELTXZHL-LBPRGKRZSA-N -2 3 337.376 1.059 20 0 EDADHL Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837296541 595079103 /nfs/dbraw/zinc/07/91/03/595079103.db2.gz PKPANNOMLMTMLU-MRVPVSSYSA-N -2 3 340.170 1.459 20 0 EDADHL O=S(=O)(C=Cc1cccc(Br)c1)[N-]c1nc[n-]n1 ZINC000105564508 595365277 /nfs/dbraw/zinc/36/52/77/595365277.db2.gz YQGSCVFAVDPWDE-SNAWJCMRSA-N -2 3 329.179 1.980 20 0 EDADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(OC)ccc1[O-] ZINC000844658260 595368978 /nfs/dbraw/zinc/36/89/78/595368978.db2.gz YJASGBNHMQWBFY-ZDUSSCGKSA-N -2 3 331.390 1.874 20 0 EDADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c(F)c1 ZINC000853069141 595653962 /nfs/dbraw/zinc/65/39/62/595653962.db2.gz MTNAIIFEVSLXJN-LLVKDONJSA-N -2 3 342.348 1.236 20 0 EDADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OCC1CCC1 ZINC000856347250 595961270 /nfs/dbraw/zinc/96/12/70/595961270.db2.gz JGJUOPFEMCZUQH-UHFFFAOYSA-N -2 3 338.838 1.528 20 0 EDADHL CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000854614136 596135711 /nfs/dbraw/zinc/13/57/11/596135711.db2.gz YWFJNCSMAHBYID-UHFFFAOYSA-N -2 3 337.311 1.197 20 0 EDADHL CC(C)COCCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733828 596235275 /nfs/dbraw/zinc/23/52/75/596235275.db2.gz ZZFKEFXSAUOTDL-MNOVXSKESA-N -2 3 340.342 1.255 20 0 EDADHL O=C(C[N-]S(=O)(=O)c1cccs1)[N-]OCCCC(F)(F)F ZINC000871212338 596499175 /nfs/dbraw/zinc/49/91/75/596499175.db2.gz QKSFGPJCVDOPAM-UHFFFAOYSA-N -2 3 346.352 1.417 20 0 EDADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000863416289 596575916 /nfs/dbraw/zinc/57/59/16/596575916.db2.gz HFVXVZKJDYBSTO-VHSXEESVSA-N -2 3 349.840 1.694 20 0 EDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000871995008 596785469 /nfs/dbraw/zinc/78/54/69/596785469.db2.gz GHZXLYMZLXAWJY-FRRDWIJNSA-N -2 3 337.328 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/nfs/dbraw/zinc/10/36/40/448103640.db2.gz ANWSAWOAJDHFJK-UHFFFAOYSA-N -2 3 346.368 1.709 20 0 EDADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000526118741 448103643 /nfs/dbraw/zinc/10/36/43/448103643.db2.gz ANWSAWOAJDHFJK-UHFFFAOYSA-N -2 3 346.368 1.709 20 0 EDADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000526118741 448103645 /nfs/dbraw/zinc/10/36/45/448103645.db2.gz ANWSAWOAJDHFJK-UHFFFAOYSA-N -2 3 346.368 1.709 20 0 EDADHL Cc1cc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)on1 ZINC000505825794 448128099 /nfs/dbraw/zinc/12/80/99/448128099.db2.gz KPOGRXFUJXHDFQ-UHFFFAOYSA-N -2 3 328.321 1.341 20 0 EDADHL Cc1cc(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)on1 ZINC000505820639 448128186 /nfs/dbraw/zinc/12/81/86/448128186.db2.gz LNAKNAKSTQHKLS-UHFFFAOYSA-N -2 3 342.348 1.650 20 0 EDADHL COC[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1ccc(C)o1 ZINC000576940390 448175451 /nfs/dbraw/zinc/17/54/51/448175451.db2.gz NKBHDPMPKCAKQF-LBPRGKRZSA-N -2 3 339.369 1.952 20 0 EDADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(F)c1 ZINC000572103089 448285638 /nfs/dbraw/zinc/28/56/38/448285638.db2.gz VIYBKNKWXONSHO-SECBINFHSA-N -2 3 348.421 1.276 20 0 EDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000515643369 448337299 /nfs/dbraw/zinc/33/72/99/448337299.db2.gz PHZWDKHFKWWBGA-CHWSQXEVSA-N -2 3 349.412 1.798 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)cn1C ZINC000518110678 448645500 /nfs/dbraw/zinc/64/55/00/448645500.db2.gz QLXSUWCKIVPPHC-JTQLQIEISA-N -2 3 331.438 1.711 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])cn1C ZINC000574016479 448768701 /nfs/dbraw/zinc/76/87/01/448768701.db2.gz YLZSEKCYCZVBBO-NSHDSACASA-N -2 3 341.389 1.111 20 0 EDADHL COCC1(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)[O-])CC1 ZINC000518986773 448729765 /nfs/dbraw/zinc/72/97/65/448729765.db2.gz XIDPMWZHDSFNCC-UHFFFAOYSA-N -2 3 345.373 1.323 20 0 EDADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]CC(F)F)cc1F ZINC000519607974 448798626 /nfs/dbraw/zinc/79/86/26/448798626.db2.gz QOGJYLLEZVLUJG-UHFFFAOYSA-N -2 3 341.307 1.613 20 0 EDADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000547940698 448952455 /nfs/dbraw/zinc/95/24/55/448952455.db2.gz WIJPPFNNVKLHQD-CMPLNLGQSA-N -2 3 337.344 1.166 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000521231474 448966189 /nfs/dbraw/zinc/96/61/89/448966189.db2.gz NZXNWWJJYPRLQD-UHFFFAOYSA-N -2 3 331.415 1.922 20 0 EDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000521430970 448985224 /nfs/dbraw/zinc/98/52/24/448985224.db2.gz AZLNSTPVWBQDBB-IUCAKERBSA-N -2 3 332.403 1.077 20 0 EDADHL CO[C@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547885609 448944163 /nfs/dbraw/zinc/94/41/63/448944163.db2.gz UMUVEXMGBRSSIV-LLVKDONJSA-N -2 3 347.776 1.773 20 0 EDADHL C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)[C@H](C)C(=O)[O-] ZINC000569443855 449026109 /nfs/dbraw/zinc/02/61/09/449026109.db2.gz WIUUAFYWBNLBRQ-NKWVEPMBSA-N -2 3 326.296 1.488 20 0 EDADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c(C)o1 ZINC000548592502 449062541 /nfs/dbraw/zinc/06/25/41/449062541.db2.gz NGIHKKUKSLAYER-QMMMGPOBSA-N -2 3 333.362 1.154 20 0 EDADHL CSC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCOCC1 ZINC000596089820 449357065 /nfs/dbraw/zinc/35/70/65/449357065.db2.gz XILCLMJCAFGBLR-UHFFFAOYSA-N -2 3 349.430 1.477 20 0 EDADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC)C1CC1 ZINC000600651315 449472491 /nfs/dbraw/zinc/47/24/91/449472491.db2.gz HAWHXRXGOZMXES-AWEZNQCLSA-N -2 3 343.401 1.736 20 0 EDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2s[n-]c(=O)c2Cl)n1 ZINC000622739610 450296169 /nfs/dbraw/zinc/29/61/69/450296169.db2.gz RIIWLTUFSYVTLU-UHFFFAOYSA-N -2 3 328.781 1.971 20 0 EDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c(F)c1F ZINC000629293477 451647454 /nfs/dbraw/zinc/64/74/54/451647454.db2.gz KFZSSWMCVPFZFY-NXEZZACHSA-N -2 3 349.355 1.431 20 0 EDADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c(F)c1F ZINC000629305542 451659364 /nfs/dbraw/zinc/65/93/64/451659364.db2.gz ZPLHIGRRZJOBJI-UHFFFAOYSA-N -2 3 335.328 1.185 20 0 EDADHL CS(=O)(=O)[N-]c1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000655593408 452415039 /nfs/dbraw/zinc/41/50/39/452415039.db2.gz AKTVFHWFVYZXKT-UHFFFAOYSA-N -2 3 326.374 1.137 20 0 EDADHL COC1(CS(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])CCOCC1 ZINC000650180438 452577509 /nfs/dbraw/zinc/57/75/09/452577509.db2.gz UWAKZHXYNSLMKG-UHFFFAOYSA-N -2 3 343.401 1.631 20 0 EDADHL Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000650441385 452773160 /nfs/dbraw/zinc/77/31/60/452773160.db2.gz QPUQUZJMYLIMHZ-WDEREUQCSA-N -2 3 338.410 1.984 20 0 EDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)COCC1CC1 ZINC000650447477 452777424 /nfs/dbraw/zinc/77/74/24/452777424.db2.gz HWORWEUZWFUMOB-QMMMGPOBSA-N -2 3 349.430 1.548 20 0 EDADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-])C1CC1 ZINC000656168199 452923748 /nfs/dbraw/zinc/92/37/48/452923748.db2.gz OLCITYRZUWCHSC-QWRGUYRKSA-N -2 3 333.431 1.603 20 0 EDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1COc2ccccc21 ZINC000645993545 452984960 /nfs/dbraw/zinc/98/49/60/452984960.db2.gz MEKZAVRHZVBSQB-SKDRFNHKSA-N -2 3 337.353 1.821 20 0 EDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)cc1C(=O)[O-] ZINC000645992550 452985301 /nfs/dbraw/zinc/98/53/01/452985301.db2.gz VQVHMIIPIAHGNZ-MVWJERBFSA-N -2 3 329.374 1.522 20 0 EDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCc2ccccc21 ZINC000646012245 453009555 /nfs/dbraw/zinc/00/95/55/453009555.db2.gz JRGPGWIMWNLQGH-OAHLLOKOSA-N -2 3 336.369 1.496 20 0 EDADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-])[C@H]1CCOC1 ZINC000656617014 453325471 /nfs/dbraw/zinc/32/54/71/453325471.db2.gz XZIKAPYXCLNXEQ-ZANVPECISA-N -2 3 347.364 1.317 20 0 EDADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])cn21 ZINC000656725883 453411918 /nfs/dbraw/zinc/41/19/18/453411918.db2.gz WDZNUPJDKDBHIV-RNCFNFMXSA-N -2 3 333.385 1.262 20 0 EDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000663082708 453675054 /nfs/dbraw/zinc/67/50/54/453675054.db2.gz XBJQYRUEDSFQNI-DLBZAZTESA-N -2 3 345.355 1.181 20 0 EDADHL CCc1nc(S(=O)(=O)[N-]C[C@@H](CC)CC(=O)[O-])cn1CC1CC1 ZINC000663286677 453755015 /nfs/dbraw/zinc/75/50/15/453755015.db2.gz SNWCKWTXRWMUCQ-NSHDSACASA-N -2 3 343.449 1.635 20 0 EDADHL CCc1nc(S(=O)(=O)[N-]C[C@H](CC)CC(=O)[O-])cn1CC1CC1 ZINC000663286676 453755067 /nfs/dbraw/zinc/75/50/67/453755067.db2.gz SNWCKWTXRWMUCQ-LLVKDONJSA-N -2 3 343.449 1.635 20 0 EDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)oc1C(=O)[O-] ZINC000663422548 453793890 /nfs/dbraw/zinc/79/38/90/453793890.db2.gz KRUVSUAZZFIYDD-VIFPVBQESA-N -2 3 331.390 1.911 20 0 EDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1cc(F)ccc1F ZINC000681567201 487090202 /nfs/dbraw/zinc/09/02/02/487090202.db2.gz UPWIMQCBBKFICI-LBPRGKRZSA-N -2 3 346.286 1.603 20 0 EDADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000131853705 534418847 /nfs/dbraw/zinc/41/88/47/534418847.db2.gz ZZSNONKZSJFKOZ-MRVPVSSYSA-N -2 3 335.403 1.456 20 0 EDADHL COc1ccc([O-])c(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)[O-])CC2)c1 ZINC000263096202 536816959 /nfs/dbraw/zinc/81/69/59/536816959.db2.gz FBFVLRIDILZBAY-CJNGLKHVSA-N -2 3 349.383 1.743 20 0 EDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])CC(C)C ZINC000740265485 579324472 /nfs/dbraw/zinc/32/44/72/579324472.db2.gz QDNCJGQEWKBSLQ-ZDUSSCGKSA-N -2 3 333.410 1.642 20 0 EDADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000740505847 579354687 /nfs/dbraw/zinc/35/46/87/579354687.db2.gz FHUGCXMXCJTABB-MRVPVSSYSA-N -2 3 338.307 1.736 20 0 EDADHL C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736775826 579019349 /nfs/dbraw/zinc/01/93/49/579019349.db2.gz SFYWYQPAVOXGGT-QWRGUYRKSA-N -2 3 330.406 1.519 20 0 EDADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)sc1C ZINC000737483286 579096936 /nfs/dbraw/zinc/09/69/36/579096936.db2.gz TVGNCHFLOLTXQR-UHFFFAOYSA-N -2 3 336.402 1.741 20 0 EDADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)sc1C ZINC000737483286 579096937 /nfs/dbraw/zinc/09/69/37/579096937.db2.gz TVGNCHFLOLTXQR-UHFFFAOYSA-N -2 3 336.402 1.741 20 0 EDADHL CCCCCC[C@@](C)([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000737816210 579130869 /nfs/dbraw/zinc/13/08/69/579130869.db2.gz JOGZOMMXGKGBTF-CQSZACIVSA-N -2 3 331.438 1.821 20 0 EDADHL COc1ccccc1-c1nc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)n[n-]1 ZINC000738115055 579161226 /nfs/dbraw/zinc/16/12/26/579161226.db2.gz HMSKPTMZBWZKBC-NSHDSACASA-N -2 3 333.348 1.711 20 0 EDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738318270 579185766 /nfs/dbraw/zinc/18/57/66/579185766.db2.gz PMMYROVOGHFTMF-SECBINFHSA-N -2 3 343.796 1.441 20 0 EDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738318270 579185767 /nfs/dbraw/zinc/18/57/67/579185767.db2.gz PMMYROVOGHFTMF-SECBINFHSA-N -2 3 343.796 1.441 20 0 EDADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)[O-])C3)nc2)n1 ZINC000739535837 579216173 /nfs/dbraw/zinc/21/61/73/579216173.db2.gz IRJBOMZPHKJJPG-GFCCVEGCSA-N -2 3 329.360 1.653 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CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000776583649 580422235 /nfs/dbraw/zinc/42/22/35/580422235.db2.gz KGMWKEFJWCQCRL-RYUDHWBXSA-N -2 3 343.449 1.777 20 0 EDADHL CCCCC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000776662565 580425692 /nfs/dbraw/zinc/42/56/92/580425692.db2.gz YCNGSWXOGKKCJT-CYBMUJFWSA-N -2 3 342.417 1.821 20 0 EDADHL COc1nc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc(=O)[n-]1 ZINC000784771580 580628743 /nfs/dbraw/zinc/62/87/43/580628743.db2.gz PGMUMQZQIRNSBZ-UHFFFAOYSA-N -2 3 344.283 1.303 20 0 EDADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000788448830 580721568 /nfs/dbraw/zinc/72/15/68/580721568.db2.gz SNTOYONCXGBNLV-OWOJBTEDSA-N -2 3 338.154 1.507 20 0 EDADHL C[C@@H](CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000790616884 580773938 /nfs/dbraw/zinc/77/39/38/580773938.db2.gz PTMGZNAXLKSDSC-ZETCQYMHSA-N -2 3 326.296 1.490 20 0 EDADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)[N-]OC/C=C/Cl ZINC000794304184 580885782 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COc1ccc(Cl)cc1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1 ZINC000903043296 592106177 /nfs/dbraw/zinc/10/61/77/592106177.db2.gz UZGCIXVRGNTHIR-UHFFFAOYSA-N -2 3 333.793 1.880 20 0 EDADHL Cc1cncc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000903707402 592279804 /nfs/dbraw/zinc/27/98/04/592279804.db2.gz WKCOVYZRCKEAON-VXGBXAGGSA-N -2 3 345.321 1.486 20 0 EDADHL CN(C)C1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2F)CCC1 ZINC000905201567 592463057 /nfs/dbraw/zinc/46/30/57/592463057.db2.gz DXVRWRUVTTWDKC-UHFFFAOYSA-N -2 3 330.381 1.287 20 0 EDADHL CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2F)CCO1 ZINC000905209099 592466272 /nfs/dbraw/zinc/46/62/72/592466272.db2.gz HMRJKHTTYACZLR-VHSXEESVSA-N -2 3 331.365 1.760 20 0 EDADHL CCCN1CC[C@@H]([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2F)C1 ZINC000907042412 592476926 /nfs/dbraw/zinc/47/69/26/592476926.db2.gz MVJWSNPWOVUREC-SNVBAGLBSA-N -2 3 330.381 1.287 20 0 EDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000907027760 592485939 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O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000910237498 592805465 /nfs/dbraw/zinc/80/54/65/592805465.db2.gz UMQLWXBTVAOXJY-AAEUAGOBSA-N -2 3 325.336 1.460 20 0 EDADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000910237499 592805774 /nfs/dbraw/zinc/80/57/74/592805774.db2.gz UMQLWXBTVAOXJY-DGCLKSJQSA-N -2 3 325.336 1.460 20 0 EDADHL C[S@](=O)C1(C(=O)[O-])CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000909824369 592840841 /nfs/dbraw/zinc/84/08/41/592840841.db2.gz PUTFEUADOUNDJB-QFIPXVFZSA-N -2 3 345.804 1.484 20 0 EDADHL C[C@@H](NC(=O)Cc1cncc([O-])c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909816886 592848400 /nfs/dbraw/zinc/84/84/00/592848400.db2.gz BKUJRPZHBINVKO-WBMJQRKESA-N -2 3 328.368 1.778 20 0 EDADHL CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736417561 593006515 /nfs/dbraw/zinc/00/65/15/593006515.db2.gz VZOIKXBBACYBNO-LBPRGKRZSA-N -2 3 332.364 1.165 20 0 EDADHL CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736417561 593006517 /nfs/dbraw/zinc/00/65/17/593006517.db2.gz VZOIKXBBACYBNO-LBPRGKRZSA-N -2 3 332.364 1.165 20 0 EDADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)cnn1C(C)C ZINC000838911758 593231479 /nfs/dbraw/zinc/23/14/79/593231479.db2.gz DKFWUNOMZZJNLY-UHFFFAOYSA-N -2 3 348.388 1.162 20 0 EDADHL O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1nc[n-]n1)C(F)(F)F ZINC000817675928 593622578 /nfs/dbraw/zinc/62/25/78/593622578.db2.gz ZNVOPSGKBPKREG-SECBINFHSA-N -2 3 339.277 1.055 20 0 EDADHL CC(C)CC[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820076340 593788855 /nfs/dbraw/zinc/78/88/55/593788855.db2.gz HNULWDXGXKNESS-UHFFFAOYSA-N -2 3 331.348 1.469 20 0 EDADHL CC(C)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820076340 593788856 /nfs/dbraw/zinc/78/88/56/593788856.db2.gz HNULWDXGXKNESS-UHFFFAOYSA-N -2 3 331.348 1.469 20 0 EDADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000820533820 593826715 /nfs/dbraw/zinc/82/67/15/593826715.db2.gz GZJSEXUTYIOSGF-JTQLQIEISA-N -2 3 345.359 1.100 20 0 EDADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCC(=O)[O-])C1CC1 ZINC000820533820 593826716 /nfs/dbraw/zinc/82/67/16/593826716.db2.gz GZJSEXUTYIOSGF-JTQLQIEISA-N -2 3 345.359 1.100 20 0 EDADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)c1ccc2c(c1)CCC2 ZINC000821589084 593871837 /nfs/dbraw/zinc/87/18/37/593871837.db2.gz WLYNXNANNAOMMW-UHFFFAOYSA-N -2 3 342.380 1.565 20 0 EDADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820944926 593926059 /nfs/dbraw/zinc/92/60/59/593926059.db2.gz PXKOGTRRKNKDGY-UHFFFAOYSA-N -2 3 349.416 1.393 20 0 EDADHL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820944926 593926061 /nfs/dbraw/zinc/92/60/61/593926061.db2.gz PXKOGTRRKNKDGY-UHFFFAOYSA-N -2 3 349.416 1.393 20 0 EDADHL C[S@](=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2[O-])cc1 ZINC000821941116 593969640 /nfs/dbraw/zinc/96/96/40/593969640.db2.gz CAHWGARPWKAJOB-DEOSSOPVSA-N -2 3 343.368 1.562 20 0 EDADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822258796 594019142 /nfs/dbraw/zinc/01/91/42/594019142.db2.gz CZXXDPIKXZPIRQ-UHFFFAOYSA-N -2 3 331.357 1.682 20 0 EDADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822258796 594019143 /nfs/dbraw/zinc/01/91/43/594019143.db2.gz CZXXDPIKXZPIRQ-UHFFFAOYSA-N -2 3 331.357 1.682 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)c[nH]1 ZINC000824486990 594022871 /nfs/dbraw/zinc/02/28/71/594022871.db2.gz GCMRGSVUPLVIHC-GHMZBOCLSA-N -2 3 344.437 1.590 20 0 EDADHL CC(C)c1nc(S(=O)(=O)[N-]CC2CCN(C(=O)[O-])CC2)c[nH]1 ZINC000824489060 594023901 /nfs/dbraw/zinc/02/39/01/594023901.db2.gz VURAMIFYSHKGGS-UHFFFAOYSA-N -2 3 330.410 1.201 20 0 EDADHL Cc1nn(C)c(C)c1CCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000822491865 594056688 /nfs/dbraw/zinc/05/66/88/594056688.db2.gz HPPNRIZWKYADDW-UHFFFAOYSA-N -2 3 341.375 1.494 20 0 EDADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000824727925 594062868 /nfs/dbraw/zinc/06/28/68/594062868.db2.gz CTJSJSIPQOHCED-ZWNOBZJWSA-N -2 3 345.359 1.100 20 0 EDADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000824727925 594062870 /nfs/dbraw/zinc/06/28/70/594062870.db2.gz CTJSJSIPQOHCED-ZWNOBZJWSA-N -2 3 345.359 1.100 20 0 EDADHL O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822950607 594127293 /nfs/dbraw/zinc/12/72/93/594127293.db2.gz VABWOFNJOYBUEP-UHFFFAOYSA-N -2 3 335.389 1.252 20 0 EDADHL O=C(CCC1CCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822950607 594127294 /nfs/dbraw/zinc/12/72/94/594127294.db2.gz VABWOFNJOYBUEP-UHFFFAOYSA-N -2 3 335.389 1.252 20 0 EDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000829641525 594230670 /nfs/dbraw/zinc/23/06/70/594230670.db2.gz GMLPTGAGGYHXQM-RTXFEEFZSA-N -2 3 343.376 1.760 20 0 EDADHL CC(=O)N1CCC(COC(=O)c2ccc(NC(=O)[O-])c([O-])c2)CC1 ZINC000825829066 594257243 /nfs/dbraw/zinc/25/72/43/594257243.db2.gz WHIXFFJWORVMPB-UHFFFAOYSA-N -2 3 336.344 1.897 20 0 EDADHL C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000825832844 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