smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCC1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000909440429 981493528 /nfs/dbraw/zinc/49/35/28/981493528.db2.gz SUQFUSKVYAJMJG-UHFFFAOYSA-N -2 3 327.380 3.262 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)c1 ZINC001597556904 988292214 /nfs/dbraw/zinc/29/22/14/988292214.db2.gz ZHNBWJSCXVHLAJ-UHFFFAOYSA-N -2 3 334.397 3.026 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C(=O)[O-])c1 ZINC001599598647 993782565 /nfs/dbraw/zinc/78/25/65/993782565.db2.gz MSFGRPFOYFLJGP-UHFFFAOYSA-N -2 3 347.392 3.072 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1C ZINC001599392565 997064724 /nfs/dbraw/zinc/06/47/24/997064724.db2.gz WSVMJZYIWNIPAB-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1C ZINC000056700618 214384875 /nfs/dbraw/zinc/38/48/75/214384875.db2.gz PXPBZBGQJRQJFB-POHAHGRESA-N -2 3 331.393 3.202 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n[n-]2)o1 ZINC000353474330 141304796 /nfs/dbraw/zinc/30/47/96/141304796.db2.gz IGARZGYRXJGKLN-UHFFFAOYSA-N -2 3 340.236 3.182 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Cl ZINC000318614848 154160147 /nfs/dbraw/zinc/16/01/47/154160147.db2.gz XLZGCIDNFQOEOE-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1Cl ZINC000231656822 266206220 /nfs/dbraw/zinc/20/62/20/266206220.db2.gz WKFKGAXPFKEHRS-UHFFFAOYSA-N -2 3 346.191 3.492 20 0 EGADHL C[C@@H](Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC000414074031 309059304 /nfs/dbraw/zinc/05/93/04/309059304.db2.gz MMZAFNYTFGQISZ-IGVIJBNESA-N -2 3 326.352 3.082 20 0 EGADHL O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000436787517 309774028 /nfs/dbraw/zinc/77/40/28/309774028.db2.gz WMKSJURREQYYTG-UHFFFAOYSA-N -2 3 329.743 3.189 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1C(=O)[O-] ZINC000484795946 310970562 /nfs/dbraw/zinc/97/05/62/310970562.db2.gz JZRNCBKDBOBWKE-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cs1 ZINC000070156468 454167255 /nfs/dbraw/zinc/16/72/55/454167255.db2.gz ONSVBEKSDKCBKN-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000582399296 325437965 /nfs/dbraw/zinc/43/79/65/325437965.db2.gz OJAHERKUUNBJOT-CYBMUJFWSA-N -2 3 345.436 3.084 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000045946767 454199572 /nfs/dbraw/zinc/19/95/72/454199572.db2.gz FJYKZTJKPVFHBX-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000071415441 454206647 /nfs/dbraw/zinc/20/66/47/454206647.db2.gz NJYAXJOASZHFON-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])ccc1F ZINC000090164067 454287540 /nfs/dbraw/zinc/28/75/40/454287540.db2.gz RXSBZYJQUNLWNI-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000047454266 454373922 /nfs/dbraw/zinc/37/39/22/454373922.db2.gz UDQGQNOMLCMPPR-UHFFFAOYSA-N -2 3 349.408 3.220 20 0 EGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000182863691 455180131 /nfs/dbraw/zinc/18/01/31/455180131.db2.gz DECKBHCXFPFYPN-UHFFFAOYSA-N -2 3 329.743 3.189 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1Cl ZINC000530668172 458808858 /nfs/dbraw/zinc/80/88/58/458808858.db2.gz ZANONJMTGZHVQS-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548268803 458856588 /nfs/dbraw/zinc/85/65/88/458856588.db2.gz XHXZWORVZBGUKX-QMMMGPOBSA-N -2 3 347.845 3.086 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000531194277 458886648 /nfs/dbraw/zinc/88/66/48/458886648.db2.gz BBZZYXHHGWVGJD-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000562477410 459569491 /nfs/dbraw/zinc/56/94/91/459569491.db2.gz LMGDLSKXFLOBKA-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL CCN=c1[n-]nc(SCc2ccc([O-])c3nc(C)ccc23)s1 ZINC000574109244 459779587 /nfs/dbraw/zinc/77/95/87/459779587.db2.gz AAMKHLNBBPVHBX-UHFFFAOYSA-N -2 3 332.454 3.246 20 0 EGADHL O=C(N=c1[n-]nc(-c2ccccc2)s1)c1cc2ccsc2[n-]1 ZINC000618347902 459976975 /nfs/dbraw/zinc/97/69/75/459976975.db2.gz QVMCSCBZZYPTPU-UHFFFAOYSA-N -2 3 326.406 3.422 20 0 EGADHL COc1ccccc1-c1cc(=NC(=O)c2ccc(Cl)cc2[O-])[nH][n-]1 ZINC000621653546 459996982 /nfs/dbraw/zinc/99/69/82/459996982.db2.gz SPONSNDNLXZQOA-UHFFFAOYSA-N -2 3 343.770 3.119 20 0 EGADHL C[C@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)c2c([O-])cccc21 ZINC000663049438 461436826 /nfs/dbraw/zinc/43/68/26/461436826.db2.gz PYYDAOGCOFINEU-LBPRGKRZSA-N -2 3 341.363 3.010 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000342972149 535402126 /nfs/dbraw/zinc/40/21/26/535402126.db2.gz OKHFPHABCBRGLF-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c2ccccc12 ZINC000131517327 546805508 /nfs/dbraw/zinc/80/55/08/546805508.db2.gz NMIWDAOXMCTMOO-UHFFFAOYSA-N -2 3 347.367 3.494 20 0 EGADHL CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736983671 576070363 /nfs/dbraw/zinc/07/03/63/576070363.db2.gz BPXRHALCKUUXGI-ZYHUDNBSSA-N -2 3 331.459 3.084 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000737268177 576195628 /nfs/dbraw/zinc/19/56/28/576195628.db2.gz VIPXNPTUOWFJSQ-UHFFFAOYSA-N -2 3 328.368 3.317 20 0 EGADHL Cc1ccc([O-])c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738635878 576344314 /nfs/dbraw/zinc/34/43/14/576344314.db2.gz HEVIYDQKSUDRJT-UHFFFAOYSA-N -2 3 329.352 3.197 20 0 EGADHL Cc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1[O-] ZINC000738691485 576351766 /nfs/dbraw/zinc/35/17/66/576351766.db2.gz AVBGYAYFVBMPGW-UHFFFAOYSA-N -2 3 329.352 3.197 20 0 EGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3occc3s2)s1 ZINC000739712374 576500222 /nfs/dbraw/zinc/50/02/22/576500222.db2.gz SAWXKTXCHSMBKX-UHFFFAOYSA-N -2 3 337.382 3.005 20 0 EGADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000740071936 576542801 /nfs/dbraw/zinc/54/28/01/576542801.db2.gz JCQXZMBHXXIDQO-UHFFFAOYSA-N -2 3 331.715 3.274 20 0 EGADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000740071936 576542803 /nfs/dbraw/zinc/54/28/03/576542803.db2.gz JCQXZMBHXXIDQO-UHFFFAOYSA-N -2 3 331.715 3.274 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1F ZINC000320572627 601330159 /nfs/dbraw/zinc/33/01/59/601330159.db2.gz WDBGXQZVTYAASF-WTKPLQERSA-N -2 3 335.356 3.033 20 0 EGADHL CC(=O)c1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)cc1F ZINC000833401129 605783389 /nfs/dbraw/zinc/78/33/89/605783389.db2.gz RAJGTGDEWUVZPI-UHFFFAOYSA-N -2 3 326.283 3.042 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(F)cc2n[n-]nc21 ZINC000764651912 1302110307 /nfs/dbraw/zinc/11/03/07/1302110307.db2.gz XXBDOGQKEPUVAJ-UHFFFAOYSA-N -2 3 341.129 3.362 20 0 EGADHL Cc1ccc(C(=O)N2CCC[C@@]2(Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000910104146 1318566591 /nfs/dbraw/zinc/56/65/91/1318566591.db2.gz UVHIIWCBCRZOES-HXUWFJFHSA-N -2 3 339.391 3.003 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)c(C)c2)cc1C(=O)[O-] ZINC001184696940 1387512056 /nfs/dbraw/zinc/51/20/56/1387512056.db2.gz LVFJXUCLWYNDJB-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2C2CC2)cc1C(=O)[O-] ZINC001185260707 1387661673 /nfs/dbraw/zinc/66/16/73/1387661673.db2.gz VJZHNOFATOKBNZ-UHFFFAOYSA-N -2 3 347.392 3.072 20 0 EGADHL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2ccsc2)c1Cl ZINC001185350933 1387690736 /nfs/dbraw/zinc/69/07/36/1387690736.db2.gz NGMMUBBZSHKMNA-UHFFFAOYSA-N -2 3 343.188 3.095 20 0 EGADHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1c([O-])cccc1Cl ZINC001189827427 1367116010 /nfs/dbraw/zinc/11/60/10/1367116010.db2.gz PFTHTPFWHKUXKA-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)c(F)c1[O-] ZINC001192806962 1367879699 /nfs/dbraw/zinc/87/96/99/1367879699.db2.gz NZGQRTQZJAGKBF-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C(C)C ZINC001198783012 1369113294 /nfs/dbraw/zinc/11/32/94/1369113294.db2.gz RUJNNWASGKQOQR-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL Cc1c(Cl)cc(NC(=O)c2ccc([O-])c(=O)[nH]2)c([O-])c1Cl ZINC001199199588 1369189693 /nfs/dbraw/zinc/18/96/93/1369189693.db2.gz YMPWOOPXBZFXHI-UHFFFAOYSA-N -2 3 329.139 3.066 20 0 EGADHL O=S(=O)([O-])c1ccc(Cl)c(Nc2c(F)ccc([O-])c2F)c1 ZINC001175270338 1385236087 /nfs/dbraw/zinc/23/60/87/1385236087.db2.gz XVOGFRVQTRELKQ-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL Cc1ccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c([O-])c1 ZINC000902821684 956811381 /nfs/dbraw/zinc/81/13/81/956811381.db2.gz KKZNGIFKXWZIRD-CQSZACIVSA-N -2 3 339.391 3.385 20 0 EGADHL O=C([O-])CCCc1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000319660594 970558887 /nfs/dbraw/zinc/55/88/87/970558887.db2.gz QOBRXLDNHMRWDD-UHFFFAOYSA-N -2 3 340.788 3.162 20 0 EGADHL CC[C@@](CNC(=O)c1cc([O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595158707 979670030 /nfs/dbraw/zinc/67/00/30/979670030.db2.gz CMNQIGRNNQCKJP-SFHVURJKSA-N -2 3 347.798 3.208 20 0 EGADHL O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccccc21 ZINC000909577487 981546845 /nfs/dbraw/zinc/54/68/45/981546845.db2.gz KADLHVLONZDGQN-MRXNPFEDSA-N -2 3 337.375 3.100 20 0 EGADHL CCCCC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001595661104 982074222 /nfs/dbraw/zinc/07/42/22/982074222.db2.gz PIHNYACSOVZBFT-UHFFFAOYSA-N -2 3 343.445 3.253 20 0 EGADHL CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1[O-] ZINC001589277117 985991326 /nfs/dbraw/zinc/99/13/26/985991326.db2.gz CPQFQMYDMDCKLU-UHFFFAOYSA-N -2 3 327.336 3.162 20 0 EGADHL CC(C)(C)CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001589771689 988122828 /nfs/dbraw/zinc/12/28/28/988122828.db2.gz BIZMJFKDMSEKFV-UHFFFAOYSA-N -2 3 349.399 3.158 20 0 EGADHL CC(C)CC[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(C)(C)C ZINC001591221698 992089045 /nfs/dbraw/zinc/08/90/45/992089045.db2.gz MVFONQFZPDRGSV-GFCCVEGCSA-N -2 3 331.434 3.107 20 0 EGADHL C[C@@](NC(=O)c1cc([O-])c2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC001593156954 993981175 /nfs/dbraw/zinc/98/11/75/993981175.db2.gz YNCUQQRTCSLKQP-FQEVSTJZSA-N -2 3 335.359 3.275 20 0 EGADHL C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594236636 998902038 /nfs/dbraw/zinc/90/20/38/998902038.db2.gz RSRKXFMMSOLWOG-RYUDHWBXSA-N -2 3 343.445 3.109 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000076081903 202386854 /nfs/dbraw/zinc/38/68/54/202386854.db2.gz KNVRVHWXFJYHSD-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1nc(C=Cc2cc3cc(F)ccc3o2)[n-]c(=O)c1CC(=O)[O-] ZINC000349108626 156355519 /nfs/dbraw/zinc/35/55/19/156355519.db2.gz LWMZQZBGDWURPR-HWKANZROSA-N -2 3 328.299 3.173 20 0 EGADHL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc([O-])ccc3Cl)c2C)o1 ZINC000355185190 166126798 /nfs/dbraw/zinc/12/67/98/166126798.db2.gz UVVNTQQJFQUQDZ-UHFFFAOYSA-N -2 3 331.759 3.320 20 0 EGADHL O=C(Nc1ccc([O-])cc1F)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194466700 266119335 /nfs/dbraw/zinc/11/93/35/266119335.db2.gz VTJBMMNKHMPPKV-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL COc1cc(C)cc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1[O-] ZINC000436833154 309776791 /nfs/dbraw/zinc/77/67/91/309776791.db2.gz JCLGQMSAFMNBTD-UHFFFAOYSA-N -2 3 343.408 3.143 20 0 EGADHL Cc1ccc(-c2cc(=NC(=O)CCCc3ccc([O-])c(F)c3)[nH][n-]2)o1 ZINC000447803589 309989086 /nfs/dbraw/zinc/98/90/86/309989086.db2.gz TWSQKVHBWLZMGV-UHFFFAOYSA-N -2 3 343.358 3.206 20 0 EGADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000178121117 323350945 /nfs/dbraw/zinc/35/09/45/323350945.db2.gz DVBOYIZNQAIIML-UHFFFAOYSA-N -2 3 345.726 3.041 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1Cl ZINC000577152609 324751092 /nfs/dbraw/zinc/75/10/92/324751092.db2.gz IPXFDNGPXXDEKY-UHFFFAOYSA-N -2 3 339.800 3.076 20 0 EGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000031665817 453851548 /nfs/dbraw/zinc/85/15/48/453851548.db2.gz RSZJVPGHVQOOLG-UHFFFAOYSA-N -2 3 349.408 3.323 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)[O-] ZINC000047949081 454423141 /nfs/dbraw/zinc/42/31/41/454423141.db2.gz RTHKITKTOCNESZ-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000121823598 454481182 /nfs/dbraw/zinc/48/11/82/454481182.db2.gz GCJXUSGNFVIJRW-UHFFFAOYSA-N -2 3 345.305 3.122 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000152933309 454743557 /nfs/dbraw/zinc/74/35/57/454743557.db2.gz VJKXGRKARDUMRF-UHFFFAOYSA-N -2 3 345.420 3.237 20 0 EGADHL O=C([O-])c1cccc(NN=Cc2cc(Br)ccc2[O-])c1 ZINC000252475166 455806354 /nfs/dbraw/zinc/80/63/54/455806354.db2.gz VCIJRXOBKDDVBZ-UHFFFAOYSA-N -2 3 335.157 3.299 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000324969350 456676203 /nfs/dbraw/zinc/67/62/03/456676203.db2.gz ZRWWTIHCCWALLE-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL Cc1nc(C=Cc2ccccc2OC(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000347412484 457410596 /nfs/dbraw/zinc/41/05/96/457410596.db2.gz BTUZODZKNDZMDT-HJWRWDBZSA-N -2 3 328.368 3.075 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000390271017 457437425 /nfs/dbraw/zinc/43/74/25/457437425.db2.gz AUHLOYRGTHFCHZ-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL CC(C)c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c([O-])c1 ZINC000436539799 458327234 /nfs/dbraw/zinc/32/72/34/458327234.db2.gz ZSJNGKRODLIBJT-UHFFFAOYSA-N -2 3 339.351 3.111 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(F)cc1 ZINC000740290979 576574735 /nfs/dbraw/zinc/57/47/35/576574735.db2.gz KSLUAWVOJBNJEP-JTQLQIEISA-N -2 3 332.114 3.443 20 0 EGADHL COc1cccc2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)oc21 ZINC000794711822 1309580674 /nfs/dbraw/zinc/58/06/74/1309580674.db2.gz FDLDKRDRHHXZGX-VOTSOKGWSA-N -2 3 340.335 3.043 20 0 EGADHL CCC[C@@]1(C(=O)[O-])CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000910118940 1318572665 /nfs/dbraw/zinc/57/26/65/1318572665.db2.gz SULFIXKPTAFSSW-SFHVURJKSA-N -2 3 337.391 3.100 20 0 EGADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001191186472 1367441388 /nfs/dbraw/zinc/44/13/88/1367441388.db2.gz ZPNGMZHAQYSCBZ-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001191821556 1367601416 /nfs/dbraw/zinc/60/14/16/1367601416.db2.gz LCRMXIZKFWRVCS-UHFFFAOYSA-N -2 3 325.361 3.039 20 0 EGADHL O=C([O-])c1cccc(Nc2ncc(Br)cc2[O-])c1F ZINC001210238819 1372302027 /nfs/dbraw/zinc/30/20/27/1372302027.db2.gz KGAAGLVXSBHIRI-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212013860 1372646997 /nfs/dbraw/zinc/64/69/97/1372646997.db2.gz MYDMMMGWYYJYEN-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ncc(C(F)(F)F)[n-]1 ZINC001188288881 1388284038 /nfs/dbraw/zinc/28/40/38/1388284038.db2.gz OKYNBHRIFDYTJR-UHFFFAOYSA-N -2 3 339.195 3.405 20 0 EGADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1nc(C(F)(F)F)c[n-]1 ZINC001188288881 1388284041 /nfs/dbraw/zinc/28/40/41/1388284041.db2.gz OKYNBHRIFDYTJR-UHFFFAOYSA-N -2 3 339.195 3.405 20 0 EGADHL O=P([O-])([O-])CCCCO[C@@H]1CCc2c1cccc2Br ZINC001225018911 1375089049 /nfs/dbraw/zinc/08/90/49/1375089049.db2.gz LKTXZHBRXXERSM-CYBMUJFWSA-N -2 3 349.161 3.411 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cccc(Cl)c1Cl ZINC001189237298 1388491341 /nfs/dbraw/zinc/49/13/41/1388491341.db2.gz YZOCGNPUYSCUPB-UHFFFAOYSA-N -2 3 341.131 3.073 20 0 EGADHL CCc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1C ZINC000392192577 972425272 /nfs/dbraw/zinc/42/52/72/972425272.db2.gz BKVCINXQEGAMNV-YRNVUSSQSA-N -2 3 345.420 3.456 20 0 EGADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001603292391 972553005 /nfs/dbraw/zinc/55/30/05/972553005.db2.gz AOPFPUXQBZDNEK-LJQANCHMSA-N -2 3 341.363 3.264 20 0 EGADHL CC[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)[C@@H](C)C(=O)[O-] ZINC001595351724 980660486 /nfs/dbraw/zinc/66/04/86/980660486.db2.gz KFQNBSVDAXHJON-GMSGAONNSA-N -2 3 326.299 3.157 20 0 EGADHL CC(=O)c1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)cc1[O-] ZINC001589279361 986003706 /nfs/dbraw/zinc/00/37/06/986003706.db2.gz PNSDUFDCPWOXEH-UHFFFAOYSA-N -2 3 348.380 3.125 20 0 EGADHL CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC001597557090 988293891 /nfs/dbraw/zinc/29/38/91/988293891.db2.gz WLQOTMIRSGBHAZ-AWEZNQCLSA-N -2 3 341.407 3.318 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000028940112 212645309 /nfs/dbraw/zinc/64/53/09/212645309.db2.gz GXMZYSPTMFOMIW-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000336882288 163087273 /nfs/dbraw/zinc/08/72/73/163087273.db2.gz VZVXIZOFPNGDAP-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C(N=c1ccc([O-])n[n-]1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000343721457 164020277 /nfs/dbraw/zinc/02/02/77/164020277.db2.gz LPGZHBDHZXQOQT-UHFFFAOYSA-N -2 3 342.358 3.072 20 0 EGADHL CCOC(=O)c1cnc(/C=C\c2c(F)ccc([O-])c2F)c(C(=O)[O-])c1 ZINC000359529156 167180665 /nfs/dbraw/zinc/18/06/65/167180665.db2.gz UVYAKXZKEOKVAR-HYXAFXHYSA-N -2 3 349.289 3.111 20 0 EGADHL CC(C)(C)CCS(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000232510078 266206246 /nfs/dbraw/zinc/20/62/46/266206246.db2.gz VNKBJGQHCYKOIB-UHFFFAOYSA-N -2 3 336.251 3.333 20 0 EGADHL Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000492472535 311255053 /nfs/dbraw/zinc/25/50/53/311255053.db2.gz KKPZLNWYELPHEP-IHWYPQMZSA-N -2 3 349.184 3.216 20 0 EGADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H](CC)CCC ZINC000514774898 312244806 /nfs/dbraw/zinc/24/48/06/312244806.db2.gz VJWOPKWJWZUFNU-ZDUSSCGKSA-N -2 3 343.445 3.494 20 0 EGADHL CCc1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000536390142 314110947 /nfs/dbraw/zinc/11/09/47/314110947.db2.gz KVRJOZGXSSNQSG-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1Cl ZINC000547918488 314951127 /nfs/dbraw/zinc/95/11/27/314951127.db2.gz 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ZINC000055548874 453994225 /nfs/dbraw/zinc/99/42/25/453994225.db2.gz OLHWPXSJKBXPII-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1cc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(C)c1 ZINC000195503616 455969668 /nfs/dbraw/zinc/96/96/68/455969668.db2.gz APYBVFASDQNTHE-FNORWQNLSA-N -2 3 326.396 3.191 20 0 EGADHL CCOc1cc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc(Cl)c1[O-] ZINC000263336696 456128045 /nfs/dbraw/zinc/12/80/45/456128045.db2.gz MPKKYLRVZZYFQT-CMPLNLGQSA-N -2 3 327.808 3.129 20 0 EGADHL Cc1ccc(-c2cc(=NC(=O)c3c(F)ccc([O-])c3F)[nH][n-]2)s1 ZINC000348254489 456574252 /nfs/dbraw/zinc/57/42/52/456574252.db2.gz IDSDCYYIURAWLP-UHFFFAOYSA-N -2 3 335.335 3.105 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000321293734 456635861 /nfs/dbraw/zinc/63/58/61/456635861.db2.gz HNSXNFNWAQRJIX-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000323608778 456656292 /nfs/dbraw/zinc/65/62/92/456656292.db2.gz KCUFSYRMUQOFIH-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000324128150 456662114 /nfs/dbraw/zinc/66/21/14/456662114.db2.gz JPQGOPGYDYQMRM-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CC(=O)c1ccc([O-])c(NC(=O)c2cn[n-]c2-c2ccsc2)c1 ZINC000444284586 457879758 /nfs/dbraw/zinc/87/97/58/457879758.db2.gz HLFMTBLFKPPWSR-UHFFFAOYSA-N -2 3 327.365 3.299 20 0 EGADHL CC(=O)c1ccc([O-])c(NC(=O)c2c[n-]nc2-c2ccsc2)c1 ZINC000444284586 457879761 /nfs/dbraw/zinc/87/97/61/457879761.db2.gz HLFMTBLFKPPWSR-UHFFFAOYSA-N -2 3 327.365 3.299 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC000548210126 458855396 /nfs/dbraw/zinc/85/53/96/458855396.db2.gz FYNBSZLATXCUHG-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([O-])c1 ZINC000621588438 459974321 /nfs/dbraw/zinc/97/43/21/459974321.db2.gz XVTXOFNLAONLEN-JKSUJKDBSA-N -2 3 325.364 3.131 20 0 EGADHL CCCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670370056 548202315 /nfs/dbraw/zinc/20/23/15/548202315.db2.gz TXKJCTGVLRIMJA-VURMDHGXSA-N -2 3 344.367 3.238 20 0 EGADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2[O-])cc1 ZINC000738203375 576299305 /nfs/dbraw/zinc/29/93/05/576299305.db2.gz VFWRQKYWNVTELG-HNNXBMFYSA-N -2 3 345.420 3.368 20 0 EGADHL Cc1cc(COC(=O)c2c[n-]c(-c3ccccc3)n2)oc1C(=O)[O-] ZINC000738393783 576321119 /nfs/dbraw/zinc/32/11/19/576321119.db2.gz ZMUCLFSWGIWETO-UHFFFAOYSA-N -2 3 326.308 3.033 20 0 EGADHL Cc1cc(CO[N-]C(=O)Cc2cccc3ccccc32)oc1C(=O)[O-] ZINC000738395818 576321230 /nfs/dbraw/zinc/32/12/30/576321230.db2.gz YMKNZLLDURONFJ-UHFFFAOYSA-N -2 3 339.347 3.230 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)[n-]n2)o1 ZINC000738487613 576331018 /nfs/dbraw/zinc/33/10/18/576331018.db2.gz CVIXOGKNDHWANW-OAHLLOKOSA-N -2 3 344.298 3.100 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(F)cc3)n[n-]2)o1 ZINC000738487613 576331020 /nfs/dbraw/zinc/33/10/20/576331020.db2.gz CVIXOGKNDHWANW-OAHLLOKOSA-N -2 3 344.298 3.100 20 0 EGADHL O=C([O-])c1cc(F)ccc1CO[N-]C(=O)CCCc1ccccc1 ZINC000739236620 576382658 /nfs/dbraw/zinc/38/26/58/576382658.db2.gz OYMXXVCQBQEKLQ-UHFFFAOYSA-N -2 3 331.343 3.095 20 0 EGADHL CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320634555 600989570 /nfs/dbraw/zinc/98/95/70/600989570.db2.gz GXCAATVAQCGTQV-JTQLQIEISA-N -2 3 349.399 3.156 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1F ZINC000833351011 601096653 /nfs/dbraw/zinc/09/66/53/601096653.db2.gz HZOZYINKMIXDQT-SNVBAGLBSA-N -2 3 332.114 3.443 20 0 EGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771511537 1303414830 /nfs/dbraw/zinc/41/48/30/1303414830.db2.gz MGKSZMZYQSWEIN-UHFFFAOYSA-N -2 3 339.754 3.364 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccc2c(Cl)cccc21 ZINC001194411291 1368256257 /nfs/dbraw/zinc/25/62/57/1368256257.db2.gz KNIIFMXWOIFPLF-UHFFFAOYSA-N -2 3 334.784 3.395 20 0 EGADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1ncc(Br)cc1[O-] ZINC001210005205 1372252965 /nfs/dbraw/zinc/25/29/65/1372252965.db2.gz AWXSAGJIHVZDJR-UHFFFAOYSA-N -2 3 341.136 3.439 20 0 EGADHL COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)[O-])c(C)c1Cl ZINC001236128428 1376934387 /nfs/dbraw/zinc/93/43/87/1376934387.db2.gz KMMZLQNWAPXIQO-UHFFFAOYSA-N -2 3 344.758 3.202 20 0 EGADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)[O-])c(C)c1Cl ZINC001236128428 1376934392 /nfs/dbraw/zinc/93/43/92/1376934392.db2.gz KMMZLQNWAPXIQO-UHFFFAOYSA-N -2 3 344.758 3.202 20 0 EGADHL CC(=O)c1ccsc1NC(=O)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152672095 1379966758 /nfs/dbraw/zinc/96/67/58/1379966758.db2.gz WOQIRMDYZZSFGN-UHFFFAOYSA-N -2 3 328.349 3.162 20 0 EGADHL Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)sc1C(=O)[O-] ZINC000320290072 970643926 /nfs/dbraw/zinc/64/39/26/970643926.db2.gz IJVBWTVXHALESU-UHFFFAOYSA-N -2 3 328.349 3.261 20 0 EGADHL CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595621874 981704359 /nfs/dbraw/zinc/70/43/59/981704359.db2.gz QIYLEGQGKPMASE-OLZOCXBDSA-N -2 3 343.445 3.171 20 0 EGADHL C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC001594503485 985698435 /nfs/dbraw/zinc/69/84/35/985698435.db2.gz ZDIZRHVCGWXHPV-VYUIOLGVSA-N -2 3 346.210 3.162 20 0 EGADHL CC(C)(C)C1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001589728692 987935345 /nfs/dbraw/zinc/93/53/45/987935345.db2.gz OQUWYZBDOUYECJ-UHFFFAOYSA-N -2 3 343.445 3.109 20 0 EGADHL CC(C)(C)C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001589751020 988048038 /nfs/dbraw/zinc/04/80/38/988048038.db2.gz FUYISJFLXMLBRM-NSHDSACASA-N -2 3 333.306 3.030 20 0 EGADHL CCc1ccc(C(=O)Nc2cc(COC)cc(C(=O)[O-])c2)c([O-])c1 ZINC001597502417 988066883 /nfs/dbraw/zinc/06/68/83/988066883.db2.gz AKPKTGBMSCCHCX-UHFFFAOYSA-N -2 3 329.352 3.052 20 0 EGADHL CSc1ccc([O-])c(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC001599819805 988492483 /nfs/dbraw/zinc/49/24/83/988492483.db2.gz IRARIFMIHYJJSM-GFCCVEGCSA-N -2 3 345.420 3.230 20 0 EGADHL CC(C)(CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])CC(=O)[O-] ZINC001590747330 990545711 /nfs/dbraw/zinc/54/57/11/990545711.db2.gz SXHDSRWHZVONPY-UHFFFAOYSA-N -2 3 343.379 3.415 20 0 EGADHL O=C([O-])Cc1ccccc1CS(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000357066197 304089464 /nfs/dbraw/zinc/08/94/64/304089464.db2.gz BYWPWHLSZHCSOZ-UHFFFAOYSA-N -2 3 345.376 3.002 20 0 EGADHL O=C([O-])c1ccc([N-]C(=O)c2cc(-c3ccccc3)no2)c(F)c1 ZINC000325096616 154177140 /nfs/dbraw/zinc/17/71/40/154177140.db2.gz PHAVXOBDWDXUGQ-UHFFFAOYSA-N -2 3 326.283 3.431 20 0 EGADHL Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c([O-])c1 ZINC000237844116 266245798 /nfs/dbraw/zinc/24/57/98/266245798.db2.gz WDAMSVIBKYWGHM-UHFFFAOYSA-N -2 3 349.333 3.096 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000156265083 307829799 /nfs/dbraw/zinc/82/97/99/307829799.db2.gz NMWYYXGZCDZONV-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)ccc21 ZINC000536610820 314129918 /nfs/dbraw/zinc/12/99/18/314129918.db2.gz DNCMBSFOUZIQFG-UHFFFAOYSA-N -2 3 349.387 3.263 20 0 EGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000564448450 316154164 /nfs/dbraw/zinc/15/41/64/316154164.db2.gz NSIQUSWXIUACGV-CYBMUJFWSA-N -2 3 347.845 3.086 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000046015376 454205840 /nfs/dbraw/zinc/20/58/40/454205840.db2.gz ZQFKVMLWWZQEIN-UHFFFAOYSA-N -2 3 349.408 3.070 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000058518726 454212195 /nfs/dbraw/zinc/21/21/95/454212195.db2.gz ZVCIYCPSABALKS-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000090164070 454287155 /nfs/dbraw/zinc/28/71/55/454287155.db2.gz GDQVOSMZJDOGSB-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)n1 ZINC000125587984 454833392 /nfs/dbraw/zinc/83/33/92/454833392.db2.gz SIGISDGXEMFGNG-UHFFFAOYSA-N -2 3 349.390 3.266 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000320663862 456631847 /nfs/dbraw/zinc/63/18/47/456631847.db2.gz ILOFQJQSOGUGGQ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000358854894 457007077 /nfs/dbraw/zinc/00/70/77/457007077.db2.gz KIVJZUZNERADCO-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL C[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000390878613 457448241 /nfs/dbraw/zinc/44/82/41/457448241.db2.gz VBBRDTVFNMWWDC-NSHDSACASA-N -2 3 337.372 3.069 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000358565598 458081247 /nfs/dbraw/zinc/08/12/47/458081247.db2.gz UPUVVEBJUNZIRU-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)cc1[O-] ZINC000436598923 458341739 /nfs/dbraw/zinc/34/17/39/458341739.db2.gz CHSFQXJXZVWIHY-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL O=C(Nc1ccc(Br)cc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000547284839 458713654 /nfs/dbraw/zinc/71/36/54/458713654.db2.gz NWEGPVXJGHGTGK-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc(C(=O)[O-])c1C ZINC000680810172 549912836 /nfs/dbraw/zinc/91/28/36/549912836.db2.gz ZPCOQEXUZZFMFD-UHFFFAOYSA-N -2 3 349.408 3.125 20 0 EGADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cncc([O-])c3)nc(=O)c2c1C ZINC000732392526 575263239 /nfs/dbraw/zinc/26/32/39/575263239.db2.gz XSCDYHFCGWLLPR-QMMMGPOBSA-N -2 3 345.380 3.032 20 0 EGADHL C[C@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000739053372 576375769 /nfs/dbraw/zinc/37/57/69/576375769.db2.gz RQHSDOARBJOFMQ-ZETCQYMHSA-N -2 3 336.394 3.363 20 0 EGADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)[O-] ZINC000156243634 1294134780 /nfs/dbraw/zinc/13/47/80/1294134780.db2.gz BVKGRGFWMIHYHD-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CC(C)C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)CC(=O)[O-] ZINC000909875932 1318532380 /nfs/dbraw/zinc/53/23/80/1318532380.db2.gz UXFOUQJXPHORIO-AWEZNQCLSA-N -2 3 339.407 3.107 20 0 EGADHL Cc1cccc(C(C)(C)C)c1NC(=O)NCCCCP(=O)([O-])[O-] ZINC001184632143 1387501807 /nfs/dbraw/zinc/50/18/07/1387501807.db2.gz QUGXWCQKOVQEMZ-UHFFFAOYSA-N -2 3 342.376 3.372 20 0 EGADHL COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001191697349 1367564117 /nfs/dbraw/zinc/56/41/17/1367564117.db2.gz PMVDGEDHIPLCDW-UHFFFAOYSA-N -2 3 339.388 3.464 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cnccc1Cl ZINC001192890440 1367897533 /nfs/dbraw/zinc/89/75/33/1367897533.db2.gz VOWRHDIYBNQJAF-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cc(-c2ccccc2)no1 ZINC001225019228 1375089309 /nfs/dbraw/zinc/08/93/09/1375089309.db2.gz AXIZGCUILCXDPT-LBPRGKRZSA-N -2 3 325.301 3.377 20 0 EGADHL COc1cc(C(=O)[O-])ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001174674626 1385132973 /nfs/dbraw/zinc/13/29/73/1385132973.db2.gz CZICFYLDZHBVFA-UHFFFAOYSA-N -2 3 325.324 3.028 20 0 EGADHL CCC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825219826 1430024631 /nfs/dbraw/zinc/02/46/31/1430024631.db2.gz MMOQAORFQMGYAE-YHYXMXQVSA-N -2 3 340.412 3.285 20 0 EGADHL CCC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825219826 1430024638 /nfs/dbraw/zinc/02/46/38/1430024638.db2.gz MMOQAORFQMGYAE-YHYXMXQVSA-N -2 3 340.412 3.285 20 0 EGADHL CCC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825219812 1442142932 /nfs/dbraw/zinc/14/29/32/1442142932.db2.gz MMOQAORFQMGYAE-BJMVGYQFSA-N -2 3 340.412 3.285 20 0 EGADHL CCC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825219812 1442142935 /nfs/dbraw/zinc/14/29/35/1442142935.db2.gz MMOQAORFQMGYAE-BJMVGYQFSA-N -2 3 340.412 3.285 20 0 EGADHL CCC(CC)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825097251 1446754737 /nfs/dbraw/zinc/75/47/37/1446754737.db2.gz UVJVQQQOVUFIJK-UHFFFAOYSA-N -2 3 342.428 3.365 20 0 EGADHL CCC(CC)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825097251 1446754741 /nfs/dbraw/zinc/75/47/41/1446754741.db2.gz UVJVQQQOVUFIJK-UHFFFAOYSA-N -2 3 342.428 3.365 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000325454843 971217613 /nfs/dbraw/zinc/21/76/13/971217613.db2.gz PMIGPNSQVWLBCY-UHFFFAOYSA-N -2 3 349.383 3.051 20 0 EGADHL CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000050402098 957491639 /nfs/dbraw/zinc/49/16/39/957491639.db2.gz IGPHCJRHRMQIII-VIFPVBQESA-N -2 3 337.800 3.034 20 0 EGADHL CC(C)[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001573558109 959257844 /nfs/dbraw/zinc/25/78/44/959257844.db2.gz FEKULANSQZABOI-JTQLQIEISA-N -2 3 340.153 3.311 20 0 EGADHL CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c([O-])c1 ZINC001573567043 959294950 /nfs/dbraw/zinc/29/49/50/959294950.db2.gz QYMVOWFEINHONK-SFHVURJKSA-N -2 3 339.391 3.340 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793349945 978802897 /nfs/dbraw/zinc/80/28/97/978802897.db2.gz ZLKHXEYXSBCCMO-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL C[C@@]([N-]C(=O)C(F)(F)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001592994364 980202990 /nfs/dbraw/zinc/20/29/90/980202990.db2.gz WVUSNZKPAUEBOP-INIZCTEOSA-N -2 3 337.297 3.034 20 0 EGADHL CC[C@](NC(=O)c1cc(SC)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595265049 980273715 /nfs/dbraw/zinc/27/37/15/980273715.db2.gz KJQSAELXQQVUQH-GOSISDBHSA-N -2 3 345.420 3.234 20 0 EGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCC[C@H]21 ZINC000910248798 981820894 /nfs/dbraw/zinc/82/08/94/981820894.db2.gz SCSYMKPGRPEJKX-BBWFWOEESA-N -2 3 339.391 3.261 20 0 EGADHL CC(C)(C)CC(=O)[N-]OCc1c(Br)cccc1C(=O)[O-] ZINC001589740822 988011425 /nfs/dbraw/zinc/01/14/25/988011425.db2.gz KRXKKSXLVRUDFG-UHFFFAOYSA-N -2 3 344.205 3.131 20 0 EGADHL CCc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC001597557091 988293683 /nfs/dbraw/zinc/29/36/83/988293683.db2.gz WLQOTMIRSGBHAZ-CQSZACIVSA-N -2 3 341.407 3.318 20 0 EGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000072760886 202367413 /nfs/dbraw/zinc/36/74/13/202367413.db2.gz ZGONQDZHINPTAB-UHFFFAOYSA-N -2 3 329.761 3.049 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000338119451 141096600 /nfs/dbraw/zinc/09/66/00/141096600.db2.gz BQODKAOQQJGIAO-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000315528514 154156796 /nfs/dbraw/zinc/15/67/96/154156796.db2.gz KLPLRVBCLKVZOK-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000362125729 157033182 /nfs/dbraw/zinc/03/31/82/157033182.db2.gz OWOWSUFKQDSSMR-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000362130323 157034374 /nfs/dbraw/zinc/03/43/74/157034374.db2.gz QKPCEIVCQIUGPA-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000181195026 275205531 /nfs/dbraw/zinc/20/55/31/275205531.db2.gz UQHMHUYERVKWEC-UHFFFAOYSA-N -2 3 347.436 3.348 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000320748249 308767475 /nfs/dbraw/zinc/76/74/75/308767475.db2.gz ZVBNJDSPRSHSDG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000324614081 308769408 /nfs/dbraw/zinc/76/94/08/308769408.db2.gz NSJDPKICUCGWBA-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c([O-])c1 ZINC000436646982 309766442 /nfs/dbraw/zinc/76/64/42/309766442.db2.gz INCCTFYGTBLGCO-UHFFFAOYSA-N -2 3 329.352 3.438 20 0 EGADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436782026 309773954 /nfs/dbraw/zinc/77/39/54/309773954.db2.gz AODYUESIOFNYFQ-OAHLLOKOSA-N -2 3 345.420 3.368 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CSC)c2)c1 ZINC000538298573 314238184 /nfs/dbraw/zinc/23/81/84/314238184.db2.gz NUUNJDOSTZPRLX-UHFFFAOYSA-N -2 3 339.438 3.065 20 0 EGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000548268256 314987636 /nfs/dbraw/zinc/98/76/36/314987636.db2.gz JJGFYQUHKAZELC-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)c([O-])c1 ZINC000573625390 317510313 /nfs/dbraw/zinc/51/03/13/317510313.db2.gz HRIQTBVLTKMQRG-NSHDSACASA-N -2 3 332.327 3.312 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1Cl ZINC000380290403 324243675 /nfs/dbraw/zinc/24/36/75/324243675.db2.gz RTJCZMHEMADVTB-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000031722655 453852810 /nfs/dbraw/zinc/85/28/10/453852810.db2.gz IQESSPHDRYGGEN-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1O ZINC000042794700 454025891 /nfs/dbraw/zinc/02/58/91/454025891.db2.gz VLKRQHIVHCDRFN-UHFFFAOYSA-N -2 3 349.408 3.125 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000060360631 454281182 /nfs/dbraw/zinc/28/11/82/454281182.db2.gz OMVUUVTYIWKPFU-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C ZINC000096697631 454376583 /nfs/dbraw/zinc/37/65/83/454376583.db2.gz WSNSYAFMBIRRIN-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)[O-] ZINC000152924393 454742529 /nfs/dbraw/zinc/74/25/29/454742529.db2.gz QVUHBKDGFMVYPR-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000152931299 454743572 /nfs/dbraw/zinc/74/35/72/454743572.db2.gz UKOGRTSNSAYSPI-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL O=C(c1cc(Br)ccc1[O-])N1CCCc2cccc([O-])c21 ZINC000182939409 455194791 /nfs/dbraw/zinc/19/47/91/455194791.db2.gz UTTMWJGUFXGQSI-UHFFFAOYSA-N -2 3 348.196 3.453 20 0 EGADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc([O-])c3F)c2O1 ZINC000195505018 455971511 /nfs/dbraw/zinc/97/15/11/455971511.db2.gz QLRCAXIPIQKNHP-UHFFFAOYSA-N -2 3 337.372 3.046 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC000316031996 456611846 /nfs/dbraw/zinc/61/18/46/456611846.db2.gz HMZDEUSDARPMPE-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000436875758 458397181 /nfs/dbraw/zinc/39/71/81/458397181.db2.gz FDJAZWXZXCBMCU-UHFFFAOYSA-N -2 3 325.324 3.139 20 0 EGADHL CC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000436875758 458397183 /nfs/dbraw/zinc/39/71/83/458397183.db2.gz FDJAZWXZXCBMCU-UHFFFAOYSA-N -2 3 325.324 3.139 20 0 EGADHL O=C(Nc1ccc(Br)cc1[O-])c1c([O-])cccc1F ZINC000543865123 459709106 /nfs/dbraw/zinc/70/91/06/459709106.db2.gz TWPZAARAXZZVIY-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C ZINC000738655241 575024091 /nfs/dbraw/zinc/02/40/91/575024091.db2.gz NMPYBAAQMAQLIK-UHFFFAOYSA-N -2 3 348.424 3.214 20 0 EGADHL C[C@@H](SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000739053371 576375884 /nfs/dbraw/zinc/37/58/84/576375884.db2.gz RQHSDOARBJOFMQ-SSDOTTSWSA-N -2 3 336.394 3.363 20 0 EGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3ccccc3s2)s1 ZINC000739776716 576504863 /nfs/dbraw/zinc/50/48/63/576504863.db2.gz JCUHQXUETGZMPC-UHFFFAOYSA-N -2 3 333.394 3.022 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(F)cc1F ZINC000740090083 576545434 /nfs/dbraw/zinc/54/54/34/576545434.db2.gz RIXOQPKYWUKJAJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(F)c1 ZINC000740154418 576555485 /nfs/dbraw/zinc/55/54/85/576555485.db2.gz AVMBUHHGNFHJMK-UHFFFAOYSA-N -2 3 347.367 3.253 20 0 EGADHL O=C([O-])c1ccc([O-])c(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000740154605 576555506 /nfs/dbraw/zinc/55/55/06/576555506.db2.gz IDOCUOICUMBZGB-UHFFFAOYSA-N -2 3 342.376 3.347 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000323797155 600885250 /nfs/dbraw/zinc/88/52/50/600885250.db2.gz ICMHOQJGZDLQPV-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000320379349 601317364 /nfs/dbraw/zinc/31/73/64/601317364.db2.gz VGGSJTRBNJAXKJ-POHAHGRESA-N -2 3 331.393 3.202 20 0 EGADHL Cc1[n-]nc(C(F)(F)F)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829832939 603943328 /nfs/dbraw/zinc/94/33/28/603943328.db2.gz DBPQKUQKXCXPFJ-UHFFFAOYSA-N -2 3 329.234 3.046 20 0 EGADHL C[C@@H](Sc1ccccc1C(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000833543982 604795834 /nfs/dbraw/zinc/79/58/34/604795834.db2.gz CAQPCNGSAOXGKS-SECBINFHSA-N -2 3 335.356 3.349 20 0 EGADHL C[C@@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000909530388 1318488031 /nfs/dbraw/zinc/48/80/31/1318488031.db2.gz SMLFRYKDOPAZPK-HNAYVOBHSA-N -2 3 327.380 3.309 20 0 EGADHL COc1c(Nc2cc(=O)n(-c3ccccc3)[n-]2)cccc1C(=O)[O-] ZINC001211033305 1372473968 /nfs/dbraw/zinc/47/39/68/1372473968.db2.gz NPXMJRSWJDUPFT-UHFFFAOYSA-N -2 3 325.324 3.028 20 0 EGADHL O=S(=O)([O-])c1ccc(Nc2ccc([O-])c(F)c2F)c(Cl)c1 ZINC001212013904 1372646884 /nfs/dbraw/zinc/64/68/84/1372646884.db2.gz PDIUEWZCBLROEG-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([O-])c2)cc1Cl ZINC001212591693 1372734471 /nfs/dbraw/zinc/73/44/71/1372734471.db2.gz ZFGXLJNAEYFBSK-UHFFFAOYSA-N -2 3 333.196 3.082 20 0 EGADHL O=C([O-])c1c(F)ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1F ZINC001215270278 1373192906 /nfs/dbraw/zinc/19/29/06/1373192906.db2.gz RWACROFCMHPXOD-UHFFFAOYSA-N -2 3 331.278 3.298 20 0 EGADHL CC(C)Oc1cc(F)c(COCCCCP(=O)([O-])[O-])c(F)c1 ZINC001225019361 1375089596 /nfs/dbraw/zinc/08/95/96/1375089596.db2.gz DGCAJTCMRGEUJL-UHFFFAOYSA-N -2 3 338.287 3.227 20 0 EGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ccc(Br)cc1 ZINC001225018885 1375089773 /nfs/dbraw/zinc/08/97/73/1375089773.db2.gz KSZCXTPSGRXKEY-JTQLQIEISA-N -2 3 337.150 3.485 20 0 EGADHL COc1ccc(-c2oc3cc([O-])cc([O-])c3c(=O)c2OC2CC2)cc1 ZINC001229672665 1375874596 /nfs/dbraw/zinc/87/45/96/1375874596.db2.gz TZBCZLZDXNFPGQ-UHFFFAOYSA-N -2 3 340.331 3.421 20 0 EGADHL O=C([O-])/C=C/c1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001176591716 1385635019 /nfs/dbraw/zinc/63/50/19/1385635019.db2.gz OLNLQNJNHQODIF-ZZXKWVIFSA-N -2 3 335.157 3.391 20 0 EGADHL O=C(CC1CCC1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822940755 1424361115 /nfs/dbraw/zinc/36/11/15/1424361115.db2.gz CXZGXEYCJKUTCD-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL O=C(CC1CCC1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822940755 1424361121 /nfs/dbraw/zinc/36/11/21/1424361121.db2.gz CXZGXEYCJKUTCD-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1F ZINC000326397307 971289762 /nfs/dbraw/zinc/28/97/62/971289762.db2.gz LWWYPUBGKAOVSO-UHFFFAOYSA-N -2 3 349.383 3.051 20 0 EGADHL CCCCOc1ccc(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c([O-])c1 ZINC001589653979 949799251 /nfs/dbraw/zinc/79/92/51/949799251.db2.gz GNZIQEOSABDNJE-IBGZPJMESA-N -2 3 349.427 3.288 20 0 EGADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909476926 957019007 /nfs/dbraw/zinc/01/90/07/957019007.db2.gz HLLSWIUTXFONDX-ZDUSSCGKSA-N -2 3 327.380 3.262 20 0 EGADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000050402095 957491808 /nfs/dbraw/zinc/49/18/08/957491808.db2.gz IGPHCJRHRMQIII-SECBINFHSA-N -2 3 337.800 3.034 20 0 EGADHL Cc1cccc([C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)[O-])c1 ZINC001594391337 958725892 /nfs/dbraw/zinc/72/58/92/958725892.db2.gz CHHSISSPRJUHRJ-SFHVURJKSA-N -2 3 345.370 3.105 20 0 EGADHL O=C([O-])c1ccc2c(c1)CN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000910039788 981738625 /nfs/dbraw/zinc/73/86/25/981738625.db2.gz APLZMXWUKGXOQR-UHFFFAOYSA-N -2 3 343.354 3.095 20 0 EGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC001596068429 983381252 /nfs/dbraw/zinc/38/12/52/983381252.db2.gz CZIQTUGCQVXIBG-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC001597786167 989309341 /nfs/dbraw/zinc/30/93/41/989309341.db2.gz XSDFGONTKCTDPN-UHFFFAOYSA-N -2 3 343.788 3.303 20 0 EGADHL C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594236637 998901934 /nfs/dbraw/zinc/90/19/34/998901934.db2.gz RSRKXFMMSOLWOG-VXGBXAGGSA-N -2 3 343.445 3.109 20 0 EGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCC2=CCCCC2)c1 ZINC000355476547 166214559 /nfs/dbraw/zinc/21/45/59/166214559.db2.gz XSHHFCKKXMURGP-UHFFFAOYSA-N -2 3 341.404 3.001 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000323042282 308768456 /nfs/dbraw/zinc/76/84/56/308768456.db2.gz CEXYFSFHQAYJQF-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1F ZINC000427307176 309526541 /nfs/dbraw/zinc/52/65/41/309526541.db2.gz GKQMNRDPJZZDAH-UHFFFAOYSA-N -2 3 345.298 3.262 20 0 EGADHL COc1ccc(Cl)cc1-c1cc(=NC(=O)c2ccccc2[O-])[nH][n-]1 ZINC000436839767 309777245 /nfs/dbraw/zinc/77/72/45/309777245.db2.gz MRNUSWJXXNBWHS-UHFFFAOYSA-N -2 3 343.770 3.119 20 0 EGADHL C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000447156003 309974733 /nfs/dbraw/zinc/97/47/33/309974733.db2.gz ZONANAWHDRPJCZ-SNVBAGLBSA-N -2 3 331.459 3.084 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000539367224 314308893 /nfs/dbraw/zinc/30/88/93/314308893.db2.gz CIWGRLRBYQHMLV-UHFFFAOYSA-N -2 3 333.409 3.080 20 0 EGADHL CCc1ccc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000563587013 316041668 /nfs/dbraw/zinc/04/16/68/316041668.db2.gz IUXWUHAQVUQCHT-UHFFFAOYSA-N -2 3 337.372 3.028 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000042122865 453996279 /nfs/dbraw/zinc/99/62/79/453996279.db2.gz BIOGSQAFATULDQ-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)cc1 ZINC000058518751 454212064 /nfs/dbraw/zinc/21/20/64/454212064.db2.gz HVZFBRUMCZRHDZ-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000134620723 454569986 /nfs/dbraw/zinc/56/99/86/454569986.db2.gz YZVQVVQNROCZTE-UHFFFAOYSA-N -2 3 347.436 3.457 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc(C(=O)[O-])c1C ZINC000348424993 456682924 /nfs/dbraw/zinc/68/29/24/456682924.db2.gz TYMMHILVKGJGTA-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000356508781 457029290 /nfs/dbraw/zinc/02/92/90/457029290.db2.gz QAPYUGCHWAZBIL-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[O-] ZINC000363332627 457296642 /nfs/dbraw/zinc/29/66/42/457296642.db2.gz SKKIFZNHZOLWFY-UHFFFAOYSA-N -2 3 339.391 3.141 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c(F)c1 ZINC000352437769 457366538 /nfs/dbraw/zinc/36/65/38/457366538.db2.gz OUARMXAXJJCOBN-UHFFFAOYSA-N -2 3 345.298 3.262 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000430979650 458513153 /nfs/dbraw/zinc/51/31/53/458513153.db2.gz PFNUMIOQDAZZGZ-UHFFFAOYSA-N -2 3 338.429 3.182 20 0 EGADHL O=C([O-])CCCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547588700 458759987 /nfs/dbraw/zinc/75/99/87/458759987.db2.gz RSWVERBIEKRNHV-UHFFFAOYSA-N -2 3 341.816 3.026 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1F ZINC000485040637 459438574 /nfs/dbraw/zinc/43/85/74/459438574.db2.gz CJMFZYQTKCGFQC-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL O=C(N=c1[n-]nc(Cc2ccccc2)s1)c1cc2ccsc2[n-]1 ZINC000618346494 459975348 /nfs/dbraw/zinc/97/53/48/459975348.db2.gz MOKSDZTZBYTMSK-UHFFFAOYSA-N -2 3 340.433 3.346 20 0 EGADHL O=C([O-])c1cnc(-c2cc(F)ccc2OCC2CCOCC2)c([O-])c1 ZINC000657204885 461989447 /nfs/dbraw/zinc/98/94/47/461989447.db2.gz ZCVIJEKXSLWNDK-UHFFFAOYSA-N -2 3 347.342 3.097 20 0 EGADHL CCC(CC)c1n[n-]c(=NC(=O)c2n[n-]c3c2cccc3OC)s1 ZINC000347936405 535161856 /nfs/dbraw/zinc/16/18/56/535161856.db2.gz RAPWTWIMOFDIGD-UHFFFAOYSA-N -2 3 345.428 3.001 20 0 EGADHL CCC(CC)c1n[n-]c(=NC(=O)c2[n-]nc3c2cccc3OC)s1 ZINC000347936405 535161860 /nfs/dbraw/zinc/16/18/60/535161860.db2.gz RAPWTWIMOFDIGD-UHFFFAOYSA-N -2 3 345.428 3.001 20 0 EGADHL COc1ccc(NC(=O)c2cc(Br)ccc2[O-])c([O-])c1 ZINC000443558093 547920989 /nfs/dbraw/zinc/92/09/89/547920989.db2.gz KMYRVXFHSREYTO-UHFFFAOYSA-N -2 3 338.157 3.121 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1CC ZINC000486089698 547968612 /nfs/dbraw/zinc/96/86/12/547968612.db2.gz QVJOFQPGCLJYEH-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(C)c1C ZINC000507635442 548009769 /nfs/dbraw/zinc/00/97/69/548009769.db2.gz LKNMTBQVROWQER-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc(C(=O)[O-])c1 ZINC000507644547 548009807 /nfs/dbraw/zinc/00/98/07/548009807.db2.gz MLVBYWCYPXELOD-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000670369775 548201963 /nfs/dbraw/zinc/20/19/63/548201963.db2.gz ARFAMHAJPOMGKF-VURMDHGXSA-N -2 3 344.367 3.238 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000738655450 576346924 /nfs/dbraw/zinc/34/69/24/576346924.db2.gz WPLMOBDENBFHAY-UHFFFAOYSA-N -2 3 348.424 3.214 20 0 EGADHL O=C([O-])[C@@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000739613960 576434600 /nfs/dbraw/zinc/43/46/00/576434600.db2.gz MGTYFCWPSIQLOB-MRXNPFEDSA-N -2 3 337.375 3.100 20 0 EGADHL O=C([O-])c1ccc(C(=O)[N-]c2nc(-c3ccsc3)ns2)s1 ZINC000740114440 576549647 /nfs/dbraw/zinc/54/96/47/576549647.db2.gz GRDGJOHAINBEFE-UHFFFAOYSA-N -2 3 337.407 3.279 20 0 EGADHL O=C([O-])c1cc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c(F)cc1F ZINC000833300532 601127126 /nfs/dbraw/zinc/12/71/26/601127126.db2.gz QCNKLTIGTPZJAM-UHFFFAOYSA-N -2 3 349.186 3.472 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1F ZINC000320572625 601329885 /nfs/dbraw/zinc/32/98/85/601329885.db2.gz WDBGXQZVTYAASF-RUDMXATFSA-N -2 3 335.356 3.033 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000830253777 601801861 /nfs/dbraw/zinc/80/18/61/601801861.db2.gz MJVPQEFDEYTXBX-UHFFFAOYSA-N -2 3 334.397 3.071 20 0 EGADHL CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000909002157 1318424711 /nfs/dbraw/zinc/42/47/11/1318424711.db2.gz QBITXPHIJWRIRC-GOSISDBHSA-N -2 3 345.370 3.138 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(F)cc1C ZINC001185917144 1387827267 /nfs/dbraw/zinc/82/72/67/1387827267.db2.gz CFRMDCLKZPENGE-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cnc(Cl)c(Cl)c1 ZINC001188068654 1388234445 /nfs/dbraw/zinc/23/44/45/1388234445.db2.gz FWGGMPZLZJZFPP-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL CCOC(=O)c1cnoc1[N-]c1cc(C(=O)[O-])c(Cl)cc1F ZINC001214736015 1373112299 /nfs/dbraw/zinc/11/22/99/1373112299.db2.gz KVOJXYGNRGQCEM-UHFFFAOYSA-N -2 3 328.683 3.086 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC001188424748 1388308005 /nfs/dbraw/zinc/30/80/05/1388308005.db2.gz YUGGKTOLXGQLTN-UHFFFAOYSA-N -2 3 344.367 3.394 20 0 EGADHL Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)ccc1N(C)C ZINC001167939778 1383773337 /nfs/dbraw/zinc/77/33/37/1383773337.db2.gz QBDFBVWVMQGGGD-UHFFFAOYSA-N -2 3 346.367 3.146 20 0 EGADHL O=C([O-])C1(c2ccc(Nc3cc(=O)n(-c4ccccc4)[n-]3)cc2)CC1 ZINC001176584454 1385632130 /nfs/dbraw/zinc/63/21/30/1385632130.db2.gz MAFYHSDNAZABNJ-UHFFFAOYSA-N -2 3 335.363 3.438 20 0 EGADHL O=C([O-])C1(c2ccc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc2)CC1 ZINC001176589386 1385634232 /nfs/dbraw/zinc/63/42/32/1385634232.db2.gz WDAPFTXALFAXLK-UHFFFAOYSA-N -2 3 335.363 3.438 20 0 EGADHL CC[C@@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001589549544 955212438 /nfs/dbraw/zinc/21/24/38/955212438.db2.gz XMYZNDALVKNDHK-INIZCTEOSA-N -2 3 341.407 3.018 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1F ZINC000771603567 978743535 /nfs/dbraw/zinc/74/35/35/978743535.db2.gz BNAMQLJIFJACQN-UHFFFAOYSA-N -2 3 335.356 3.202 20 0 EGADHL C[C@H](Sc1ccccc1C(=O)Nc1cccc([O-])c1F)C(=O)[O-] ZINC000833544780 979202003 /nfs/dbraw/zinc/20/20/03/979202003.db2.gz IZALSGOKDIICMV-VIFPVBQESA-N -2 3 335.356 3.349 20 0 EGADHL C[C@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC[C@H]1C(=O)[O-] ZINC000909535031 981534639 /nfs/dbraw/zinc/53/46/39/981534639.db2.gz VRGIXRDAPWLTPR-UGSOOPFHSA-N -2 3 337.391 3.004 20 0 EGADHL Cc1n[n-]cc1C(=O)O[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001599969224 985973711 /nfs/dbraw/zinc/97/37/11/985973711.db2.gz OUZXMSNATLQYTF-NSHDSACASA-N -2 3 329.139 3.008 20 0 EGADHL CCc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)c([O-])c1 ZINC001597500928 988060650 /nfs/dbraw/zinc/06/06/50/988060650.db2.gz DJNDPTOVQSOPSF-INIZCTEOSA-N -2 3 333.428 3.356 20 0 EGADHL CCc1ccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c([O-])c1 ZINC001597502945 988069963 /nfs/dbraw/zinc/06/99/63/988069963.db2.gz MPRFHKPEBSEPKT-UHFFFAOYSA-N -2 3 346.408 3.169 20 0 EGADHL CCc1cccc(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c1[O-] ZINC001597576572 988367009 /nfs/dbraw/zinc/36/70/09/988367009.db2.gz PXNYCHURKLWECE-UHFFFAOYSA-N -2 3 334.397 3.485 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001599820378 988502970 /nfs/dbraw/zinc/50/29/70/988502970.db2.gz WTNPOYSTDSYBOB-HNNXBMFYSA-N -2 3 349.383 3.117 20 0 EGADHL CC(C)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001591197462 992018901 /nfs/dbraw/zinc/01/89/01/992018901.db2.gz HYSSBHPCUHMNEB-UHFFFAOYSA-N -2 3 349.811 3.034 20 0 EGADHL CCOc1c(Cl)cccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349114497 156357351 /nfs/dbraw/zinc/35/73/51/156357351.db2.gz UQALQQYZYIGERM-FPLPWBNLSA-N -2 3 348.786 3.340 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC)c2)cc1C(=O)[O-] ZINC000323912523 308768818 /nfs/dbraw/zinc/76/88/18/308768818.db2.gz SDQCZIRGQBCQJC-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323968483 308768894 /nfs/dbraw/zinc/76/88/94/308768894.db2.gz BQRXRPNMMMNODU-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL O=S(=O)(CCc1ccccc1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000391298975 308901426 /nfs/dbraw/zinc/90/14/26/308901426.db2.gz UJPFROQAQAADAU-UHFFFAOYSA-N -2 3 345.342 3.395 20 0 EGADHL COc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc(OC)c1[O-] ZINC000439278407 309830356 /nfs/dbraw/zinc/83/03/56/309830356.db2.gz SBKYNAMNZVQBBO-VOTSOKGWSA-N -2 3 341.319 3.419 20 0 EGADHL O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cc(-c2ccco2)n[n-]1 ZINC000448539915 310005604 /nfs/dbraw/zinc/00/56/04/310005604.db2.gz XWMCLBHNTUTMJW-UHFFFAOYSA-N -2 3 338.298 3.138 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000489304313 311099187 /nfs/dbraw/zinc/09/91/87/311099187.db2.gz HBAPXRRBKMISIO-UHFFFAOYSA-N -2 3 341.335 3.432 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000057178036 454109537 /nfs/dbraw/zinc/10/95/37/454109537.db2.gz ZRUYJSLOBYMTNO-UHFFFAOYSA-N -2 3 339.800 3.401 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000152917626 454741450 /nfs/dbraw/zinc/74/14/50/454741450.db2.gz CEXGOPNUZQEAHP-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000340325596 456388068 /nfs/dbraw/zinc/38/80/68/456388068.db2.gz VWNSWRJNQIUVFA-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C(NCc1ccc([O-])c(F)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753972 458374322 /nfs/dbraw/zinc/37/43/22/458374322.db2.gz WXFQODRUTZIIJL-UHFFFAOYSA-N -2 3 329.249 3.186 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc(C(=O)[O-])c1C ZINC000471122575 458679485 /nfs/dbraw/zinc/67/94/85/458679485.db2.gz AYQJXZZBGQVFLH-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000559693358 459272520 /nfs/dbraw/zinc/27/25/20/459272520.db2.gz QNXNTNDWBZABHN-SNVBAGLBSA-N -2 3 336.251 3.475 20 0 EGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(Br)cc1[O-] ZINC000650181887 461627715 /nfs/dbraw/zinc/62/77/15/461627715.db2.gz CUVKXUKYZLKSMU-JTQLQIEISA-N -2 3 336.251 3.475 20 0 EGADHL Cc1nc(C=Cc2nc3c(s2)CCCC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000669644640 461751125 /nfs/dbraw/zinc/75/11/25/461751125.db2.gz LOPMTTKQGXLSQC-FPLPWBNLSA-N -2 3 345.424 3.014 20 0 EGADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C1CCCCC1 ZINC000656624155 461810252 /nfs/dbraw/zinc/81/02/52/461810252.db2.gz LXOVAKMXVHVTNU-HNNXBMFYSA-N -2 3 327.446 3.038 20 0 EGADHL Cc1ccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c([O-])c1 ZINC000648442892 462121186 /nfs/dbraw/zinc/12/11/86/462121186.db2.gz MSHAOOWELVTTST-UHFFFAOYSA-N -2 3 339.391 3.419 20 0 EGADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1cccs1 ZINC000645956490 462478090 /nfs/dbraw/zinc/47/80/90/462478090.db2.gz RMPZHSBUVZGALG-NSHDSACASA-N -2 3 343.426 3.105 20 0 EGADHL CCOc1ccc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)cc1 ZINC000163471512 546972583 /nfs/dbraw/zinc/97/25/83/546972583.db2.gz OXPUZYZEXZQRML-FMIVXFBMSA-N -2 3 334.379 3.185 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc(C(=O)[O-])c1 ZINC000507570186 548009250 /nfs/dbraw/zinc/00/92/50/548009250.db2.gz YDRUHCKRRBKRJH-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2[O-])cc1 ZINC000738202317 576299452 /nfs/dbraw/zinc/29/94/52/576299452.db2.gz DIXHHJWNBSVDPP-CQSZACIVSA-N -2 3 331.393 3.060 20 0 EGADHL Cc1cc(C(=O)[O-])c2c(=O)[n-]c(SCC3CCCCC3)nc2n1 ZINC000738343183 576315886 /nfs/dbraw/zinc/31/58/86/576315886.db2.gz PSIRDKPDAAHBPG-UHFFFAOYSA-N -2 3 333.413 3.409 20 0 EGADHL Cc1cccc2cc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)oc21 ZINC000738750582 576359076 /nfs/dbraw/zinc/35/90/76/576359076.db2.gz VVKXDUYVXBMCLJ-UHFFFAOYSA-N -2 3 345.380 3.252 20 0 EGADHL C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000386267614 601236956 /nfs/dbraw/zinc/23/69/56/601236956.db2.gz OBYVQKHIMDIJFM-VIFPVBQESA-N -2 3 349.399 3.156 20 0 EGADHL CC(C)CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391087479 601405654 /nfs/dbraw/zinc/40/56/54/601405654.db2.gz JFVLPQLEFKMVOC-UHFFFAOYSA-N -2 3 349.399 3.014 20 0 EGADHL C[C@]12C[C@@H]3C[C@](C(=O)NCCCCP(=O)([O-])[O-])(C1)C[C@@](C)(C3)C2 ZINC001184497434 1387472905 /nfs/dbraw/zinc/47/29/05/1387472905.db2.gz QBJHKSPUDFZZNN-BGOPPPGBSA-N -2 3 343.404 3.057 20 0 EGADHL O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1ccc(Cl)cc1[O-] ZINC001185134072 1387624938 /nfs/dbraw/zinc/62/49/38/1387624938.db2.gz JOLAPFOHQWTEGU-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc2ccccc2s1 ZINC001185433831 1387715820 /nfs/dbraw/zinc/71/58/20/1387715820.db2.gz PYEIPFSFQFKKAE-UHFFFAOYSA-N -2 3 340.813 3.456 20 0 EGADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC001195254573 1368408439 /nfs/dbraw/zinc/40/84/39/1368408439.db2.gz NFHGEGYALYUKMP-UHFFFAOYSA-N -2 3 347.383 3.054 20 0 EGADHL CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254039 1368408712 /nfs/dbraw/zinc/40/87/12/1368408712.db2.gz FZLNHYOQXIODSU-SNVBAGLBSA-N -2 3 349.399 3.158 20 0 EGADHL O=C([O-])Cc1ccccc1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001595136978 952060021 /nfs/dbraw/zinc/06/00/21/952060021.db2.gz JUFLROPXJGOMNY-UHFFFAOYSA-N -2 3 339.269 3.290 20 0 EGADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000033047700 957179964 /nfs/dbraw/zinc/17/99/64/957179964.db2.gz AUXOWHLXYGQIFM-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001604964706 972552192 /nfs/dbraw/zinc/55/21/92/972552192.db2.gz BFDRONFKMOGGSU-GFCCVEGCSA-N -2 3 325.430 3.123 20 0 EGADHL CCCCOc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)c([O-])c1 ZINC001603652649 974017108 /nfs/dbraw/zinc/01/71/08/974017108.db2.gz YGBHWADHOMQXRE-UHFFFAOYSA-N -2 3 343.379 3.199 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001599820384 988502928 /nfs/dbraw/zinc/50/29/28/988502928.db2.gz XBSDOXSRSLRCMW-AWEZNQCLSA-N -2 3 349.383 3.199 20 0 EGADHL CC(C)CC[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(C)(C)C ZINC001591221700 992089107 /nfs/dbraw/zinc/08/91/07/992089107.db2.gz MVFONQFZPDRGSV-LBPRGKRZSA-N -2 3 331.434 3.107 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C ZINC000342971577 536615470 /nfs/dbraw/zinc/61/54/70/536615470.db2.gz MLOQHDFWXXPCQC-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1nc(C=Cc2ccc(CC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349103250 156353409 /nfs/dbraw/zinc/35/34/09/156353409.db2.gz CJNOBYUYWIPYJV-HJWRWDBZSA-N -2 3 326.396 3.487 20 0 EGADHL Cc1nc(C=Cc2ccc(C(F)(F)F)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105823 156356087 /nfs/dbraw/zinc/35/60/87/156356087.db2.gz HNYITXOPZSMDKF-HYXAFXHYSA-N -2 3 344.314 3.368 20 0 EGADHL O=C(Nc1cc(F)ccc1[O-])c1cc(Br)ccc1[O-] ZINC000436613638 309764606 /nfs/dbraw/zinc/76/46/06/309764606.db2.gz WPTVRIHUSLSJDZ-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)ccc1[O-] ZINC000436776902 309773429 /nfs/dbraw/zinc/77/34/29/309773429.db2.gz ARMFERKPLVCHOH-UHFFFAOYSA-N -2 3 329.743 3.394 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(Cl)c1 ZINC000485276073 310975236 /nfs/dbraw/zinc/97/52/36/310975236.db2.gz OFKFSIXLASHDKZ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000389259589 324278786 /nfs/dbraw/zinc/27/87/86/324278786.db2.gz IBEKEBABMJHLLA-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000078758252 454313606 /nfs/dbraw/zinc/31/36/06/454313606.db2.gz VLZYRWYSKYUHCW-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1F ZINC000180019941 455116815 /nfs/dbraw/zinc/11/68/15/455116815.db2.gz IAXPGVLWGUVJRV-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C)c2F)c1C ZINC000180019812 455116950 /nfs/dbraw/zinc/11/69/50/455116950.db2.gz OFWMRGAJTWRJAW-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000184653263 455421791 /nfs/dbraw/zinc/42/17/91/455421791.db2.gz RZDFLRFGXYCSDT-CQSZACIVSA-N -2 3 347.436 3.367 20 0 EGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)ccc1[O-] ZINC000175689969 455483376 /nfs/dbraw/zinc/48/33/76/455483376.db2.gz ATXHBEQGAMKPAF-UHFFFAOYSA-N -2 3 348.424 3.275 20 0 EGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1[O-] ZINC000175688194 455483510 /nfs/dbraw/zinc/48/35/10/455483510.db2.gz JZYKWFGCZMRMCW-UHFFFAOYSA-N -2 3 348.424 3.275 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Cl ZINC000427317106 457973710 /nfs/dbraw/zinc/97/37/10/457973710.db2.gz UJNBOYQZYOYTBP-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C(Nc1ccc(Cl)cc1[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000436738770 458372637 /nfs/dbraw/zinc/37/26/37/458372637.db2.gz MLENFMKNKVTZDC-UHFFFAOYSA-N -2 3 329.743 3.189 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000484810937 459431644 /nfs/dbraw/zinc/43/16/44/459431644.db2.gz QDOIKYFFCWCDFY-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000562310977 459535793 /nfs/dbraw/zinc/53/57/93/459535793.db2.gz NVOHPMZBLGTZTH-UHFFFAOYSA-N -2 3 339.800 3.401 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)C1CCCCC1 ZINC000656632680 461815037 /nfs/dbraw/zinc/81/50/37/461815037.db2.gz YPZQOQZKPDNHKM-OAHLLOKOSA-N -2 3 349.399 3.007 20 0 EGADHL CN(Cc1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1)C(=O)[O-] ZINC000737485170 576236574 /nfs/dbraw/zinc/23/65/74/576236574.db2.gz BQVGBGKLOFGHLH-UHFFFAOYSA-N -2 3 340.339 3.032 20 0 EGADHL Cc1c2cccc(C)c2oc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738276567 576309401 /nfs/dbraw/zinc/30/94/01/576309401.db2.gz ZGQRHKLUFCWNSM-UHFFFAOYSA-N -2 3 345.380 3.171 20 0 EGADHL O=C([O-])Nc1cc(C(=O)Nc2ncccc2[O-])cc(C(F)(F)F)c1 ZINC000833284844 602143316 /nfs/dbraw/zinc/14/33/16/602143316.db2.gz ZVBVLRHMKDABQH-UHFFFAOYSA-N -2 3 341.245 3.148 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(C(=O)[O-])c1 ZINC000833751026 605184769 /nfs/dbraw/zinc/18/47/69/605184769.db2.gz NAELRVSMMGTWAL-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)[N-]OCc1ccccc1 ZINC000065771267 1292092291 /nfs/dbraw/zinc/09/22/91/1292092291.db2.gz WSVSPXLHVBIBDG-UHFFFAOYSA-N -2 3 326.381 3.458 20 0 EGADHL O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1c([O-])cccc1Cl ZINC001185134175 1387624856 /nfs/dbraw/zinc/62/48/56/1387624856.db2.gz PGYKUIMFXWJIQR-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1[S-] ZINC001185836443 1387810878 /nfs/dbraw/zinc/81/08/78/1387810878.db2.gz IYSCIQWJGGWPBV-UHFFFAOYSA-N -2 3 327.402 3.232 20 0 EGADHL O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1ccc(F)cc1[O-] ZINC001189524800 1367044084 /nfs/dbraw/zinc/04/40/84/1367044084.db2.gz WXLOLMSZNXKZIK-UHFFFAOYSA-N -2 3 349.305 3.492 20 0 EGADHL O=C([O-])CCc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001213621333 1372936370 /nfs/dbraw/zinc/93/63/70/1372936370.db2.gz SLJDIPYWDUOZGM-UHFFFAOYSA-N -2 3 337.173 3.311 20 0 EGADHL Cc1c2ccc(F)cc2sc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001156702600 1380613637 /nfs/dbraw/zinc/61/36/37/1380613637.db2.gz BCHMTXYAPXAIMR-UHFFFAOYSA-N -2 3 345.332 3.037 20 0 EGADHL CC(C)[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824191484 1426545888 /nfs/dbraw/zinc/54/58/88/1426545888.db2.gz FWNMCTOCUDFPRQ-JTQLQIEISA-N -2 3 342.428 3.221 20 0 EGADHL CC(C)[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824191484 1426545891 /nfs/dbraw/zinc/54/58/91/1426545891.db2.gz FWNMCTOCUDFPRQ-JTQLQIEISA-N -2 3 342.428 3.221 20 0 EGADHL CC(C)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001573567042 959294282 /nfs/dbraw/zinc/29/42/82/959294282.db2.gz QYMVOWFEINHONK-GOSISDBHSA-N -2 3 339.391 3.340 20 0 EGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000317176287 970334376 /nfs/dbraw/zinc/33/43/76/970334376.db2.gz PKGDQGSZEWHTRP-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000396467497 972896364 /nfs/dbraw/zinc/89/63/64/972896364.db2.gz WRLYJTLOMGSIKZ-CYBMUJFWSA-N -2 3 333.409 3.292 20 0 EGADHL CC(F)(F)c1ccccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001592943719 980015394 /nfs/dbraw/zinc/01/53/94/980015394.db2.gz AVNMDUJQGCBYRY-UHFFFAOYSA-N -2 3 347.383 3.185 20 0 EGADHL C[C@@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC[C@H]1C(=O)[O-] ZINC000909535030 981534511 /nfs/dbraw/zinc/53/45/11/981534511.db2.gz VRGIXRDAPWLTPR-SCLBCKFNSA-N -2 3 337.391 3.004 20 0 EGADHL O=C([O-])C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000910564826 981991783 /nfs/dbraw/zinc/99/17/83/981991783.db2.gz PKXBGJMZUKDZJV-MRXNPFEDSA-N -2 3 327.380 3.309 20 0 EGADHL O=C([O-])[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C1CCCCCC1 ZINC000923177296 982827567 /nfs/dbraw/zinc/82/75/67/982827567.db2.gz NIWBFQTXTOREKF-AWEZNQCLSA-N -2 3 339.819 3.447 20 0 EGADHL CC(C)(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001589729073 987940075 /nfs/dbraw/zinc/94/00/75/987940075.db2.gz RXKVWKBVTUPIOQ-RYUDHWBXSA-N -2 3 343.445 3.251 20 0 EGADHL CCc1cccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1[O-] ZINC001597576029 988364225 /nfs/dbraw/zinc/36/42/25/988364225.db2.gz HUVZMDKTCNYQCV-UHFFFAOYSA-N -2 3 335.743 3.264 20 0 EGADHL CC1(C)CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001593853135 996630091 /nfs/dbraw/zinc/63/00/91/996630091.db2.gz ICEMAXDRDCQEEW-UHFFFAOYSA-N -2 3 343.445 3.109 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000318601455 154159940 /nfs/dbraw/zinc/15/99/40/154159940.db2.gz VRCJXGCRIPHWEI-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1nc(C=Cc2cnc(C3CCC3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107579 156355067 /nfs/dbraw/zinc/35/50/67/156355067.db2.gz KEUSTGQRBRWJHG-WAYWQWQTSA-N -2 3 331.397 3.012 20 0 EGADHL Cc1nc(C=Cc2ccc(OCC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349115446 156357618 /nfs/dbraw/zinc/35/76/18/156357618.db2.gz XSRPCDGXMDKRLW-TWGQIWQCSA-N -2 3 342.395 3.323 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000181773792 275209301 /nfs/dbraw/zinc/20/93/01/275209301.db2.gz KHFRFWIJUSFDLO-ZDUSSCGKSA-N -2 3 333.409 3.374 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000538266453 314235894 /nfs/dbraw/zinc/23/58/94/314235894.db2.gz NUGGPJOFPCHXKX-UHFFFAOYSA-N -2 3 327.789 3.163 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000572361021 317328425 /nfs/dbraw/zinc/32/84/25/317328425.db2.gz YMCRLYDIBBHHOU-CQSZACIVSA-N -2 3 343.445 3.070 20 0 EGADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315402030 456606178 /nfs/dbraw/zinc/60/61/78/456606178.db2.gz GLXRRBGNETUKJC-NWDGAFQWSA-N -2 3 345.486 3.330 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(F)c1 ZINC000013345964 453461134 /nfs/dbraw/zinc/46/11/34/453461134.db2.gz CYXXWEGTXGKXIN-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)[O-] ZINC000152918677 454741659 /nfs/dbraw/zinc/74/16/59/454741659.db2.gz XOOKHUCQBRANLL-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2CSC)c1 ZINC000353037031 456454334 /nfs/dbraw/zinc/45/43/34/456454334.db2.gz RQBLLOCNBQTPHS-UHFFFAOYSA-N -2 3 339.438 3.065 20 0 EGADHL CCN=c1[n-]c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cs1 ZINC000361323422 457693238 /nfs/dbraw/zinc/69/32/38/457693238.db2.gz FVTDSTXCCAQTPW-UHFFFAOYSA-N -2 3 332.212 3.262 20 0 EGADHL CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427311580 457972271 /nfs/dbraw/zinc/97/22/71/457972271.db2.gz BKLZSYWQUWFTNA-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1O ZINC000471133430 458680895 /nfs/dbraw/zinc/68/08/95/458680895.db2.gz ODJYNNLFYZBPLU-UHFFFAOYSA-N -2 3 349.408 3.125 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc(C)c1F ZINC000484527228 459418271 /nfs/dbraw/zinc/41/82/71/459418271.db2.gz AUSDVPHMVVLQOP-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1C(C)(C)C ZINC000637796424 461722275 /nfs/dbraw/zinc/72/22/75/461722275.db2.gz WUYCZICUQWJTIG-SOFGYWHQSA-N -2 3 328.368 3.357 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000656620790 461809709 /nfs/dbraw/zinc/80/97/09/461809709.db2.gz HSIKIBDXELGHGF-OAHLLOKOSA-N -2 3 347.864 3.383 20 0 EGADHL CSc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1 ZINC000675219440 548874828 /nfs/dbraw/zinc/87/48/28/548874828.db2.gz BBFGJRIUSHYEGZ-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1ccc([O-])c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000738637662 575002504 /nfs/dbraw/zinc/00/25/04/575002504.db2.gz YDWGRDWJMDHZSH-UHFFFAOYSA-N -2 3 331.393 3.271 20 0 EGADHL Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1[O-] ZINC000738693749 575194741 /nfs/dbraw/zinc/19/47/41/575194741.db2.gz YOFMBUAWJSTNMX-UHFFFAOYSA-N -2 3 337.278 3.253 20 0 EGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000736984547 576070977 /nfs/dbraw/zinc/07/09/77/576070977.db2.gz MEVWMFSJPXMQQM-GFCCVEGCSA-N -2 3 331.434 3.251 20 0 EGADHL Cc1ccc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c([O-])c1C ZINC000738514875 576333206 /nfs/dbraw/zinc/33/32/06/576333206.db2.gz LBBTWAKVUQDMMS-UHFFFAOYSA-N -2 3 328.368 3.071 20 0 EGADHL O=C([O-])NCc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000739990975 576528849 /nfs/dbraw/zinc/52/88/49/576528849.db2.gz GNMYMBZFQFJUQV-UHFFFAOYSA-N -2 3 340.379 3.291 20 0 EGADHL O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Cl)cc1 ZINC000776651022 601583949 /nfs/dbraw/zinc/58/39/49/601583949.db2.gz TZAMSGMYFKMJCO-CYBMUJFWSA-N -2 3 339.725 3.374 20 0 EGADHL O=C([O-])c1sccc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000833347443 601806225 /nfs/dbraw/zinc/80/62/25/601806225.db2.gz DSHWZHLRXJJOAN-UHFFFAOYSA-N -2 3 345.420 3.247 20 0 EGADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000833741207 605126411 /nfs/dbraw/zinc/12/64/11/605126411.db2.gz BQZNJKKAMGMHTN-UHFFFAOYSA-N -2 3 349.433 3.484 20 0 EGADHL O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1ncccc1[O-] ZINC001184114805 1387394976 /nfs/dbraw/zinc/39/49/76/1387394976.db2.gz LLHQDJVQNXCWGW-UHFFFAOYSA-N -2 3 346.770 3.001 20 0 EGADHL CCOC(=O)N=C([S-])Nc1ccc([C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001195491135 1368444649 /nfs/dbraw/zinc/44/46/49/1368444649.db2.gz RZKDZVKRKMTIIK-GFCCVEGCSA-N -2 3 338.429 3.344 20 0 EGADHL O=S(=O)([N-]c1ccc2[n-]c(=S)sc2c1)c1ccc(O)cc1 ZINC001195795474 1368492039 /nfs/dbraw/zinc/49/20/39/1368492039.db2.gz BGTQAHXGTLUZSZ-UHFFFAOYSA-N -2 3 338.435 3.091 20 0 EGADHL O=S(=O)(Nc1ccc2[n-]c(=S)sc2c1)c1ccc([O-])cc1 ZINC001195795474 1368492041 /nfs/dbraw/zinc/49/20/41/1368492041.db2.gz BGTQAHXGTLUZSZ-UHFFFAOYSA-N -2 3 338.435 3.091 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccccc1Oc1ccccc1 ZINC001198444022 1369034163 /nfs/dbraw/zinc/03/41/63/1369034163.db2.gz XIZVMDUNKIJELG-UHFFFAOYSA-N -2 3 342.376 3.380 20 0 EGADHL CSc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1 ZINC001198789660 1369115014 /nfs/dbraw/zinc/11/50/14/1369115014.db2.gz HUHXDVPWBRDAOV-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL O=C([O-])c1cc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1 ZINC001215612056 1373217368 /nfs/dbraw/zinc/21/73/68/1373217368.db2.gz LHGSUPOIUYZZKK-UHFFFAOYSA-N -2 3 331.278 3.298 20 0 EGADHL Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3nc(Br)[n-]c32)cc1 ZINC001227595613 1375449852 /nfs/dbraw/zinc/44/98/52/1375449852.db2.gz BDIXRMSAERAVSN-MRVPVSSYSA-N -2 3 349.188 3.269 20 0 EGADHL COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)ccc1C(=O)[O-] ZINC001174684515 1385134146 /nfs/dbraw/zinc/13/41/46/1385134146.db2.gz RGYWJIUDWBMGPA-UHFFFAOYSA-N -2 3 325.324 3.028 20 0 EGADHL O=S(=O)([O-])c1ccc(Nc2c(F)cc([O-])cc2F)c(Cl)c1 ZINC001175099766 1385194707 /nfs/dbraw/zinc/19/47/07/1385194707.db2.gz RWUODUFITNKPJV-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL CC(C)Cc1ccc([C@@H](C)C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001180904245 1386894946 /nfs/dbraw/zinc/89/49/46/1386894946.db2.gz BWGTUDOTVQNNHF-CQSZACIVSA-N -2 3 341.388 3.063 20 0 EGADHL CCC1CCC(NC(=O)c2cc([O-])ccc2Cl)(C(=O)[O-])CC1 ZINC000320135324 939123208 /nfs/dbraw/zinc/12/32/08/939123208.db2.gz UCZKKTQTRHNFOG-UHFFFAOYSA-N -2 3 325.792 3.199 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1C(=O)[O-] ZINC000324333225 971109359 /nfs/dbraw/zinc/10/93/59/971109359.db2.gz KOWBLZFEWWQNFF-UHFFFAOYSA-N -2 3 342.376 3.042 20 0 EGADHL O=C([O-])c1cccc(CNCc2cccc([O-])c2Br)c1 ZINC001602438819 971199527 /nfs/dbraw/zinc/19/95/27/971199527.db2.gz RSIWBNYXPJHFJG-UHFFFAOYSA-N -2 3 336.185 3.143 20 0 EGADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259224200 960690921 /nfs/dbraw/zinc/69/09/21/960690921.db2.gz WFOROVJBBRHRMM-LBPRGKRZSA-N -2 3 349.811 3.034 20 0 EGADHL CCC(CC)(CCOC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)[O-] ZINC001595059693 979309531 /nfs/dbraw/zinc/30/95/31/979309531.db2.gz LFESZICDNIAQOD-UHFFFAOYSA-N -2 3 329.780 3.066 20 0 EGADHL CCC(CC)(CC(=O)[O-])NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909376867 981477036 /nfs/dbraw/zinc/47/70/36/981477036.db2.gz UEDFZWWFBIUXEH-UHFFFAOYSA-N -2 3 333.306 3.174 20 0 EGADHL C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC001594503486 985698551 /nfs/dbraw/zinc/69/85/51/985698551.db2.gz ZDIZRHVCGWXHPV-ZDMBXUJBSA-N -2 3 346.210 3.162 20 0 EGADHL C[C@H](C(=O)[O-])c1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC001589540233 987241799 /nfs/dbraw/zinc/24/17/99/987241799.db2.gz SJSICRHVVJHGIH-QMMMGPOBSA-N -2 3 341.289 3.001 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001599819672 988489879 /nfs/dbraw/zinc/48/98/79/988489879.db2.gz BUNFOWKZYGAJNC-MRXNPFEDSA-N -2 3 345.420 3.287 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC001599820385 988502942 /nfs/dbraw/zinc/50/29/42/988502942.db2.gz XBSDOXSRSLRCMW-CQSZACIVSA-N -2 3 349.383 3.199 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001599598722 993784788 /nfs/dbraw/zinc/78/47/88/993784788.db2.gz VUQTXYVMXGRLGQ-UHFFFAOYSA-N -2 3 339.706 3.144 20 0 EGADHL COc1cc(-c2nc3ccc(C(=O)[O-])cc3n2C)cc(Cl)c1[O-] ZINC001599347072 998025936 /nfs/dbraw/zinc/02/59/36/998025936.db2.gz QAIYWQJIGCVGHO-UHFFFAOYSA-N -2 3 332.743 3.306 20 0 EGADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000336883596 154229857 /nfs/dbraw/zinc/22/98/57/154229857.db2.gz ZMWQCLZFRGFBBA-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCCOc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000349113127 156356602 /nfs/dbraw/zinc/35/66/02/156356602.db2.gz QDOBZDPEYXSIHL-FPLPWBNLSA-N -2 3 328.368 3.077 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1F ZINC000180016405 265394426 /nfs/dbraw/zinc/39/44/26/265394426.db2.gz HKVOVYUQAJPJFK-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000320383804 308767229 /nfs/dbraw/zinc/76/72/29/308767229.db2.gz BTBNEIWIFQPNLF-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C ZINC000391672732 308901633 /nfs/dbraw/zinc/90/16/33/308901633.db2.gz WHLVAZXXARZAHE-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1cc(C)c(C(=O)[O-])cc1C=Cc1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000515081799 312264723 /nfs/dbraw/zinc/26/47/23/312264723.db2.gz CPSOERXCYLULRN-ARJAWSKDSA-N -2 3 347.374 3.317 20 0 EGADHL O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cccc([O-])c1F ZINC000551948203 315181094 /nfs/dbraw/zinc/18/10/94/315181094.db2.gz AGPLXKNADNOYFX-UHFFFAOYSA-N -2 3 329.780 3.169 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC000551951176 315181678 /nfs/dbraw/zinc/18/16/78/315181678.db2.gz ONPWKUJMVKYSJX-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000058518882 454211252 /nfs/dbraw/zinc/21/12/52/454211252.db2.gz BVGAGJNDEIAQBD-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000183002387 455207575 /nfs/dbraw/zinc/20/75/75/455207575.db2.gz FEVMDYACRJDHIR-UHFFFAOYSA-N -2 3 338.157 3.127 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000323842046 456657786 /nfs/dbraw/zinc/65/77/86/456657786.db2.gz WFWAERBTDRMGQF-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1F ZINC000326965642 456702603 /nfs/dbraw/zinc/70/26/03/456702603.db2.gz FEXLZQZYVFMSEZ-UHFFFAOYSA-N -2 3 345.351 3.478 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000342786052 457527579 /nfs/dbraw/zinc/52/75/79/457527579.db2.gz UVSXYPGNAVQPBC-UHFFFAOYSA-N -2 3 344.392 3.058 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCC(=O)[O-])c2)CC)n1 ZINC000435339086 458116908 /nfs/dbraw/zinc/11/69/08/458116908.db2.gz OCYFIESGFPUGPB-ZROIWOOFSA-N -2 3 342.395 3.136 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436650704 458353032 /nfs/dbraw/zinc/35/30/32/458353032.db2.gz ZZNOLLXGALLRKZ-UHFFFAOYSA-N -2 3 329.352 3.260 20 0 EGADHL CC(C)(CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000424235282 458589544 /nfs/dbraw/zinc/58/95/44/458589544.db2.gz ROBOCMMTPYRCTI-UHFFFAOYSA-N -2 3 341.820 3.022 20 0 EGADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c(F)ccc([O-])c1F ZINC000561950243 459495904 /nfs/dbraw/zinc/49/59/04/459495904.db2.gz TYWCZYCZWUDYHS-UHFFFAOYSA-N -2 3 331.278 3.018 20 0 EGADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000338126642 534892746 /nfs/dbraw/zinc/89/27/46/534892746.db2.gz ZCUBAZOGXWDPRR-UHFFFAOYSA-N -2 3 347.392 3.005 20 0 EGADHL Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c([O-])c1 ZINC000738513526 576333198 /nfs/dbraw/zinc/33/31/98/576333198.db2.gz PWXVPVBMCSQFAH-UHFFFAOYSA-N -2 3 337.278 3.253 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3C(=O)[O-])[n-]n2)o1 ZINC000738640792 576345082 /nfs/dbraw/zinc/34/50/82/576345082.db2.gz MWAMTDNNMGHQKZ-UHFFFAOYSA-N -2 3 326.308 3.204 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Oc3ccc(C)cc3C(=O)[O-])n[n-]2)o1 ZINC000738640792 576345084 /nfs/dbraw/zinc/34/50/84/576345084.db2.gz MWAMTDNNMGHQKZ-UHFFFAOYSA-N -2 3 326.308 3.204 20 0 EGADHL O=C([O-])Nc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1F ZINC000740008558 576531163 /nfs/dbraw/zinc/53/11/63/576531163.db2.gz QIWMBFHGGRFWTK-UHFFFAOYSA-N -2 3 330.275 3.151 20 0 EGADHL CCCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000390311135 601230302 /nfs/dbraw/zinc/23/03/02/601230302.db2.gz NNWGJUCPCBAQDR-SNVBAGLBSA-N -2 3 349.399 3.300 20 0 EGADHL CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324508374 601240298 /nfs/dbraw/zinc/24/02/98/601240298.db2.gz MUACIWCYCCBXTQ-SNVBAGLBSA-N -2 3 349.399 3.300 20 0 EGADHL Cc1cc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)ccc1[O-] ZINC000077166025 1292453644 /nfs/dbraw/zinc/45/36/44/1292453644.db2.gz ULDCCGBHZGRUGZ-FNORWQNLSA-N -2 3 326.348 3.450 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1C ZINC000391297927 1297641567 /nfs/dbraw/zinc/64/15/67/1297641567.db2.gz STWFXSVMOCSWFU-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC(=O)c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1[O-] ZINC000821101480 1319999690 /nfs/dbraw/zinc/99/96/90/1319999690.db2.gz DYQIKSWNQNFHNL-UHFFFAOYSA-N -2 3 343.404 3.324 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)cc1C(=O)[O-] ZINC001185310395 1387677883 /nfs/dbraw/zinc/67/78/83/1387677883.db2.gz HJZAWHMPQWUHMB-UHFFFAOYSA-N -2 3 347.392 3.072 20 0 EGADHL Cc1ccccc1-c1cccc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001190303457 1367222054 /nfs/dbraw/zinc/22/20/54/1367222054.db2.gz HPTFTLRMFFQITH-UHFFFAOYSA-N -2 3 347.351 3.350 20 0 EGADHL O=C([O-])c1cc(Nc2cc(Br)cc(F)c2[O-])cnc1F ZINC001215115647 1373171993 /nfs/dbraw/zinc/17/19/93/1373171993.db2.gz AZQHBPPMIWNOBR-UHFFFAOYSA-N -2 3 345.099 3.270 20 0 EGADHL [S-]c1[n-]c(O[C@H]2CCCc3c(Cl)ccnc32)nc2ncnc1-2 ZINC001226781369 1375332602 /nfs/dbraw/zinc/33/26/02/1375332602.db2.gz FSOVFLYFAJIMJO-VIFPVBQESA-N -2 3 333.804 3.146 20 0 EGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001189229778 1388488755 /nfs/dbraw/zinc/48/87/55/1388488755.db2.gz VUNFKHSQELFITP-UHFFFAOYSA-N -2 3 343.763 3.188 20 0 EGADHL COc1cc(Nc2ncc(Br)cc2[O-])ccc1C(=O)[O-] ZINC001174681382 1385133646 /nfs/dbraw/zinc/13/36/46/1385133646.db2.gz QUMXAUACIOALNF-UHFFFAOYSA-N -2 3 339.145 3.000 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1C(=O)[O-] ZINC000326501418 971299011 /nfs/dbraw/zinc/29/90/11/971299011.db2.gz IGFUKAQHCKESBK-UHFFFAOYSA-N -2 3 342.376 3.042 20 0 EGADHL O=C([O-])[C@@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000315801036 963936654 /nfs/dbraw/zinc/93/66/54/963936654.db2.gz DLGSHVJYKQEQHO-AWEZNQCLSA-N -2 3 336.185 3.070 20 0 EGADHL CCC1(CC)CCC([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001595374778 980888283 /nfs/dbraw/zinc/88/82/83/980888283.db2.gz UVOJGLPJRZFBNE-UHFFFAOYSA-N -2 3 343.445 3.314 20 0 EGADHL CCC1CCC(NC(=O)c2cc(SC)ccc2[O-])(C(=O)[O-])CC1 ZINC001595424638 981043034 /nfs/dbraw/zinc/04/30/34/981043034.db2.gz IDQQGCCKGVTYTA-UHFFFAOYSA-N -2 3 337.441 3.268 20 0 EGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000342970264 141153921 /nfs/dbraw/zinc/15/39/21/141153921.db2.gz HSSXTPUBBXDKHZ-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL COc1ccc([O-])c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000350826144 141268794 /nfs/dbraw/zinc/26/87/94/141268794.db2.gz BKTMYELKNDNYPG-UHFFFAOYSA-N -2 3 341.816 3.039 20 0 EGADHL O=C(N=c1nc(SCc2ccccc2)[n-]s1)[N-]OCC1CC1 ZINC000292574692 154018413 /nfs/dbraw/zinc/01/84/13/154018413.db2.gz BXHFJGLOXXHFBH-UHFFFAOYSA-N -2 3 336.442 3.294 20 0 EGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000319705669 154161973 /nfs/dbraw/zinc/16/19/73/154161973.db2.gz UFPCRHDTBMLPSA-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL C[C@@H](Oc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1)C(=O)[O-] ZINC000414078030 309059570 /nfs/dbraw/zinc/05/95/70/309059570.db2.gz QQSZFZHVIHIBQL-UIJKISKDSA-N -2 3 326.352 3.082 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000071415417 454206371 /nfs/dbraw/zinc/20/63/71/454206371.db2.gz GWAYKPSWEGYUPO-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000031668291 453851668 /nfs/dbraw/zinc/85/16/68/453851668.db2.gz NINUAILLDGNJAJ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C ZINC000032589623 453878113 /nfs/dbraw/zinc/87/81/13/453878113.db2.gz LNIDXSVRGCGEGH-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000045946822 454199605 /nfs/dbraw/zinc/19/96/05/454199605.db2.gz PQAQNVQPEPRYPT-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000065844618 454630558 /nfs/dbraw/zinc/63/05/58/454630558.db2.gz RNLNQVNSUVZEJB-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1C(F)(F)F ZINC000127886385 455006563 /nfs/dbraw/zinc/00/65/63/455006563.db2.gz RTAUMSGQGUOVBF-UHFFFAOYSA-N -2 3 335.278 3.351 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000156257591 455098065 /nfs/dbraw/zinc/09/80/65/455098065.db2.gz NPSFYMIBNZRMPH-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c1 ZINC000184908822 455470110 /nfs/dbraw/zinc/47/01/10/455470110.db2.gz YTGXAVPRGJRDNS-UHFFFAOYSA-N -2 3 347.417 3.078 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(C)c1 ZINC000323904748 456657819 /nfs/dbraw/zinc/65/78/19/456657819.db2.gz RDTYXSIHYFETMK-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1 ZINC000324824721 456674061 /nfs/dbraw/zinc/67/40/61/456674061.db2.gz XIXNTNRPIRMGNJ-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CCSc1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000348634854 456791001 /nfs/dbraw/zinc/79/10/01/456791001.db2.gz MQLPTZUOUGXXPU-UHFFFAOYSA-N -2 3 335.332 3.025 20 0 EGADHL Cc1nc(C=Cc2ccccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000347386004 457394237 /nfs/dbraw/zinc/39/42/37/457394237.db2.gz BASKEDOGYKOKAQ-SREVYHEPSA-N -2 3 349.184 3.051 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000392167279 457457310 /nfs/dbraw/zinc/45/73/10/457457310.db2.gz GKJWUJAHBXMGHC-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1F ZINC000427301518 457972310 /nfs/dbraw/zinc/97/23/10/457972310.db2.gz XYZYRLDZIJDRGW-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc(C)c1F ZINC000427344836 457976765 /nfs/dbraw/zinc/97/67/65/457976765.db2.gz KVCOIIUVVXWIBX-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc(OC)c1[O-] ZINC000445448135 458051880 /nfs/dbraw/zinc/05/18/80/458051880.db2.gz QQWGJTKBDDPLSJ-UHFFFAOYSA-N -2 3 348.742 3.485 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447278690 458278608 /nfs/dbraw/zinc/27/86/08/458278608.db2.gz OJLUGRUYJNQIPX-UHFFFAOYSA-N -2 3 333.409 3.469 20 0 EGADHL COc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c([O-])c1 ZINC000436603042 458342969 /nfs/dbraw/zinc/34/29/69/458342969.db2.gz MAXLPLTXRRTYJT-UHFFFAOYSA-N -2 3 338.157 3.121 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461331258 458555006 /nfs/dbraw/zinc/55/50/06/458555006.db2.gz KOXGCMGNNSZEKS-UHFFFAOYSA-N -2 3 331.393 3.453 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442236549 458999554 /nfs/dbraw/zinc/99/95/54/458999554.db2.gz UTQWDRGAVCHNJK-UHFFFAOYSA-N -2 3 349.742 3.133 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1 ZINC000479260239 459130990 /nfs/dbraw/zinc/13/09/90/459130990.db2.gz ZPRFSFKLLSWACA-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL C[C@@](CC(=O)Nc1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000013469748 546515690 /nfs/dbraw/zinc/51/56/90/546515690.db2.gz PEXMGWNSEJAHNJ-KRWDZBQOSA-N -2 3 333.771 3.417 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC000507596775 548009638 /nfs/dbraw/zinc/00/96/38/548009638.db2.gz PHPDLFBHEFKVPE-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000678110304 549398965 /nfs/dbraw/zinc/39/89/65/549398965.db2.gz RHGBOZBMNLMXDW-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3ccc([O-])c(F)c3)c12 ZINC000738364672 576318292 /nfs/dbraw/zinc/31/82/92/576318292.db2.gz VPQVRDOLJIJFCL-UHFFFAOYSA-N -2 3 347.371 3.463 20 0 EGADHL O=C([O-])c1sccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000740288783 576574390 /nfs/dbraw/zinc/57/43/90/576574390.db2.gz HJONPKACZAZBJH-UHFFFAOYSA-N -2 3 335.406 3.175 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)cc1C(=O)[O-] ZINC000833029004 601223849 /nfs/dbraw/zinc/22/38/49/601223849.db2.gz WKVRSWUBQJMBIM-HNNXBMFYSA-N -2 3 349.408 3.106 20 0 EGADHL O=C([O-])c1cccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC000833783447 604643270 /nfs/dbraw/zinc/64/32/70/604643270.db2.gz GUWVGEXRHMFIOF-UHFFFAOYSA-N -2 3 341.260 3.071 20 0 EGADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000833741428 605126471 /nfs/dbraw/zinc/12/64/71/605126471.db2.gz MJMLGJOJGLUGAA-VOTSOKGWSA-N -2 3 341.385 3.306 20 0 EGADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000319952248 1297160035 /nfs/dbraw/zinc/16/00/35/1297160035.db2.gz XFTKRAJUNOAWOU-JTQLQIEISA-N -2 3 325.792 3.009 20 0 EGADHL CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ncccc2[O-])c([O-])c1 ZINC000783646652 1305122112 /nfs/dbraw/zinc/12/21/12/1305122112.db2.gz ZYCJFIRQRKIIOA-UHFFFAOYSA-N -2 3 345.355 3.092 20 0 EGADHL Cc1nc(C=Cc2cccc(OC(C)(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000865224620 1329677542 /nfs/dbraw/zinc/67/75/42/1329677542.db2.gz TWICXKCXCPDQPC-CMDGGOBGSA-N -2 3 342.395 3.465 20 0 EGADHL CCCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC001185314982 1387679777 /nfs/dbraw/zinc/67/97/77/1387679777.db2.gz SJUVKKXEXBKKED-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1[n-]nnc1C(F)(F)F ZINC001187766103 1388157843 /nfs/dbraw/zinc/15/78/43/1388157843.db2.gz GNVIUFWUIWZOKV-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1nn[n-]c1C(F)(F)F ZINC001187766103 1388157846 /nfs/dbraw/zinc/15/78/46/1388157846.db2.gz GNVIUFWUIWZOKV-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL CCC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CCCC1 ZINC000382556813 971822433 /nfs/dbraw/zinc/82/24/33/971822433.db2.gz IWMFKDDKCIHXCX-UHFFFAOYSA-N -2 3 349.811 3.178 20 0 EGADHL CC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CCCC1 ZINC000387450459 972123723 /nfs/dbraw/zinc/12/37/23/972123723.db2.gz QIOXULJLHHUBLD-UHFFFAOYSA-N -2 3 349.811 3.036 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000391500022 972341590 /nfs/dbraw/zinc/34/15/90/972341590.db2.gz KEISWBQZNGLPQH-UHFFFAOYSA-N -2 3 333.409 3.121 20 0 EGADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001259223830 960688967 /nfs/dbraw/zinc/68/89/67/960688967.db2.gz LSRFJFQGPUDJNX-KYZUINATSA-N -2 3 349.811 3.034 20 0 EGADHL CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001573942800 961619058 /nfs/dbraw/zinc/61/90/58/961619058.db2.gz ODNOYMILSOUNPL-QMMMGPOBSA-N -2 3 326.126 3.065 20 0 EGADHL CC(C)c1ocnc1C(=O)[N-]c1cccnc1SCCC(=O)[O-] ZINC001592102644 976873558 /nfs/dbraw/zinc/87/35/58/976873558.db2.gz OCRJEDQJLLHDGV-UHFFFAOYSA-N -2 3 335.385 3.012 20 0 EGADHL CC[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)[C@H](C)C(=O)[O-] ZINC001595351727 980660624 /nfs/dbraw/zinc/66/06/24/980660624.db2.gz KFQNBSVDAXHJON-XVKPBYJWSA-N -2 3 326.299 3.157 20 0 EGADHL O=C([O-])[C@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000909579235 981547271 /nfs/dbraw/zinc/54/72/71/981547271.db2.gz STPKDABXHJTROX-AWEZNQCLSA-N -2 3 343.354 3.069 20 0 EGADHL CCC(C)(C)C1CCC([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001594796809 981881657 /nfs/dbraw/zinc/88/16/57/981881657.db2.gz MRGLAQNHVSWUCA-UHFFFAOYSA-N -2 3 343.445 3.251 20 0 EGADHL CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC001597500058 988053234 /nfs/dbraw/zinc/05/32/34/988053234.db2.gz DMGOKPGEWWMSHT-INIZCTEOSA-N -2 3 341.407 3.161 20 0 EGADHL CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c([O-])c1 ZINC001597500410 988056797 /nfs/dbraw/zinc/05/67/97/988056797.db2.gz LTVWBHGZWVGMKS-QGZVFWFLSA-N -2 3 327.380 3.127 20 0 EGADHL COc1ccc([O-])c(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c1 ZINC001599598467 993780917 /nfs/dbraw/zinc/78/09/17/993780917.db2.gz QBFYCEFIPARGGO-UHFFFAOYSA-N -2 3 341.363 3.082 20 0 EGADHL C[C@](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])(C(=O)[O-])C1CC1 ZINC001593154509 993963530 /nfs/dbraw/zinc/96/35/30/993963530.db2.gz DZWJNKOFEFRALS-LJQANCHMSA-N -2 3 341.363 3.168 20 0 EGADHL C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001593686365 996122682 /nfs/dbraw/zinc/12/26/82/996122682.db2.gz NXZVJYYKWCVORT-LBPRGKRZSA-N -2 3 343.379 3.339 20 0 EGADHL CCOc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc(Cl)c1[O-] ZINC000009647824 211112671 /nfs/dbraw/zinc/11/26/71/211112671.db2.gz FFMGSRHKULZQBD-QPEQYQDCSA-N -2 3 343.766 3.255 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000314746161 154156732 /nfs/dbraw/zinc/15/67/32/154156732.db2.gz IGACHNCAKHJYET-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000325039032 154176514 /nfs/dbraw/zinc/17/65/14/154176514.db2.gz OXVGCCNEXJMKHR-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1nc(C=Cc2ccc(OCC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349115442 156357315 /nfs/dbraw/zinc/35/73/15/156357315.db2.gz XSRPCDGXMDKRLW-RMKNXTFCSA-N -2 3 342.395 3.323 20 0 EGADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000350869504 165077084 /nfs/dbraw/zinc/07/70/84/165077084.db2.gz LBGDUEBIALWHSI-UHFFFAOYSA-N -2 3 349.408 3.031 20 0 EGADHL O=C(Nc1ccc(Cl)cc1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000355309107 166160410 /nfs/dbraw/zinc/16/04/10/166160410.db2.gz YMFYCOJIYCVEOV-UHFFFAOYSA-N -2 3 341.754 3.252 20 0 EGADHL O=C(Nc1ccc(Cl)cc1[O-])c1[n-]cnc1C(=O)c1ccccc1 ZINC000355309107 166160411 /nfs/dbraw/zinc/16/04/11/166160411.db2.gz YMFYCOJIYCVEOV-UHFFFAOYSA-N -2 3 341.754 3.252 20 0 EGADHL C[C@H](Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC000414074026 309059237 /nfs/dbraw/zinc/05/92/37/309059237.db2.gz MMZAFNYTFGQISZ-FOKSMMDQSA-N -2 3 326.352 3.082 20 0 EGADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000323190716 308768398 /nfs/dbraw/zinc/76/83/98/308768398.db2.gz HONNCRPEHPJIBG-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C(=O)[O-] ZINC000324012604 308769044 /nfs/dbraw/zinc/76/90/44/308769044.db2.gz JKOZCTOATIXPMX-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C(c1cccc(Br)c1[O-])N1CCCc2cccc([O-])c21 ZINC000537613938 314196259 /nfs/dbraw/zinc/19/62/59/314196259.db2.gz AKGYTWISDPPJME-UHFFFAOYSA-N -2 3 348.196 3.453 20 0 EGADHL O=C([O-])C1(CC(=O)Nc2cc(Cl)ccc2[O-])Cc2ccccc2C1 ZINC000237915409 455233074 /nfs/dbraw/zinc/23/30/74/455233074.db2.gz OPLMWOOVBPSMFX-UHFFFAOYSA-N -2 3 345.782 3.244 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1C ZINC000000386186 452578339 /nfs/dbraw/zinc/57/83/39/452578339.db2.gz DFDIUIQMSITAJB-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1Cl ZINC000013342224 453461087 /nfs/dbraw/zinc/46/10/87/453461087.db2.gz DQEBHEGKCLSINE-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000081936489 453918545 /nfs/dbraw/zinc/91/85/45/453918545.db2.gz RVCNJASINNYKHC-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000081936489 453918547 /nfs/dbraw/zinc/91/85/47/453918547.db2.gz RVCNJASINNYKHC-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c([O-])cc(Cl)cc1Cl ZINC000081936489 453918550 /nfs/dbraw/zinc/91/85/50/453918550.db2.gz RVCNJASINNYKHC-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000057177892 454109157 /nfs/dbraw/zinc/10/91/57/454109157.db2.gz MWAPHPQTCWRJSF-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000045947018 454198589 /nfs/dbraw/zinc/19/85/89/454198589.db2.gz KJWJGWLIECOKLU-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000045946446 454199390 /nfs/dbraw/zinc/19/93/90/454199390.db2.gz JUKJCEIVJPOVOA-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000071415418 454206139 /nfs/dbraw/zinc/20/61/39/454206139.db2.gz IHFROQJNKNUJNL-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000047454374 454374117 /nfs/dbraw/zinc/37/41/17/454374117.db2.gz ADHBUGHKXBXMNV-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320734224 456631132 /nfs/dbraw/zinc/63/11/32/456631132.db2.gz TYIJYGQOZFVLCD-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1C ZINC000354209282 457130975 /nfs/dbraw/zinc/13/09/75/457130975.db2.gz SVQUOMZWFFVZIV-UHFFFAOYSA-N -2 3 348.424 3.022 20 0 EGADHL Cc1nc(C=Cc2cscc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000357086950 457315343 /nfs/dbraw/zinc/31/53/43/457315343.db2.gz VBPXJQVDOGQHRV-IHWYPQMZSA-N -2 3 344.314 3.368 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(SC)ccc2C)c1 ZINC000342784847 457525658 /nfs/dbraw/zinc/52/56/58/457525658.db2.gz WRFXQWGPPVEJMK-UHFFFAOYSA-N -2 3 339.438 3.232 20 0 EGADHL COc1cccc2c(C(=O)Nc3cc(F)cc(Cl)c3[O-])[n-]nc21 ZINC000436983011 458416340 /nfs/dbraw/zinc/41/63/40/458416340.db2.gz ZARDUPYJXRCTLX-UHFFFAOYSA-N -2 3 335.722 3.322 20 0 EGADHL CCc1cc(=O)[n-]c(-c2ccc(NCC(CC)(CC)C(=O)[O-])nc2)n1 ZINC000424472354 458647506 /nfs/dbraw/zinc/64/75/06/458647506.db2.gz OWWHPXDTRQHROL-UHFFFAOYSA-N -2 3 344.415 3.110 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1[O-])C(C)C ZINC000647122374 461508323 /nfs/dbraw/zinc/50/83/23/461508323.db2.gz CAAZVAZVGTYXLC-OAHLLOKOSA-N -2 3 329.462 3.102 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)oc1C(=O)[O-] ZINC000663423871 461635821 /nfs/dbraw/zinc/63/58/21/461635821.db2.gz ZTXQPPHTDUUSEW-HNNXBMFYSA-N -2 3 349.408 3.106 20 0 EGADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccc(F)cc3)o2)[n-]c1=O ZINC000670369965 548202127 /nfs/dbraw/zinc/20/21/27/548202127.db2.gz NTMXDMGUMPEMRO-SOFGYWHQSA-N -2 3 326.283 3.450 20 0 EGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000740075306 576543550 /nfs/dbraw/zinc/54/35/50/576543550.db2.gz JAIZUMNDRLZMTJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000826462475 607466860 /nfs/dbraw/zinc/46/68/60/607466860.db2.gz ZDIFBYYYXOVDPP-BAQGIRSFSA-N -2 3 343.346 3.284 20 0 EGADHL O=C([O-])c1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000826462475 607466861 /nfs/dbraw/zinc/46/68/61/607466861.db2.gz ZDIFBYYYXOVDPP-BAQGIRSFSA-N -2 3 343.346 3.284 20 0 EGADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000828012841 602053371 /nfs/dbraw/zinc/05/33/71/602053371.db2.gz UHJLUYAOJOTFEU-IBGZPJMESA-N -2 3 341.363 3.121 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000232210052 602320504 /nfs/dbraw/zinc/32/05/04/602320504.db2.gz RSTXDFJTDLIKGU-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL Cc1cc([C@@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)oc1C(=O)[O-] ZINC000832877321 604561714 /nfs/dbraw/zinc/56/17/14/604561714.db2.gz XIFINYHECRTBBT-SECBINFHSA-N -2 3 330.296 3.187 20 0 EGADHL Cc1cc([C@@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)oc1C(=O)[O-] ZINC000832877321 604561715 /nfs/dbraw/zinc/56/17/15/604561715.db2.gz XIFINYHECRTBBT-SECBINFHSA-N -2 3 330.296 3.187 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cc(C)c(C(=O)[O-])o3)n[n-]2)o1 ZINC000832905516 604569607 /nfs/dbraw/zinc/56/96/07/604569607.db2.gz APHLKQLKBBVTLI-SNVBAGLBSA-N -2 3 344.323 3.496 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cc(C)c(C(=O)[O-])o3)[n-]n2)o1 ZINC000832905516 604569611 /nfs/dbraw/zinc/56/96/11/604569611.db2.gz APHLKQLKBBVTLI-SNVBAGLBSA-N -2 3 344.323 3.496 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc(C(=O)[O-])c1F ZINC000133044621 1293735348 /nfs/dbraw/zinc/73/53/48/1293735348.db2.gz BJGWUNJXBDAKLF-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1F ZINC000180016801 1294852379 /nfs/dbraw/zinc/85/23/79/1294852379.db2.gz MAURVHZYMAAENX-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)c1 ZINC000849248356 1322102033 /nfs/dbraw/zinc/10/20/33/1322102033.db2.gz QMQNAGLSRFGRKK-VURMDHGXSA-N -2 3 342.395 3.385 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001186187891 1387893139 /nfs/dbraw/zinc/89/31/39/1387893139.db2.gz BILYKQLUQTTYKY-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001192357814 1367762285 /nfs/dbraw/zinc/76/22/85/1367762285.db2.gz MBQQLDPWEVODCX-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL C=Cc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1 ZINC001192640328 1367839253 /nfs/dbraw/zinc/83/92/53/1367839253.db2.gz VSHVHKYSAXMJFG-UHFFFAOYSA-N -2 3 347.392 3.227 20 0 EGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195169395 1368392671 /nfs/dbraw/zinc/39/26/71/1368392671.db2.gz QULJSTCRECCSPR-UHFFFAOYSA-N -2 3 349.408 3.103 20 0 EGADHL Cc1c(Cl)c(-c2ccc(Cc3nnn[n-]3)cc2)ccc1C(=O)[O-] ZINC001236128526 1376935297 /nfs/dbraw/zinc/93/52/97/1376935297.db2.gz KRVMEEYQBMHGTH-UHFFFAOYSA-N -2 3 328.759 3.118 20 0 EGADHL Cc1c(Cl)c(-c2ccc(Cc3nn[n-]n3)cc2)ccc1C(=O)[O-] ZINC001236128526 1376935305 /nfs/dbraw/zinc/93/53/05/1376935305.db2.gz KRVMEEYQBMHGTH-UHFFFAOYSA-N -2 3 328.759 3.118 20 0 EGADHL O=C([O-])c1ccc(-c2ccc(-c3cncc(-c4nnn[n-]4)c3)cc2)cc1 ZINC001245668336 1377048288 /nfs/dbraw/zinc/04/82/88/1377048288.db2.gz YQZNVAVZIKIYDZ-UHFFFAOYSA-N -2 3 343.346 3.294 20 0 EGADHL O=C([O-])c1ccc(-c2ccc(-c3cncc(-c4nn[n-]n4)c3)cc2)cc1 ZINC001245668336 1377048289 /nfs/dbraw/zinc/04/82/89/1377048289.db2.gz YQZNVAVZIKIYDZ-UHFFFAOYSA-N -2 3 343.346 3.294 20 0 EGADHL O=C(Nc1cccc([O-])c1F)c1c[n-]c2c(Cl)cccc2c1=O ZINC001295128222 1382546822 /nfs/dbraw/zinc/54/68/22/1382546822.db2.gz LHFITRABMHHFIT-UHFFFAOYSA-N -2 3 332.718 3.279 20 0 EGADHL O=c1[n-]c(F)c(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC001175428193 1385285072 /nfs/dbraw/zinc/28/50/72/1385285072.db2.gz ILCPYKNMJJLNKM-UHFFFAOYSA-N -2 3 341.133 3.157 20 0 EGADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000833189134 955554550 /nfs/dbraw/zinc/55/45/50/955554550.db2.gz PVFBKVDHDIQSQI-CYBMUJFWSA-N -2 3 341.363 3.121 20 0 EGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)c(F)cc1F ZINC000047383477 957456399 /nfs/dbraw/zinc/45/63/99/957456399.db2.gz PUUBGDBWOHVGTJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])[C@H](NCc1cccc([O-])c1Br)c1ccccc1 ZINC000315801037 963936753 /nfs/dbraw/zinc/93/67/53/963936753.db2.gz DLGSHVJYKQEQHO-CQSZACIVSA-N -2 3 336.185 3.070 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c([O-])c1 ZINC001591941867 976462524 /nfs/dbraw/zinc/46/25/24/976462524.db2.gz HGJBPIHBQZGCGE-INIZCTEOSA-N -2 3 349.333 3.350 20 0 EGADHL C[C@H](CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC001592605423 978551974 /nfs/dbraw/zinc/55/19/74/978551974.db2.gz KIJFEIOIYHBQTR-GFCCVEGCSA-N -2 3 347.798 3.409 20 0 EGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCC[C@@H]21 ZINC000910248801 981821256 /nfs/dbraw/zinc/82/12/56/981821256.db2.gz SCSYMKPGRPEJKX-ZACQAIPSSA-N -2 3 339.391 3.261 20 0 EGADHL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)ccc1C ZINC001597482781 987982654 /nfs/dbraw/zinc/98/26/54/987982654.db2.gz ZYMDVJZJRBGNSG-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)c(C(=O)[O-])c1 ZINC001599589601 993660829 /nfs/dbraw/zinc/66/08/29/993660829.db2.gz KEUPQYBVEGBMNV-UHFFFAOYSA-N -2 3 347.342 3.200 20 0 EGADHL COC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])[n-]1 ZINC000344724412 144215828 /nfs/dbraw/zinc/21/58/28/144215828.db2.gz ZBFFYNVGPNQLAQ-UHFFFAOYSA-N -2 3 329.139 3.066 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)c1C ZINC000362123220 144359732 /nfs/dbraw/zinc/35/97/32/144359732.db2.gz DAUHMAOYKOAKFV-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000315811829 154156153 /nfs/dbraw/zinc/15/61/53/154156153.db2.gz JZMCOBSJANPZBZ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000325054474 154176748 /nfs/dbraw/zinc/17/67/48/154176748.db2.gz QMFMKDDIHBABCY-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000350968313 165087362 /nfs/dbraw/zinc/08/73/62/165087362.db2.gz AUSCROUDBIPGCE-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000033047665 301200259 /nfs/dbraw/zinc/20/02/59/301200259.db2.gz HZPNCKSFKHOALO-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)cc1F ZINC000319076174 308766828 /nfs/dbraw/zinc/76/68/28/308766828.db2.gz ZISHJBMVYSEGEB-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000567805540 316677204 /nfs/dbraw/zinc/67/72/04/316677204.db2.gz KEXZFMIBBCGEJV-INIZCTEOSA-N -2 3 349.408 3.188 20 0 EGADHL Cc1ccc(NC(=O)Cn2c(-c3cccs3)n[n-]c2=S)c([O-])c1 ZINC000012950225 453430816 /nfs/dbraw/zinc/43/08/16/453430816.db2.gz QTIRWJQZRKENCJ-UHFFFAOYSA-N -2 3 346.437 3.322 20 0 EGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000057123712 454103558 /nfs/dbraw/zinc/10/35/58/454103558.db2.gz PIDAFMNMTRIEBY-LBPRGKRZSA-N -2 3 349.408 3.363 20 0 EGADHL Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c([O-])c1 ZINC000044942681 454127654 /nfs/dbraw/zinc/12/76/54/454127654.db2.gz FSDOLELHBORQBW-UHFFFAOYSA-N -2 3 327.365 3.264 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C)c1C(=O)[O-] ZINC000156255314 455098159 /nfs/dbraw/zinc/09/81/59/455098159.db2.gz CNSYBASCGDFILJ-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000188934116 456174358 /nfs/dbraw/zinc/17/43/58/456174358.db2.gz CBJUJLTUXMQKAK-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1C(=O)[O-] ZINC000319661748 456622704 /nfs/dbraw/zinc/62/27/04/456622704.db2.gz QACKGMMOJYNZAY-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000325000205 456676070 /nfs/dbraw/zinc/67/60/70/456676070.db2.gz ZGJRMJJHYLAUEH-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)c1 ZINC000342280900 457209355 /nfs/dbraw/zinc/20/93/55/457209355.db2.gz OGGOQPSRIGBBJC-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)c([O-])c1 ZINC000578338665 459184508 /nfs/dbraw/zinc/18/45/08/459184508.db2.gz QZNVMAFPQMEONS-CYBMUJFWSA-N -2 3 332.327 3.454 20 0 EGADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3F)o2)[n-]c1=O ZINC000670369772 548202197 /nfs/dbraw/zinc/20/21/97/548202197.db2.gz AQXSIUSQNGUNPL-SOFGYWHQSA-N -2 3 326.283 3.450 20 0 EGADHL CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736975706 576068938 /nfs/dbraw/zinc/06/89/38/576068938.db2.gz VCCFKFVHPJTGRG-PWSUYJOCSA-N -2 3 331.459 3.084 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000740289960 576574347 /nfs/dbraw/zinc/57/43/47/576574347.db2.gz HVTUAVBRRPTZQR-AWEZNQCLSA-N -2 3 346.726 3.306 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000740289960 576574349 /nfs/dbraw/zinc/57/43/49/576574349.db2.gz HVTUAVBRRPTZQR-AWEZNQCLSA-N -2 3 346.726 3.306 20 0 EGADHL Cc1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000832898170 601321175 /nfs/dbraw/zinc/32/11/75/601321175.db2.gz DPXCKJRRSAXPAK-SREVYHEPSA-N -2 3 341.385 3.306 20 0 EGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000833294969 601855542 /nfs/dbraw/zinc/85/55/42/601855542.db2.gz PHDFBKUNUVQBPB-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1sc([N-]S(=O)(=O)/C=C\c2ccccc2)c(C(=O)[O-])c1C ZINC000833757971 605022604 /nfs/dbraw/zinc/02/26/04/605022604.db2.gz GDPGCTGDORRKHV-HJWRWDBZSA-N -2 3 337.422 3.476 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)ccnc1Cl ZINC000777937298 1304369156 /nfs/dbraw/zinc/36/91/56/1304369156.db2.gz PLPBRHREQSNKRI-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL Cc1ccc(C(=O)N2CCC[C@]2(Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000910104145 1318567102 /nfs/dbraw/zinc/56/71/02/1318567102.db2.gz UVHIIWCBCRZOES-FQEVSTJZSA-N -2 3 339.391 3.003 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)cc1C(=O)[O-] ZINC001184667315 1387506202 /nfs/dbraw/zinc/50/62/02/1387506202.db2.gz IXFMHDCAVYMNCJ-UHFFFAOYSA-N -2 3 346.408 3.157 20 0 EGADHL O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1ccc(Cl)cc1[O-] ZINC001189308501 1366983989 /nfs/dbraw/zinc/98/39/89/1366983989.db2.gz DXXOFYOVCZRFPA-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(Cl)cc1[O-] ZINC001189823019 1367114892 /nfs/dbraw/zinc/11/48/92/1367114892.db2.gz AVUWRVDSUNXAEM-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1cc(F)c([O-])cc1F ZINC001192873063 1367892668 /nfs/dbraw/zinc/89/26/68/1367892668.db2.gz ZYWFNRCADAJMOM-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL Nc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[S-] ZINC001193923613 1368148869 /nfs/dbraw/zinc/14/88/69/1368148869.db2.gz BPQJKZZRZUHPAJ-UHFFFAOYSA-N -2 3 348.371 3.377 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc2c(Cl)cccc2c1 ZINC001194216655 1368210483 /nfs/dbraw/zinc/21/04/83/1368210483.db2.gz HAMXYXUPFWZLIB-UHFFFAOYSA-N -2 3 334.784 3.395 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000325414730 971213260 /nfs/dbraw/zinc/21/32/60/971213260.db2.gz VBOWAPPFJINBLU-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL O=C([O-])c1c(F)ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1F ZINC000327882269 971431938 /nfs/dbraw/zinc/43/19/38/971431938.db2.gz ZTBVBVULLFLOKV-UHFFFAOYSA-N -2 3 344.273 3.169 20 0 EGADHL CC(C)(C)CC[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)[O-] ZINC001602860267 971714328 /nfs/dbraw/zinc/71/43/28/971714328.db2.gz YDVVLQCKTWRMPD-LLVKDONJSA-N -2 3 349.324 3.452 20 0 EGADHL Cc1ccc2[n-]cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c(=O)c2c1 ZINC001594385402 958655938 /nfs/dbraw/zinc/65/59/38/958655938.db2.gz KQTDZDRDYXRMAX-UHFFFAOYSA-N -2 3 336.347 3.095 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000391748417 972365493 /nfs/dbraw/zinc/36/54/93/972365493.db2.gz OCAJWLFPWVRCHQ-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C([O-])C1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCC1 ZINC001605757195 972418926 /nfs/dbraw/zinc/41/89/26/972418926.db2.gz ZUGQTXRWJXLEFE-UHFFFAOYSA-N -2 3 341.363 3.169 20 0 EGADHL CCCCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001595657221 982060782 /nfs/dbraw/zinc/06/07/82/982060782.db2.gz OJLZSRGUAAZWBH-UHFFFAOYSA-N -2 3 349.811 3.178 20 0 EGADHL CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC001597500060 988053335 /nfs/dbraw/zinc/05/33/35/988053335.db2.gz DMGOKPGEWWMSHT-MRXNPFEDSA-N -2 3 341.407 3.161 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000003337453 210012256 /nfs/dbraw/zinc/01/22/56/210012256.db2.gz QMAIWUVJDNEBLY-KPKJPENVSA-N -2 3 331.393 3.148 20 0 EGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000320712223 154165283 /nfs/dbraw/zinc/16/52/83/154165283.db2.gz PXVZTWVBMTXTAT-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)cc1C ZINC000350866626 165074752 /nfs/dbraw/zinc/07/47/52/165074752.db2.gz DIVYULUZPFNBBA-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)n1 ZINC000125577580 307557249 /nfs/dbraw/zinc/55/72/49/307557249.db2.gz JADLOBSROODPNL-UHFFFAOYSA-N -2 3 349.390 3.266 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C ZINC000471135565 310734125 /nfs/dbraw/zinc/73/41/25/310734125.db2.gz BZMUHRPSVWDOJT-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000532025102 313745259 /nfs/dbraw/zinc/74/52/59/313745259.db2.gz BPUQIJDFQWRQCX-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1Cl ZINC000538297759 314238302 /nfs/dbraw/zinc/23/83/02/314238302.db2.gz BQIADPCKPAETBY-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc(NC(=O)c2nn(-c3cc(C)ccc3F)cc2[O-])c([O-])c1 ZINC000539932138 314352368 /nfs/dbraw/zinc/35/23/68/314352368.db2.gz WDHHGADHUMHNNV-UHFFFAOYSA-N -2 3 341.342 3.292 20 0 EGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000548210247 314985578 /nfs/dbraw/zinc/98/55/78/314985578.db2.gz HGESRGKMYIJJTR-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(F)c(-c2cc(=NC(=O)c3c(F)ccc([O-])c3F)[nH][n-]2)c1 ZINC000564331198 316138449 /nfs/dbraw/zinc/13/84/49/316138449.db2.gz RVCANAQFKOPHSU-UHFFFAOYSA-N -2 3 347.296 3.182 20 0 EGADHL CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000564781068 316203867 /nfs/dbraw/zinc/20/38/67/316203867.db2.gz NSEVSIBMWZGQQE-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000231656851 456143420 /nfs/dbraw/zinc/14/34/20/456143420.db2.gz UTMSCYKSSRLONP-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000045946999 454199400 /nfs/dbraw/zinc/19/94/00/454199400.db2.gz VQCKDNKNEYGOMD-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000045945796 454199470 /nfs/dbraw/zinc/19/94/70/454199470.db2.gz VZOJQUBVJXDLQH-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000058519015 454211312 /nfs/dbraw/zinc/21/13/12/454211312.db2.gz QRPTYNPCXTWQON-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000047318070 454357128 /nfs/dbraw/zinc/35/71/28/454357128.db2.gz OVUVWKXRBZPGKG-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(C)c1C(=O)[O-] ZINC000156283484 455101036 /nfs/dbraw/zinc/10/10/36/455101036.db2.gz NHXCTRWHWOFZNB-UHFFFAOYSA-N -2 3 344.392 3.284 20 0 EGADHL CCC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000629297621 460716972 /nfs/dbraw/zinc/71/69/72/460716972.db2.gz XEKCJXJONZWBDQ-UHFFFAOYSA-N -2 3 331.459 3.285 20 0 EGADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000319737911 456623961 /nfs/dbraw/zinc/62/39/61/456623961.db2.gz WIRPDSBHZCWNAL-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000320760910 456631356 /nfs/dbraw/zinc/63/13/56/456631356.db2.gz XFOKWFNJKLIBQM-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000342620624 457408124 /nfs/dbraw/zinc/40/81/24/457408124.db2.gz KSQRFEQJNHKORG-UHFFFAOYSA-N -2 3 347.314 3.220 20 0 EGADHL C[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000390928041 457448814 /nfs/dbraw/zinc/44/88/14/457448814.db2.gz JTTCKFMVEZSTMS-LLVKDONJSA-N -2 3 337.372 3.069 20 0 EGADHL CCSc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000342778524 457520194 /nfs/dbraw/zinc/52/01/94/457520194.db2.gz IZDKOHVGCKITTB-UHFFFAOYSA-N -2 3 339.438 3.314 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc(C(=O)[O-])c1C ZINC000471120245 458679023 /nfs/dbraw/zinc/67/90/23/458679023.db2.gz GYNQTZLBNFMOEN-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000531364799 458906566 /nfs/dbraw/zinc/90/65/66/458906566.db2.gz FPKTVQBNSRXELT-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCOc1cc(CN2CCC(C)(C(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000647464285 461715493 /nfs/dbraw/zinc/71/54/93/461715493.db2.gz GXGOKSPSUJZVAJ-UHFFFAOYSA-N -2 3 327.808 3.131 20 0 EGADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000679185462 549652170 /nfs/dbraw/zinc/65/21/70/549652170.db2.gz QLUCYODDBBGXGL-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2[O-])cc1 ZINC000738203376 574930752 /nfs/dbraw/zinc/93/07/52/574930752.db2.gz VFWRQKYWNVTELG-OAHLLOKOSA-N -2 3 345.420 3.368 20 0 EGADHL CC(C)CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000736427003 575959069 /nfs/dbraw/zinc/95/90/69/575959069.db2.gz QCKCUDGNKRGDFJ-LBPRGKRZSA-N -2 3 331.434 3.107 20 0 EGADHL O=C([O-])[C@H](Sc1n[n-]c(-c2ccccn2)n1)c1cccc(Cl)c1 ZINC000739513901 576422482 /nfs/dbraw/zinc/42/24/82/576422482.db2.gz SWZWKQNKJXXBHW-GFCCVEGCSA-N -2 3 346.799 3.438 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000325558229 599852511 /nfs/dbraw/zinc/85/25/11/599852511.db2.gz WMOAYEBMYDHSSK-UHFFFAOYSA-N -2 3 347.436 3.457 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000321847698 1297182914 /nfs/dbraw/zinc/18/29/14/1297182914.db2.gz UXBGKDODLIWSCF-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CCCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184702734 1387514618 /nfs/dbraw/zinc/51/46/18/1387514618.db2.gz AXWAYOGUPLXJSM-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255037 1368408334 /nfs/dbraw/zinc/40/83/34/1368408334.db2.gz RXQVWSHVPPQSBQ-UHFFFAOYSA-N -2 3 349.399 3.156 20 0 EGADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc([O-])cnc1Cl ZINC001195305506 1368416992 /nfs/dbraw/zinc/41/69/92/1368416992.db2.gz FRVCIVZIFYZBOB-UHFFFAOYSA-N -2 3 332.665 3.417 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1cc(Cl)ncc1[O-] ZINC001196396771 1368606258 /nfs/dbraw/zinc/60/62/58/1368606258.db2.gz WKZJYEXIIKSEFY-UHFFFAOYSA-N -2 3 343.564 3.161 20 0 EGADHL COC(=O)[N-]C(=S)N(c1cccc([S-])c1)c1ccccc1N ZINC001210949102 1372459444 /nfs/dbraw/zinc/45/94/44/1372459444.db2.gz GXIMHFQMEXAPJB-UHFFFAOYSA-N -2 3 333.438 3.337 20 0 EGADHL COc1c(Nc2ncc(Br)cc2[O-])cccc1C(=O)[O-] ZINC001211031612 1372473772 /nfs/dbraw/zinc/47/37/72/1372473772.db2.gz CYBKDWUGIDKFQN-UHFFFAOYSA-N -2 3 339.145 3.000 20 0 EGADHL CS(=O)(=O)c1ccc([O-])c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214490037 1373070084 /nfs/dbraw/zinc/07/00/84/1373070084.db2.gz NTGKAKBZVGECLS-UHFFFAOYSA-N -2 3 331.752 3.037 20 0 EGADHL Cc1cc(Cl)cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001157157171 1380788817 /nfs/dbraw/zinc/78/88/17/1380788817.db2.gz UATULGGOLGAKAR-UHFFFAOYSA-N -2 3 338.731 3.128 20 0 EGADHL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001595012131 951253029 /nfs/dbraw/zinc/25/30/29/951253029.db2.gz OQKMSPJRRBAAQD-OAHLLOKOSA-N -2 3 327.380 3.405 20 0 EGADHL CC(C)C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001603036098 972095615 /nfs/dbraw/zinc/09/56/15/972095615.db2.gz FWGRQPVAIMLWTJ-QGZVFWFLSA-N -2 3 341.407 3.212 20 0 EGADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001574592037 962129012 /nfs/dbraw/zinc/12/90/12/962129012.db2.gz AEEMSXCTQGLSQB-OLZOCXBDSA-N -2 3 341.363 3.168 20 0 EGADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001574692545 962653730 /nfs/dbraw/zinc/65/37/30/962653730.db2.gz WAUHIPNTNJDMMJ-LBPRGKRZSA-N -2 3 333.409 3.466 20 0 EGADHL CCCCOc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC001595776535 982543518 /nfs/dbraw/zinc/54/35/18/982543518.db2.gz DDEJBGBZWTZBRP-ZDUSSCGKSA-N -2 3 337.416 3.048 20 0 EGADHL CC[C@H](C)C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001594937579 982601167 /nfs/dbraw/zinc/60/11/67/982601167.db2.gz WRMPSNCNOCSATC-UFBFGSQYSA-N -2 3 335.297 3.062 20 0 EGADHL C[C@@H]1C[C@H](C(=O)[O-])CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001594209548 998811244 /nfs/dbraw/zinc/81/12/44/998811244.db2.gz DEANTSNXAOWGCM-VYUIOLGVSA-N -2 3 346.210 3.162 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(F)c1 ZINC000056695960 214385448 /nfs/dbraw/zinc/38/54/48/214385448.db2.gz AHHURFAOFNDMIR-UITAMQMPSA-N -2 3 335.356 3.033 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1C1CC1 ZINC000359069326 167057055 /nfs/dbraw/zinc/05/70/55/167057055.db2.gz MKCIKBNJYOBKOZ-UHFFFAOYSA-N -3 3 347.392 3.077 20 0 EGADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000152922962 264792071 /nfs/dbraw/zinc/79/20/71/264792071.db2.gz GXFRMLNMVCJUBN-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL C[C@H](Oc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1)C(=O)[O-] ZINC000414078028 309059579 /nfs/dbraw/zinc/05/95/79/309059579.db2.gz QQSZFZHVIHIBQL-OFSNVTPPSA-N -2 3 326.352 3.082 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC000295917722 308374593 /nfs/dbraw/zinc/37/45/93/308374593.db2.gz JLGMRLOLEHNFOY-KRWDZBQOSA-N -2 3 335.425 3.084 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000326671036 308771036 /nfs/dbraw/zinc/77/10/36/308771036.db2.gz KRBWNZPHCUILQD-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cs1 ZINC000070156527 454167330 /nfs/dbraw/zinc/16/73/30/454167330.db2.gz BBLVYKKKVVXKNN-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547612751 314917393 /nfs/dbraw/zinc/91/73/93/314917393.db2.gz KULSLWHEZWRYKN-JTQLQIEISA-N -2 3 341.816 3.025 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000318632339 456620737 /nfs/dbraw/zinc/62/07/37/456620737.db2.gz CIMDRQCGCUJUJL-UHFFFAOYSA-N -2 3 339.800 3.401 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000342634617 457418347 /nfs/dbraw/zinc/41/83/47/457418347.db2.gz LDRSJEGYMHEQDD-UHFFFAOYSA-N -2 3 347.314 3.220 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000390177098 457438184 /nfs/dbraw/zinc/43/81/84/457438184.db2.gz GYIVXYIVVBNTEG-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000443468897 457768184 /nfs/dbraw/zinc/76/81/84/457768184.db2.gz PSSLLUACVLAMIH-UHFFFAOYSA-N -3 3 349.389 3.106 20 0 EGADHL Cc1ccc(Cc2n[n-]c(=NC(=O)c3ccc([O-])c(C)c3)s2)cc1 ZINC000436929026 458407506 /nfs/dbraw/zinc/40/75/06/458407506.db2.gz SYUURKOWONNWOD-UHFFFAOYSA-N -2 3 339.420 3.126 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000547871505 458808986 /nfs/dbraw/zinc/80/89/86/458808986.db2.gz KRGWQDRDULPQEM-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(-c2n[n-]c(=NCc3c(F)ccc([O-])c3F)o2)c(C)c1 ZINC000569518819 459464101 /nfs/dbraw/zinc/46/41/01/459464101.db2.gz VTJNMWVXRYEINP-UHFFFAOYSA-N -2 3 331.322 3.371 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cc1 ZINC000614732274 460215770 /nfs/dbraw/zinc/21/57/70/460215770.db2.gz YDEGOJJTKQBDCL-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL Cc1ccc([O-])c(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000653556498 461721340 /nfs/dbraw/zinc/72/13/40/461721340.db2.gz NXFWOFHWOQKMOO-UHFFFAOYSA-N -2 3 339.391 3.419 20 0 EGADHL Cc1nc(C=Cc2nc3c(s2)CCCC3)[n-]c(=O)c1CCC(=O)[O-] ZINC000669644639 461750861 /nfs/dbraw/zinc/75/08/61/461750861.db2.gz LOPMTTKQGXLSQC-BQYQJAHWSA-N -2 3 345.424 3.014 20 0 EGADHL O=C(C=Cc1ccnc2ccccc12)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163583472 546973094 /nfs/dbraw/zinc/97/30/94/546973094.db2.gz KEGVLCGGPHOKTE-MDZDMXLPSA-N -2 3 341.374 3.335 20 0 EGADHL O=C([O-])c1ccnc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000740245648 576569541 /nfs/dbraw/zinc/56/95/41/576569541.db2.gz WKMZLQOCOCOODE-UHFFFAOYSA-N -2 3 342.742 3.076 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000320507150 599904555 /nfs/dbraw/zinc/90/45/55/599904555.db2.gz YAMKNCJRIKYJSC-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000832993815 601200012 /nfs/dbraw/zinc/20/00/12/601200012.db2.gz FZBCXDOQPADOCY-UHFFFAOYSA-N -2 3 348.334 3.095 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C)c1F ZINC000181156972 1294944781 /nfs/dbraw/zinc/94/47/81/1294944781.db2.gz ASXZKNQXHUHCPE-UHFFFAOYSA-N -2 3 345.779 3.303 20 0 EGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805259452 1317333615 /nfs/dbraw/zinc/33/36/15/1317333615.db2.gz RVIGGEBFWZKRIS-UHFFFAOYSA-N -2 3 339.754 3.364 20 0 EGADHL CCCCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254258 1368408791 /nfs/dbraw/zinc/40/87/91/1368408791.db2.gz KKWOTIDLMQRMNZ-UHFFFAOYSA-N -2 3 349.399 3.300 20 0 EGADHL O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1cc(F)ccc1[O-] ZINC001197672237 1368870869 /nfs/dbraw/zinc/87/08/69/1368870869.db2.gz DERAZFQCGSTSGR-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=S(=O)([O-])c1cc(Cl)ccc1Nc1c(F)cc([O-])cc1F ZINC001175097069 1385193923 /nfs/dbraw/zinc/19/39/23/1385193923.db2.gz NJJFDVFNLWLCDW-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL O=C([O-])c1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000700690730 954869748 /nfs/dbraw/zinc/86/97/48/954869748.db2.gz YBBHCZHKSAGSSY-UHFFFAOYSA-N -2 3 336.141 3.105 20 0 EGADHL C[C@@](NC(=O)c1cc2sccc2c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001589115121 956089995 /nfs/dbraw/zinc/08/99/95/956089995.db2.gz ODMGCMOECZRQTH-SFHVURJKSA-N -2 3 341.388 3.337 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c(C)s1 ZINC000047317887 957455071 /nfs/dbraw/zinc/45/50/71/957455071.db2.gz YCPVAHOXORHRQF-UHFFFAOYSA-N -2 3 347.364 3.142 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594192837 959172146 /nfs/dbraw/zinc/17/21/46/959172146.db2.gz ICKSGUFFQJVYSR-HIFRSBDPSA-N -2 3 343.404 3.157 20 0 EGADHL CC(C)c1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c([O-])c1 ZINC001591941731 976462580 /nfs/dbraw/zinc/46/25/80/976462580.db2.gz FRTHBVJHGJATGD-UHFFFAOYSA-N -2 3 342.395 3.028 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1F ZINC000793392366 978806106 /nfs/dbraw/zinc/80/61/06/978806106.db2.gz JTDFPPSASNPTAX-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CN(C)c1ccc(OC(=O)c2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001598327999 991347229 /nfs/dbraw/zinc/34/72/29/991347229.db2.gz AIPASOZRVGXYSS-UHFFFAOYSA-N -2 3 335.743 3.029 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1n[n-]nc1-c1ccccc1 ZINC000345604631 164226042 /nfs/dbraw/zinc/22/60/42/164226042.db2.gz IWEJSTFAPXZKFE-UHFFFAOYSA-N -2 3 332.722 3.222 20 0 EGADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CCc2ccccc2)c1[O-] ZINC000135354929 307701445 /nfs/dbraw/zinc/70/14/45/307701445.db2.gz VNTLEBPSLNJEPI-UHFFFAOYSA-N -2 3 325.817 3.338 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)ccc1C(=O)[O-] ZINC000323839833 308768849 /nfs/dbraw/zinc/76/88/49/308768849.db2.gz NPUBQBQKBUKCAW-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([O-])CC[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccs1 ZINC000563883016 316085804 /nfs/dbraw/zinc/08/58/04/316085804.db2.gz JBWWRNKNIPRAKY-ZDUSSCGKSA-N -2 3 345.486 3.230 20 0 EGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000582339083 325432873 /nfs/dbraw/zinc/43/28/73/325432873.db2.gz NBHHPLLFSWTNDP-ZDUSSCGKSA-N -2 3 343.445 3.492 20 0 EGADHL Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2[O-])c1 ZINC000012852542 453415680 /nfs/dbraw/zinc/41/56/80/453415680.db2.gz UBTXLDAGFUAPDI-UHFFFAOYSA-N -2 3 340.408 3.260 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000060554434 454301453 /nfs/dbraw/zinc/30/14/53/454301453.db2.gz RWVFVHDKYHCDDC-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000060800422 454314418 /nfs/dbraw/zinc/31/44/18/454314418.db2.gz XLBIVCQRXRNWLY-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000230215579 456133923 /nfs/dbraw/zinc/13/39/23/456133923.db2.gz SJDGISOPLRJSMV-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000188933232 456174049 /nfs/dbraw/zinc/17/40/49/456174049.db2.gz BVINDWXYVRXBHY-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1ccc(-c2cc(=NC(=O)c3cc([O-])ccc3Cl)[nH][n-]2)s1 ZINC000353777286 456902387 /nfs/dbraw/zinc/90/23/87/456902387.db2.gz XGZOPBXFHVKAHM-UHFFFAOYSA-N -2 3 333.800 3.480 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000356688853 457119682 /nfs/dbraw/zinc/11/96/82/457119682.db2.gz QMMSICASWPRGDP-UHFFFAOYSA-N -2 3 342.376 3.042 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C ZINC000435730309 458192572 /nfs/dbraw/zinc/19/25/72/458192572.db2.gz DRIDTMTYXWUWMD-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000471116698 458679967 /nfs/dbraw/zinc/67/99/67/458679967.db2.gz PEOXDXAOTWNSKF-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000562358948 459544112 /nfs/dbraw/zinc/54/41/12/459544112.db2.gz SAVPZZZWXGEKIY-UHFFFAOYSA-N -2 3 347.845 3.086 20 0 EGADHL CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736983664 576070377 /nfs/dbraw/zinc/07/03/77/576070377.db2.gz BPXRHALCKUUXGI-CMPLNLGQSA-N -2 3 331.459 3.084 20 0 EGADHL O=C([O-])[C@H](c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000738718421 576354889 /nfs/dbraw/zinc/35/48/89/576354889.db2.gz IGITULUMGMCUFA-SFHVURJKSA-N -2 3 339.391 3.113 20 0 EGADHL CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320634556 600989573 /nfs/dbraw/zinc/98/95/73/600989573.db2.gz GXCAATVAQCGTQV-SNVBAGLBSA-N -2 3 349.399 3.156 20 0 EGADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833212361 604668348 /nfs/dbraw/zinc/66/83/48/604668348.db2.gz VVPNVFIIZRTSIW-CYBMUJFWSA-N -2 3 341.363 3.264 20 0 EGADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000182491804 1295051655 /nfs/dbraw/zinc/05/16/55/1295051655.db2.gz IQXJOGIHGKERBI-UHFFFAOYSA-N -2 3 339.800 3.439 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)cc(Cl)c1F ZINC000767738645 1302754091 /nfs/dbraw/zinc/75/40/91/1302754091.db2.gz YSQWCGVUKRFZSI-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=S(=O)([N-]c1ccc(F)cc1[O-])C1=Cc2ccccc2OCC1 ZINC000775284161 1303932868 /nfs/dbraw/zinc/93/28/68/1303932868.db2.gz LEXULPDGNXOCLK-UHFFFAOYSA-N -2 3 335.356 3.097 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)cc1C(=O)[O-] ZINC001185312038 1387679507 /nfs/dbraw/zinc/67/95/07/1387679507.db2.gz IGKNUDJRFRXLIZ-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CC(=O)c1cccc([O-])c1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197116645 1368748330 /nfs/dbraw/zinc/74/83/30/1368748330.db2.gz WPKIMNWWABHXAX-UHFFFAOYSA-N -2 3 330.365 3.102 20 0 EGADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC001187036201 1388043663 /nfs/dbraw/zinc/04/36/63/1388043663.db2.gz QPMJMQYMLYYBRJ-UHFFFAOYSA-N -2 3 347.223 3.344 20 0 EGADHL [O-]c1c(Cl)ccc([N-]c2nonc2-c2cn3ccncc3n2)c1F ZINC001214796038 1373120857 /nfs/dbraw/zinc/12/08/57/1373120857.db2.gz FMHBYKUKXXJHNH-UHFFFAOYSA-N -2 3 346.709 3.021 20 0 EGADHL Cc1cc(COc2nc3ncnc-3c([S-])[n-]2)ccc1OC(C)C ZINC001226786231 1375333625 /nfs/dbraw/zinc/33/36/25/1375333625.db2.gz PCCWGMAEWHNOET-UHFFFAOYSA-N -2 3 330.413 3.316 20 0 EGADHL O=S(=O)(CC1CC1)[N-]c1c([O-])cc(C(F)(F)F)cc1Cl ZINC001188976839 1388425456 /nfs/dbraw/zinc/42/54/56/1388425456.db2.gz KKVSUPOLNIWRQL-UHFFFAOYSA-N -2 3 329.727 3.216 20 0 EGADHL O=C([O-])[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc(F)cc1 ZINC001594715578 956921792 /nfs/dbraw/zinc/92/17/92/956921792.db2.gz CURSAHAPFQUFSK-HNNXBMFYSA-N -2 3 345.351 3.302 20 0 EGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000316730097 964047575 /nfs/dbraw/zinc/04/75/75/964047575.db2.gz GOJSACSKSNXNCC-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001591763616 975870462 /nfs/dbraw/zinc/87/04/62/975870462.db2.gz WXSXKXBOIHHTQR-UHFFFAOYSA-N -2 3 347.342 3.198 20 0 EGADHL C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001592252165 977481287 /nfs/dbraw/zinc/48/12/87/977481287.db2.gz KKFKZLDJFOPYFJ-JTQLQIEISA-N -2 3 333.306 3.112 20 0 EGADHL CCCCOc1ccc(C(=O)NCC(CC)(CC)C(=O)[O-])c([O-])c1 ZINC001595777419 982547450 /nfs/dbraw/zinc/54/74/50/982547450.db2.gz VNSNWFIVKCXHSG-UHFFFAOYSA-N -2 3 337.416 3.192 20 0 EGADHL CCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c([O-])c1 ZINC001597503655 988072838 /nfs/dbraw/zinc/07/28/38/988072838.db2.gz VMBAVBJPIAULAO-UHFFFAOYSA-N -2 3 349.770 3.324 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001597555992 988284871 /nfs/dbraw/zinc/28/48/71/988284871.db2.gz DUJYEIQGDWVSDX-GFCCVEGCSA-N -2 3 327.380 3.470 20 0 EGADHL CSc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1C(=O)[O-] ZINC001599817611 988453817 /nfs/dbraw/zinc/45/38/17/988453817.db2.gz NQCIKTDLXTXUMA-UHFFFAOYSA-N -2 3 345.376 3.267 20 0 EGADHL C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001593686364 996122562 /nfs/dbraw/zinc/12/25/62/996122562.db2.gz NXZVJYYKWCVORT-GFCCVEGCSA-N -2 3 343.379 3.339 20 0 EGADHL CC(C)([N-]C(=O)C(F)(F)F)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289087219 276288921 /nfs/dbraw/zinc/28/89/21/276288921.db2.gz NNIAGSNPMKRECI-UHFFFAOYSA-N -2 3 349.696 3.009 20 0 EGADHL O=C(NCc1ccc([O-])c(F)c1)c1c([O-])cc(Cl)cc1Cl ZINC000081959752 307443927 /nfs/dbraw/zinc/44/39/27/307443927.db2.gz QKHAKFOXUURUAK-UHFFFAOYSA-N -2 3 330.142 3.474 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C ZINC000512567378 312189533 /nfs/dbraw/zinc/18/95/33/312189533.db2.gz ACSNSSQNRUAMFE-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000536904429 314153534 /nfs/dbraw/zinc/15/35/34/314153534.db2.gz LEKVCCZVUGHTJB-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000537205935 314168072 /nfs/dbraw/zinc/16/80/72/314168072.db2.gz GGLSMNLCDFHGEH-UHFFFAOYSA-N -2 3 327.789 3.163 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1C ZINC000579634625 325138041 /nfs/dbraw/zinc/13/80/41/325138041.db2.gz HWKQPQFVWLWKSJ-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CC[C@H](C)c1n[n-]c([C@H](C)N=c2nc(-c3ccccc3)[n-]s2)n1 ZINC000581226720 325342764 /nfs/dbraw/zinc/34/27/64/325342764.db2.gz RLBZQANUQNBBTH-QWRGUYRKSA-N -2 3 328.445 3.432 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)c1 ZINC000032596977 453878914 /nfs/dbraw/zinc/87/89/14/453878914.db2.gz IHHDIGNFRFFPPX-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000045946471 454199138 /nfs/dbraw/zinc/19/91/38/454199138.db2.gz FAZRNRVPFVXEEI-UHFFFAOYSA-N -2 3 347.392 3.005 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(Cl)c1 ZINC000078365085 454241999 /nfs/dbraw/zinc/24/19/99/454241999.db2.gz HXEGGSRDODXGHB-UHFFFAOYSA-N -2 3 339.800 3.076 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(C)s1 ZINC000149416039 454875723 /nfs/dbraw/zinc/87/57/23/454875723.db2.gz JRFVQDWAXJYYNJ-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL CCOc1cc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc(Cl)c1[O-] ZINC000263336697 456127964 /nfs/dbraw/zinc/12/79/64/456127964.db2.gz MPKKYLRVZZYFQT-JQWIXIFHSA-N -2 3 327.808 3.129 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000323946183 456659415 /nfs/dbraw/zinc/65/94/15/456659415.db2.gz MAGDDTLRJJCCMD-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1C ZINC000326461402 456695105 /nfs/dbraw/zinc/69/51/05/456695105.db2.gz BESOEUUFXCNJHG-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL Cc1nc(C=Cc2ccccc2OC(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000347412483 457410962 /nfs/dbraw/zinc/41/09/62/457410962.db2.gz BTUZODZKNDZMDT-CMDGGOBGSA-N -2 3 328.368 3.075 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000392379918 457458293 /nfs/dbraw/zinc/45/82/93/457458293.db2.gz KXLAHATWXXNTOF-UHFFFAOYSA-N -2 3 345.351 3.478 20 0 EGADHL CC(C)c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c([O-])c1 ZINC000436689910 458360909 /nfs/dbraw/zinc/36/09/09/458360909.db2.gz PCKQKFCXANMIPH-UHFFFAOYSA-N -2 3 338.367 3.259 20 0 EGADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)cc1[O-] ZINC000436777634 458378572 /nfs/dbraw/zinc/37/85/72/458378572.db2.gz CWBXSFMBIZLACF-UHFFFAOYSA-N -2 3 329.743 3.394 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc(C)c1F ZINC000548236409 458855063 /nfs/dbraw/zinc/85/50/63/458855063.db2.gz ZNNZBGNEGKRTKX-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CC(C)c1c(Cc2ccccc2)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000634587653 460439974 /nfs/dbraw/zinc/43/99/74/460439974.db2.gz UYFGSFFLPZIBNE-AWEZNQCLSA-N -2 3 344.802 3.053 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738655477 575024523 /nfs/dbraw/zinc/02/45/23/575024523.db2.gz XSAHPMRRKKZMMM-UHFFFAOYSA-N -2 3 338.360 3.333 20 0 EGADHL CC(C)c1ccc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c([O-])c1 ZINC000736513862 575975723 /nfs/dbraw/zinc/97/57/23/575975723.db2.gz YQYIPCWKFHWWRR-UHFFFAOYSA-N -2 3 325.364 3.370 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1cccc(Cl)c1 ZINC000740289963 576574424 /nfs/dbraw/zinc/57/44/24/576574424.db2.gz HVTUAVBRRPTZQR-CQSZACIVSA-N -2 3 346.726 3.306 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1cccc(Cl)c1 ZINC000740289963 576574426 /nfs/dbraw/zinc/57/44/26/576574426.db2.gz HVTUAVBRRPTZQR-CQSZACIVSA-N -2 3 346.726 3.306 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1Cl ZINC000383496208 600816807 /nfs/dbraw/zinc/81/68/07/600816807.db2.gz YJVUXSGODRMTCZ-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000386267612 601236900 /nfs/dbraw/zinc/23/69/00/601236900.db2.gz OBYVQKHIMDIJFM-SECBINFHSA-N -2 3 349.399 3.156 20 0 EGADHL O=C([O-])c1sc2ccccc2c1C[N-]C(=O)C(F)(F)C(F)F ZINC000833347727 601283627 /nfs/dbraw/zinc/28/36/27/601283627.db2.gz RJRJHQLYQRGTHF-UHFFFAOYSA-N -2 3 335.278 3.116 20 0 EGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000325854385 601287592 /nfs/dbraw/zinc/28/75/92/601287592.db2.gz GJBHWYLNHWTGBJ-UHFFFAOYSA-N -2 3 349.774 3.218 20 0 EGADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000833289791 601475338 /nfs/dbraw/zinc/47/53/38/601475338.db2.gz LCOKOLCTWBFFDF-UHFFFAOYSA-N -2 3 346.408 3.456 20 0 EGADHL O=C([O-])c1cccc(-c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826462184 607645162 /nfs/dbraw/zinc/64/51/62/607645162.db2.gz QNCAQWAWDZUHSN-UHFFFAOYSA-N -2 3 349.375 3.355 20 0 EGADHL O=C([O-])c1cccc(-c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826462184 607645164 /nfs/dbraw/zinc/64/51/64/607645164.db2.gz QNCAQWAWDZUHSN-UHFFFAOYSA-N -2 3 349.375 3.355 20 0 EGADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833212362 604669848 /nfs/dbraw/zinc/66/98/48/604669848.db2.gz VVPNVFIIZRTSIW-ZDUSSCGKSA-N -2 3 341.363 3.264 20 0 EGADHL Cc1ccc([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000832952794 604903769 /nfs/dbraw/zinc/90/37/69/604903769.db2.gz DYZPSQLHPJROSX-UHFFFAOYSA-N -2 3 335.743 3.070 20 0 EGADHL O=C([O-])CCOc1ccccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000901505367 1317437029 /nfs/dbraw/zinc/43/70/29/1317437029.db2.gz AOXCFHMVLXKCRJ-BQYQJAHWSA-N -2 3 326.352 3.084 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(C(=O)[O-])c2)CC)n1 ZINC000865223672 1329677277 /nfs/dbraw/zinc/67/72/77/1329677277.db2.gz LGMCVGQXMNNDHK-LCYFTJDESA-N -2 3 342.395 3.380 20 0 EGADHL CC(C)(C)c1ccc(NC(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001191159445 1367435614 /nfs/dbraw/zinc/43/56/14/1367435614.db2.gz SDSVICSEFSYDON-UHFFFAOYSA-N -2 3 328.349 3.064 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])c1sccc1-c1ccccc1 ZINC001195719697 1368476987 /nfs/dbraw/zinc/47/69/87/1368476987.db2.gz HGSYYXPWODWUKF-UHFFFAOYSA-N -2 3 339.353 3.103 20 0 EGADHL O=C([O-])c1cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc(F)c1F ZINC001206017522 1370939169 /nfs/dbraw/zinc/93/91/69/1370939169.db2.gz QMRCNYYKFWLZGG-UHFFFAOYSA-N -2 3 336.241 3.428 20 0 EGADHL Cc1cccc([C@H](C)Oc2[n-]c(=O)nc3nc(Br)[n-]c32)c1 ZINC001227595695 1375449478 /nfs/dbraw/zinc/44/94/78/1375449478.db2.gz CCEYALONJVTUGV-QMMMGPOBSA-N -2 3 349.188 3.269 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cc(Cl)ccc1Cl ZINC001189007214 1388435117 /nfs/dbraw/zinc/43/51/17/1388435117.db2.gz QMSFMOBDECFEIM-UHFFFAOYSA-N -2 3 341.131 3.073 20 0 EGADHL Cc1ccc(CCC(=O)NCCCCP(=O)([O-])[O-])c2ccccc12 ZINC001178600177 1386260194 /nfs/dbraw/zinc/26/01/94/1386260194.db2.gz SQEWQQNYJXHMHT-UHFFFAOYSA-N -2 3 349.367 3.155 20 0 EGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000036968459 957248493 /nfs/dbraw/zinc/24/84/93/957248493.db2.gz KPPNVKSKEKGTTP-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000037417049 957282862 /nfs/dbraw/zinc/28/28/62/957282862.db2.gz WTKMFOSBNAYFPP-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391588896 972348258 /nfs/dbraw/zinc/34/82/58/972348258.db2.gz LCKMUPDUBLMGOR-SNVBAGLBSA-N -2 3 349.399 3.158 20 0 EGADHL CC(C)[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588942809 962547076 /nfs/dbraw/zinc/54/70/76/962547076.db2.gz FEKULANSQZABOI-SNVBAGLBSA-N -2 3 340.153 3.311 20 0 EGADHL O=C([O-])[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)c2ccccc21 ZINC000909579236 981547338 /nfs/dbraw/zinc/54/73/38/981547338.db2.gz STPKDABXHJTROX-CQSZACIVSA-N -2 3 343.354 3.069 20 0 EGADHL CCCC[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)[O-] ZINC001595644586 981979441 /nfs/dbraw/zinc/97/94/41/981979441.db2.gz GYLBLESQOCQJHZ-SNVBAGLBSA-N -2 3 326.299 3.301 20 0 EGADHL CCc1cccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c1[O-] ZINC001597570527 988346749 /nfs/dbraw/zinc/34/67/49/988346749.db2.gz NJKGOLRAIYDGEY-CYBMUJFWSA-N -2 3 327.380 3.070 20 0 EGADHL Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000055581665 214332317 /nfs/dbraw/zinc/33/23/17/214332317.db2.gz SDIQIQSWLRLHHL-HJWRWDBZSA-N -2 3 335.356 3.245 20 0 EGADHL O=C([O-])c1cc2cc(NC(=O)c3ccc4n[n-]nc4c3)ccc2s1 ZINC000178191915 144066121 /nfs/dbraw/zinc/06/61/21/144066121.db2.gz FOAUUIPYNLAHCE-UHFFFAOYSA-N -2 3 338.348 3.123 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000325701310 154180463 /nfs/dbraw/zinc/18/04/63/154180463.db2.gz SNVWGMVCMLZJSW-LBPRGKRZSA-N -2 3 349.408 3.074 20 0 EGADHL O=C([O-])CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352021833 165195340 /nfs/dbraw/zinc/19/53/40/165195340.db2.gz RLXHOCNEFDWGKD-BHQIHCQQSA-N -2 3 326.352 3.084 20 0 EGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1csc(=NC2CC2)[n-]1 ZINC000355884749 166337690 /nfs/dbraw/zinc/33/76/90/166337690.db2.gz XCXGKVQJEQQKRT-UHFFFAOYSA-N -2 3 344.223 3.404 20 0 EGADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1 ZINC000274391644 267228383 /nfs/dbraw/zinc/22/83/83/267228383.db2.gz PQVOTZPQUGOOPO-NSHDSACASA-N -2 3 340.379 3.210 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000004569010 275116748 /nfs/dbraw/zinc/11/67/48/275116748.db2.gz PZJVVBQEAPEXIM-UHFFFAOYSA-N -2 3 333.409 3.238 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1F ZINC000326968962 308771110 /nfs/dbraw/zinc/77/11/10/308771110.db2.gz GFEQABDXFVJFMT-UHFFFAOYSA-N -2 3 345.351 3.478 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000391003066 308901301 /nfs/dbraw/zinc/90/13/01/308901301.db2.gz RXCLTNBYMVEPKQ-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000391675407 308901629 /nfs/dbraw/zinc/90/16/29/308901629.db2.gz MJIRSYIWFOKCOV-UHFFFAOYSA-N -2 3 329.352 3.015 20 0 EGADHL CC(C)(C)c1nc(=NC(=O)CCCc2ccc([O-])c(F)c2)s[n-]1 ZINC000468913940 310695978 /nfs/dbraw/zinc/69/59/78/310695978.db2.gz KPLKAVSXRSLHDC-UHFFFAOYSA-N -2 3 337.420 3.064 20 0 EGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512771138 312194605 /nfs/dbraw/zinc/19/46/05/312194605.db2.gz JOMOHZRBDDLKGK-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512785992 312194668 /nfs/dbraw/zinc/19/46/68/312194668.db2.gz RZKNFSZHKBBCHX-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C(Nc1ccc(Br)cc1[O-])c1cc(F)ccc1[O-] ZINC000536702263 314139950 /nfs/dbraw/zinc/13/99/50/314139950.db2.gz FNPLRUWXULHYQT-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550111408 315117072 /nfs/dbraw/zinc/11/70/72/315117072.db2.gz OKICMGUSKUZBNP-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000551915405 315177734 /nfs/dbraw/zinc/17/77/34/315177734.db2.gz RXFDMKIAKSMCJH-TWGQIWQCSA-N -2 3 328.368 3.077 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1F ZINC000180018263 323419030 /nfs/dbraw/zinc/41/90/30/323419030.db2.gz HUTUUGMGRAXDHM-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1C(=O)[O-] ZINC000387172258 324269929 /nfs/dbraw/zinc/26/99/29/324269929.db2.gz XLKXWXVOIOKZNG-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CSc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000337743000 456519087 /nfs/dbraw/zinc/51/90/87/456519087.db2.gz DVDAEOVSKRJKHX-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000318685888 456620313 /nfs/dbraw/zinc/62/03/13/456620313.db2.gz GOGGCONBLYVBCY-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000461343663 458555512 /nfs/dbraw/zinc/55/55/12/458555512.db2.gz UJOWKVBLSHWJAR-UHFFFAOYSA-N -2 3 333.409 3.469 20 0 EGADHL N=c1[n-]nc(SCc2cc([O-])cc(C(F)(F)F)c2)n1C1CC1 ZINC000585118969 459826352 /nfs/dbraw/zinc/82/63/52/459826352.db2.gz KPUBYURWHVJIJQ-UHFFFAOYSA-N -2 3 330.335 3.042 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000669433972 461675940 /nfs/dbraw/zinc/67/59/40/461675940.db2.gz CKBCNNGSZJQTJQ-CQSZACIVSA-N -2 3 325.364 3.173 20 0 EGADHL CCCCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000670369916 548202052 /nfs/dbraw/zinc/20/20/52/548202052.db2.gz KGIKWIMTIKKHHY-VURMDHGXSA-N -2 3 344.367 3.238 20 0 EGADHL O=C([O-])c1cnc(C=Cc2csc(-c3ccsc3)n2)[n-]c1=O ZINC000670370058 548202222 /nfs/dbraw/zinc/20/22/22/548202222.db2.gz TZPJFKQCFKVHLF-UPHRSURJSA-N -2 3 331.378 3.236 20 0 EGADHL CC(C)c1cc(C(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)on1 ZINC000736516059 575976198 /nfs/dbraw/zinc/97/61/98/575976198.db2.gz XKQNTEUUOIFPLX-UHFFFAOYSA-N -2 3 346.368 3.200 20 0 EGADHL CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736983667 576070353 /nfs/dbraw/zinc/07/03/53/576070353.db2.gz BPXRHALCKUUXGI-JQWIXIFHSA-N -2 3 331.459 3.084 20 0 EGADHL CCc1cccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1[O-] ZINC000830260132 601801838 /nfs/dbraw/zinc/80/18/38/601801838.db2.gz RUAWEGHGUCIEGJ-UHFFFAOYSA-N -2 3 334.397 3.071 20 0 EGADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000833455532 605265550 /nfs/dbraw/zinc/26/55/50/605265550.db2.gz HJDSGCFGKUFZHU-UHFFFAOYSA-N -2 3 333.306 3.144 20 0 EGADHL C[C@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000909530371 1318488145 /nfs/dbraw/zinc/48/81/45/1318488145.db2.gz SMLFRYKDOPAZPK-BEFAXECRSA-N -2 3 327.380 3.309 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(F)c1F ZINC001185909074 1387826102 /nfs/dbraw/zinc/82/61/02/1387826102.db2.gz HHBBDTYOGUTOFP-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1cc(C(=O)Nc2c([O-])cccc2C(C)=O)cc(Cl)c1[O-] ZINC001191148707 1367433164 /nfs/dbraw/zinc/43/31/64/1367433164.db2.gz QDPIWTWPNLGHGK-UHFFFAOYSA-N -2 3 335.743 3.215 20 0 EGADHL Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc([S-])cc3)c2)o1 ZINC001192264487 1367733817 /nfs/dbraw/zinc/73/38/17/1367733817.db2.gz COGXSYWXFDZMCW-UHFFFAOYSA-N -2 3 347.421 3.135 20 0 EGADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cc2c(s1)CCCC2 ZINC001187208772 1388072227 /nfs/dbraw/zinc/07/22/27/1388072227.db2.gz GLGNFTLVSHJKOL-UHFFFAOYSA-N -2 3 327.402 3.272 20 0 EGADHL O=C([O-])CCC(=O)Nc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001213189479 1372855920 /nfs/dbraw/zinc/85/59/20/1372855920.db2.gz HYEOFQURWFHKGL-UHFFFAOYSA-N -2 3 336.294 3.217 20 0 EGADHL CSc1ccccc1[N-]C(=S)NCC(=O)c1ccc([O-])cc1 ZINC001249716117 1377078387 /nfs/dbraw/zinc/07/83/87/1377078387.db2.gz CYRSCIREPJMBNI-UHFFFAOYSA-N -2 3 332.450 3.283 20 0 EGADHL O=C(Nc1ccc(Br)c([O-])c1)c1cccc(F)c1[O-] ZINC001154321525 1380255932 /nfs/dbraw/zinc/25/59/32/1380255932.db2.gz PYGNOPBMRKSLIS-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL O=C([O-])CC1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000326428808 971292735 /nfs/dbraw/zinc/29/27/35/971292735.db2.gz VNOSOKRLOZHASY-UHFFFAOYSA-N -2 3 342.395 3.095 20 0 EGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCCC1 ZINC001259222720 960686782 /nfs/dbraw/zinc/68/67/82/960686782.db2.gz CZJVFVWNBQGVGJ-QMMMGPOBSA-N -2 3 349.811 3.034 20 0 EGADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000317426833 970358275 /nfs/dbraw/zinc/35/82/75/970358275.db2.gz OWUXYJDJYGBHSG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001599819671 988489911 /nfs/dbraw/zinc/48/99/11/988489911.db2.gz BUNFOWKZYGAJNC-INIZCTEOSA-N -2 3 345.420 3.287 20 0 EGADHL COc1cc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)ccc1C(=O)[O-] ZINC001599346307 998011976 /nfs/dbraw/zinc/01/19/76/998011976.db2.gz AHBZXBXGHMPMEH-UHFFFAOYSA-N -2 3 330.727 3.363 20 0 EGADHL CCc1cccc2c(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c[nH]c21 ZINC000349105752 156355056 /nfs/dbraw/zinc/35/50/56/156355056.db2.gz HGUHEBDZUSBFQZ-FPLPWBNLSA-N -2 3 337.379 3.332 20 0 EGADHL Cc1nc(C=Cc2cnc(C(C)(C)C)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107615 156355988 /nfs/dbraw/zinc/35/59/88/156355988.db2.gz KHLLNQYETHLZRC-WAYWQWQTSA-N -2 3 333.413 3.042 20 0 EGADHL CCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000347387615 164492497 /nfs/dbraw/zinc/49/24/97/164492497.db2.gz WLCPDOADBKUKQJ-YFHOEESVSA-N -2 3 342.395 3.467 20 0 EGADHL O=C(Nc1cc(F)ccc1[O-])c1ccc(Br)cc1[O-] ZINC000436602427 309764138 /nfs/dbraw/zinc/76/41/38/309764138.db2.gz JTENDCDQLXCWNU-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445448523 309941270 /nfs/dbraw/zinc/94/12/70/309941270.db2.gz WBGZBYWOCPAKQF-UHFFFAOYSA-N -2 3 345.742 3.427 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000531433120 313669880 /nfs/dbraw/zinc/66/98/80/313669880.db2.gz NYZCDJFUMBVTEY-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)ccc2O1 ZINC000535767382 314071258 /nfs/dbraw/zinc/07/12/58/314071258.db2.gz QLSSOAAKPMDIFY-UHFFFAOYSA-N -2 3 337.372 3.046 20 0 EGADHL Cc1cccc(N=c2[n-]nc(SCc3ncccc3[O-])s2)c1 ZINC000580511487 325258824 /nfs/dbraw/zinc/25/88/24/325258824.db2.gz AMHMYBNGMAEHHS-UHFFFAOYSA-N -2 3 330.438 3.405 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000013262387 453456124 /nfs/dbraw/zinc/45/61/24/453456124.db2.gz OOTZSCYHDGEYNC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)c(Cl)[n-]2)c2ccccc21 ZINC000131991682 454305271 /nfs/dbraw/zinc/30/52/71/454305271.db2.gz YCYIBOLRGOIIOJ-MRVPVSSYSA-N -2 3 325.151 3.150 20 0 EGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000060800228 454313825 /nfs/dbraw/zinc/31/38/25/454313825.db2.gz KXSSMNQSLHMXAC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000096697633 454376862 /nfs/dbraw/zinc/37/68/62/454376862.db2.gz GWGICAABLGSMKG-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000064475273 454485875 /nfs/dbraw/zinc/48/58/75/454485875.db2.gz VZBLPWFAORXVPV-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000066290406 454678362 /nfs/dbraw/zinc/67/83/62/454678362.db2.gz DQAHEFVEMKOOJE-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C(=O)[O-] ZINC000152935143 454743529 /nfs/dbraw/zinc/74/35/29/454743529.db2.gz IKWPFANATZLCJJ-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000471123042 458679415 /nfs/dbraw/zinc/67/94/15/458679415.db2.gz ZQJGGOBRGDMUMU-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000582101258 459306355 /nfs/dbraw/zinc/30/63/55/459306355.db2.gz HTHDJBYSUZKNEG-CYBMUJFWSA-N -2 3 345.436 3.084 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000607616672 460874127 /nfs/dbraw/zinc/87/41/27/460874127.db2.gz HBHRJTVQRWWIOZ-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=C([O-])c1cnc(C=Cc2cccc(OC3CCCC3)c2)[n-]c1=O ZINC000670370163 548202330 /nfs/dbraw/zinc/20/23/30/548202330.db2.gz GXOHOKPNBZCITJ-CMDGGOBGSA-N -2 3 326.352 3.372 20 0 EGADHL O=C(Nc1ccc(Br)cc1[O-])c1ccc([O-])c(F)c1 ZINC000681017473 549942529 /nfs/dbraw/zinc/94/25/29/549942529.db2.gz BAZCASCDYRHJEY-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CCc1ccc([O-])c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737267349 576195572 /nfs/dbraw/zinc/19/55/72/576195572.db2.gz GOVUPNJOSKSAIE-UHFFFAOYSA-N -2 3 328.368 3.017 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)[n-]n2)o1 ZINC000738487612 576331053 /nfs/dbraw/zinc/33/10/53/576331053.db2.gz CVIXOGKNDHWANW-HNNXBMFYSA-N -2 3 344.298 3.100 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3ccc(F)cc3)n[n-]2)o1 ZINC000738487612 576331055 /nfs/dbraw/zinc/33/10/55/576331055.db2.gz CVIXOGKNDHWANW-HNNXBMFYSA-N -2 3 344.298 3.100 20 0 EGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000740075334 576543451 /nfs/dbraw/zinc/54/34/51/576543451.db2.gz KWNDEVBIXGRYKM-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000740143666 576554318 /nfs/dbraw/zinc/55/43/18/576554318.db2.gz JVWHKQHBBHKKPT-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1Cl ZINC000316607826 601827917 /nfs/dbraw/zinc/82/79/17/601827917.db2.gz JOHSXYYTWFLUKD-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000833211324 604671760 /nfs/dbraw/zinc/67/17/60/604671760.db2.gz DMLJPNZVSGEKFD-MRXNPFEDSA-N -2 3 339.391 3.062 20 0 EGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1nc(Cl)ccc1Cl ZINC000163596058 1294336376 /nfs/dbraw/zinc/33/63/76/1294336376.db2.gz XOAHLWMTDFNYDR-UHFFFAOYSA-N -2 3 334.166 3.089 20 0 EGADHL COc1ccccc1CO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000799211373 1310513936 /nfs/dbraw/zinc/51/39/36/1310513936.db2.gz MBIQBQDTAKCJLE-UHFFFAOYSA-N -2 3 336.417 3.098 20 0 EGADHL O=S(=O)([N-]c1ccc([S-])cc1)c1ccc(-c2cnco2)cc1 ZINC001185221099 1387654980 /nfs/dbraw/zinc/65/49/80/1387654980.db2.gz IBOJTRBLYOFZLL-UHFFFAOYSA-N -2 3 332.406 3.431 20 0 EGADHL O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cc(F)ccc1[O-] ZINC001189529663 1367046271 /nfs/dbraw/zinc/04/62/71/1367046271.db2.gz LGVYPKAVBSPFIJ-UHFFFAOYSA-N -2 3 349.305 3.492 20 0 EGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1F ZINC001198783007 1369113770 /nfs/dbraw/zinc/11/37/70/1369113770.db2.gz UULYZMDCOOPTPZ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1ccc(OC(C)C)c(COc2nc3ncnc-3c([S-])[n-]2)c1 ZINC001226785789 1375333392 /nfs/dbraw/zinc/33/33/92/1375333392.db2.gz OSZNCIIARXGCQJ-UHFFFAOYSA-N -2 3 346.412 3.016 20 0 EGADHL O=C([N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1=CCCC1 ZINC000826459498 1441896307 /nfs/dbraw/zinc/89/63/07/1441896307.db2.gz MCIWLWKDAVTZLY-UHFFFAOYSA-N -2 3 338.396 3.039 20 0 EGADHL O=C([N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1=CCCC1 ZINC000826459498 1441896309 /nfs/dbraw/zinc/89/63/09/1441896309.db2.gz MCIWLWKDAVTZLY-UHFFFAOYSA-N -2 3 338.396 3.039 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2C(=O)[O-])cc1 ZINC000323437960 971004585 /nfs/dbraw/zinc/00/45/85/971004585.db2.gz YFPRMMNTDFVHOB-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000071977184 957733153 /nfs/dbraw/zinc/73/31/53/957733153.db2.gz VTWALYBCIQGTML-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL CCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1 ZINC000320019332 970603477 /nfs/dbraw/zinc/60/34/77/970603477.db2.gz GIVHBFCUSHCHHA-UHFFFAOYSA-N -2 3 349.811 3.036 20 0 EGADHL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000396350464 972860333 /nfs/dbraw/zinc/86/03/33/972860333.db2.gz DTZFYXRTGIQBQP-GFCCVEGCSA-N -2 3 345.420 3.164 20 0 EGADHL Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605351147 973255507 /nfs/dbraw/zinc/25/55/07/973255507.db2.gz NUFTVPNBCMAXFS-CQSZACIVSA-N -2 3 337.297 3.168 20 0 EGADHL COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1C(=O)[O-] ZINC001599431826 997771952 /nfs/dbraw/zinc/77/19/52/997771952.db2.gz VSFBIADPGMBZNM-UHFFFAOYSA-N -2 3 347.342 3.200 20 0 EGADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000316933195 154158062 /nfs/dbraw/zinc/15/80/62/154158062.db2.gz NPLCTQMJBIXFQA-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000323305680 154170323 /nfs/dbraw/zinc/17/03/23/154170323.db2.gz OXKVDRZVRHYPTL-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1nc(C=Cc2cnc(C3CCC3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107577 156355044 /nfs/dbraw/zinc/35/50/44/156355044.db2.gz KEUSTGQRBRWJHG-AATRIKPKSA-N -2 3 331.397 3.012 20 0 EGADHL CCOc1c(Cl)cccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349114496 156356728 /nfs/dbraw/zinc/35/67/28/156356728.db2.gz UQALQQYZYIGERM-BQYQJAHWSA-N -2 3 348.786 3.340 20 0 EGADHL O=C([O-])CCOc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352020273 165195285 /nfs/dbraw/zinc/19/52/85/165195285.db2.gz GMTRFBLYKGWRIZ-QPJJXVBHSA-N -2 3 326.352 3.084 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000318811284 308766779 /nfs/dbraw/zinc/76/67/79/308766779.db2.gz UKOXGQYBOXIANG-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000542731109 314572996 /nfs/dbraw/zinc/57/29/96/314572996.db2.gz BDZWWVCHLGGKIZ-CYBMUJFWSA-N -2 3 347.436 3.313 20 0 EGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000551915400 315177782 /nfs/dbraw/zinc/17/77/82/315177782.db2.gz RXFDMKIAKSMCJH-RMKNXTFCSA-N -2 3 328.368 3.077 20 0 EGADHL COc1cc(C(=O)[N-]c2c([O-])cc(Br)cc2Cl)on1 ZINC000572906940 317407822 /nfs/dbraw/zinc/40/78/22/317407822.db2.gz WAZGHDYWJXBVIV-UHFFFAOYSA-N -2 3 347.552 3.057 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000008183649 453173945 /nfs/dbraw/zinc/17/39/45/453173945.db2.gz DQSQHZIBXBVIQM-UHFFFAOYSA-N -2 3 333.409 3.067 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)n[n-]2)o1 ZINC000181872168 455392197 /nfs/dbraw/zinc/39/21/97/455392197.db2.gz IEROTGSTOXSBLT-UHFFFAOYSA-N -2 3 329.287 3.068 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)[n-]n2)o1 ZINC000181872168 455392201 /nfs/dbraw/zinc/39/22/01/455392201.db2.gz IEROTGSTOXSBLT-UHFFFAOYSA-N -2 3 329.287 3.068 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000076195282 453978221 /nfs/dbraw/zinc/97/82/21/453978221.db2.gz GVIFWZNXGMAHJH-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000324968653 456676720 /nfs/dbraw/zinc/67/67/20/456676720.db2.gz ZMQLJGNIANBQIR-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc([O-])ccc1Cl ZINC000352500341 457419499 /nfs/dbraw/zinc/41/94/99/457419499.db2.gz WXHXEOKCULGYJM-UHFFFAOYSA-N -2 3 329.743 3.394 20 0 EGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000435967905 458231702 /nfs/dbraw/zinc/23/17/02/458231702.db2.gz APAZOTAUWCJDBR-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000436604017 458343252 /nfs/dbraw/zinc/34/32/52/458343252.db2.gz IAYZHUPKWCGWIX-UHFFFAOYSA-N -3 3 347.392 3.159 20 0 EGADHL O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)c1c([O-])cccc1F ZINC000436664505 458355458 /nfs/dbraw/zinc/35/54/58/458355458.db2.gz JPOKEYQJSQGZGD-UHFFFAOYSA-N -2 3 338.298 3.315 20 0 EGADHL O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)c1c([O-])cccc1F ZINC000436664505 458355461 /nfs/dbraw/zinc/35/54/61/458355461.db2.gz JPOKEYQJSQGZGD-UHFFFAOYSA-N -2 3 338.298 3.315 20 0 EGADHL O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1c([O-])cccc1F ZINC000436664505 458355462 /nfs/dbraw/zinc/35/54/62/458355462.db2.gz JPOKEYQJSQGZGD-UHFFFAOYSA-N -2 3 338.298 3.315 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)o1 ZINC000582418068 459362045 /nfs/dbraw/zinc/36/20/45/459362045.db2.gz BFHWDVBLOUKJAD-AWEZNQCLSA-N -2 3 349.408 3.188 20 0 EGADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000582973869 459461236 /nfs/dbraw/zinc/46/12/36/459461236.db2.gz LXBZLFJNZYWTEW-UHFFFAOYSA-N -2 3 339.273 3.036 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c1 ZINC000656625229 461810316 /nfs/dbraw/zinc/81/03/16/461810316.db2.gz YZCRMRMYCUHOTI-QGZVFWFLSA-N -2 3 341.473 3.292 20 0 EGADHL Cc1cccc2cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])sc21 ZINC000646019548 462498530 /nfs/dbraw/zinc/49/85/30/462498530.db2.gz JNEIHDJULAPUFO-UHFFFAOYSA-N -2 3 341.454 3.133 20 0 EGADHL CCOc1cc(C(=O)Nc2ccc(OC)cc2[O-])cc(Cl)c1[O-] ZINC000442705525 547916065 /nfs/dbraw/zinc/91/60/65/547916065.db2.gz VOVQXSHOKKBGPA-UHFFFAOYSA-N -2 3 337.759 3.411 20 0 EGADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccc(F)cc3)o2)[n-]c1=O ZINC000670369966 548201833 /nfs/dbraw/zinc/20/18/33/548201833.db2.gz NTMXDMGUMPEMRO-VURMDHGXSA-N -2 3 326.283 3.450 20 0 EGADHL O=C([O-])c1cnc(C=Cc2csc(-c3cccs3)n2)[n-]c1=O ZINC000670370115 548202107 /nfs/dbraw/zinc/20/21/07/548202107.db2.gz ZTNLRWQWFPXLMF-ARJAWSKDSA-N -2 3 331.378 3.236 20 0 EGADHL CC(C)CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670370201 548202248 /nfs/dbraw/zinc/20/22/48/548202248.db2.gz NFHIZTRIBLEHLF-VMPITWQZSA-N -2 3 328.368 3.476 20 0 EGADHL Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(C)c1OC(F)F ZINC000670369781 548202400 /nfs/dbraw/zinc/20/24/00/548202400.db2.gz AYMTZPGUQQWSNL-ONEGZZNKSA-N -2 3 336.294 3.269 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3ncoc3-c3ccccc3)n[n-]2)o1 ZINC000679371165 549698822 /nfs/dbraw/zinc/69/88/22/549698822.db2.gz XXNBBFUWBXTDGM-UHFFFAOYSA-N -2 3 335.323 3.280 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc(C)c1F ZINC000738250683 576305941 /nfs/dbraw/zinc/30/59/41/576305941.db2.gz BKUNAHKWQJGMQM-UHFFFAOYSA-N -2 3 338.360 3.333 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000322948871 599852851 /nfs/dbraw/zinc/85/28/51/599852851.db2.gz SEMOWYFJQMJRNV-UHFFFAOYSA-N -2 3 333.409 3.121 20 0 EGADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000833211323 604671907 /nfs/dbraw/zinc/67/19/07/604671907.db2.gz DMLJPNZVSGEKFD-INIZCTEOSA-N -2 3 339.391 3.062 20 0 EGADHL O=S(=O)([N-]c1cc(F)ccc1[O-])C1=Cc2ccccc2OCC1 ZINC000187015228 1295362203 /nfs/dbraw/zinc/36/22/03/1295362203.db2.gz UGOGMGJLZGUVOB-UHFFFAOYSA-N -2 3 335.356 3.097 20 0 EGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)c1 ZINC000849248355 1322101799 /nfs/dbraw/zinc/10/17/99/1322101799.db2.gz QMQNAGLSRFGRKK-SOFGYWHQSA-N -2 3 342.395 3.385 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C)cc1C(=O)[O-] ZINC001184703113 1387514814 /nfs/dbraw/zinc/51/48/14/1387514814.db2.gz HWKSNPYBYWGUBB-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=S(=O)([N-]c1c([S-])cccc1Cl)c1cccnc1Cl ZINC001184880916 1387553502 /nfs/dbraw/zinc/55/35/02/1387553502.db2.gz VLFNQHYCCFKIIL-UHFFFAOYSA-N -2 3 335.237 3.478 20 0 EGADHL CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254919 1368408517 /nfs/dbraw/zinc/40/85/17/1368408517.db2.gz PRRAYJRSIYZWFR-JTQLQIEISA-N -2 3 349.399 3.156 20 0 EGADHL O=C([N-]c1c(Cl)cnnc1Cl)c1cc(F)c(F)c([O-])c1F ZINC001186771175 1388007034 /nfs/dbraw/zinc/00/70/34/1388007034.db2.gz UEJBDFPYDIXZJD-UHFFFAOYSA-N -2 3 338.072 3.159 20 0 EGADHL CCOc1ccc(C(=O)[O-])cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001214270833 1373035114 /nfs/dbraw/zinc/03/51/14/1373035114.db2.gz QQJKCPQZQLWDGC-UHFFFAOYSA-N -2 3 339.351 3.418 20 0 EGADHL O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ccc(F)cc1[O-] ZINC001189101386 1388459095 /nfs/dbraw/zinc/45/90/95/1388459095.db2.gz XTAHHWQLDOIUHX-UHFFFAOYSA-N -2 3 329.780 3.169 20 0 EGADHL CC(=O)c1cccc([O-])c1NC(=O)c1cc2cccc(O)c2cc1[O-] ZINC001149651493 1379420318 /nfs/dbraw/zinc/42/03/18/1379420318.db2.gz NTGZPULBJJUGCL-UHFFFAOYSA-N -2 3 337.331 3.412 20 0 EGADHL O=P([O-])([O-])C1(Nc2cc(C3CC3)ccn2)Cc2ccccc2C1 ZINC001157157586 1380789033 /nfs/dbraw/zinc/78/90/33/1380789033.db2.gz VKXPZHYCUCVZPQ-UHFFFAOYSA-N -2 3 330.324 3.044 20 0 EGADHL CC(C)[C@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588829622 961688041 /nfs/dbraw/zinc/68/80/41/961688041.db2.gz LTKAXWPEVRADFP-INIZCTEOSA-N -2 3 343.379 3.271 20 0 EGADHL CC(C)Oc1c(NCc2cc(=O)[n-]c(C3CC3)n2)cccc1C(=O)[O-] ZINC001591751734 975808784 /nfs/dbraw/zinc/80/87/84/975808784.db2.gz BQEKYTTXQZSDHT-UHFFFAOYSA-N -2 3 343.383 3.157 20 0 EGADHL CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595621875 981704394 /nfs/dbraw/zinc/70/43/94/981704394.db2.gz QIYLEGQGKPMASE-QWHCGFSZSA-N -2 3 343.445 3.171 20 0 EGADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001599969223 985974127 /nfs/dbraw/zinc/97/41/27/985974127.db2.gz OUZXMSNATLQYTF-LLVKDONJSA-N -2 3 329.139 3.008 20 0 EGADHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001597463683 987892747 /nfs/dbraw/zinc/89/27/47/987892747.db2.gz BEIGZTJAJJTWCB-UHFFFAOYSA-N -2 3 336.347 3.041 20 0 EGADHL CC(C)(C)C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001589760026 988081386 /nfs/dbraw/zinc/08/13/86/988081386.db2.gz KPLLJHJWYXMMAA-AWEZNQCLSA-N -2 3 326.364 3.287 20 0 EGADHL C[C@@H]1C[C@@H](C(=O)[O-])CN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001594209546 998810637 /nfs/dbraw/zinc/81/06/37/998810637.db2.gz DEANTSNXAOWGCM-JRKPZEMJSA-N -2 3 346.210 3.162 20 0 EGADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000033893880 212966560 /nfs/dbraw/zinc/96/65/60/212966560.db2.gz ILWWQTZKJOPNQC-YFHOEESVSA-N -2 3 337.784 3.239 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000336861488 154218725 /nfs/dbraw/zinc/21/87/25/154218725.db2.gz BIXVVISILBKSAB-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc2cccnc12 ZINC000349108490 156354978 /nfs/dbraw/zinc/35/49/78/156354978.db2.gz LHDLQBHJMNDEAY-AATRIKPKSA-N -2 3 335.363 3.145 20 0 EGADHL Cc1nc(C=Cc2ncc(C(C)(C)C)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349108196 156355746 /nfs/dbraw/zinc/35/57/46/156355746.db2.gz LBHIYKSZIXSIKH-WAYWQWQTSA-N -2 3 333.413 3.042 20 0 EGADHL O=C([O-])c1cnc(/C=C\c2cc([O-])ccc2Br)s1 ZINC000255591313 308055101 /nfs/dbraw/zinc/05/51/01/308055101.db2.gz ZUAJELXZGAFTJK-RJRFIUFISA-N -2 3 326.171 3.480 20 0 EGADHL O=C([O-])c1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000357401109 308891673 /nfs/dbraw/zinc/89/16/73/308891673.db2.gz NVQNDSYFSIHREI-LGMDPLHJSA-N -2 3 332.359 3.251 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1Cl ZINC000175024431 323313972 /nfs/dbraw/zinc/31/39/72/323313972.db2.gz UQPBJFWJFJJIRE-UHFFFAOYSA-N -2 3 339.800 3.076 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)cc1C(=O)[O-] ZINC000578190162 324933094 /nfs/dbraw/zinc/93/30/94/324933094.db2.gz XJKFRMGEJGLJOG-INIZCTEOSA-N -2 3 349.408 3.106 20 0 EGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000580872145 325303120 /nfs/dbraw/zinc/30/31/20/325303120.db2.gz KNRZMTQHGKTUFV-CYBMUJFWSA-N -2 3 345.436 3.084 20 0 EGADHL CSc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000058246091 454174194 /nfs/dbraw/zinc/17/41/94/454174194.db2.gz QAOVJPQPDGHQDV-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(C)c1 ZINC000058365645 454193933 /nfs/dbraw/zinc/19/39/33/454193933.db2.gz WKUSWYQXVRAEDK-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000071415302 454206657 /nfs/dbraw/zinc/20/66/57/454206657.db2.gz BFMHKBDRBDSGIV-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000316210314 456613881 /nfs/dbraw/zinc/61/38/81/456613881.db2.gz XXXZBWQSIJMTCE-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000320384068 456628081 /nfs/dbraw/zinc/62/80/81/456628081.db2.gz AUORHYVVCCKBQT-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436476826 458310230 /nfs/dbraw/zinc/31/02/30/458310230.db2.gz GTXQZDQRKOKGBP-UHFFFAOYSA-N -2 3 347.314 3.220 20 0 EGADHL CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000481455704 459255120 /nfs/dbraw/zinc/25/51/20/459255120.db2.gz WXFWAOFXPGLZKB-UHFFFAOYSA-N -3 3 335.381 3.015 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000342962469 535401491 /nfs/dbraw/zinc/40/14/91/535401491.db2.gz ZBWVGNADNRXJSC-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CC(C)CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670370202 548203181 /nfs/dbraw/zinc/20/31/81/548203181.db2.gz NFHIZTRIBLEHLF-YVMONPNESA-N -2 3 328.368 3.476 20 0 EGADHL Cc1ccc(-c2cc(C(=O)OCc3ccc(F)cc3C(=O)[O-])[n-]n2)o1 ZINC000738487601 576331116 /nfs/dbraw/zinc/33/11/16/576331116.db2.gz CENQWHHSMMRVPD-UHFFFAOYSA-N -2 3 344.298 3.172 20 0 EGADHL Cc1ccc(-c2cc(C(=O)OCc3ccc(F)cc3C(=O)[O-])n[n-]2)o1 ZINC000738487601 576331117 /nfs/dbraw/zinc/33/11/17/576331117.db2.gz CENQWHHSMMRVPD-UHFFFAOYSA-N -2 3 344.298 3.172 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(Cl)c1 ZINC000738633192 576344112 /nfs/dbraw/zinc/34/41/12/576344112.db2.gz ZPYWQUOYBMWCOR-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1sc2cccc(F)c2c1COC(=O)c1cncc([O-])c1 ZINC000738714789 576354322 /nfs/dbraw/zinc/35/43/22/576354322.db2.gz YQPZLRIGWCLTQZ-UHFFFAOYSA-N -2 3 347.323 3.196 20 0 EGADHL O=C([O-])c1ccnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000740245635 576569545 /nfs/dbraw/zinc/56/95/45/576569545.db2.gz VILIOEFAFBSFMF-UHFFFAOYSA-N -2 3 348.358 3.329 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2cccs2)[n-]n1)c1ccc(F)cc1 ZINC000740290989 576574721 /nfs/dbraw/zinc/57/47/21/576574721.db2.gz KXYWPTWVQQGCJH-AWEZNQCLSA-N -2 3 346.339 3.260 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2cccs2)n[n-]1)c1ccc(F)cc1 ZINC000740290989 576574724 /nfs/dbraw/zinc/57/47/24/576574724.db2.gz KXYWPTWVQQGCJH-AWEZNQCLSA-N -2 3 346.339 3.260 20 0 EGADHL CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000390311133 601230266 /nfs/dbraw/zinc/23/02/66/601230266.db2.gz NNWGJUCPCBAQDR-JTQLQIEISA-N -2 3 349.399 3.300 20 0 EGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000007055803 601318416 /nfs/dbraw/zinc/31/84/16/601318416.db2.gz JJENMVXPBHMWPL-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1F ZINC000748639773 601474803 /nfs/dbraw/zinc/47/48/03/601474803.db2.gz HMIZZSSZYXMQBB-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000319952252 1297160469 /nfs/dbraw/zinc/16/04/69/1297160469.db2.gz XFTKRAJUNOAWOU-SNVBAGLBSA-N -2 3 325.792 3.009 20 0 EGADHL Cc1cc(C)c(C=CC=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000865224000 1329677556 /nfs/dbraw/zinc/67/75/56/1329677556.db2.gz NDNMAOUGPIHABX-YMBWGVAGSA-N -2 3 338.407 3.357 20 0 EGADHL C=CS(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001198620671 1369075687 /nfs/dbraw/zinc/07/56/87/1369075687.db2.gz KZBAQGYYNBHLPA-UHFFFAOYSA-N -2 3 346.124 3.059 20 0 EGADHL O=c1c(OC2CC2)c(-c2ccc(O)cc2)oc2cc([O-])cc([O-])c12 ZINC001225627622 1375134729 /nfs/dbraw/zinc/13/47/29/1375134729.db2.gz CUSWMLGYKYXVID-UHFFFAOYSA-N -2 3 326.304 3.118 20 0 EGADHL [S-]c1[n-]c(O[C@@H]2CCCc3c(Cl)ccnc32)nc2ncnc1-2 ZINC001226781368 1375332104 /nfs/dbraw/zinc/33/21/04/1375332104.db2.gz FSOVFLYFAJIMJO-SECBINFHSA-N -2 3 333.804 3.146 20 0 EGADHL C[C@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)C1=CC=C[CH]1 ZINC001230189341 1375962327 /nfs/dbraw/zinc/96/23/27/1375962327.db2.gz PYQVGWKOHMEHOB-HNNXBMFYSA-N -2 3 348.426 3.208 20 0 EGADHL O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168921589 1384059285 /nfs/dbraw/zinc/05/92/85/1384059285.db2.gz DRUSZEMAYXMGBU-UHFFFAOYSA-N -2 3 343.770 3.118 20 0 EGADHL CC(C)c1cnc([N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735933521 1426223804 /nfs/dbraw/zinc/22/38/04/1426223804.db2.gz YANJQJGOYADSTR-UHFFFAOYSA-N -2 3 342.428 3.018 20 0 EGADHL CC(C)c1cnc([N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735933521 1426223812 /nfs/dbraw/zinc/22/38/12/1426223812.db2.gz YANJQJGOYADSTR-UHFFFAOYSA-N -2 3 342.428 3.018 20 0 EGADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC001595012130 951253500 /nfs/dbraw/zinc/25/35/00/951253500.db2.gz OQKMSPJRRBAAQD-HNNXBMFYSA-N -2 3 327.380 3.405 20 0 EGADHL O=C([O-])CCSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001595063912 951531070 /nfs/dbraw/zinc/53/10/70/951531070.db2.gz JEFZNDZADLSBFJ-UHFFFAOYSA-N -2 3 336.394 3.365 20 0 EGADHL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001574692544 962653175 /nfs/dbraw/zinc/65/31/75/962653175.db2.gz WAUHIPNTNJDMMJ-GFCCVEGCSA-N -2 3 333.409 3.466 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cs1 ZINC000690246031 976282769 /nfs/dbraw/zinc/28/27/69/976282769.db2.gz CUKCMIHBGKSZCP-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001591941939 976464240 /nfs/dbraw/zinc/46/42/40/976464240.db2.gz KUIOSYNBGYRZOH-IBGZPJMESA-N -2 3 327.380 3.245 20 0 EGADHL C[C@](CNC(=O)c1cc([O-])c2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC001592693838 979145228 /nfs/dbraw/zinc/14/52/28/979145228.db2.gz GIIIKNXFTKOBAE-OAQYLSRUSA-N -2 3 349.386 3.318 20 0 EGADHL CC[C@](CNC(=O)c1cc([O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595158706 979669797 /nfs/dbraw/zinc/66/97/97/979669797.db2.gz CMNQIGRNNQCKJP-GOSISDBHSA-N -2 3 347.798 3.208 20 0 EGADHL CCC(CC)(CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909383093 981478171 /nfs/dbraw/zinc/47/81/71/981478171.db2.gz HDLRDTLUROJDDU-UHFFFAOYSA-N -2 3 333.306 3.032 20 0 EGADHL CC(=O)c1ccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1[O-] ZINC001589277439 985995019 /nfs/dbraw/zinc/99/50/19/985995019.db2.gz RGTVFUPIPITRGI-NSHDSACASA-N -2 3 341.363 3.110 20 0 EGADHL CCc1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c([O-])c1 ZINC001597491704 988018700 /nfs/dbraw/zinc/01/87/00/988018700.db2.gz AVWSCARYLHYVOG-UHFFFAOYSA-N -2 3 340.335 3.282 20 0 EGADHL CCc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)c([O-])c1 ZINC001597500929 988061117 /nfs/dbraw/zinc/06/11/17/988061117.db2.gz DJNDPTOVQSOPSF-MRXNPFEDSA-N -2 3 333.428 3.356 20 0 EGADHL CN(C(=O)c1cc([O-])c2ccccc2c1)C1(C(=O)[O-])CCCCC1 ZINC001598078852 990388728 /nfs/dbraw/zinc/38/87/28/990388728.db2.gz KBLOQHFKQOUBSP-UHFFFAOYSA-N -2 3 327.380 3.405 20 0 EGADHL C[C@@H]1C[C@@H](C(=O)[O-])CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001594209547 998810531 /nfs/dbraw/zinc/81/05/31/998810531.db2.gz DEANTSNXAOWGCM-KKFJDGPESA-N -2 3 346.210 3.162 20 0 EGADHL Cc1nc(C=Cc2ccccc2OC(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000193404037 240150935 /nfs/dbraw/zinc/15/09/35/240150935.db2.gz FTOCJHSRBNURKH-CSKARUKUSA-N -2 3 342.395 3.053 20 0 EGADHL CCCc1n[n-]c(=S)n1CC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116980372 221019505 /nfs/dbraw/zinc/01/95/05/221019505.db2.gz ASSDQNCVICMJQM-UHFFFAOYSA-N -2 3 340.836 3.199 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000318836421 154159576 /nfs/dbraw/zinc/15/95/76/154159576.db2.gz YLVACGIECFGAIT-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000336865041 154220674 /nfs/dbraw/zinc/22/06/74/154220674.db2.gz IQJUXHSKYMVKTD-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc2cccnc12 ZINC000349108494 156355203 /nfs/dbraw/zinc/35/52/03/156355203.db2.gz LHDLQBHJMNDEAY-WAYWQWQTSA-N -2 3 335.363 3.145 20 0 EGADHL O=C([O-])c1cnc(/C=C/c2cc([O-])ccc2Br)s1 ZINC000178992378 265355964 /nfs/dbraw/zinc/35/59/64/265355964.db2.gz ZUAJELXZGAFTJK-DAFODLJHSA-N -2 3 326.171 3.480 20 0 EGADHL O=S(=O)(CCc1cccc(Cl)c1)[N-]c1ccc(F)cc1[O-] ZINC000507961957 312086045 /nfs/dbraw/zinc/08/60/45/312086045.db2.gz AHJIDCFRYPKSHP-UHFFFAOYSA-N -2 3 329.780 3.169 20 0 EGADHL O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1cc(F)ccc1[O-] ZINC000555706100 315398421 /nfs/dbraw/zinc/39/84/21/315398421.db2.gz JPDHHPVETCQCOR-UHFFFAOYSA-N -2 3 335.400 3.078 20 0 EGADHL COc1ccccc1N=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000578838016 325025149 /nfs/dbraw/zinc/02/51/49/325025149.db2.gz IASRDVXLVVAYMP-UHFFFAOYSA-N -2 3 346.437 3.105 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3cnc(-c4ccco4)s3)n[n-]2)o1 ZINC000177822813 454910348 /nfs/dbraw/zinc/91/03/48/454910348.db2.gz LMEHYTFMQYIAPN-UHFFFAOYSA-N -2 3 341.352 3.342 20 0 EGADHL CC(C)(C)c1cc(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)no1 ZINC000267115866 455503401 /nfs/dbraw/zinc/50/34/01/455503401.db2.gz CMRHZKWVZHEBTL-UHFFFAOYSA-N -2 3 347.325 3.288 20 0 EGADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)[O-] ZINC000184904626 455469602 /nfs/dbraw/zinc/46/96/02/455469602.db2.gz VPHYZHXNFAZZAI-HNNXBMFYSA-N -2 3 347.436 3.449 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C ZINC000342970280 456338383 /nfs/dbraw/zinc/33/83/83/456338383.db2.gz HZDQPFJEMNTEAF-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)[O-] ZINC000358897683 457030024 /nfs/dbraw/zinc/03/00/24/457030024.db2.gz NIVRZHWGZZBQRI-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000339416930 457103099 /nfs/dbraw/zinc/10/30/99/457103099.db2.gz HAGUZDWACXHJNO-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1nc(C=Cc2ccc(OC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347417258 457415111 /nfs/dbraw/zinc/41/51/11/457415111.db2.gz MDPMBEKAODRHAG-TWGQIWQCSA-N -2 3 328.368 3.075 20 0 EGADHL Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c([O-])c1 ZINC000436647441 458351047 /nfs/dbraw/zinc/35/10/47/458351047.db2.gz KTACBVILOCUADB-UHFFFAOYSA-N -2 3 331.393 3.271 20 0 EGADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc([O-])ccc1Cl ZINC000431727322 458614137 /nfs/dbraw/zinc/61/41/37/458614137.db2.gz SYQHKRBCMYGNHP-UHFFFAOYSA-N -2 3 331.784 3.238 20 0 EGADHL Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([O-])c1 ZINC000621588437 459974346 /nfs/dbraw/zinc/97/43/46/459974346.db2.gz XVTXOFNLAONLEN-HOTGVXAUSA-N -2 3 325.364 3.131 20 0 EGADHL Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c([O-])c1 ZINC000618492132 460028717 /nfs/dbraw/zinc/02/87/17/460028717.db2.gz QQCHXRKNDXOHQR-UHFFFAOYSA-N -2 3 343.770 3.498 20 0 EGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)cc3)c1)CCCC2 ZINC000614732207 460215308 /nfs/dbraw/zinc/21/53/08/460215308.db2.gz QGPISHLZGNDFNA-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1CC ZINC000486101293 547968673 /nfs/dbraw/zinc/96/86/73/547968673.db2.gz YCKXXXMLRZANLX-UHFFFAOYSA-N -2 3 335.425 3.326 20 0 EGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1[O-] ZINC000678479238 549505600 /nfs/dbraw/zinc/50/56/00/549505600.db2.gz RLVWQRMBUVKBDJ-UHFFFAOYSA-N -2 3 346.408 3.029 20 0 EGADHL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000736416730 575953517 /nfs/dbraw/zinc/95/35/17/575953517.db2.gz QGRWLFWCTHRRKE-ZDUSSCGKSA-N -2 3 335.335 3.102 20 0 EGADHL Cc1cccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1[O-] ZINC000738682245 576350644 /nfs/dbraw/zinc/35/06/44/576350644.db2.gz PEQCFKILKKSVRV-UHFFFAOYSA-N -2 3 349.333 3.096 20 0 EGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000740075274 576543527 /nfs/dbraw/zinc/54/35/27/576543527.db2.gz HJZSFIVCPWZVJH-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c([O-])c1C ZINC000832911982 600763707 /nfs/dbraw/zinc/76/37/07/600763707.db2.gz CVVCYGFAGNMARX-ZDUSSCGKSA-N -2 3 325.364 3.228 20 0 EGADHL CC(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000827117825 600780340 /nfs/dbraw/zinc/78/03/40/600780340.db2.gz KIYPZFWZRMTMNR-INIZCTEOSA-N -2 3 327.380 3.114 20 0 EGADHL COc1cccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1[O-] ZINC000325292004 600880378 /nfs/dbraw/zinc/88/03/78/600880378.db2.gz NAHKPGBLUCYJSC-UHFFFAOYSA-N -2 3 329.352 3.015 20 0 EGADHL O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1c([O-])cccc1F ZINC001191893383 1367629129 /nfs/dbraw/zinc/62/91/29/1367629129.db2.gz FYNIVSMWBAXWLM-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=S(=O)(Cc1cc(F)ccc1F)[N-]c1c([O-])cccc1Cl ZINC001189688498 1367086393 /nfs/dbraw/zinc/08/63/93/1367086393.db2.gz LWELBHAMNNZYLR-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=S(=O)([N-]C1=CC=C[CH]1)c1cc(Br)ccc1Cl ZINC001189772357 1367106164 /nfs/dbraw/zinc/10/61/64/1367106164.db2.gz RJUSSMZCGHPNRZ-UHFFFAOYSA-N -2 3 333.614 3.039 20 0 EGADHL CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254383 1368408376 /nfs/dbraw/zinc/40/83/76/1368408376.db2.gz LFNOQNKMXWZVLX-SNVBAGLBSA-N -2 3 349.399 3.300 20 0 EGADHL CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254037 1368408435 /nfs/dbraw/zinc/40/84/35/1368408435.db2.gz FZLNHYOQXIODSU-JTQLQIEISA-N -2 3 349.399 3.158 20 0 EGADHL O=C([O-])Cc1ccc(F)c(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001216679229 1373331065 /nfs/dbraw/zinc/33/10/65/1373331065.db2.gz OIKMIJCRUUSXBO-UHFFFAOYSA-N -2 3 327.315 3.088 20 0 EGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)c1 ZINC001189188883 1388479547 /nfs/dbraw/zinc/47/95/47/1388479547.db2.gz UHRUSRBVSFMBGX-UHFFFAOYSA-N -2 3 348.405 3.005 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(F)c(F)c1 ZINC001259090466 1377121180 /nfs/dbraw/zinc/12/11/80/1377121180.db2.gz VTHKNMQYAPFXJC-UHFFFAOYSA-N -2 3 337.706 3.264 20 0 EGADHL COc1ccc2ncc([O-])c(C(=O)Nc3ccc(F)c([O-])c3)c2c1 ZINC001154514598 1380295279 /nfs/dbraw/zinc/29/52/79/1380295279.db2.gz CRNRRDCIBDOMOX-UHFFFAOYSA-N -2 3 328.299 3.046 20 0 EGADHL O=C(CCC1CC1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737823878 1429618542 /nfs/dbraw/zinc/61/85/42/1429618542.db2.gz LVOYXQFUURZLPW-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL O=C(CCC1CC1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737823878 1429618545 /nfs/dbraw/zinc/61/85/45/1429618545.db2.gz LVOYXQFUURZLPW-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL CC(C)[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824191485 1427140343 /nfs/dbraw/zinc/14/03/43/1427140343.db2.gz FWNMCTOCUDFPRQ-SNVBAGLBSA-N -2 3 342.428 3.221 20 0 EGADHL CC(C)[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824191485 1427140353 /nfs/dbraw/zinc/14/03/53/1427140353.db2.gz FWNMCTOCUDFPRQ-SNVBAGLBSA-N -2 3 342.428 3.221 20 0 EGADHL CC(C)c1ccc(CCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820192575 1446850187 /nfs/dbraw/zinc/85/01/87/1446850187.db2.gz UVNMGZOESUUVQT-UHFFFAOYSA-N -2 3 342.428 3.018 20 0 EGADHL CC(C)c1ccc(CCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820192575 1446850192 /nfs/dbraw/zinc/85/01/92/1446850192.db2.gz UVNMGZOESUUVQT-UHFFFAOYSA-N -2 3 342.428 3.018 20 0 EGADHL O=C([O-])c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1F ZINC000324258919 971102582 /nfs/dbraw/zinc/10/25/82/971102582.db2.gz JJCMCLXKPIZTPA-UHFFFAOYSA-N -2 3 326.283 3.030 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000324631092 971140972 /nfs/dbraw/zinc/14/09/72/971140972.db2.gz ALQPYMJTGFXPPD-UHFFFAOYSA-N -2 3 349.408 3.074 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c([O-])c1 ZINC001591942906 976473945 /nfs/dbraw/zinc/47/39/45/976473945.db2.gz MIKWSZOJSJSDLS-MRXNPFEDSA-N -2 3 345.370 3.080 20 0 EGADHL C[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001592465209 978204163 /nfs/dbraw/zinc/20/41/63/978204163.db2.gz AGPLVEFUNDOTPK-MRVPVSSYSA-N -2 3 349.811 3.034 20 0 EGADHL O=C([O-])[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000910235570 981800274 /nfs/dbraw/zinc/80/02/74/981800274.db2.gz ITBMYFYKGPGOEB-ZDUSSCGKSA-N -2 3 325.792 3.057 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000013264952 304250479 /nfs/dbraw/zinc/25/04/79/304250479.db2.gz IDYXAXBZXBGGME-UHFFFAOYSA-N -2 3 345.298 3.204 20 0 EGADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc([O-])ccc1Cl ZINC000342840867 141152167 /nfs/dbraw/zinc/15/21/67/141152167.db2.gz AVGYSGOYTWHUQJ-UHFFFAOYSA-N -2 3 349.724 3.388 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)c1C(=O)[O-] ZINC000156271672 307829891 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O=S(=O)([N-]c1cccc([O-])c1F)c1cccc(Br)c1 ZINC000127880889 455005883 /nfs/dbraw/zinc/00/58/83/455005883.db2.gz BNIRBPNRSQCNIN-UHFFFAOYSA-N -2 3 346.177 3.095 20 0 EGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000179752643 323403394 /nfs/dbraw/zinc/40/33/94/323403394.db2.gz QRNJZHXALJHQFW-UHFFFAOYSA-N -2 3 325.361 3.119 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc(C)c1F ZINC000076041164 453952742 /nfs/dbraw/zinc/95/27/42/453952742.db2.gz AFGSQWSWPHVZCV-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000055581677 453996960 /nfs/dbraw/zinc/99/69/60/453996960.db2.gz MJIOLZKIFLPUKC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1C ZINC000058391608 454196248 /nfs/dbraw/zinc/19/62/48/454196248.db2.gz CBJHWAKUCOWBGE-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000045945457 454198644 /nfs/dbraw/zinc/19/86/44/454198644.db2.gz 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ZINC000263557161 456167358 /nfs/dbraw/zinc/16/73/58/456167358.db2.gz PCAISJCSDPOXDY-CYBMUJFWSA-N -2 3 339.391 3.061 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(C(=O)[O-])c1C ZINC000348478873 456704636 /nfs/dbraw/zinc/70/46/36/456704636.db2.gz SMBSEBOAIGWIKX-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc(C)c1F ZINC000358849036 457003881 /nfs/dbraw/zinc/00/38/81/457003881.db2.gz BXKNATFCGNWOQG-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CC(=O)c1ccc([O-])c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000436840842 458391878 /nfs/dbraw/zinc/39/18/78/458391878.db2.gz SDQRMUYUIWEHRK-UHFFFAOYSA-N -2 3 331.343 3.401 20 0 EGADHL O=C(Nc1cc(F)ccc1[O-])c1cccc(Br)c1[O-] ZINC000530657875 458807046 /nfs/dbraw/zinc/80/70/46/458807046.db2.gz CSILGCJQPMGCAM-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CCOc1cc(CN2CCC[C@@H](CC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000573902020 459753016 /nfs/dbraw/zinc/75/30/16/459753016.db2.gz PKAUYQJDWXHOSM-NSHDSACASA-N -2 3 327.808 3.131 20 0 EGADHL CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736975705 576068960 /nfs/dbraw/zinc/06/89/60/576068960.db2.gz VCCFKFVHPJTGRG-JQWIXIFHSA-N -2 3 331.459 3.084 20 0 EGADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccc2cc1[O-] ZINC000738165846 576296076 /nfs/dbraw/zinc/29/60/76/576296076.db2.gz FJWSZNHHHLUKBD-UHFFFAOYSA-N -2 3 349.325 3.117 20 0 EGADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2cc1[O-] ZINC000738165846 576296080 /nfs/dbraw/zinc/29/60/80/576296080.db2.gz FJWSZNHHHLUKBD-UHFFFAOYSA-N -2 3 349.325 3.117 20 0 EGADHL O=C([O-])c1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)s1 ZINC000740114389 576549396 /nfs/dbraw/zinc/54/93/96/576549396.db2.gz CLFZAXUQODTXJV-UHFFFAOYSA-N -2 3 349.368 3.356 20 0 EGADHL O=C([O-])c1sc2ccccc2c1COC(=O)c1cncc([O-])c1 ZINC000740291269 576574684 /nfs/dbraw/zinc/57/46/84/576574684.db2.gz UTXYICRTCGNJOB-UHFFFAOYSA-N -2 3 329.333 3.057 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000833350807 600667272 /nfs/dbraw/zinc/66/72/72/600667272.db2.gz LVBLOJZWVBZPND-GFCCVEGCSA-N -2 3 342.134 3.077 20 0 EGADHL Cc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1[O-] ZINC000832963497 604901776 /nfs/dbraw/zinc/90/17/76/604901776.db2.gz UWHZMKIWMSYJMR-UHFFFAOYSA-N -2 3 335.743 3.070 20 0 EGADHL CC(=O)c1cccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c1[O-] ZINC000808187264 1317642822 /nfs/dbraw/zinc/64/28/22/1317642822.db2.gz AWRRPZYGEPMRLQ-UHFFFAOYSA-N -2 3 328.349 3.277 20 0 EGADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc(Cl)nc1Cl ZINC001187967384 1388200908 /nfs/dbraw/zinc/20/09/08/1388200908.db2.gz WSIXCIPNEZMLKU-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL COc1cc(C(=O)[O-])cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001244176067 1377035490 /nfs/dbraw/zinc/03/54/90/1377035490.db2.gz QVQLQSJPTGDNBQ-UHFFFAOYSA-N -2 3 330.287 3.158 20 0 EGADHL CC(C)[C@H](C)C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735701783 1442211502 /nfs/dbraw/zinc/21/15/02/1442211502.db2.gz MKTNUPIEHZEGDL-JTQLQIEISA-N -2 3 342.428 3.221 20 0 EGADHL CC(C)[C@H](C)C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735701783 1442211507 /nfs/dbraw/zinc/21/15/07/1442211507.db2.gz MKTNUPIEHZEGDL-JTQLQIEISA-N -2 3 342.428 3.221 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(=O)[O-])c1 ZINC000323368498 970994874 /nfs/dbraw/zinc/99/48/74/970994874.db2.gz ZEWHUVDZRJUFEN-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C([O-])CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC001594980242 950980131 /nfs/dbraw/zinc/98/01/31/950980131.db2.gz PCXXKHWLCGIITA-UHFFFAOYSA-N -2 3 339.391 3.110 20 0 EGADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001595015383 951280685 /nfs/dbraw/zinc/28/06/85/951280685.db2.gz VGCSBGWCSYEIGF-NSHDSACASA-N -2 3 333.409 3.324 20 0 EGADHL CCc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1C ZINC000392192576 972424842 /nfs/dbraw/zinc/42/48/42/972424842.db2.gz BKVCINXQEGAMNV-XFFZJAGNSA-N -2 3 345.420 3.456 20 0 EGADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1 ZINC001259212364 960663184 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CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000013078555 211519385 /nfs/dbraw/zinc/51/93/85/211519385.db2.gz MCYXEXWHQKURIR-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)c1 ZINC000338130262 141098475 /nfs/dbraw/zinc/09/84/75/141098475.db2.gz ZPXTYSAHJCIPRA-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1nc(C=Cc2cc3cc(F)ccc3o2)[n-]c(=O)c1CC(=O)[O-] ZINC000349108627 156355825 /nfs/dbraw/zinc/35/58/25/156355825.db2.gz LWMZQZBGDWURPR-HYXAFXHYSA-N -2 3 328.299 3.173 20 0 EGADHL O=C([O-])c1nc(/C=C/c2cccc([O-])c2)sc1Br ZINC000352014014 165191765 /nfs/dbraw/zinc/19/17/65/165191765.db2.gz NQIAKSLGSVOQSN-SNAWJCMRSA-N -2 3 326.171 3.480 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1C(=O)[O-] ZINC000323201578 308768454 /nfs/dbraw/zinc/76/84/54/308768454.db2.gz KQIVNAYNSHFPRF-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC[C@H](CS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-])OC ZINC000421152684 309315256 /nfs/dbraw/zinc/31/52/56/309315256.db2.gz LGZNDSOWSPOTCG-MRXNPFEDSA-N -2 3 349.452 3.150 20 0 EGADHL Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c([O-])c1 ZINC000436775497 309773329 /nfs/dbraw/zinc/77/33/29/309773329.db2.gz PZXMWAKZQNHODB-UHFFFAOYSA-N -2 3 329.352 3.197 20 0 EGADHL O=S(=O)(CCc1cccc(Cl)c1)[N-]c1cc(F)ccc1[O-] ZINC000507908372 312084764 /nfs/dbraw/zinc/08/47/64/312084764.db2.gz KVXAJKNEWGDECH-UHFFFAOYSA-N -2 3 329.780 3.169 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000538266352 314235904 /nfs/dbraw/zinc/23/59/04/314235904.db2.gz CNMBNXRTIZGHGZ-UHFFFAOYSA-N -2 3 329.377 3.355 20 0 EGADHL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000548211463 314986497 /nfs/dbraw/zinc/98/64/97/314986497.db2.gz PPXRHGCCEIXDPX-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000386932330 324269891 /nfs/dbraw/zinc/26/98/91/324269891.db2.gz NRLYFSGVRWNIGG-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000045946780 454198868 /nfs/dbraw/zinc/19/88/68/454198868.db2.gz UHSSKQCFYXKESD-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(F)c1 ZINC000045946896 454199330 /nfs/dbraw/zinc/19/93/30/454199330.db2.gz JPLIYTLZJNWEOY-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000058519087 454212053 /nfs/dbraw/zinc/21/20/53/454212053.db2.gz OYVWKDUNRYHTAN-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000074591667 454605969 /nfs/dbraw/zinc/60/59/69/454605969.db2.gz WJNQJBSBNZEEBS-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCCCC(=O)[O-] ZINC000338338022 456776569 /nfs/dbraw/zinc/77/65/69/456776569.db2.gz PKKKRLSOVYPDAC-UHFFFAOYSA-N -2 3 349.408 3.039 20 0 EGADHL Cc1nc(C=Cc2cccc(OC(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347387706 457395414 /nfs/dbraw/zinc/39/54/14/457395414.db2.gz XJUVUYSTHMVOKI-BQYQJAHWSA-N -2 3 328.368 3.075 20 0 EGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1F ZINC000548262515 458856566 /nfs/dbraw/zinc/85/65/66/458856566.db2.gz IIVAOLIFMWCLTR-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CC1(C)CCc2cc(C=Cc3ncc(C(=O)[O-])c(=O)[n-]3)ccc2O1 ZINC000637794750 461721762 /nfs/dbraw/zinc/72/17/62/461721762.db2.gz BNZGGGOTULDSFF-XQRVVYSFSA-N -2 3 326.352 3.154 20 0 EGADHL CC(C)C[C@H](CNCc1cccc([O-])c1Br)CC(=O)[O-] ZINC000665352263 462413704 /nfs/dbraw/zinc/41/37/04/462413704.db2.gz BOTDUFAKCHXSMW-NSHDSACASA-N -2 3 344.249 3.381 20 0 EGADHL Cc1cc(Cl)cc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1[O-] ZINC000738400178 574633775 /nfs/dbraw/zinc/63/37/75/574633775.db2.gz ZILBCOZMYJPSIP-UHFFFAOYSA-N -2 3 335.743 3.070 20 0 EGADHL CC(C)c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)c([O-])c(C(C)C)c1 ZINC000736515670 575976084 /nfs/dbraw/zinc/97/60/84/575976084.db2.gz PHQRZLOHEQRJJN-UHFFFAOYSA-N -2 3 345.399 3.172 20 0 EGADHL CC[C@]([N-]C(=O)C(F)(F)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736907344 576056743 /nfs/dbraw/zinc/05/67/43/576056743.db2.gz PRTJXEHYQUWQHX-QGZVFWFLSA-N -2 3 333.334 3.285 20 0 EGADHL CN(CCCC(=O)[O-])C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000737433262 576228480 /nfs/dbraw/zinc/22/84/80/576228480.db2.gz MDEDYMFEFVNGLS-UHFFFAOYSA-N -2 3 329.352 3.121 20 0 EGADHL O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000833311224 601335658 /nfs/dbraw/zinc/33/56/58/601335658.db2.gz CVRDONCAOUNECC-UHFFFAOYSA-N -2 3 342.170 3.167 20 0 EGADHL O=C([O-])CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2o1 ZINC000826461022 607884454 /nfs/dbraw/zinc/88/44/54/607884454.db2.gz CBDHAONQGOGTEG-FMIVXFBMSA-N -2 3 347.334 3.023 20 0 EGADHL O=C([O-])CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2o1 ZINC000826461022 607884455 /nfs/dbraw/zinc/88/44/55/607884455.db2.gz CBDHAONQGOGTEG-FMIVXFBMSA-N -2 3 347.334 3.023 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])sc1Cl ZINC000231806565 1296171012 /nfs/dbraw/zinc/17/10/12/1296171012.db2.gz ZKCNECSZRMOSKM-UHFFFAOYSA-N -2 3 339.866 3.023 20 0 EGADHL C[C@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC[C@H]1C(=O)[O-] ZINC000909530394 1318488105 /nfs/dbraw/zinc/48/81/05/1318488105.db2.gz SMLFRYKDOPAZPK-KXBFYZLASA-N -2 3 327.380 3.309 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)ccc1Cl ZINC001185524524 1387738520 /nfs/dbraw/zinc/73/85/20/1387738520.db2.gz HTTUAIBPSUDKAU-UHFFFAOYSA-N -2 3 333.743 3.433 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC001185909492 1387826077 /nfs/dbraw/zinc/82/60/77/1387826077.db2.gz XAFAGHYRDTXLGU-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cccc(C)c1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001194602648 1368294290 /nfs/dbraw/zinc/29/42/90/1368294290.db2.gz IRCSCPNNRIUILM-UHFFFAOYSA-N -2 3 334.422 3.420 20 0 EGADHL COc1cccc(CS(=O)(=O)[N-]c2c([O-])ccc3ccccc32)c1 ZINC001197380316 1368802012 /nfs/dbraw/zinc/80/20/12/1368802012.db2.gz HFWJREMUUQUIKZ-UHFFFAOYSA-N -2 3 343.404 3.496 20 0 EGADHL COc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1C(=O)[O-] ZINC001209902070 1372227681 /nfs/dbraw/zinc/22/76/81/1372227681.db2.gz XGIZIBMWAQVIJB-UHFFFAOYSA-N -2 3 325.324 3.028 20 0 EGADHL [O-]c1ccc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)nc1 ZINC001212557937 1372726772 /nfs/dbraw/zinc/72/67/72/1372726772.db2.gz IYMDYIBLVLFYBB-UHFFFAOYSA-N -2 3 328.378 3.403 20 0 EGADHL C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)C1=CC=C[CH]1 ZINC001230189342 1375961878 /nfs/dbraw/zinc/96/18/78/1375961878.db2.gz PYQVGWKOHMEHOB-OAHLLOKOSA-N -2 3 348.426 3.208 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2oc3ccccc3c2c1 ZINC001153947060 1380160132 /nfs/dbraw/zinc/16/01/32/1380160132.db2.gz HVDPXWBVJVLXAH-UHFFFAOYSA-N -2 3 347.307 3.274 20 0 EGADHL COc1cc(C(=O)[O-])ccc1Nc1ncc(Br)cc1[O-] ZINC001174671087 1385132133 /nfs/dbraw/zinc/13/21/33/1385132133.db2.gz RKIPYBVRSOPARQ-UHFFFAOYSA-N -2 3 339.145 3.000 20 0 EGADHL CCS(=O)(=O)c1ccc([O-])c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670465 1385653872 /nfs/dbraw/zinc/65/38/72/1385653872.db2.gz VTXBRVJIVZGBDH-UHFFFAOYSA-N -2 3 347.314 3.052 20 0 EGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826272124 1425482757 /nfs/dbraw/zinc/48/27/57/1425482757.db2.gz VKAWYDSAEBXPET-QMMMGPOBSA-N -2 3 348.819 3.177 20 0 EGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826272124 1425482761 /nfs/dbraw/zinc/48/27/61/1425482761.db2.gz VKAWYDSAEBXPET-QMMMGPOBSA-N -2 3 348.819 3.177 20 0 EGADHL CC(C)CCC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824244800 1428047608 /nfs/dbraw/zinc/04/76/08/1428047608.db2.gz UDCUYQWISWCCSM-UHFFFAOYSA-N -2 3 342.428 3.365 20 0 EGADHL CC(C)CCC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824244800 1428047616 /nfs/dbraw/zinc/04/76/16/1428047616.db2.gz UDCUYQWISWCCSM-UHFFFAOYSA-N -2 3 342.428 3.365 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000325501277 971221538 /nfs/dbraw/zinc/22/15/38/971221538.db2.gz AKXYHVIEOYEVLH-UHFFFAOYSA-N -2 3 349.383 3.051 20 0 EGADHL CCCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC001589654765 949811023 /nfs/dbraw/zinc/81/10/23/949811023.db2.gz VRDPYPDWETWANS-UHFFFAOYSA-N -2 3 343.379 3.199 20 0 EGADHL CC(C)(CCNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001573474228 958949883 /nfs/dbraw/zinc/94/98/83/958949883.db2.gz KIOSSHMSMMTIDX-UHFFFAOYSA-N -2 3 341.407 3.214 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594192836 959172485 /nfs/dbraw/zinc/17/24/85/959172485.db2.gz ICKSGUFFQJVYSR-DZGCQCFKSA-N -2 3 343.404 3.157 20 0 EGADHL O=C([O-])c1coc(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000228148593 959992666 /nfs/dbraw/zinc/99/26/66/959992666.db2.gz ACEIIVLWLDMVEF-UHFFFAOYSA-N -2 3 346.083 3.271 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCCC2)c(F)cc1Cl ZINC001259212420 960662684 /nfs/dbraw/zinc/66/26/84/960662684.db2.gz OISDQJFQVZOVKP-UHFFFAOYSA-N -2 3 349.811 3.036 20 0 EGADHL Cc1cccc([C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C(=O)[O-])c1 ZINC001594393678 970219091 /nfs/dbraw/zinc/21/90/91/970219091.db2.gz OPHJRQCENYATHL-GOSISDBHSA-N -2 3 335.359 3.410 20 0 EGADHL CC(C)c1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001591942751 976472557 /nfs/dbraw/zinc/47/25/57/976472557.db2.gz ICSBORUOIJTJDX-INIZCTEOSA-N -2 3 345.370 3.253 20 0 EGADHL CC(C)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C(=O)[O-])c1 ZINC001591968982 976568029 /nfs/dbraw/zinc/56/80/29/976568029.db2.gz VJDBRVPESXXYNO-UHFFFAOYSA-N -2 3 341.367 3.134 20 0 EGADHL CCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001595617206 981650427 /nfs/dbraw/zinc/65/04/27/981650427.db2.gz UPOLBFAACXWPSE-UHFFFAOYSA-N -2 3 349.811 3.036 20 0 EGADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC001597785929 989307986 /nfs/dbraw/zinc/30/79/86/989307986.db2.gz UQMNSQQLSXXYCX-UHFFFAOYSA-N -2 3 347.751 3.134 20 0 EGADHL CC(C)(C)c1nc([N-]C(=O)c2cc(Cl)no2)sc1C(=O)[O-] ZINC001590543984 990174214 /nfs/dbraw/zinc/17/42/14/990174214.db2.gz ABBZIAJUEPNTAV-UHFFFAOYSA-N -2 3 329.765 3.033 20 0 EGADHL Cc1nc(C=Cc2cnc(-c3ccco3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105764 156355134 /nfs/dbraw/zinc/35/51/34/156355134.db2.gz HHSNBVJOVSMDJZ-PLNGDYQASA-N -2 3 343.364 3.005 20 0 EGADHL Cc1nc(C=Cc2cccc(-c3ccccn3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349113117 156356663 /nfs/dbraw/zinc/35/66/63/156356663.db2.gz QBHQCTMDDZJKGB-CMDGGOBGSA-N -2 3 347.374 3.350 20 0 EGADHL Cc1nc(C=Cc2nc3ccc(F)cc3s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349115324 156356739 /nfs/dbraw/zinc/35/67/39/156356739.db2.gz XJXSDAYIGUYHBX-SNAWJCMRSA-N -2 3 345.355 3.037 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000357018124 166564168 /nfs/dbraw/zinc/56/41/68/166564168.db2.gz LQFZHABXVIKIIN-UHFFFAOYSA-N -2 3 339.800 3.076 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000230215602 266204679 /nfs/dbraw/zinc/20/46/79/266204679.db2.gz XEDIHSVEOCOHMB-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1C ZINC000013058947 275120572 /nfs/dbraw/zinc/12/05/72/275120572.db2.gz XQURWGSBQUFCCK-UHFFFAOYSA-N -2 3 347.436 3.348 20 0 EGADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315402034 308766016 /nfs/dbraw/zinc/76/60/16/308766016.db2.gz GLXRRBGNETUKJC-RYUDHWBXSA-N -2 3 345.486 3.330 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000320693755 308767332 /nfs/dbraw/zinc/76/73/32/308767332.db2.gz MYWZCVQJSDFGOH-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1F ZINC000507582808 312078300 /nfs/dbraw/zinc/07/83/00/312078300.db2.gz YQBFNRQINDYMPC-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C ZINC000512598713 312190062 /nfs/dbraw/zinc/19/00/62/312190062.db2.gz USPKIMBZIDWOMP-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000042985476 454035097 /nfs/dbraw/zinc/03/50/97/454035097.db2.gz KZLGXQHLQJLLDN-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL Cc1ccc2c(CSc3n[n-]c(=NC4CC4)s3)ccc([O-])c2n1 ZINC000570755519 317102491 /nfs/dbraw/zinc/10/24/91/317102491.db2.gz XLRIYDQORCOISU-UHFFFAOYSA-N -2 3 344.465 3.389 20 0 EGADHL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000574128161 317563439 /nfs/dbraw/zinc/56/34/39/317563439.db2.gz ZGCQNZMQTOHXFF-UHFFFAOYSA-N -2 3 349.408 3.363 20 0 EGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000013033085 453440034 /nfs/dbraw/zinc/44/00/34/453440034.db2.gz XNKLPHATSBZGPK-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL Cc1ccc(-c2cc(C(=O)[N-]c3n[n-]c(C(F)(F)F)n3)on2)cc1 ZINC000031277135 453843851 /nfs/dbraw/zinc/84/38/51/453843851.db2.gz CPVALSUFAJXDPF-UHFFFAOYSA-N -2 3 337.261 3.039 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000076195299 453978130 /nfs/dbraw/zinc/97/81/30/453978130.db2.gz VJNDEFLAEQJRHU-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000045946086 454199422 /nfs/dbraw/zinc/19/94/22/454199422.db2.gz QAELDFRQQVXHFC-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1OC(C)C ZINC000131533903 454262623 /nfs/dbraw/zinc/26/26/23/454262623.db2.gz QNMTXWJDBSVUMR-UHFFFAOYSA-N -2 3 339.388 3.428 20 0 EGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000047318083 454356533 /nfs/dbraw/zinc/35/65/33/454356533.db2.gz ZRHABQIVWFTCSP-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(CC(=O)[O-])cc2)CC)n1 ZINC000629075925 460640637 /nfs/dbraw/zinc/64/06/37/460640637.db2.gz NBVLRUXUXDBJNZ-GDNBJRDFSA-N -2 3 326.396 3.300 20 0 EGADHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1cnc(-c2ccco2)s1 ZINC000170892580 454996373 /nfs/dbraw/zinc/99/63/73/454996373.db2.gz DCRPZNRPAHEQBJ-UHFFFAOYSA-N -2 3 327.325 3.034 20 0 EGADHL Cc1nc(C=Cc2cccc(OC(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347387708 457395561 /nfs/dbraw/zinc/39/55/61/457395561.db2.gz XJUVUYSTHMVOKI-FPLPWBNLSA-N -2 3 328.368 3.075 20 0 EGADHL O=C([O-])c1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000357401107 457497686 /nfs/dbraw/zinc/49/76/86/457497686.db2.gz NVQNDSYFSIHREI-GHRIWEEISA-N -2 3 332.359 3.251 20 0 EGADHL O=C(Nc1ccc(Cl)cc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000436736454 458371418 /nfs/dbraw/zinc/37/14/18/458371418.db2.gz FWPMMWKBJFNKGH-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436771684 458378314 /nfs/dbraw/zinc/37/83/14/458378314.db2.gz ASOGFJLATCIGTQ-CQSZACIVSA-N -2 3 337.734 3.049 20 0 EGADHL CCSc1n[n-]c(=NC(=O)c2cc(C(C)C)c([O-])cc2C)s1 ZINC000436857966 458394046 /nfs/dbraw/zinc/39/40/46/458394046.db2.gz RMOSLNBUAIEQEB-UHFFFAOYSA-N -2 3 337.470 3.462 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])sc1Cl ZINC000530487556 458777031 /nfs/dbraw/zinc/77/70/31/458777031.db2.gz BLQCNVQTIQBZKN-VIFPVBQESA-N -2 3 339.866 3.022 20 0 EGADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CCc2cccs2)c1[O-] ZINC000477499058 459046015 /nfs/dbraw/zinc/04/60/15/459046015.db2.gz MGZVYBNMFDKPFW-UHFFFAOYSA-N -2 3 331.846 3.400 20 0 EGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000559693351 459272931 /nfs/dbraw/zinc/27/29/31/459272931.db2.gz QNXNTNDWBZABHN-JTQLQIEISA-N -2 3 336.251 3.475 20 0 EGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC ZINC000583205941 459500812 /nfs/dbraw/zinc/50/08/12/459500812.db2.gz AJNSNESYQFXMJG-CYBMUJFWSA-N -2 3 343.445 3.033 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCCc3ccccc32)cc1C(=O)[O-] ZINC000576156022 460080798 /nfs/dbraw/zinc/08/07/98/460080798.db2.gz SLDHCSQLBSJNMH-HNNXBMFYSA-N -2 3 349.408 3.032 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000630423831 461111119 /nfs/dbraw/zinc/11/11/19/461111119.db2.gz PTMULORJRMOYGI-DLBZAZTESA-N -2 3 345.420 3.238 20 0 EGADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1C(C)(C)C ZINC000637796426 461722217 /nfs/dbraw/zinc/72/22/17/461722217.db2.gz WUYCZICUQWJTIG-VURMDHGXSA-N -2 3 328.368 3.357 20 0 EGADHL O=C([O-])c1ccccc1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000648442920 462121344 /nfs/dbraw/zinc/12/13/44/462121344.db2.gz RMIBBISHSWYYFS-UHFFFAOYSA-N -2 3 325.364 3.110 20 0 EGADHL Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(C)c1OC(F)F ZINC000670369780 548202261 /nfs/dbraw/zinc/20/22/61/548202261.db2.gz AYMTZPGUQQWSNL-ARJAWSKDSA-N -2 3 336.294 3.269 20 0 EGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000736920173 576060935 /nfs/dbraw/zinc/06/09/35/576060935.db2.gz JFBBEQJGQYBZEG-ZETCQYMHSA-N -2 3 349.817 3.122 20 0 EGADHL O=C([O-])[C@@H](CNC(=O)c1ccccc1[O-])Cc1cccc2ccccc21 ZINC000739403699 576408227 /nfs/dbraw/zinc/40/82/27/576408227.db2.gz RDGGHDBDMMWERJ-MRXNPFEDSA-N -2 3 349.386 3.219 20 0 EGADHL O=C([O-])Nc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1F ZINC000740006821 576530889 /nfs/dbraw/zinc/53/08/89/576530889.db2.gz FCOJMXWPRZWAEE-UHFFFAOYSA-N -2 3 341.298 3.009 20 0 EGADHL O=C([O-])Nc1cc(NC(=O)c2cnc3ccccc3c2[O-])ccc1F ZINC000740006821 576530890 /nfs/dbraw/zinc/53/08/90/576530890.db2.gz FCOJMXWPRZWAEE-UHFFFAOYSA-N -2 3 341.298 3.009 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000830254063 600762135 /nfs/dbraw/zinc/76/21/35/600762135.db2.gz SOFSQEHPTWJMNM-ZDUSSCGKSA-N -2 3 325.364 3.173 20 0 EGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013346204 601317827 /nfs/dbraw/zinc/31/78/27/601317827.db2.gz GCMJJYWKAMDVLP-DHZHZOJOSA-N -2 3 331.393 3.202 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cc(C)c(C(=O)[O-])o3)n[n-]2)o1 ZINC000832905512 604569648 /nfs/dbraw/zinc/56/96/48/604569648.db2.gz APHLKQLKBBVTLI-JTQLQIEISA-N -2 3 344.323 3.496 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cc(C)c(C(=O)[O-])o3)[n-]n2)o1 ZINC000832905512 604569652 /nfs/dbraw/zinc/56/96/52/604569652.db2.gz APHLKQLKBBVTLI-JTQLQIEISA-N -2 3 344.323 3.496 20 0 EGADHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000182495492 1295053933 /nfs/dbraw/zinc/05/39/33/1295053933.db2.gz SWMXYPSOTNPGBB-UHFFFAOYSA-N -2 3 337.706 3.264 20 0 EGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000182493086 1295054220 /nfs/dbraw/zinc/05/42/20/1295054220.db2.gz KNZPKXAMBQCPQB-UHFFFAOYSA-N -2 3 325.773 3.049 20 0 EGADHL COc1cccc2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)oc21 ZINC000794711820 1309580601 /nfs/dbraw/zinc/58/06/01/1309580601.db2.gz FDLDKRDRHHXZGX-SREVYHEPSA-N -2 3 340.335 3.043 20 0 EGADHL O=C([O-])CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000909059798 1318430965 /nfs/dbraw/zinc/43/09/65/1318430965.db2.gz QCYAFGIKDHZCPX-UHFFFAOYSA-N -2 3 337.391 3.148 20 0 EGADHL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909134155 1318442104 /nfs/dbraw/zinc/44/21/04/1318442104.db2.gz LZZFMIAOPZAGBW-UHFFFAOYSA-N -2 3 345.370 3.211 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC001184697851 1387512493 /nfs/dbraw/zinc/51/24/93/1387512493.db2.gz YUMWFLULKFCOAG-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=S(=O)([N-]C1=CC=C[CH]1)c1ccc(Br)cc1Cl ZINC001184824828 1387545548 /nfs/dbraw/zinc/54/55/48/1387545548.db2.gz RDCCJCOBIDRCBH-UHFFFAOYSA-N -2 3 333.614 3.039 20 0 EGADHL O=P([O-])([O-])CCCCO[C@@H](c1ccccc1)C1CCOCC1 ZINC001225019234 1375089086 /nfs/dbraw/zinc/08/90/86/1375089086.db2.gz VCPWKBVLFRHTNZ-INIZCTEOSA-N -2 3 328.345 3.129 20 0 EGADHL CC(=O)c1cccc([O-])c1NC(=O)c1ccc2ccc(C)nc2c1[O-] ZINC001155658885 1380479589 /nfs/dbraw/zinc/47/95/89/1380479589.db2.gz VBQPRCYMNAALRE-UHFFFAOYSA-N -2 3 336.347 3.409 20 0 EGADHL O=C([O-])/C=C/c1cccc(Nc2ncc(Br)cc2[O-])c1 ZINC001174495493 1385113753 /nfs/dbraw/zinc/11/37/53/1385113753.db2.gz SDYASMOUVNDAIW-SNAWJCMRSA-N -2 3 335.157 3.391 20 0 EGADHL O=C([O-])[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC001574546633 961949940 /nfs/dbraw/zinc/94/99/40/961949940.db2.gz DJWXMMVESAWKIF-QGZVFWFLSA-N -2 3 339.322 3.240 20 0 EGADHL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc([O-])ccc1Cl ZINC000319169574 970510459 /nfs/dbraw/zinc/51/04/59/970510459.db2.gz MUSZPNJBLOZQQH-CQSZACIVSA-N -2 3 325.792 3.199 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC000793348645 978802993 /nfs/dbraw/zinc/80/29/93/978802993.db2.gz ATSZMFABXMGSHF-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCCCC1CCC(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001595661827 982078216 /nfs/dbraw/zinc/07/82/16/982078216.db2.gz ZQVZISFMVXJGDD-UHFFFAOYSA-N -2 3 343.445 3.253 20 0 EGADHL CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c([O-])c1 ZINC001597500805 988058890 /nfs/dbraw/zinc/05/88/90/988058890.db2.gz WSFWFDMLKZJQQH-QGZVFWFLSA-N -2 3 327.380 3.127 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000003319823 210005404 /nfs/dbraw/zinc/00/54/04/210005404.db2.gz BNAXNEQTVZMMGE-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL CC(C)(C)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000080925728 217341017 /nfs/dbraw/zinc/34/10/17/217341017.db2.gz GHPAJUVASUSROK-CYBMUJFWSA-N -2 3 327.446 3.001 20 0 EGADHL Cc1nc(C=Cc2cccc(-c3cccnc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105217 156355129 /nfs/dbraw/zinc/35/51/29/156355129.db2.gz GMKJDHSYKOTQGL-BQYQJAHWSA-N -2 3 347.374 3.350 20 0 EGADHL Cc1nc(C=Cc2ccc3c(c2)CC(C)(C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000349116370 156358669 /nfs/dbraw/zinc/35/86/69/156358669.db2.gz ZNMLJXSSRCPXOV-ALCCZGGFSA-N -2 3 340.379 3.002 20 0 EGADHL Cc1ccc(-c2cc(C(=O)N=c3cc(-c4ccccc4)o[n-]3)[n-]n2)o1 ZINC000359362127 167136711 /nfs/dbraw/zinc/13/67/11/167136711.db2.gz ONFFNTDYUXTIQY-UHFFFAOYSA-N -2 3 334.335 3.307 20 0 EGADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1 ZINC000274391643 267229221 /nfs/dbraw/zinc/22/92/21/267229221.db2.gz PQVOTZPQUGOOPO-LLVKDONJSA-N -2 3 340.379 3.210 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000315152247 308765719 /nfs/dbraw/zinc/76/57/19/308765719.db2.gz VNYFVGQDACUONI-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)cc1C ZINC000478705243 310862955 /nfs/dbraw/zinc/86/29/55/310862955.db2.gz WLFQZDGZAQLDNB-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc([O-])c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000532273642 313777785 /nfs/dbraw/zinc/77/77/85/313777785.db2.gz FOQQELHQISNWCX-UHFFFAOYSA-N -2 3 336.185 3.099 20 0 EGADHL O=C(N=c1cc2ccccn2[n-]1)c1c[n-]nc1-c1ccc(Cl)cc1 ZINC000553320837 315257514 /nfs/dbraw/zinc/25/75/14/315257514.db2.gz TUMHQPMLDFTYFV-UHFFFAOYSA-N -2 3 337.770 3.052 20 0 EGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cncc([O-])c1 ZINC000174916659 323312886 /nfs/dbraw/zinc/31/28/86/323312886.db2.gz HQLZDTZCMMMMEG-UHFFFAOYSA-N -2 3 343.564 3.161 20 0 EGADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000032081177 453864201 /nfs/dbraw/zinc/86/42/01/453864201.db2.gz QKIQRCPEWROYGZ-UHFFFAOYSA-N -2 3 333.409 3.384 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000045945760 454198922 /nfs/dbraw/zinc/19/89/22/454198922.db2.gz BLGZISISTMQQNT-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000047317879 454355328 /nfs/dbraw/zinc/35/53/28/454355328.db2.gz HHAHDVGBZSREJX-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000048382854 454484508 /nfs/dbraw/zinc/48/45/08/454484508.db2.gz DMNSFHJWMLIIMD-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cccc1C(=O)[O-] ZINC000065844510 454631164 /nfs/dbraw/zinc/63/11/64/454631164.db2.gz USSDTRPVLYKGOM-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1 ZINC000152922621 454742833 /nfs/dbraw/zinc/74/28/33/454742833.db2.gz GHJLGQWVPZBPRB-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1 ZINC000340326470 456387883 /nfs/dbraw/zinc/38/78/83/456387883.db2.gz JROIMFPBNYQZIM-UHFFFAOYSA-N -2 3 334.759 3.270 20 0 EGADHL Cc1nc(C=Cc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347380217 457390130 /nfs/dbraw/zinc/39/01/30/457390130.db2.gz HZRTYYHHFHFIRT-DAXSKMNVSA-N -2 3 338.285 3.307 20 0 EGADHL CCc1cc(OC)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443443573 457765769 /nfs/dbraw/zinc/76/57/69/457765769.db2.gz ISZWUUCOPQKELJ-TWGQIWQCSA-N -2 3 342.395 3.249 20 0 EGADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000547872099 458809790 /nfs/dbraw/zinc/80/97/90/458809790.db2.gz VSWAZFQIMPRPGR-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000476765914 459016737 /nfs/dbraw/zinc/01/67/37/459016737.db2.gz UVZDAIYEOIHKPB-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CC(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000481446916 459255312 /nfs/dbraw/zinc/25/53/12/459255312.db2.gz BAXOTZPFRVVYHA-UHFFFAOYSA-N -3 3 335.381 3.015 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C1CCCCC1 ZINC000656624156 461809227 /nfs/dbraw/zinc/80/92/27/461809227.db2.gz LXOVAKMXVHVTNU-OAHLLOKOSA-N -2 3 327.446 3.038 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC000507630677 548009905 /nfs/dbraw/zinc/00/99/05/548009905.db2.gz RPPKWAMUJKYIBD-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000736984548 576070925 /nfs/dbraw/zinc/07/09/25/576070925.db2.gz MEVWMFSJPXMQQM-LBPRGKRZSA-N -2 3 331.434 3.251 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737051615 576091827 /nfs/dbraw/zinc/09/18/27/576091827.db2.gz WJTFNPFVAHEVOZ-UHFFFAOYSA-N -2 3 348.424 3.208 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737267869 576195551 /nfs/dbraw/zinc/19/55/51/576195551.db2.gz MPJRLFPXIOMKKE-UHFFFAOYSA-N -2 3 338.360 3.279 20 0 EGADHL COc1cc(C)cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1[O-] ZINC000737868572 576268515 /nfs/dbraw/zinc/26/85/15/576268515.db2.gz SWLIDHOOTMDUIG-UHFFFAOYSA-N -2 3 344.367 3.071 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000738655444 576346916 /nfs/dbraw/zinc/34/69/16/576346916.db2.gz WFSSQJOTHJSAEN-UHFFFAOYSA-N -2 3 349.408 3.039 20 0 EGADHL O=C([O-])[C@@H](Sc1n[n-]c(-c2ccccn2)n1)c1cccc(Cl)c1 ZINC000739513908 576422549 /nfs/dbraw/zinc/42/25/49/576422549.db2.gz SWZWKQNKJXXBHW-LBPRGKRZSA-N -2 3 346.799 3.438 20 0 EGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2sccc2C2CC2)s1 ZINC000739710147 576499504 /nfs/dbraw/zinc/49/95/04/576499504.db2.gz ALZVQZGCPREGQJ-UHFFFAOYSA-N -2 3 337.426 3.137 20 0 EGADHL COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c([O-])c1 ZINC000832169733 600980515 /nfs/dbraw/zinc/98/05/15/600980515.db2.gz FWFQOXNVQMSHOQ-AWEZNQCLSA-N -2 3 349.770 3.000 20 0 EGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000319778642 601318281 /nfs/dbraw/zinc/31/82/81/601318281.db2.gz GCMJJYWKAMDVLP-FLIBITNWSA-N -2 3 331.393 3.202 20 0 EGADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Cl)cc1 ZINC000776651024 601583933 /nfs/dbraw/zinc/58/39/33/601583933.db2.gz TZAMSGMYFKMJCO-ZDUSSCGKSA-N -2 3 339.725 3.374 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1C(=O)[O-] ZINC000748642995 1299054649 /nfs/dbraw/zinc/05/46/49/1299054649.db2.gz QDLBKJQPSGGNDY-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793351365 1309351723 /nfs/dbraw/zinc/35/17/23/1309351723.db2.gz WSQCJYLWOVGSAO-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1C ZINC001185914230 1387826705 /nfs/dbraw/zinc/82/67/05/1387826705.db2.gz MRHDLPMTILJTDZ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccc2n[nH]cc2c1 ZINC001185987439 1387842472 /nfs/dbraw/zinc/84/24/72/1387842472.db2.gz JMUUNRXYQMTZTH-UHFFFAOYSA-N -2 3 339.829 3.306 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC001192142894 1367699834 /nfs/dbraw/zinc/69/98/34/1367699834.db2.gz VYHTWGSSZNRZKT-UHFFFAOYSA-N -2 3 347.436 3.430 20 0 EGADHL C[Si](C)(C)CCS(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F ZINC001195073813 1368372089 /nfs/dbraw/zinc/37/20/89/1368372089.db2.gz LSQWBTFWLFXBCY-UHFFFAOYSA-N -2 3 341.427 3.491 20 0 EGADHL [S-]c1[n-]c(O[C@@H](c2ccccc2)c2ccccn2)nc2ncnc1-2 ZINC001226784436 1375333426 /nfs/dbraw/zinc/33/34/26/1375333426.db2.gz GFDCWOSIGVTCBH-AWEZNQCLSA-N -2 3 335.392 3.205 20 0 EGADHL O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc(F)ccc1[O-] ZINC001189103943 1388459021 /nfs/dbraw/zinc/45/90/21/1388459021.db2.gz OYCJXSNCHXOUOV-UHFFFAOYSA-N -2 3 329.780 3.169 20 0 EGADHL CC(C)C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)CC(=O)[O-] ZINC001588894274 962222379 /nfs/dbraw/zinc/22/23/79/962222379.db2.gz JDIKLIOGAYOTBQ-NSHDSACASA-N -2 3 335.425 3.474 20 0 EGADHL O=C([O-])c1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001606511642 974004352 /nfs/dbraw/zinc/00/43/52/974004352.db2.gz KPKXPZYSVXBYAN-UHFFFAOYSA-N -2 3 327.361 3.235 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001597556000 988284888 /nfs/dbraw/zinc/28/48/88/988284888.db2.gz DWCCXKASJUYJSY-UHFFFAOYSA-N -2 3 329.352 3.060 20 0 EGADHL CSc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1C(=O)[O-] ZINC001599821038 988514466 /nfs/dbraw/zinc/51/44/66/988514466.db2.gz WNTIWMCJCRBYOW-UHFFFAOYSA-N -2 3 331.397 3.092 20 0 EGADHL CC(C)(CSCc1nc2c3ccccc3oc2c(=O)[n-]1)C(=O)[O-] ZINC001590820243 990653275 /nfs/dbraw/zinc/65/32/75/990653275.db2.gz KVSZBIBRBWLZSW-UHFFFAOYSA-N -2 3 332.381 3.426 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000005134989 210397031 /nfs/dbraw/zinc/39/70/31/210397031.db2.gz WZYFILAQYCNNIV-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1C(=O)[O-] ZINC000180023656 265394153 /nfs/dbraw/zinc/39/41/53/265394153.db2.gz PKNFRVNXFXFABR-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000362124171 294895988 /nfs/dbraw/zinc/89/59/88/294895988.db2.gz JMNFQNHDKJVJJU-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc(C(F)(F)F)c1 ZINC000127885827 307591710 /nfs/dbraw/zinc/59/17/10/307591710.db2.gz XDFWFQDZBCGGQH-UHFFFAOYSA-N -2 3 335.278 3.351 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000320671011 308767338 /nfs/dbraw/zinc/76/73/38/308767338.db2.gz JNKVDNISZVEEMC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)c1 ZINC000442227998 309879962 /nfs/dbraw/zinc/87/99/62/309879962.db2.gz HQHJBZLIDOCHEZ-UHFFFAOYSA-N -2 3 341.816 3.472 20 0 EGADHL O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000495165330 311540093 /nfs/dbraw/zinc/54/00/93/311540093.db2.gz DKTRVRIZGCNLIW-UHFFFAOYSA-N -2 3 343.770 3.323 20 0 EGADHL Cc1cc(C)c(C(=O)[O-])cc1C=Cc1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000515081800 312264738 /nfs/dbraw/zinc/26/47/38/312264738.db2.gz CPSOERXCYLULRN-ONEGZZNKSA-N -2 3 347.374 3.317 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Cl)c1 ZINC000070156430 454166772 /nfs/dbraw/zinc/16/67/72/454166772.db2.gz FUWGHDUJJKKMJP-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cs1 ZINC000070156458 454167054 /nfs/dbraw/zinc/16/70/54/454167054.db2.gz PFCBYNSUSDRFCW-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000535766648 314071233 /nfs/dbraw/zinc/07/12/33/314071233.db2.gz YFUZBWAKKCHISS-UHFFFAOYSA-N -2 3 325.361 3.121 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000024432802 453732970 /nfs/dbraw/zinc/73/29/70/453732970.db2.gz FRUXGWAHISEEBL-UHFFFAOYSA-N -2 3 345.351 3.478 20 0 EGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000057123666 454103158 /nfs/dbraw/zinc/10/31/58/454103158.db2.gz RVALFEYAAICMDR-LBPRGKRZSA-N -2 3 349.408 3.363 20 0 EGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000347869583 456416976 /nfs/dbraw/zinc/41/69/76/456416976.db2.gz CSYBQFPZFNVTRF-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(-c2cc(=NC(=O)Cc3ccc([O-])cc3Cl)[nH][n-]2)s1 ZINC000353150385 456523844 /nfs/dbraw/zinc/52/38/44/456523844.db2.gz WMRSYFGPQNTRTF-UHFFFAOYSA-N -2 3 347.827 3.409 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1Cl ZINC000318894752 456619788 /nfs/dbraw/zinc/61/97/88/456619788.db2.gz PEFRIFVGYRDAIZ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1C ZINC000325039766 456677831 /nfs/dbraw/zinc/67/78/31/456677831.db2.gz PFOUBDLFBABQSP-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000390838395 457447589 /nfs/dbraw/zinc/44/75/89/457447589.db2.gz AXBMUDQSXDBSBC-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL COc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479222 458311184 /nfs/dbraw/zinc/31/11/84/458311184.db2.gz PRYKRHSLGKKIJI-UHFFFAOYSA-N -2 3 347.314 3.220 20 0 EGADHL COc1cccc(N=c2[n-]nc(SCc3ncccc3[O-])s2)c1 ZINC000555874322 458915841 /nfs/dbraw/zinc/91/58/41/458915841.db2.gz VQKWFULQXMZCBO-UHFFFAOYSA-N -2 3 346.437 3.105 20 0 EGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC ZINC000583205948 459501631 /nfs/dbraw/zinc/50/16/31/459501631.db2.gz AJNSNESYQFXMJG-ZDUSSCGKSA-N -2 3 343.445 3.033 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000542731110 459586173 /nfs/dbraw/zinc/58/61/73/459586173.db2.gz BDZWWVCHLGGKIZ-ZDUSSCGKSA-N -2 3 347.436 3.313 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000507569048 548008731 /nfs/dbraw/zinc/00/87/31/548008731.db2.gz QERMZJLEOLXBOJ-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL O=C([O-])c1cnc(C=Cc2csc(-c3ccsc3)n2)[n-]c1=O ZINC000670370057 548202086 /nfs/dbraw/zinc/20/20/86/548202086.db2.gz TZPJFKQCFKVHLF-OWOJBTEDSA-N -2 3 331.378 3.236 20 0 EGADHL O=C([O-])c1cnc(C=Cc2nc(-c3ccccc3)cs2)[n-]c1=O ZINC000670370100 548202296 /nfs/dbraw/zinc/20/22/96/548202296.db2.gz XISKWMJSSZNHFV-VOTSOKGWSA-N -2 3 325.349 3.174 20 0 EGADHL C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736564050 575985451 /nfs/dbraw/zinc/98/54/51/575985451.db2.gz WKJINNZGBHJIRR-LLVKDONJSA-N -2 3 329.418 3.005 20 0 EGADHL CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736975707 576068979 /nfs/dbraw/zinc/06/89/79/576068979.db2.gz VCCFKFVHPJTGRG-ZYHUDNBSSA-N -2 3 331.459 3.084 20 0 EGADHL Cc1ccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c([O-])c1C ZINC000738513509 576333203 /nfs/dbraw/zinc/33/32/03/576333203.db2.gz PFCJTIOEIYFYQD-UHFFFAOYSA-N -2 3 328.368 3.371 20 0 EGADHL O=C([O-])[C@H]1CN(C(=O)c2cc3c(cc2[O-])CCCC3)c2ccccc21 ZINC000739613958 576434677 /nfs/dbraw/zinc/43/46/77/576434677.db2.gz MGTYFCWPSIQLOB-INIZCTEOSA-N -2 3 337.375 3.100 20 0 EGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000740147170 576554852 /nfs/dbraw/zinc/55/48/52/576554852.db2.gz ZSGIKWRYTZIFOZ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])CCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000326953327 599769844 /nfs/dbraw/zinc/76/98/44/599769844.db2.gz KDKKZNJFCZKDIZ-UHFFFAOYSA-N -2 3 336.347 3.210 20 0 EGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000182496713 1295053090 /nfs/dbraw/zinc/05/30/90/1295053090.db2.gz PAFMNLZEYZXUCD-UHFFFAOYSA-N -2 3 325.773 3.049 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc(C(=O)[O-])c1F ZINC000325245113 1297223213 /nfs/dbraw/zinc/22/32/13/1297223213.db2.gz WUBQKXNQNBKZCG-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)[O-])c1Cl ZINC000759092925 1301013744 /nfs/dbraw/zinc/01/37/44/1301013744.db2.gz ZGMNBHHJQINPEL-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761231513 1301425857 /nfs/dbraw/zinc/42/58/57/1301425857.db2.gz MVDOXTRGRRTRSF-UHFFFAOYSA-N -2 3 340.228 3.160 20 0 EGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1nnc2ccccc2c1[O-] ZINC000771510386 1303414946 /nfs/dbraw/zinc/41/49/46/1303414946.db2.gz ILSKTORGMWGGQT-UHFFFAOYSA-N -2 3 333.706 3.086 20 0 EGADHL O=C([O-])c1cccc2c1CCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000907981643 1318287641 /nfs/dbraw/zinc/28/76/41/1318287641.db2.gz CZPGSMYECTWFDY-UHFFFAOYSA-N -2 3 343.354 3.142 20 0 EGADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000821186290 1320002574 /nfs/dbraw/zinc/00/25/74/1320002574.db2.gz VNHAJRFDAFPUFT-UHFFFAOYSA-N -2 3 339.413 3.373 20 0 EGADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC001189498974 1367036939 /nfs/dbraw/zinc/03/69/39/1367036939.db2.gz NYDPFUDKNJYAFY-UHFFFAOYSA-N -2 3 346.330 3.056 20 0 EGADHL Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cccc([O-])c1Cl ZINC001201760626 1369618755 /nfs/dbraw/zinc/61/87/55/1369618755.db2.gz OXSBCVWQKPNRKJ-UHFFFAOYSA-N -2 3 339.225 3.265 20 0 EGADHL O=C([O-])c1cc(F)cc(Nc2ncc(Br)cc2[O-])c1 ZINC001209887147 1372222855 /nfs/dbraw/zinc/22/28/55/1372222855.db2.gz UVROAPMFFRTQSB-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL FC(F)(F)[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1 ZINC001226780637 1375332212 /nfs/dbraw/zinc/33/22/12/1375332212.db2.gz RYQYUIPIGAZGPM-VIFPVBQESA-N -2 3 326.303 3.324 20 0 EGADHL O=C(Nc1cccc([O-])c1F)c1cc(Br)cc(F)c1[O-] ZINC001151092458 1379660867 /nfs/dbraw/zinc/66/08/67/1379660867.db2.gz HVUAOQMPULHJQO-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL O=C([O-])c1cc(Nc2ncc(Br)cc2[O-])ccc1F ZINC001175215681 1385222526 /nfs/dbraw/zinc/22/25/26/1385222526.db2.gz QDZSYZCNSJHIHJ-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826272123 1427842188 /nfs/dbraw/zinc/84/21/88/1427842188.db2.gz VKAWYDSAEBXPET-MRVPVSSYSA-N -2 3 348.819 3.177 20 0 EGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826272123 1427842193 /nfs/dbraw/zinc/84/21/93/1427842193.db2.gz VKAWYDSAEBXPET-MRVPVSSYSA-N -2 3 348.819 3.177 20 0 EGADHL O=C([O-])c1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])ccn1 ZINC001595209833 952359779 /nfs/dbraw/zinc/35/97/79/952359779.db2.gz LBUDHYPDWBEQNO-UHFFFAOYSA-N -2 3 348.358 3.329 20 0 EGADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001589435311 954682907 /nfs/dbraw/zinc/68/29/07/954682907.db2.gz GJBCRBKDOYFGGT-QGZVFWFLSA-N -2 3 341.407 3.113 20 0 EGADHL O=C([O-])C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000391592231 972349464 /nfs/dbraw/zinc/34/94/64/972349464.db2.gz FUEWYHZLHOVFSR-SNVBAGLBSA-N -2 3 331.755 3.264 20 0 EGADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259224199 960691316 /nfs/dbraw/zinc/69/13/16/960691316.db2.gz WFOROVJBBRHRMM-GFCCVEGCSA-N -2 3 349.811 3.034 20 0 EGADHL O=C([O-])CC1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCC1 ZINC001344552032 962201538 /nfs/dbraw/zinc/20/15/38/962201538.db2.gz XQUKTOPIRRYOIY-UHFFFAOYSA-N -2 3 337.391 3.005 20 0 EGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C2CCCCCC2)c1F ZINC000314112930 963713543 /nfs/dbraw/zinc/71/35/43/963713543.db2.gz NRRSWSSICJFWHJ-UHFFFAOYSA-N -2 3 349.811 3.178 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001604964707 972552204 /nfs/dbraw/zinc/55/22/04/972552204.db2.gz BFDRONFKMOGGSU-LBPRGKRZSA-N -2 3 325.430 3.123 20 0 EGADHL CC(C)c1sc([N-]C(=O)c2ocnc2C(F)F)nc1C(=O)[O-] ZINC001592114996 976911848 /nfs/dbraw/zinc/91/18/48/976911848.db2.gz QMTZNJLCWDIAHP-UHFFFAOYSA-N -2 3 331.300 3.143 20 0 EGADHL CC[C@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001594937578 982601217 /nfs/dbraw/zinc/60/12/17/982601217.db2.gz WRMPSNCNOCSATC-QPUJVOFHSA-N -2 3 335.297 3.062 20 0 EGADHL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC001597445250 987816351 /nfs/dbraw/zinc/81/63/51/987816351.db2.gz JJXJRUOMWCGGOV-UHFFFAOYSA-N -2 3 343.401 3.090 20 0 EGADHL CSc1ccc([O-])c(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])c1 ZINC001599820356 988503285 /nfs/dbraw/zinc/50/32/85/988503285.db2.gz VQYBESNXFYPIDD-LBPRGKRZSA-N -2 3 337.441 3.125 20 0 EGADHL COc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001599374047 998458479 /nfs/dbraw/zinc/45/84/79/998458479.db2.gz IWHTXCJBGUVLSJ-UHFFFAOYSA-N -2 3 341.363 3.230 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000033047683 212892745 /nfs/dbraw/zinc/89/27/45/212892745.db2.gz WEULWMKRNXZAQC-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000341052882 155130011 /nfs/dbraw/zinc/13/00/11/155130011.db2.gz SRWZZUAZSLSEJO-ONEGZZNKSA-N -2 3 346.408 3.185 20 0 EGADHL CCCCOc1ccccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349114046 156357025 /nfs/dbraw/zinc/35/70/25/156357025.db2.gz TWWURWHKGIQEAC-MDZDMXLPSA-N -2 3 342.395 3.467 20 0 EGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000113456728 162210544 /nfs/dbraw/zinc/21/05/44/162210544.db2.gz OOXMOQCZTBRQCU-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000237406395 266233349 /nfs/dbraw/zinc/23/33/49/266233349.db2.gz XQUHZEVQSQQHPG-CQSZACIVSA-N -2 3 327.380 3.064 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1F ZINC000319231529 308766819 /nfs/dbraw/zinc/76/68/19/308766819.db2.gz VBVXOUYVJPBODU-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000320597957 308767381 /nfs/dbraw/zinc/76/73/81/308767381.db2.gz XDQNZNPOOFZYBU-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL CCSc1ccc(Cl)cc1[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC000439931505 309842419 /nfs/dbraw/zinc/84/24/19/309842419.db2.gz ZMCSCGKRQWIVPO-UHFFFAOYSA-N -2 3 337.788 3.193 20 0 EGADHL O=C([O-])CCCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000455832619 310378777 /nfs/dbraw/zinc/37/87/77/310378777.db2.gz PAPGJKVJJNJFMH-UHFFFAOYSA-N -2 3 341.820 3.166 20 0 EGADHL O=C([O-])CCCCCNC(=O)c1cn[n-]c1-c1ccc(Cl)s1 ZINC000455832619 310378778 /nfs/dbraw/zinc/37/87/78/310378778.db2.gz PAPGJKVJJNJFMH-UHFFFAOYSA-N -2 3 341.820 3.166 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000501861174 311955269 /nfs/dbraw/zinc/95/52/69/311955269.db2.gz NCNURFJBHNUOET-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Cl ZINC000576214489 324569157 /nfs/dbraw/zinc/56/91/57/324569157.db2.gz GKXHTAWERPWGBO-UHFFFAOYSA-N -2 3 345.779 3.303 20 0 EGADHL CC[C@@H](C)c1n[n-]c([C@@H](C)N=c2nc(-c3ccccc3)[n-]s2)n1 ZINC000581226714 325342845 /nfs/dbraw/zinc/34/28/45/325342845.db2.gz RLBZQANUQNBBTH-GHMZBOCLSA-N -2 3 328.445 3.432 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(C)c1C(=O)[O-] ZINC000156326415 455105172 /nfs/dbraw/zinc/10/51/72/455105172.db2.gz SJBGIZYDYUYNLW-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c(C(C)C)c1 ZINC000263290517 456119949 /nfs/dbraw/zinc/11/99/49/456119949.db2.gz YRUAWSNKHUQWMF-MLGOLLRUSA-N -2 3 333.428 3.432 20 0 EGADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000263557162 456167729 /nfs/dbraw/zinc/16/77/29/456167729.db2.gz PCAISJCSDPOXDY-ZDUSSCGKSA-N -2 3 339.391 3.061 20 0 EGADHL CSc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427322704 457973835 /nfs/dbraw/zinc/97/38/35/457973835.db2.gz UVNIILGDWNGNIO-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1OC(C)C ZINC000447262818 458277594 /nfs/dbraw/zinc/27/75/94/458277594.db2.gz GQLKBVACWRCKJA-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)cc1C(=O)[O-] ZINC000567797997 459168626 /nfs/dbraw/zinc/16/86/26/459168626.db2.gz HSUGZQNFAOOCGM-UHFFFAOYSA-N -2 3 349.408 3.034 20 0 EGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1[O-])C(C)C ZINC000647122373 461508478 /nfs/dbraw/zinc/50/84/78/461508478.db2.gz CAAZVAZVGTYXLC-HNNXBMFYSA-N -2 3 329.462 3.102 20 0 EGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C)ccc1[O-])C1CCCCC1 ZINC000656624479 461809861 /nfs/dbraw/zinc/80/98/61/461809861.db2.gz PSZYCTMXMQXNLM-INIZCTEOSA-N -2 3 327.446 3.038 20 0 EGADHL O=C([O-])c1cnc(-c2cc(F)ccc2OC[C@H]2CCCCO2)c([O-])c1 ZINC000657204877 461989353 /nfs/dbraw/zinc/98/93/53/461989353.db2.gz XAEDHMCUXDPBQF-CYBMUJFWSA-N -2 3 347.342 3.239 20 0 EGADHL CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736404017 575951480 /nfs/dbraw/zinc/95/14/80/575951480.db2.gz NZYYGKWOUFNCEY-UHFFFAOYSA-N -2 3 333.475 3.185 20 0 EGADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000736522917 575977465 /nfs/dbraw/zinc/97/74/65/575977465.db2.gz KCFFGZILNMATMG-UHFFFAOYSA-N -2 3 349.408 3.074 20 0 EGADHL O=C([O-])C1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000738544469 576335888 /nfs/dbraw/zinc/33/58/88/576335888.db2.gz QQQQELXVHAKWII-UHFFFAOYSA-N -2 3 341.363 3.121 20 0 EGADHL Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)n[n-]2)o1 ZINC000832906232 601723791 /nfs/dbraw/zinc/72/37/91/601723791.db2.gz UXEIFODYNFMUEN-UHFFFAOYSA-N -2 3 344.298 3.172 20 0 EGADHL Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])c(F)c3)[n-]n2)o1 ZINC000832906232 601723793 /nfs/dbraw/zinc/72/37/93/601723793.db2.gz UXEIFODYNFMUEN-UHFFFAOYSA-N -2 3 344.298 3.172 20 0 EGADHL CCC(CC)(CC)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391212284 602318809 /nfs/dbraw/zinc/31/88/09/602318809.db2.gz QGSWPXVIFVNDIC-UHFFFAOYSA-N -2 3 349.399 3.158 20 0 EGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c1C(=O)[O-] ZINC000318698228 602320469 /nfs/dbraw/zinc/32/04/69/602320469.db2.gz IADZOQVIMBFQIX-UHFFFAOYSA-N -2 3 343.788 3.357 20 0 EGADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000833741427 605126561 /nfs/dbraw/zinc/12/65/61/605126561.db2.gz MJMLGJOJGLUGAA-SREVYHEPSA-N -2 3 341.385 3.306 20 0 EGADHL O=C([O-])c1ccc2c(c1)N(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000908065473 1318297276 /nfs/dbraw/zinc/29/72/76/1318297276.db2.gz RJHLBDUMQDJUHV-UHFFFAOYSA-N -2 3 343.354 3.142 20 0 EGADHL C[C@@]1(NC(=O)c2cc([O-])c3ccccc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000909530375 1318488456 /nfs/dbraw/zinc/48/84/56/1318488456.db2.gz SMLFRYKDOPAZPK-DNVCBOLYSA-N -2 3 327.380 3.309 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1Cl ZINC001184696173 1387511931 /nfs/dbraw/zinc/51/19/31/1387511931.db2.gz QGHNCFZJDKWGKO-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ncc([O-])cc2Cl)ccc1Cl ZINC001185500181 1387733449 /nfs/dbraw/zinc/73/34/49/1387733449.db2.gz YOKUHNKHPRKHBI-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(Cl)c1[O-] ZINC001192035434 1367672353 /nfs/dbraw/zinc/67/23/53/1367672353.db2.gz UAQMJXVBGBSAFM-UHFFFAOYSA-N -2 3 339.027 3.423 20 0 EGADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001195284931 1368414806 /nfs/dbraw/zinc/41/48/06/1368414806.db2.gz QRRAMIYAQLTOOZ-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL COc1ccc(Nc2cccc(Cl)c2[O-])c(S(=O)(=O)[O-])c1 ZINC001210223252 1372298055 /nfs/dbraw/zinc/29/80/55/1372298055.db2.gz QHTWJCXLWKYCNM-UHFFFAOYSA-N -2 3 329.761 3.045 20 0 EGADHL O=S(=O)([O-])c1cc(Cl)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213381768 1372897155 /nfs/dbraw/zinc/89/71/55/1372897155.db2.gz GBGYUNRMOLUBQE-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL [S-]c1[n-]c(O[C@H](c2ccccc2)c2ccccn2)nc2ncnc1-2 ZINC001226784438 1375333960 /nfs/dbraw/zinc/33/39/60/1375333960.db2.gz GFDCWOSIGVTCBH-CQSZACIVSA-N -2 3 335.392 3.205 20 0 EGADHL O=C(Nc1ccc(C(=O)C2CC2)cc1)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152680617 1379968842 /nfs/dbraw/zinc/96/88/42/1379968842.db2.gz RSJIWWSVLPXACO-UHFFFAOYSA-N -2 3 348.358 3.491 20 0 EGADHL O=S(=O)([O-])c1ccc(Nc2c(F)ccc([O-])c2F)c(Cl)c1 ZINC001175269805 1385236538 /nfs/dbraw/zinc/23/65/38/1385236538.db2.gz MMAZXWQSMLNERZ-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL O=C([O-])C1(c2ccc(Nc3ncc(Br)cc3[O-])cc2)CC1 ZINC001176582303 1385630796 /nfs/dbraw/zinc/63/07/96/1385630796.db2.gz MKYDCEJVMQPKGT-UHFFFAOYSA-N -2 3 349.184 3.410 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1OC(C)C ZINC000323893773 971053382 /nfs/dbraw/zinc/05/33/82/971053382.db2.gz NZLMCULMTVVXEP-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL C[C@]([N-]C(=O)C(F)(F)c1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC001589088283 955915330 /nfs/dbraw/zinc/91/53/30/955915330.db2.gz OFRVQLOMCHENIT-MRXNPFEDSA-N -2 3 337.297 3.034 20 0 EGADHL C[C@H](NC(=O)c1cc2sccc2c([O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115571 956094725 /nfs/dbraw/zinc/09/47/25/956094725.db2.gz XJQUBBUEJWEUKC-TVYUQYBPSA-N -2 3 347.436 3.472 20 0 EGADHL C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115570 956095651 /nfs/dbraw/zinc/09/56/51/956095651.db2.gz XJQUBBUEJWEUKC-JIMOISOXSA-N -2 3 347.436 3.472 20 0 EGADHL Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)c([O-])c1 ZINC001123296739 960452060 /nfs/dbraw/zinc/45/20/60/960452060.db2.gz JSLRODWOVSSFEK-HNNXBMFYSA-N -2 3 342.395 3.105 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c([O-])c1 ZINC001591941868 976462502 /nfs/dbraw/zinc/46/25/02/976462502.db2.gz HGJBPIHBQZGCGE-MRXNPFEDSA-N -2 3 349.333 3.350 20 0 EGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000793350235 978803051 /nfs/dbraw/zinc/80/30/51/978803051.db2.gz JHWXPGGOFFSWKD-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL CCC(CC)(CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000909374654 981475976 /nfs/dbraw/zinc/47/59/76/981475976.db2.gz GODMYXSRFQZYRF-UHFFFAOYSA-N -2 3 325.380 3.004 20 0 EGADHL O=C([O-])[C@H](CNC(=O)c1cc([O-])ccc1Cl)C1CCCCCC1 ZINC000923177297 982828434 /nfs/dbraw/zinc/82/84/34/982828434.db2.gz NIWBFQTXTOREKF-CQSZACIVSA-N -2 3 339.819 3.447 20 0 EGADHL C[C@H]1CC[C@@](NC(=O)CCCc2ccc([O-])c(F)c2)(C(=O)[O-])CC1 ZINC001599908371 984952332 /nfs/dbraw/zinc/95/23/32/984952332.db2.gz WPJKFPPTGDKFLP-KSMLVUNXSA-N -2 3 337.391 3.004 20 0 EGADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c([O-])c1 ZINC001597500804 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EGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456791131 310422576 /nfs/dbraw/zinc/42/25/76/310422576.db2.gz XJAZSAFXFBKYPW-UHFFFAOYSA-N -2 3 337.326 3.024 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc(C(=O)[O-])c1C ZINC000471114900 310733862 /nfs/dbraw/zinc/73/38/62/310733862.db2.gz WVYUCSSHJYESNB-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000531383707 313663136 /nfs/dbraw/zinc/66/31/36/313663136.db2.gz MTJKFZXQDNLIMN-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000230215620 456134071 /nfs/dbraw/zinc/13/40/71/456134071.db2.gz XHCGSLSGLTYSJD-UHFFFAOYSA-N -2 3 329.761 3.049 20 0 EGADHL Cc1ccc([O-])c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000055315179 453975546 /nfs/dbraw/zinc/97/55/46/453975546.db2.gz WWNAPBONBVUUFN-UHFFFAOYSA-N -2 3 339.391 3.141 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000042793001 454026023 /nfs/dbraw/zinc/02/60/23/454026023.db2.gz BFEWJAWIVGZVTQ-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000044257261 454093487 /nfs/dbraw/zinc/09/34/87/454093487.db2.gz BAPIZGXFCBXZIR-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000071415411 454206602 /nfs/dbraw/zinc/20/66/02/454206602.db2.gz DEVRCUAAIZWCHX-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000058518957 454211507 /nfs/dbraw/zinc/21/15/07/454211507.db2.gz YNYPTYJALYTJLA-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000314116190 456600731 /nfs/dbraw/zinc/60/07/31/456600731.db2.gz ASGCFXIKNBAVOS-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1 ZINC000324781155 456673308 /nfs/dbraw/zinc/67/33/08/456673308.db2.gz GRNKTFLODONPSO-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(C(=O)[O-])c1C ZINC000348445858 456690302 /nfs/dbraw/zinc/69/03/02/456690302.db2.gz RNFFEMYHMLBFKN-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000341322713 456846969 /nfs/dbraw/zinc/84/69/69/456846969.db2.gz KPXHYTJAJJQQRB-GFCCVEGCSA-N -2 3 349.408 3.201 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000391976613 457456069 /nfs/dbraw/zinc/45/60/69/457456069.db2.gz KBLCVLCVQUMWBM-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2[n-]nc3c2cccc3OC)c1 ZINC000436656976 458354381 /nfs/dbraw/zinc/35/43/81/458354381.db2.gz KJEIWBAKVJSCPI-UHFFFAOYSA-N -2 3 339.351 3.122 20 0 EGADHL COc1cc(C)cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1[O-] ZINC000436899066 458401989 /nfs/dbraw/zinc/40/19/89/458401989.db2.gz CXNKCIGSWLWONW-UHFFFAOYSA-N -2 3 325.723 3.460 20 0 EGADHL Cn1cc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)c2ccccc21 ZINC000163421304 546972430 /nfs/dbraw/zinc/97/24/30/546972430.db2.gz FVFIMVMCGVJZLG-ZHACJKMWSA-N -2 3 343.390 3.278 20 0 EGADHL O=C([O-])c1cnc(C=Cc2cnc(-c3ccccc3)s2)[n-]c1=O ZINC000670369910 548202414 /nfs/dbraw/zinc/20/24/14/548202414.db2.gz JRVWRZCRFSNBMW-VOTSOKGWSA-N -2 3 325.349 3.174 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1C(=O)[O-] ZINC000671660871 548327617 /nfs/dbraw/zinc/32/76/17/548327617.db2.gz NLVQTTVIVGUYFR-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2csc3ccccc23)s1 ZINC000739710761 576499838 /nfs/dbraw/zinc/49/98/38/576499838.db2.gz GROZPOGMFLPWMW-UHFFFAOYSA-N -2 3 347.421 3.412 20 0 EGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000740075753 576543401 /nfs/dbraw/zinc/54/34/01/576543401.db2.gz ODUBFSFMBGUTPD-UHFFFAOYSA-N -2 3 346.191 3.492 20 0 EGADHL CC(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000827117827 600780319 /nfs/dbraw/zinc/78/03/19/600780319.db2.gz KIYPZFWZRMTMNR-MRXNPFEDSA-N -2 3 327.380 3.114 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1F ZINC000063876998 601829701 /nfs/dbraw/zinc/82/97/01/601829701.db2.gz CUACYMPYEQGJOC-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)ccc1F ZINC000133951424 1293758262 /nfs/dbraw/zinc/75/82/62/1293758262.db2.gz HZOMTIQTRCMBNE-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000324105397 1297205450 /nfs/dbraw/zinc/20/54/50/1297205450.db2.gz DZQJSZVRLHRUIY-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000759091497 1301012963 /nfs/dbraw/zinc/01/29/63/1301012963.db2.gz OGQWAFINGBYVFB-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(C2CCC2)c1 ZINC001185880058 1387823943 /nfs/dbraw/zinc/82/39/43/1387823943.db2.gz ZJIXLXBRTVBVJR-UHFFFAOYSA-N -2 3 346.408 3.157 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cn2)c(Cl)c1[O-] ZINC001196245311 1368575347 /nfs/dbraw/zinc/57/53/47/1368575347.db2.gz PHSIMYZLZGKJEM-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL C=CS(=O)(=O)[N-]c1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001198620928 1369075777 /nfs/dbraw/zinc/07/57/77/1369075777.db2.gz QFCHXTRKVVAAAX-UHFFFAOYSA-N -2 3 347.392 3.059 20 0 EGADHL Cc1cc(F)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC001198782323 1369113725 /nfs/dbraw/zinc/11/37/25/1369113725.db2.gz GNEQBGNIJBVTGZ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1c([O-])cccc1F ZINC001189100503 1388458051 /nfs/dbraw/zinc/45/80/51/1388458051.db2.gz FOLYTQYIEZTYRB-UHFFFAOYSA-N -2 3 329.780 3.169 20 0 EGADHL CC(C)(C)c1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001157166225 1380793087 /nfs/dbraw/zinc/79/30/87/1380793087.db2.gz WNQMRDCWEXNDKL-UHFFFAOYSA-N -2 3 346.367 3.464 20 0 EGADHL CC[C@@H](C)[C@@H](C(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820859930 1429662732 /nfs/dbraw/zinc/66/27/32/1429662732.db2.gz HECYPSVCJXENJG-ZWNOBZJWSA-N -2 3 342.428 3.092 20 0 EGADHL CCCCOc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c([O-])c1 ZINC001589653895 949796789 /nfs/dbraw/zinc/79/67/89/949796789.db2.gz AGBMTCIRNWYWER-CQSZACIVSA-N -2 3 349.427 3.288 20 0 EGADHL Cc1ccc([O-])c(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC000902820363 956808350 /nfs/dbraw/zinc/80/83/50/956808350.db2.gz BROZBXVRFMCRER-AWEZNQCLSA-N -2 3 339.391 3.385 20 0 EGADHL CC(C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC1 ZINC000398062166 973061835 /nfs/dbraw/zinc/06/18/35/973061835.db2.gz BZUZVEKTBCHISI-UHFFFAOYSA-N -2 3 349.811 3.034 20 0 EGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001594853059 982107249 /nfs/dbraw/zinc/10/72/49/982107249.db2.gz FTAUKNVKVYEWDE-AWEZNQCLSA-N -2 3 349.811 3.034 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c1 ZINC001597556185 988286282 /nfs/dbraw/zinc/28/62/82/988286282.db2.gz JNLDSWIWWNEJBQ-IJEWVQPXSA-N -2 3 331.412 3.060 20 0 EGADHL COc1cc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)ccc1C(=O)[O-] ZINC001599346671 998017785 /nfs/dbraw/zinc/01/77/85/998017785.db2.gz HURWMYALVMJPIN-UHFFFAOYSA-N -2 3 330.727 3.363 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(F)c1 ZINC000317745356 154159990 /nfs/dbraw/zinc/15/99/90/154159990.db2.gz NRSINNNVLHASML-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)c1 ZINC000320628689 154165214 /nfs/dbraw/zinc/16/52/14/154165214.db2.gz BECDKFNWPHIFMY-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL C[C@H](Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC000414074032 309059216 /nfs/dbraw/zinc/05/92/16/309059216.db2.gz MMZAFNYTFGQISZ-JNWMYZIBSA-N -2 3 326.352 3.082 20 0 EGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000421156254 309315405 /nfs/dbraw/zinc/31/54/05/309315405.db2.gz OXTQKXPOWZNFST-GFCCVEGCSA-N -2 3 335.853 3.157 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000314399154 456602168 /nfs/dbraw/zinc/60/21/68/456602168.db2.gz DOYCBJLSSUNDHG-UHFFFAOYSA-N -2 3 346.191 3.492 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000048382903 454484666 /nfs/dbraw/zinc/48/46/66/454484666.db2.gz MRLMYCLQVUTKML-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)c1 ZINC000156242592 455097157 /nfs/dbraw/zinc/09/71/57/455097157.db2.gz CKZRXJFITJRWMU-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000156247872 455097169 /nfs/dbraw/zinc/09/71/69/455097169.db2.gz HXEIIVPWBJHJKR-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C ZINC000324925621 456675146 /nfs/dbraw/zinc/67/51/46/456675146.db2.gz SSMGVLGDUJMIAP-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc(C)c1F ZINC000460825699 458535234 /nfs/dbraw/zinc/53/52/34/458535234.db2.gz ZCHWLDLBBFBQEN-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccs1 ZINC000567730641 459156290 /nfs/dbraw/zinc/15/62/90/459156290.db2.gz LGBGZSYFVYOGRX-JTQLQIEISA-N -2 3 343.426 3.105 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000501806740 459745159 /nfs/dbraw/zinc/74/51/59/459745159.db2.gz ZJWVCYSPZPHGFN-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2c([O-])cccc2Cl)no1 ZINC000647919873 461887033 /nfs/dbraw/zinc/88/70/33/461887033.db2.gz YWCBPLRXRPZBFY-UHFFFAOYSA-N -2 3 344.820 3.273 20 0 EGADHL CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000183458798 526893749 /nfs/dbraw/zinc/89/37/49/526893749.db2.gz NEKOEUQNAPSPMV-UHFFFAOYSA-N -2 3 331.319 3.211 20 0 EGADHL COc1ccc(NC(=O)c2ccc(Br)cc2[O-])c([O-])c1 ZINC000443556523 547920962 /nfs/dbraw/zinc/92/09/62/547920962.db2.gz GYWOXEVRXZICQP-UHFFFAOYSA-N -2 3 338.157 3.121 20 0 EGADHL Cc1ccc2oc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)cc2c1 ZINC000738681659 576350505 /nfs/dbraw/zinc/35/05/05/576350505.db2.gz YNQVHJQSSQPUOS-UHFFFAOYSA-N -2 3 345.380 3.252 20 0 EGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc(Cl)ccc2Cl)s1 ZINC000739777880 576505232 /nfs/dbraw/zinc/50/52/32/576505232.db2.gz SBYQMZARKINMQI-UHFFFAOYSA-N -2 3 346.195 3.114 20 0 EGADHL O=C([O-])c1cc(F)ccc1CO[N-]C(=O)c1c(F)cccc1Cl ZINC000740078877 576544128 /nfs/dbraw/zinc/54/41/28/576544128.db2.gz VEDUPZBBYSRQFK-UHFFFAOYSA-N -2 3 341.697 3.178 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1F ZINC000833351008 601096588 /nfs/dbraw/zinc/09/65/88/601096588.db2.gz HZOZYINKMIXDQT-JTQLQIEISA-N -2 3 332.114 3.443 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1F ZINC000038431377 601318822 /nfs/dbraw/zinc/31/88/22/601318822.db2.gz URKSAGUZQQJARJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000833663501 605185626 /nfs/dbraw/zinc/18/56/26/605185626.db2.gz VKHUIKZLQRJEHK-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1sc([N-]S(=O)(=O)CCc2ccccc2)c(C(=O)[O-])c1C ZINC000833758428 605303149 /nfs/dbraw/zinc/30/31/49/605303149.db2.gz XHWSYOLPPKJDGD-UHFFFAOYSA-N -2 3 339.438 3.048 20 0 EGADHL CCC(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761234533 1301425975 /nfs/dbraw/zinc/42/59/75/1301425975.db2.gz MGDAEHITSDPLGP-UHFFFAOYSA-N -2 3 340.228 3.159 20 0 EGADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1[S-])c1ccncc1 ZINC001190888739 1367376424 /nfs/dbraw/zinc/37/64/24/1367376424.db2.gz ZXHHXVXNRICQHY-UHFFFAOYSA-N -2 3 334.344 3.190 20 0 EGADHL COc1ccc2cc(S(=O)(=O)[N-]c3ccc(F)c([O-])c3)ccc2c1 ZINC001191966136 1367652025 /nfs/dbraw/zinc/65/20/25/1367652025.db2.gz HZBACAZJNDUGNA-UHFFFAOYSA-N -2 3 347.367 3.494 20 0 EGADHL Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193800 1387894055 /nfs/dbraw/zinc/89/40/55/1387894055.db2.gz WULADOPYBQKDJI-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)n1 ZINC001197717954 1368880797 /nfs/dbraw/zinc/88/07/97/1368880797.db2.gz UDTCAKFVIUSGIO-UHFFFAOYSA-N -2 3 347.223 3.344 20 0 EGADHL Cc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594048 1375450046 /nfs/dbraw/zinc/45/00/46/1375450046.db2.gz KMVJFUJQKKHAGU-QMMMGPOBSA-N -2 3 349.188 3.269 20 0 EGADHL O=C([O-])c1c(F)cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1F ZINC000326927126 971346524 /nfs/dbraw/zinc/34/65/24/971346524.db2.gz RTJGKGVTHSDQPM-UHFFFAOYSA-N -2 3 344.273 3.169 20 0 EGADHL Cc1cccc([C@@H](NC(=O)c2cc3sccc3c([O-])c2)C(=O)[O-])c1 ZINC001594392197 958741303 /nfs/dbraw/zinc/74/13/03/958741303.db2.gz FRFUXNQFEFQBIL-MRXNPFEDSA-N -2 3 341.388 3.471 20 0 EGADHL CC(C)N(CC(=O)[O-])C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001588916037 962343965 /nfs/dbraw/zinc/34/39/65/962343965.db2.gz QGKUGZYOUMFCAK-UHFFFAOYSA-N -2 3 341.407 3.113 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001588962353 962623566 /nfs/dbraw/zinc/62/35/66/962623566.db2.gz ABBZNWJBQADQPE-MRXNPFEDSA-N -2 3 331.343 3.210 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000396467498 972896475 /nfs/dbraw/zinc/89/64/75/972896475.db2.gz WRLYJTLOMGSIKZ-ZDUSSCGKSA-N -2 3 333.409 3.292 20 0 EGADHL CC(C)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(C(=O)[O-])c1 ZINC001591968585 976567160 /nfs/dbraw/zinc/56/71/60/976567160.db2.gz QTWRTAQXFSQEDT-UHFFFAOYSA-N -2 3 342.330 3.171 20 0 EGADHL C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592478521 978252113 /nfs/dbraw/zinc/25/21/13/978252113.db2.gz WLVZBGSNPLRXSU-NSHDSACASA-N -2 3 329.418 3.005 20 0 EGADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909474288 981504268 /nfs/dbraw/zinc/50/42/68/981504268.db2.gz AYRBZGLJUOXUOK-SNVBAGLBSA-N -2 3 345.317 3.128 20 0 EGADHL CCCCOc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC001595776533 982543202 /nfs/dbraw/zinc/54/32/02/982543202.db2.gz DDEJBGBZWTZBRP-CYBMUJFWSA-N -2 3 337.416 3.048 20 0 EGADHL CC(=O)c1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1[O-] ZINC001589277437 985995343 /nfs/dbraw/zinc/99/53/43/985995343.db2.gz RGTVFUPIPITRGI-LLVKDONJSA-N -2 3 341.363 3.110 20 0 EGADHL CC(C)(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001589729071 987939812 /nfs/dbraw/zinc/93/98/12/987939812.db2.gz RXKVWKBVTUPIOQ-NEPJUHHUSA-N -2 3 343.445 3.251 20 0 EGADHL CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c([O-])c1 ZINC001597500378 988054519 /nfs/dbraw/zinc/05/45/19/988054519.db2.gz LIKHKUWAIGEERG-MRXNPFEDSA-N -2 3 327.380 3.209 20 0 EGADHL CCc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c([O-])c1 ZINC001597502845 988068748 /nfs/dbraw/zinc/06/87/48/988068748.db2.gz IALLOEMNXLNQLU-UHFFFAOYSA-N -2 3 335.743 3.264 20 0 EGADHL CC(C)(C)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000080925720 217340825 /nfs/dbraw/zinc/34/08/25/217340825.db2.gz GHPAJUVASUSROK-ZDUSSCGKSA-N -2 3 327.446 3.001 20 0 EGADHL CCCCc1n[n-]c(=NC(=O)c2cc(-c3cccs3)[n-]n2)s1 ZINC000344149388 164114789 /nfs/dbraw/zinc/11/47/89/164114789.db2.gz QGDXHHGKRRDIRA-UHFFFAOYSA-N -2 3 333.442 3.007 20 0 EGADHL CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000193922603 266075427 /nfs/dbraw/zinc/07/54/27/266075427.db2.gz SHVJMYDGTNWWOL-UHFFFAOYSA-N -2 3 331.319 3.112 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000326365316 308770712 /nfs/dbraw/zinc/77/07/12/308770712.db2.gz DFCUJQMGTKLPEP-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000390264713 308900698 /nfs/dbraw/zinc/90/06/98/308900698.db2.gz IUEJFWMRJNJQDP-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cc(Br)c([O-])c(NC(=O)c2c([O-])cccc2O)c1 ZINC000436904291 309780327 /nfs/dbraw/zinc/78/03/27/309780327.db2.gz YLNNFMFNTRRYKA-UHFFFAOYSA-N -2 3 338.157 3.127 20 0 EGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000057123711 454103709 /nfs/dbraw/zinc/10/37/09/454103709.db2.gz PIDAFMNMTRIEBY-GFCCVEGCSA-N -2 3 349.408 3.363 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000045945480 454199378 /nfs/dbraw/zinc/19/93/78/454199378.db2.gz TTXMMISUXCECEP-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1F ZINC000090164054 454287511 /nfs/dbraw/zinc/28/75/11/454287511.db2.gz QLBCLRUGUVQXGC-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(C)c1C ZINC000096744457 454380694 /nfs/dbraw/zinc/38/06/94/454380694.db2.gz WJXQCVFYEIVRLO-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1F ZINC000156260174 455098820 /nfs/dbraw/zinc/09/88/20/455098820.db2.gz TZSYDJOKPNINMY-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1Cl ZINC000318930809 456619827 /nfs/dbraw/zinc/61/98/27/456619827.db2.gz FMJGTUNADYJFGW-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000341324017 456848184 /nfs/dbraw/zinc/84/81/84/456848184.db2.gz MOAQDXYIIXNJPM-UHFFFAOYSA-N -2 3 349.408 3.031 20 0 EGADHL Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c([O-])c1 ZINC000436783290 458379796 /nfs/dbraw/zinc/37/97/96/458379796.db2.gz QUIGQLRPNWLRTB-UHFFFAOYSA-N -2 3 335.743 3.070 20 0 EGADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000547612752 458761142 /nfs/dbraw/zinc/76/11/42/458761142.db2.gz KULSLWHEZWRYKN-SNVBAGLBSA-N -2 3 341.816 3.025 20 0 EGADHL COc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c([O-])c1 ZINC000443563003 547920237 /nfs/dbraw/zinc/92/02/37/547920237.db2.gz XJZYBLVVNQHBQC-UHFFFAOYSA-N -2 3 327.258 3.378 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(F)cc1 ZINC000740290982 576574631 /nfs/dbraw/zinc/57/46/31/576574631.db2.gz KSLUAWVOJBNJEP-SNVBAGLBSA-N -2 3 332.114 3.443 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cncc([O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000833352077 602086603 /nfs/dbraw/zinc/08/66/03/602086603.db2.gz YICYDNASAPJTDB-LBPRGKRZSA-N -2 3 342.134 3.077 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cncc([O-])c1)c1cc(Cl)cc(Cl)c1 ZINC000833352076 602086921 /nfs/dbraw/zinc/08/69/21/602086921.db2.gz YICYDNASAPJTDB-GFCCVEGCSA-N -2 3 342.134 3.077 20 0 EGADHL Cc1cc(C)c(C=CC=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)c1 ZINC000865225255 1329677662 /nfs/dbraw/zinc/67/76/62/1329677662.db2.gz ZLVBHDKSXFHFDA-YMBWGVAGSA-N -2 3 338.407 3.357 20 0 EGADHL O=C([O-])c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c(F)c1F ZINC001212511822 1372717096 /nfs/dbraw/zinc/71/70/96/1372717096.db2.gz HHCAXGSIRYIJIW-UHFFFAOYSA-N -2 3 331.278 3.298 20 0 EGADHL COc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc(C(=O)[O-])c1 ZINC001213586699 1372929778 /nfs/dbraw/zinc/92/97/78/1372929778.db2.gz IUIBJJSNADSGRF-UHFFFAOYSA-N -2 3 325.324 3.028 20 0 EGADHL CCOC(=O)c1cnoc1[N-]c1ccc(Cl)c(C(=O)[O-])c1F ZINC001215694938 1373233000 /nfs/dbraw/zinc/23/30/00/1373233000.db2.gz SBPDOIJRTYIQCR-UHFFFAOYSA-N -2 3 328.683 3.086 20 0 EGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ncc(C(F)(F)F)cc1F ZINC001225019223 1375089648 /nfs/dbraw/zinc/08/96/48/1375089648.db2.gz UWMFTJFNDOWKAZ-QMMMGPOBSA-N -2 3 345.229 3.275 20 0 EGADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148806338 1379272206 /nfs/dbraw/zinc/27/22/06/1379272206.db2.gz QYLOKMRQPVTONW-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148806338 1379272208 /nfs/dbraw/zinc/27/22/08/1379272208.db2.gz QYLOKMRQPVTONW-UHFFFAOYSA-N -2 3 341.076 3.088 20 0 EGADHL CC[C@H](C)[C@@H](C(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820859927 1443853501 /nfs/dbraw/zinc/85/35/01/1443853501.db2.gz HECYPSVCJXENJG-GXFFZTMASA-N -2 3 342.428 3.092 20 0 EGADHL CCCCOc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c([O-])c1 ZINC001589654184 949802724 /nfs/dbraw/zinc/80/27/24/949802724.db2.gz KFGYMQGYKKACTJ-UHFFFAOYSA-N -2 3 349.427 3.288 20 0 EGADHL O=C([O-])Cc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC001595132737 952045313 /nfs/dbraw/zinc/04/53/13/952045313.db2.gz HGSHSXPMDVSDRG-UHFFFAOYSA-N -2 3 325.364 3.150 20 0 EGADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC001594727807 957022190 /nfs/dbraw/zinc/02/21/90/957022190.db2.gz VNIJHEPVLWGXCD-DOMZBBRYSA-N -2 3 331.755 3.089 20 0 EGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000226482408 959888574 /nfs/dbraw/zinc/88/85/74/959888574.db2.gz RQZQYIPERBANIH-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])c1 ZINC000320309983 970646833 /nfs/dbraw/zinc/64/68/33/970646833.db2.gz LMBOZRWGMJHQAC-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593155657 993968701 /nfs/dbraw/zinc/96/87/01/993968701.db2.gz MVMGJSVWBRFXJF-SMDDNHRTSA-N -2 3 347.798 3.107 20 0 EGADHL CCSc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000349103159 156353423 /nfs/dbraw/zinc/35/34/23/156353423.db2.gz BVBGJTSVFDTCPB-FPLPWBNLSA-N -2 3 330.409 3.400 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3ncsc3C(F)(F)F)n[n-]2)o1 ZINC000338819095 163356278 /nfs/dbraw/zinc/35/62/78/163356278.db2.gz HIMRYLTYXLGVRE-UHFFFAOYSA-N -2 3 343.290 3.101 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000391655953 308901603 /nfs/dbraw/zinc/90/16/03/308901603.db2.gz HZKYKUWTSJMQBG-UHFFFAOYSA-N -2 3 347.436 3.412 20 0 EGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000421156255 309315497 /nfs/dbraw/zinc/31/54/97/309315497.db2.gz OXTQKXPOWZNFST-LBPRGKRZSA-N -2 3 335.853 3.157 20 0 EGADHL O=C(CCCc1ccc([O-])c(F)c1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000471242143 310735592 /nfs/dbraw/zinc/73/55/92/310735592.db2.gz UDOXSPZKZCVSDD-UHFFFAOYSA-N -2 3 345.399 3.366 20 0 EGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000013315662 323212465 /nfs/dbraw/zinc/21/24/65/323212465.db2.gz OLRPABAJDRIDLU-DMDPSCGWSA-N -2 3 343.470 3.084 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000013059773 453443003 /nfs/dbraw/zinc/44/30/03/453443003.db2.gz DNXTYUHKIFAXHM-UHFFFAOYSA-N -2 3 331.393 3.064 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013348358 453461108 /nfs/dbraw/zinc/46/11/08/453461108.db2.gz UBUUYSGOHRNZMI-RUDMXATFSA-N -2 3 335.356 3.033 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000042986832 454035351 /nfs/dbraw/zinc/03/53/51/454035351.db2.gz QXHPFTNCGAAAHX-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000124724273 454764280 /nfs/dbraw/zinc/76/42/80/454764280.db2.gz KEOXAMJTYBMMSH-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000182189921 455456623 /nfs/dbraw/zinc/45/66/23/455456623.db2.gz KKPZLNWYELPHEP-NSCUHMNNSA-N -2 3 349.184 3.216 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000222004429 456044787 /nfs/dbraw/zinc/04/47/87/456044787.db2.gz CTQVWIYGEQLZBD-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ncccc3[O-])n2)cc1 ZINC000303839698 456491226 /nfs/dbraw/zinc/49/12/26/456491226.db2.gz ITOFIWDLAIAUHL-UHFFFAOYSA-N -2 3 338.367 3.054 20 0 EGADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315402037 456605613 /nfs/dbraw/zinc/60/56/13/456605613.db2.gz GLXRRBGNETUKJC-VXGBXAGGSA-N -2 3 345.486 3.330 20 0 EGADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315402027 456606881 /nfs/dbraw/zinc/60/68/81/456606881.db2.gz GLXRRBGNETUKJC-NEPJUHHUSA-N -2 3 345.486 3.330 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4cc(=O)[nH][n-]4)cc3)n[n-]2)o1 ZINC000355552963 457388131 /nfs/dbraw/zinc/38/81/31/457388131.db2.gz VISCCGDRSKSWMX-UHFFFAOYSA-N -2 3 349.350 3.326 20 0 EGADHL Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)c2ccc([O-])c(C)c2)s1 ZINC000436986374 458418242 /nfs/dbraw/zinc/41/82/42/458418242.db2.gz FVCZUEWEYQBLGM-UHFFFAOYSA-N -2 3 343.383 3.341 20 0 EGADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000622739196 460302173 /nfs/dbraw/zinc/30/21/73/460302173.db2.gz YKERBALFMFZIIG-UHFFFAOYSA-N -2 3 337.379 3.015 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C)ccc1[O-])C1CCCCC1 ZINC000656624480 461809513 /nfs/dbraw/zinc/80/95/13/461809513.db2.gz PSZYCTMXMQXNLM-MRXNPFEDSA-N -2 3 327.446 3.038 20 0 EGADHL O=C(C=CSCc1ccco1)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163506180 546973837 /nfs/dbraw/zinc/97/38/37/546973837.db2.gz PWLHIAXMNMDJBA-VQHVLOKHSA-N -2 3 326.381 3.113 20 0 EGADHL CCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000670369774 548201890 /nfs/dbraw/zinc/20/18/90/548201890.db2.gz ARFAMHAJPOMGKF-SOFGYWHQSA-N -2 3 344.367 3.238 20 0 EGADHL CCCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670370055 548202487 /nfs/dbraw/zinc/20/24/87/548202487.db2.gz TXKJCTGVLRIMJA-SOFGYWHQSA-N -2 3 344.367 3.238 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737268120 576195510 /nfs/dbraw/zinc/19/55/10/576195510.db2.gz RWKYPKJOCIYSJZ-UHFFFAOYSA-N -2 3 348.424 3.160 20 0 EGADHL Cc1c2cccc(F)c2oc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738276555 576309334 /nfs/dbraw/zinc/30/93/34/576309334.db2.gz YVAHKCAAHMZMSM-UHFFFAOYSA-N -2 3 349.343 3.001 20 0 EGADHL Cc1cc(Cl)cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1[O-] ZINC000738399620 576321554 /nfs/dbraw/zinc/32/15/54/576321554.db2.gz QTGYURYIRDBLCK-UHFFFAOYSA-N -2 3 335.743 3.070 20 0 EGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000231810677 599801237 /nfs/dbraw/zinc/80/12/37/599801237.db2.gz QWDLPWTUAXNOLF-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000322551088 599852755 /nfs/dbraw/zinc/85/27/55/599852755.db2.gz BFPARUIQSBJIHJ-UHFFFAOYSA-N -2 3 333.409 3.121 20 0 EGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000324503269 601287464 /nfs/dbraw/zinc/28/74/64/601287464.db2.gz LHSHYYVDTJRYGB-UHFFFAOYSA-N -2 3 349.774 3.218 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000013345402 601317248 /nfs/dbraw/zinc/31/72/48/601317248.db2.gz VGGSJTRBNJAXKJ-UXBLZVDNSA-N -2 3 331.393 3.202 20 0 EGADHL Cc1sc(C(=O)[O-])cc1CO[N-]C(=O)CCCc1ccccc1 ZINC000833031192 601635572 /nfs/dbraw/zinc/63/55/72/601635572.db2.gz GCSRWGFSPRKLDV-UHFFFAOYSA-N -2 3 333.409 3.325 20 0 EGADHL COc1cc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)ccc1[O-] ZINC000047202747 1291566589 /nfs/dbraw/zinc/56/65/89/1291566589.db2.gz RAFUAQWLQQBZFU-XBXARRHUSA-N -2 3 342.347 3.150 20 0 EGADHL CCC[C@]1(C(=O)[O-])CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000910118939 1318572049 /nfs/dbraw/zinc/57/20/49/1318572049.db2.gz SULFIXKPTAFSSW-GOSISDBHSA-N -2 3 337.391 3.100 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(C)c1F ZINC001186187906 1387893187 /nfs/dbraw/zinc/89/31/87/1387893187.db2.gz BVAASHYOWWJNKD-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1cccs1 ZINC001227594259 1375449621 /nfs/dbraw/zinc/44/96/21/1375449621.db2.gz LRIRIBRKVPFEFG-YFKPBYRVSA-N -2 3 341.190 3.023 20 0 EGADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1[O-] ZINC001317756161 1385446466 /nfs/dbraw/zinc/44/64/66/1385446466.db2.gz HWTWSNZRJORZOG-UHFFFAOYSA-N -2 3 343.408 3.155 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(Cl)c1 ZINC000072636488 957734902 /nfs/dbraw/zinc/73/49/02/957734902.db2.gz GKDSKTAKVJLBGG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cccc([C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)[O-])c1 ZINC001594391336 958725419 /nfs/dbraw/zinc/72/54/19/958725419.db2.gz CHHSISSPRJUHRJ-GOSISDBHSA-N -2 3 345.370 3.105 20 0 EGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793349277 978802905 /nfs/dbraw/zinc/80/29/05/978802905.db2.gz NEHOWRGZVRACFG-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1sc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])nc1C(=O)[O-] ZINC000910728380 982092589 /nfs/dbraw/zinc/09/25/89/982092589.db2.gz CZHCPATXSKGYNB-LBPRGKRZSA-N -2 3 346.408 3.141 20 0 EGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC001595688214 982182667 /nfs/dbraw/zinc/18/26/67/982182667.db2.gz YRAUZJQTXZDRJL-SECBINFHSA-N -2 3 339.866 3.022 20 0 EGADHL C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC001594503484 985698449 /nfs/dbraw/zinc/69/84/49/985698449.db2.gz ZDIZRHVCGWXHPV-KKFJDGPESA-N -2 3 346.210 3.162 20 0 EGADHL CC(C)(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001589729072 987939597 /nfs/dbraw/zinc/93/95/97/987939597.db2.gz RXKVWKBVTUPIOQ-NWDGAFQWSA-N -2 3 343.445 3.251 20 0 EGADHL CC(C)(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001589729074 987939945 /nfs/dbraw/zinc/93/99/45/987939945.db2.gz RXKVWKBVTUPIOQ-VXGBXAGGSA-N -2 3 343.445 3.251 20 0 EGADHL CCc1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c([O-])c1 ZINC001597502421 988067052 /nfs/dbraw/zinc/06/70/52/988067052.db2.gz ANAGCAZFXPYRHJ-SNVBAGLBSA-N -2 3 347.342 3.198 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c1 ZINC001597556194 988285630 /nfs/dbraw/zinc/28/56/30/988285630.db2.gz JNLDSWIWWNEJBQ-YCPHGPKFSA-N -2 3 331.412 3.060 20 0 EGADHL CSc1ccc([O-])c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001599820416 988504552 /nfs/dbraw/zinc/50/45/52/988504552.db2.gz YYTKLFRKTPHCHM-HNNXBMFYSA-N -2 3 331.393 3.012 20 0 EGADHL O=C([O-])CN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccccc1 ZINC000263476656 304065726 /nfs/dbraw/zinc/06/57/26/304065726.db2.gz ZIWQARWFHYAEDH-UHFFFAOYSA-N -2 3 325.364 3.002 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000012541648 207174149 /nfs/dbraw/zinc/17/41/49/207174149.db2.gz GGXRCNGOVHCZIN-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=S(=O)([N-]c1cc(Br)ccc1[O-])C1=CCCCC1 ZINC000281230609 275532234 /nfs/dbraw/zinc/53/22/34/275532234.db2.gz SCLGHFCXVIOIED-UHFFFAOYSA-N -2 3 332.219 3.354 20 0 EGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000072077950 307379126 /nfs/dbraw/zinc/37/91/26/307379126.db2.gz VOBSIICNPIQVIH-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL C[C@H](Oc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1)C(=O)[O-] ZINC000414078027 309059529 /nfs/dbraw/zinc/05/95/29/309059529.db2.gz QQSZFZHVIHIBQL-BWNDKRECSA-N -2 3 326.352 3.082 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000320681094 308767376 /nfs/dbraw/zinc/76/73/76/308767376.db2.gz LFVSVUDHEWPQFU-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1cc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)ccc1[O-] ZINC000443057697 309894252 /nfs/dbraw/zinc/89/42/52/309894252.db2.gz KQKOSMOHNZAZIB-UHFFFAOYSA-N -2 3 349.799 3.180 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000058518886 454211375 /nfs/dbraw/zinc/21/13/75/454211375.db2.gz NTCLOUWNGLBZMA-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL O=C(/C=C/c1cncc([O-])c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000182173566 455452429 /nfs/dbraw/zinc/45/24/29/455452429.db2.gz DWVWHRPWRWSPPD-OWOJBTEDSA-N -2 3 325.151 3.452 20 0 EGADHL CC(C)(C)CN(CC(=O)[O-])Cc1cccc([O-])c1Br ZINC000665350744 462411971 /nfs/dbraw/zinc/41/19/71/462411971.db2.gz BLEHDXIJXHWJQJ-UHFFFAOYSA-N -2 3 330.222 3.087 20 0 EGADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000323211793 456652504 /nfs/dbraw/zinc/65/25/04/456652504.db2.gz NRKHBXRBVJYIHF-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1C(=O)[O-] ZINC000325422405 456684059 /nfs/dbraw/zinc/68/40/59/456684059.db2.gz XGSZDPICXWNWGZ-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000341322714 456846767 /nfs/dbraw/zinc/84/67/67/456846767.db2.gz KPXHYTJAJJQQRB-LBPRGKRZSA-N -2 3 349.408 3.201 20 0 EGADHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc(Cl)cc1[O-] ZINC000436780180 458380025 /nfs/dbraw/zinc/38/00/25/458380025.db2.gz ZUQMUOWNYDUSCS-UHFFFAOYSA-N -2 3 332.722 3.222 20 0 EGADHL Cc1ccc(-c2nnc(NC(=O)c3cc(F)cc(Cl)c3[O-])[n-]2)o1 ZINC000436790587 458380827 /nfs/dbraw/zinc/38/08/27/458380827.db2.gz HEIXFIVNOPXKRB-UHFFFAOYSA-N -2 3 336.710 3.124 20 0 EGADHL Cc1ccc(-c2n[n-]c(NC(=O)c3cc(F)cc(Cl)c3[O-])n2)o1 ZINC000436790587 458380829 /nfs/dbraw/zinc/38/08/29/458380829.db2.gz HEIXFIVNOPXKRB-UHFFFAOYSA-N -2 3 336.710 3.124 20 0 EGADHL Cc1ccc(-c2nc(NC(=O)c3cc(F)cc(Cl)c3[O-])n[n-]2)o1 ZINC000436790587 458380830 /nfs/dbraw/zinc/38/08/30/458380830.db2.gz HEIXFIVNOPXKRB-UHFFFAOYSA-N -2 3 336.710 3.124 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(O)c(C(=O)[O-])c2)CC)n1 ZINC000436826519 458388407 /nfs/dbraw/zinc/38/84/07/458388407.db2.gz AKFBLSBFBBLPQW-XYOKQWHBSA-N -2 3 328.368 3.077 20 0 EGADHL O=C(Nc1ncccc1[O-])c1cc2cc(Br)sc2[n-]1 ZINC000646590514 461341527 /nfs/dbraw/zinc/34/15/27/461341527.db2.gz MSPVKLRYNLBVEU-UHFFFAOYSA-N -2 3 338.186 3.345 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)oc1C(=O)[O-] ZINC000663428597 461637510 /nfs/dbraw/zinc/63/75/10/461637510.db2.gz SZTMOTQQRVUZDS-GFCCVEGCSA-N -2 3 341.429 3.068 20 0 EGADHL Cc1cccc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1[O-] ZINC000653556631 461720472 /nfs/dbraw/zinc/72/04/72/461720472.db2.gz YUJBCIOVFLENEW-UHFFFAOYSA-N -2 3 339.391 3.419 20 0 EGADHL C[C@](CC(=O)Nc1cc(Cl)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000013469749 546515980 /nfs/dbraw/zinc/51/59/80/546515980.db2.gz PEXMGWNSEJAHNJ-QGZVFWFLSA-N -2 3 333.771 3.417 20 0 EGADHL Cc1cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)sc1C(=O)[O-] ZINC000832898171 601320986 /nfs/dbraw/zinc/32/09/86/601320986.db2.gz DPXCKJRRSAXPAK-VOTSOKGWSA-N -2 3 341.385 3.306 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000013340169 601825210 /nfs/dbraw/zinc/82/52/10/601825210.db2.gz RNFUAUBTEDARTJ-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C)c1 ZINC000132953418 1293733807 /nfs/dbraw/zinc/73/38/07/1293733807.db2.gz UDBFILGYBYJAIG-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc([N+](=O)[O-])s1 ZINC000186063580 1295303308 /nfs/dbraw/zinc/30/33/08/1295303308.db2.gz MIEIKROLTLRAMN-UHFFFAOYSA-N -2 3 343.704 3.176 20 0 EGADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001185790516 1387799887 /nfs/dbraw/zinc/79/98/87/1387799887.db2.gz GQNXFTKATWJIDF-UHFFFAOYSA-N -2 3 338.385 3.250 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc2cc(Cl)ccc2c1 ZINC001196415149 1368611050 /nfs/dbraw/zinc/61/10/50/1368611050.db2.gz ZAZUFJQQOZVORL-UHFFFAOYSA-N -2 3 334.784 3.395 20 0 EGADHL CC(C)(C)c1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1 ZINC001198503515 1369047345 /nfs/dbraw/zinc/04/73/45/1369047345.db2.gz JDMOOILUJGCWTQ-UHFFFAOYSA-N -2 3 344.417 3.228 20 0 EGADHL CC[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227595409 1375449861 /nfs/dbraw/zinc/44/98/61/1375449861.db2.gz XWYXISKJJJXXHV-SECBINFHSA-N -2 3 349.188 3.351 20 0 EGADHL CC(C)(C)c1ccnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167938240 1383773230 /nfs/dbraw/zinc/77/32/30/1383773230.db2.gz HIQPUKRJMOIMQK-UHFFFAOYSA-N -2 3 346.367 3.464 20 0 EGADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1ccccc1 ZINC001595161013 952195548 /nfs/dbraw/zinc/19/55/48/952195548.db2.gz DYZFYKOCPWKXHC-ZDUSSCGKSA-N -2 3 339.725 3.374 20 0 EGADHL CC(C)Sc1ccccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591829161 976090735 /nfs/dbraw/zinc/09/07/35/976090735.db2.gz GFTSSJFURUDBRL-UHFFFAOYSA-N -2 3 331.459 3.040 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748641386 978687737 /nfs/dbraw/zinc/68/77/37/978687737.db2.gz WKPFOZASWIQXPI-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL CC[C@@](NC(=O)c1cc(SC)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595265050 980273681 /nfs/dbraw/zinc/27/36/81/980273681.db2.gz KJQSAELXQQVUQH-SFHVURJKSA-N -2 3 345.420 3.234 20 0 EGADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC001595687794 982181960 /nfs/dbraw/zinc/18/19/60/982181960.db2.gz URQBRLNYRBKVBJ-LBPRGKRZSA-N -2 3 331.434 3.251 20 0 EGADHL CC(C)(C)CC(=O)[N-]OCc1cc(Br)ccc1C(=O)[O-] ZINC001589740836 988011167 /nfs/dbraw/zinc/01/11/67/988011167.db2.gz LKIZYBGIRLMDBY-UHFFFAOYSA-N -2 3 344.205 3.131 20 0 EGADHL CCc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c([O-])c1 ZINC001597503614 988072337 /nfs/dbraw/zinc/07/23/37/988072337.db2.gz SXTWVYGGNRJWNN-JKSUJKDBSA-N -2 3 325.364 3.395 20 0 EGADHL Cc1ccc(-c2ocnc2C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)cc1 ZINC000173201123 144037300 /nfs/dbraw/zinc/03/73/00/144037300.db2.gz DBURMKQSMWORDC-UHFFFAOYSA-N -2 3 337.261 3.039 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000321882670 154168004 /nfs/dbraw/zinc/16/80/04/154168004.db2.gz JOUKMTRSNBRHCR-UHFFFAOYSA-N -2 3 333.409 3.040 20 0 EGADHL Cc1nc(C=Cc2ccc(CC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349103249 156353232 /nfs/dbraw/zinc/35/32/32/156353232.db2.gz CJNOBYUYWIPYJV-CMDGGOBGSA-N -2 3 326.396 3.487 20 0 EGADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000320626663 308767403 /nfs/dbraw/zinc/76/74/03/308767403.db2.gz AVGPHQCLFXWBCI-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000521669717 312555574 /nfs/dbraw/zinc/55/55/74/312555574.db2.gz KLRMLDYTSCIOBP-ONEGZZNKSA-N -2 3 347.392 3.227 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000530718167 313577163 /nfs/dbraw/zinc/57/71/63/313577163.db2.gz JWUMRGKNLDJVFC-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000530887924 313598103 /nfs/dbraw/zinc/59/81/03/313598103.db2.gz ZUZJSIOHVSFBSL-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000554430846 315317497 /nfs/dbraw/zinc/31/74/97/315317497.db2.gz OINBBRJBBAXDGB-UHFFFAOYSA-N -2 3 345.298 3.262 20 0 EGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2C)c1C ZINC000008106438 453161609 /nfs/dbraw/zinc/16/16/09/453161609.db2.gz UTYHAUOPIANTCP-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000013345965 453461599 /nfs/dbraw/zinc/46/15/99/453461599.db2.gz UCXSQELDWZQXSF-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000016148107 453597244 /nfs/dbraw/zinc/59/72/44/453597244.db2.gz HJYALNKGXGTNND-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCOc1cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc(Cl)c1[O-] ZINC000263336699 456128283 /nfs/dbraw/zinc/12/82/83/456128283.db2.gz MPKKYLRVZZYFQT-ZYHUDNBSSA-N -2 3 327.808 3.129 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000348451494 456691888 /nfs/dbraw/zinc/69/18/88/456691888.db2.gz RVEYCQSJFOVVOA-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C(=O)[O-])c1 ZINC000326603656 456696776 /nfs/dbraw/zinc/69/67/76/456696776.db2.gz MLWJMIJHZVIFSS-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1C(=O)[O-] ZINC000356722573 457134578 /nfs/dbraw/zinc/13/45/78/457134578.db2.gz NYRFEPAYSFSSPB-UHFFFAOYSA-N -2 3 342.376 3.042 20 0 EGADHL CCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000347387612 457395342 /nfs/dbraw/zinc/39/53/42/457395342.db2.gz WLCPDOADBKUKQJ-JXMROGBWSA-N -2 3 342.395 3.467 20 0 EGADHL C[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000390928044 457448876 /nfs/dbraw/zinc/44/88/76/457448876.db2.gz JTTCKFMVEZSTMS-NSHDSACASA-N -2 3 337.372 3.069 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cc1 ZINC000392684414 457459967 /nfs/dbraw/zinc/45/99/67/457459967.db2.gz QGOMXRQKKOLDCE-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427338274 457974536 /nfs/dbraw/zinc/97/45/36/457974536.db2.gz OWKYUMVQGDQCKA-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000447277552 458278594 /nfs/dbraw/zinc/27/85/94/458278594.db2.gz JBUWDJQRVWCOQS-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)c([O-])c1 ZINC000436605514 458343881 /nfs/dbraw/zinc/34/38/81/458343881.db2.gz PQTWNDUMWPDPLO-UHFFFAOYSA-N -2 3 336.185 3.099 20 0 EGADHL CC(C)(C)CCS(=O)(=O)[N-]c1ccc(Br)cc1[O-] ZINC000566041915 459796339 /nfs/dbraw/zinc/79/63/39/459796339.db2.gz GGZUPPSMJMUXGP-UHFFFAOYSA-N -2 3 336.251 3.333 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1O ZINC000680809800 549912683 /nfs/dbraw/zinc/91/26/83/549912683.db2.gz PMSGIUHRTSYTTP-UHFFFAOYSA-N -2 3 349.408 3.125 20 0 EGADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000736228070 575918982 /nfs/dbraw/zinc/91/89/82/575918982.db2.gz FSPGJBLFRJETQL-UHFFFAOYSA-N -2 3 339.351 3.284 20 0 EGADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000736228070 575918985 /nfs/dbraw/zinc/91/89/85/575918985.db2.gz FSPGJBLFRJETQL-UHFFFAOYSA-N -2 3 339.351 3.284 20 0 EGADHL CC1(C)Cc2ccc(C(=O)Nc3cccc(NC(=O)[O-])c3)c([O-])c2O1 ZINC000736737243 576016236 /nfs/dbraw/zinc/01/62/36/576016236.db2.gz KYWGZQWMYLIPBT-UHFFFAOYSA-N -2 3 342.351 3.448 20 0 EGADHL Cc1sc([N-]C(=O)c2cc(-c3ccccn3)no2)c(C(=O)[O-])c1C ZINC000738397326 576321376 /nfs/dbraw/zinc/32/13/76/576321376.db2.gz BDACIFVHNQLNTJ-UHFFFAOYSA-N -2 3 343.364 3.365 20 0 EGADHL O=C([O-])c1cn(CC(=O)Nc2cc(Cl)ccc2[O-])c2ccccc12 ZINC000739359702 576402535 /nfs/dbraw/zinc/40/25/35/576402535.db2.gz OBUQSQYWHOIWKB-UHFFFAOYSA-N -2 3 344.754 3.337 20 0 EGADHL O=C([O-])[C@@H](CNC(=O)c1ccccc1[O-])Cc1ccc2ccccc2c1 ZINC000739409070 576408451 /nfs/dbraw/zinc/40/84/51/576408451.db2.gz QOIPGEUUKKMSPC-QGZVFWFLSA-N -2 3 349.386 3.219 20 0 EGADHL O=C([O-])c1cn(Cc2nc(-c3ccc([O-])cc3)no2)c2ccccc12 ZINC000740253048 576570489 /nfs/dbraw/zinc/57/04/89/576570489.db2.gz HMHREALCDHGWAE-UHFFFAOYSA-N -2 3 335.319 3.143 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)n[n-]2)o1 ZINC000832905914 601111156 /nfs/dbraw/zinc/11/11/56/601111156.db2.gz KUBUHLMCKHHLLO-OAHLLOKOSA-N -2 3 344.298 3.100 20 0 EGADHL CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C(C)(C)C(=O)[O-] ZINC000833685505 604708125 /nfs/dbraw/zinc/70/81/25/604708125.db2.gz BIDMOJWARNPJSV-UHFFFAOYSA-N -2 3 329.352 3.120 20 0 EGADHL CC(C)C[C@@](C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000923190697 1322708820 /nfs/dbraw/zinc/70/88/20/1322708820.db2.gz ITSGNSXGCLVXTI-SFHVURJKSA-N -2 3 339.407 3.107 20 0 EGADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cc(F)cc(F)c1F ZINC001190390715 1367249419 /nfs/dbraw/zinc/24/94/19/1367249419.db2.gz GRCCAMHHDHILAF-UHFFFAOYSA-N -2 3 337.706 3.264 20 0 EGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c(F)cc1F ZINC001198782690 1369113629 /nfs/dbraw/zinc/11/36/29/1369113629.db2.gz OGMKEWGYVQRFQZ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(Cl)cc1Cl ZINC001202086292 1369685004 /nfs/dbraw/zinc/68/50/04/1369685004.db2.gz HWLZIVWCVFVPHC-UHFFFAOYSA-N -2 3 341.131 3.073 20 0 EGADHL COc1ccc(C(=O)[O-])cc1Nc1ncc(Br)cc1[O-] ZINC001210253200 1372305848 /nfs/dbraw/zinc/30/58/48/1372305848.db2.gz XGZZMUAMEBGTDF-UHFFFAOYSA-N -2 3 339.145 3.000 20 0 EGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cccc(Br)c1 ZINC001225018876 1375089440 /nfs/dbraw/zinc/08/94/40/1375089440.db2.gz KOLOJPWAKKIAQR-JTQLQIEISA-N -2 3 337.150 3.485 20 0 EGADHL CC(C)c1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001157157137 1380788866 /nfs/dbraw/zinc/78/88/66/1380788866.db2.gz JNKUKOFKXQLUAD-UHFFFAOYSA-N -2 3 332.340 3.290 20 0 EGADHL CC(C)Cc1ccc([C@H](C)C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001180904243 1386895070 /nfs/dbraw/zinc/89/50/70/1386895070.db2.gz BWGTUDOTVQNNHF-AWEZNQCLSA-N -2 3 341.388 3.063 20 0 EGADHL O=C([N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CCCC1 ZINC000826459619 1442493976 /nfs/dbraw/zinc/49/39/76/1442493976.db2.gz RDGWQDUGKQSUOD-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL O=C([N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1CCCC1 ZINC000826459619 1442493977 /nfs/dbraw/zinc/49/39/77/1442493977.db2.gz RDGWQDUGKQSUOD-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL O=C([O-])[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCCCC1 ZINC000911781529 939782276 /nfs/dbraw/zinc/78/22/76/939782276.db2.gz KBRQBFNHTFJSLQ-CQSZACIVSA-N -2 3 325.792 3.199 20 0 EGADHL CC(C)(C)CC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)C(=O)[O-] ZINC001602860269 971714317 /nfs/dbraw/zinc/71/43/17/971714317.db2.gz YDVVLQCKTWRMPD-NSHDSACASA-N -2 3 349.324 3.452 20 0 EGADHL CC(C)[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001603087642 972160927 /nfs/dbraw/zinc/16/09/27/972160927.db2.gz BMNODUCJGYNYBB-SNVBAGLBSA-N -2 3 340.153 3.311 20 0 EGADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013345651 957033267 /nfs/dbraw/zinc/03/32/67/957033267.db2.gz LDVRLVBHASGIQP-UHFFFAOYSA-N -2 3 335.381 3.015 20 0 EGADHL CC(C)c1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001591942754 976472728 /nfs/dbraw/zinc/47/27/28/976472728.db2.gz ICSBORUOIJTJDX-MRXNPFEDSA-N -2 3 345.370 3.253 20 0 EGADHL C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001592465210 978203971 /nfs/dbraw/zinc/20/39/71/978203971.db2.gz AGPLVEFUNDOTPK-QMMMGPOBSA-N -2 3 349.811 3.034 20 0 EGADHL CCC1(CC)CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001595374595 980885538 /nfs/dbraw/zinc/88/55/38/980885538.db2.gz KENREUXMVLGBEI-UHFFFAOYSA-N -2 3 329.418 3.005 20 0 EGADHL CC[C@@H](C)C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001594937576 982601285 /nfs/dbraw/zinc/60/12/85/982601285.db2.gz WRMPSNCNOCSATC-PELKAZGASA-N -2 3 335.297 3.062 20 0 EGADHL CSc1ccc([O-])c(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])c1 ZINC001599820355 988503035 /nfs/dbraw/zinc/50/30/35/988503035.db2.gz VQYBESNXFYPIDD-GFCCVEGCSA-N -2 3 337.441 3.125 20 0 EGADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593155652 993968652 /nfs/dbraw/zinc/96/86/52/993968652.db2.gz MVMGJSVWBRFXJF-BXUZGUMPSA-N -2 3 347.798 3.107 20 0 EGADHL C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)C(C)(C)C(=O)[O-] ZINC001593566065 995661751 /nfs/dbraw/zinc/66/17/51/995661751.db2.gz VALZYIOJKZZQGX-ZCFIWIBFSA-N -2 3 343.788 3.108 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000152922245 152518104 /nfs/dbraw/zinc/51/81/04/152518104.db2.gz DMRXQJUWDKTLPF-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000318788765 308766770 /nfs/dbraw/zinc/76/67/70/308766770.db2.gz PYQBUFFUDOKHCC-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1cc(Cl)cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1[O-] ZINC000439395173 309832062 /nfs/dbraw/zinc/83/20/62/309832062.db2.gz GQUXSBWERKIKOU-UHFFFAOYSA-N -2 3 343.770 3.498 20 0 EGADHL Cc1nc(C=Cc2cnc(C3CCC3)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443441808 309901145 /nfs/dbraw/zinc/90/11/45/309901145.db2.gz KUKHYDMEUWYFHG-FNORWQNLSA-N -2 3 345.424 3.402 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)o1 ZINC000582418069 325439903 /nfs/dbraw/zinc/43/99/03/325439903.db2.gz BFHWDVBLOUKJAD-CQSZACIVSA-N -2 3 349.408 3.188 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000043586964 454069309 /nfs/dbraw/zinc/06/93/09/454069309.db2.gz LTRNMFLWASAFFT-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(C)s1 ZINC000063009481 454391631 /nfs/dbraw/zinc/39/16/31/454391631.db2.gz ZDLGYVKXUNHALU-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000074983584 454669990 /nfs/dbraw/zinc/66/99/90/454669990.db2.gz DCRGGLQHBIJCOD-UHFFFAOYSA-N -2 3 349.408 3.363 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000152923905 454742545 /nfs/dbraw/zinc/74/25/45/454742545.db2.gz IBPJQULLGKKKIY-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000127888311 455007017 /nfs/dbraw/zinc/00/70/17/455007017.db2.gz AZQMFWLSHDYKEK-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000184659530 455422956 /nfs/dbraw/zinc/42/29/56/455422956.db2.gz VCYFHJPLBAGGLB-CQSZACIVSA-N -2 3 347.436 3.367 20 0 EGADHL Cc1cc(Cl)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503730 455970231 /nfs/dbraw/zinc/97/02/31/455970231.db2.gz BFNMSGJEQISPLG-QPJJXVBHSA-N -2 3 332.787 3.228 20 0 EGADHL CSc1nc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)n[n-]1 ZINC000340265866 456350697 /nfs/dbraw/zinc/35/06/97/456350697.db2.gz IEHWLWRJLASJLO-UHFFFAOYSA-N -2 3 335.776 3.087 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1F ZINC000320126978 456627075 /nfs/dbraw/zinc/62/70/75/456627075.db2.gz ITJKYIZXNBRCKC-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000324702238 456672110 /nfs/dbraw/zinc/67/21/10/456672110.db2.gz AMUBFWBFQUEPNU-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447271660 458278170 /nfs/dbraw/zinc/27/81/70/458278170.db2.gz SKNUVVFKAYSMMA-UHFFFAOYSA-N -3 3 347.392 3.159 20 0 EGADHL Cc1ccccc1-c1cc(=NC(=O)c2cc(F)c([O-])c(F)c2)[nH][n-]1 ZINC000436973787 458415343 /nfs/dbraw/zinc/41/53/43/458415343.db2.gz ZCFOBTMQYXXGEZ-UHFFFAOYSA-N -2 3 329.306 3.043 20 0 EGADHL C[C@@H]1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)c2c([O-])cccc21 ZINC000663049437 461437205 /nfs/dbraw/zinc/43/72/05/461437205.db2.gz PYYDAOGCOFINEU-GFCCVEGCSA-N -2 3 341.363 3.010 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-])C1CCCC1 ZINC000656624858 461809780 /nfs/dbraw/zinc/80/97/80/461809780.db2.gz RQBVUZLPPBLNRT-CQSZACIVSA-N -2 3 347.864 3.301 20 0 EGADHL Cc1oc(C(=O)[O-])cc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000738965671 576371092 /nfs/dbraw/zinc/37/10/92/576371092.db2.gz HVUKJSKJJCNSFB-UHFFFAOYSA-N -2 3 339.347 3.230 20 0 EGADHL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c([O-])c1 ZINC000776678804 600979900 /nfs/dbraw/zinc/97/99/00/600979900.db2.gz SHJWAUKIVCWUBG-CQSZACIVSA-N -2 3 333.771 3.300 20 0 EGADHL Cc1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1[O-] ZINC000077166022 1292452987 /nfs/dbraw/zinc/45/29/87/1292452987.db2.gz LYEVGONQFDDMKM-CFNZNRNTSA-N -2 3 326.348 3.449 20 0 EGADHL O=C([O-])c1ccoc1COc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764441711 1302064185 /nfs/dbraw/zinc/06/41/85/1302064185.db2.gz JNYABQJDXUTPIP-UTCJRWHESA-N -2 3 338.319 3.223 20 0 EGADHL CC(C)C[C@](C)(CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000923190696 1322708661 /nfs/dbraw/zinc/70/86/61/1322708661.db2.gz ITSGNSXGCLVXTI-GOSISDBHSA-N -2 3 339.407 3.107 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1c(F)ccc(F)c1[O-] ZINC001192705602 1367856869 /nfs/dbraw/zinc/85/68/69/1367856869.db2.gz BHEJXQSSXFASPH-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL COc1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001196761419 1368678408 /nfs/dbraw/zinc/67/84/08/1368678408.db2.gz MPPCDJVKBCCKBP-UHFFFAOYSA-N -2 3 349.742 3.133 20 0 EGADHL O=S(=O)(Cc1c(F)cccc1F)[N-]c1c([O-])cccc1Cl ZINC001197600042 1368851150 /nfs/dbraw/zinc/85/11/50/1368851150.db2.gz HKUSVKSBXWQERK-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL CC(C)c1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1 ZINC001198631038 1369077609 /nfs/dbraw/zinc/07/76/09/1369077609.db2.gz SIKMOXYXGGGMQH-UHFFFAOYSA-N -2 3 330.390 3.054 20 0 EGADHL O=S(=O)([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)c(Cl)c1 ZINC001213386682 1372898073 /nfs/dbraw/zinc/89/80/73/1372898073.db2.gz PDODKRWSFOZIGC-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL O=C([O-])c1cnc(F)c(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001215133847 1373176104 /nfs/dbraw/zinc/17/61/04/1373176104.db2.gz KCZXJTKKIRPBIA-UHFFFAOYSA-N -2 3 345.099 3.270 20 0 EGADHL CC(=O)c1cccc([O-])c1NC(=O)c1c([O-])cnc2ccc(C)cc21 ZINC001154532545 1380300179 /nfs/dbraw/zinc/30/01/79/1380300179.db2.gz PTAQWWBKQTVYNA-UHFFFAOYSA-N -2 3 336.347 3.409 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C ZINC000032586455 957175521 /nfs/dbraw/zinc/17/55/21/957175521.db2.gz HOPLFJWFBLPJIE-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([O-])[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(F)cc1 ZINC001574546632 961950887 /nfs/dbraw/zinc/95/08/87/961950887.db2.gz DJWXMMVESAWKIF-KRWDZBQOSA-N -2 3 339.322 3.240 20 0 EGADHL CC(C)C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588905213 962260243 /nfs/dbraw/zinc/26/02/43/962260243.db2.gz FWGRQPVAIMLWTJ-KRWDZBQOSA-N -2 3 341.407 3.212 20 0 EGADHL O=C([O-])[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccccc1 ZINC001605825622 972560918 /nfs/dbraw/zinc/56/09/18/972560918.db2.gz UOOQSZMTZYBKAU-HNNXBMFYSA-N -2 3 327.361 3.163 20 0 EGADHL CC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001603901305 974402822 /nfs/dbraw/zinc/40/28/22/974402822.db2.gz HKOGQURVZIILOF-SECBINFHSA-N -2 3 326.126 3.065 20 0 EGADHL CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595621876 981704540 /nfs/dbraw/zinc/70/45/40/981704540.db2.gz QIYLEGQGKPMASE-STQMWFEESA-N -2 3 343.445 3.171 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c1 ZINC001597556183 988285808 /nfs/dbraw/zinc/28/58/08/988285808.db2.gz JNLDSWIWWNEJBQ-DZKIICNBSA-N -2 3 331.412 3.060 20 0 EGADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC001597557128 988295101 /nfs/dbraw/zinc/29/51/01/988295101.db2.gz YJEPAXDLBIPUAR-UHFFFAOYSA-N -2 3 347.798 3.335 20 0 EGADHL CC(C)OCCS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000176471869 207230903 /nfs/dbraw/zinc/23/09/03/207230903.db2.gz UCLDVTFQPBIGLC-UHFFFAOYSA-N -2 3 349.452 3.150 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1C ZINC000013345407 207373763 /nfs/dbraw/zinc/37/37/63/207373763.db2.gz PXPBZBGQJRQJFB-UXBLZVDNSA-N -2 3 331.393 3.202 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000351753083 144301136 /nfs/dbraw/zinc/30/11/36/144301136.db2.gz CQMDBMVDWJRCIX-UHFFFAOYSA-N -2 3 344.392 3.197 20 0 EGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000336852361 154219299 /nfs/dbraw/zinc/21/92/99/154219299.db2.gz PBYWZCILVVHYTG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1nc(C=Cc2cnc(C(C)(C)C)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107612 156356104 /nfs/dbraw/zinc/35/61/04/156356104.db2.gz KHLLNQYETHLZRC-AATRIKPKSA-N -2 3 333.413 3.042 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1csc(=NC2CC2)[n-]1 ZINC000355878631 166335672 /nfs/dbraw/zinc/33/56/72/166335672.db2.gz HUIAHRKJMZBSOI-UHFFFAOYSA-N -2 3 344.223 3.404 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1ccc2c(c1)CCCC2 ZINC000414396652 309077679 /nfs/dbraw/zinc/07/76/79/309077679.db2.gz PHJQQGLZOCARTN-UHFFFAOYSA-N -2 3 339.363 3.350 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC000295917725 308374604 /nfs/dbraw/zinc/37/46/04/308374604.db2.gz JLGMRLOLEHNFOY-QGZVFWFLSA-N -2 3 335.425 3.084 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1Cl ZINC000319034522 308766854 /nfs/dbraw/zinc/76/68/54/308766854.db2.gz KFBXXMDXQIUKDZ-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1F ZINC000323742871 308768652 /nfs/dbraw/zinc/76/86/52/308768652.db2.gz BRICRJYKIJMPKY-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000324854037 308769621 /nfs/dbraw/zinc/76/96/21/308769621.db2.gz GACYXBXOSHNTHY-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL Cc1nc(C=Cc2ccccc2OCC(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000453024023 310253315 /nfs/dbraw/zinc/25/33/15/310253315.db2.gz JQQLLFATWDKWJG-HJWRWDBZSA-N -2 3 342.395 3.323 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C(=O)[O-])c1 ZINC000460819704 310586089 /nfs/dbraw/zinc/58/60/89/310586089.db2.gz JMMQHTGIRLJFBZ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000532025192 313745344 /nfs/dbraw/zinc/74/53/44/313745344.db2.gz UCGHGIQTAMEDCM-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)c1C ZINC000548211814 314986189 /nfs/dbraw/zinc/98/61/89/314986189.db2.gz FNNOLBVFSYXPPP-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc([O-])ccc1Cl ZINC000550442309 315128172 /nfs/dbraw/zinc/12/81/72/315128172.db2.gz WTBOKMSACDOBGI-UHFFFAOYSA-N -2 3 345.811 3.162 20 0 EGADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000388173699 324273469 /nfs/dbraw/zinc/27/34/69/324273469.db2.gz KMQYXQMGUYMJBT-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000032098376 453865008 /nfs/dbraw/zinc/86/50/08/453865008.db2.gz ZGMXMNVIYABGMZ-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL CC(C)c1cc(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)on1 ZINC000081731255 453905983 /nfs/dbraw/zinc/90/59/83/453905983.db2.gz NBPNSOPDBJZMAA-UHFFFAOYSA-N -2 3 333.298 3.114 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(Cl)c1 ZINC000319964516 456624378 /nfs/dbraw/zinc/62/43/78/456624378.db2.gz QAXYEDDTIMVNMV-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC000320571741 456630812 /nfs/dbraw/zinc/63/08/12/456630812.db2.gz VXWYRXPBJUDFDY-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c(C)c1 ZINC000320855185 456633502 /nfs/dbraw/zinc/63/35/02/456633502.db2.gz IAMODOFFHMZJPH-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(SC)c2C)c1 ZINC000342784371 457526325 /nfs/dbraw/zinc/52/63/25/457526325.db2.gz SYLDWXPLJIXVIW-UHFFFAOYSA-N -2 3 339.438 3.232 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC(=O)[O-])cc2)CC)n1 ZINC000435338231 458117710 /nfs/dbraw/zinc/11/77/10/458117710.db2.gz BMIFRCTVYFRYQM-GXDHUFHOSA-N -2 3 342.395 3.136 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C ZINC000435718905 458189888 /nfs/dbraw/zinc/18/98/88/458189888.db2.gz HCDAWZNDUNNTCX-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000547871811 458809623 /nfs/dbraw/zinc/80/96/23/458809623.db2.gz UMYGLEUKJKEFOW-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C(Nc1ccccc1[O-])c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000618492106 460028892 /nfs/dbraw/zinc/02/88/92/460028892.db2.gz AESYCGXKJJKKOM-UHFFFAOYSA-N -2 3 329.743 3.189 20 0 EGADHL CC(C)c1c(Cc2ccccc2)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000634587654 460439873 /nfs/dbraw/zinc/43/98/73/460439873.db2.gz UYFGSFFLPZIBNE-CQSZACIVSA-N -2 3 344.802 3.053 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)oc1C(=O)[O-] ZINC000663423873 461635730 /nfs/dbraw/zinc/63/57/30/461635730.db2.gz ZTXQPPHTDUUSEW-OAHLLOKOSA-N -2 3 349.408 3.106 20 0 EGADHL CC(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c([O-])c1 ZINC000735922966 575736867 /nfs/dbraw/zinc/73/68/67/575736867.db2.gz PUWRVTJFIMEETM-UHFFFAOYSA-N -2 3 341.346 3.087 20 0 EGADHL CC(C)c1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c([O-])c1 ZINC000735922966 575736870 /nfs/dbraw/zinc/73/68/70/575736870.db2.gz PUWRVTJFIMEETM-UHFFFAOYSA-N -2 3 341.346 3.087 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736522223 575976914 /nfs/dbraw/zinc/97/69/14/575976914.db2.gz XUVKPKFXQBTIHO-UHFFFAOYSA-N -2 3 348.424 3.378 20 0 EGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3sccc3s2)s1 ZINC000739776745 576504889 /nfs/dbraw/zinc/50/48/89/576504889.db2.gz KEWZSBSNBCAVBU-UHFFFAOYSA-N -2 3 339.423 3.084 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C(C2CCCC2)C2CCCC2)o1 ZINC000740172798 576558816 /nfs/dbraw/zinc/55/88/16/576558816.db2.gz HSTKKZBJFVPZOH-UHFFFAOYSA-N -2 3 341.429 3.005 20 0 EGADHL C[C@H](Sc1ccccc1C(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000833543983 604795956 /nfs/dbraw/zinc/79/59/56/604795956.db2.gz CAQPCNGSAOXGKS-VIFPVBQESA-N -2 3 335.356 3.349 20 0 EGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc2c(cc1[O-])OCO2 ZINC000436964132 1297846425 /nfs/dbraw/zinc/84/64/25/1297846425.db2.gz LVJOXNTVLIKOOI-UHFFFAOYSA-N -2 3 342.134 3.386 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc(C)c1C ZINC001185909085 1387826114 /nfs/dbraw/zinc/82/61/14/1387826114.db2.gz HKYAKIAXHPTXHI-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CC(=O)c1cccc([O-])c1NC(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195302924 1368416729 /nfs/dbraw/zinc/41/67/29/1368416729.db2.gz PQIVVQOYSFMIQS-UHFFFAOYSA-N -2 3 343.232 3.109 20 0 EGADHL CCCCc1ccc(NC(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001187748407 1388154760 /nfs/dbraw/zinc/15/47/60/1388154760.db2.gz XLOZELLCBRHUNH-UHFFFAOYSA-N -2 3 328.349 3.109 20 0 EGADHL CCCCOc1ccc(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c([O-])c1 ZINC001589653980 949799871 /nfs/dbraw/zinc/79/98/71/949799871.db2.gz GNZIQEOSABDNJE-LJQANCHMSA-N -2 3 349.427 3.288 20 0 EGADHL CC(C)[C@@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588829623 961688235 /nfs/dbraw/zinc/68/82/35/961688235.db2.gz LTKAXWPEVRADFP-MRXNPFEDSA-N -2 3 343.379 3.271 20 0 EGADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)Cc2ccccc21 ZINC001574657869 962477632 /nfs/dbraw/zinc/47/76/32/962477632.db2.gz JPLQBLAGFLNOHV-GOSISDBHSA-N -2 3 347.370 3.370 20 0 EGADHL CC[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)[C@H](C)C(=O)[O-] ZINC001595351725 980660698 /nfs/dbraw/zinc/66/06/98/980660698.db2.gz KFQNBSVDAXHJON-OIBJUYFYSA-N -2 3 326.299 3.157 20 0 EGADHL CC(C)(C)C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001589743712 988031982 /nfs/dbraw/zinc/03/19/82/988031982.db2.gz VYAOGLRTMIRQFO-NSHDSACASA-N -2 3 335.297 3.062 20 0 EGADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001599883305 989514220 /nfs/dbraw/zinc/51/42/20/989514220.db2.gz AOPFPUXQBZDNEK-IBGZPJMESA-N -2 3 341.363 3.264 20 0 EGADHL C[C@](NC(=O)c1cc([O-])c2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC001593156955 993981242 /nfs/dbraw/zinc/98/12/42/993981242.db2.gz YNCUQQRTCSLKQP-HXUWFJFHSA-N -2 3 335.359 3.275 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(=O)[O-] ZINC000072003596 202365337 /nfs/dbraw/zinc/36/53/37/202365337.db2.gz ZUOGFFKXUWJVFU-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000012782691 207242250 /nfs/dbraw/zinc/24/22/50/207242250.db2.gz KXFRCIIGBHVNFQ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(F)c1 ZINC000013345971 207375659 /nfs/dbraw/zinc/37/56/59/207375659.db2.gz AHHURFAOFNDMIR-WEVVVXLNSA-N -2 3 335.356 3.033 20 0 EGADHL O=C([O-])CCc1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1 ZINC000361396478 141418388 /nfs/dbraw/zinc/41/83/88/141418388.db2.gz UKKYCDVRLVMNER-UHFFFAOYSA-N -2 3 330.290 3.298 20 0 EGADHL Cc1nc(C=Cc2cccc(OCC(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106423 156355062 /nfs/dbraw/zinc/35/50/62/156355062.db2.gz IOQCXDZPUIVKJT-BQYQJAHWSA-N -2 3 342.395 3.323 20 0 EGADHL Cc1nc(C=Cc2ccc(OCC3CC3)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107481 156355804 /nfs/dbraw/zinc/35/58/04/156355804.db2.gz JYOJQJJTIATUDD-RMKNXTFCSA-N -2 3 340.379 3.077 20 0 EGADHL CCO[C@H](C)c1ncc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)s1 ZINC000359015991 167038555 /nfs/dbraw/zinc/03/85/55/167038555.db2.gz PSEZEVIOTAINLU-SECBINFHSA-N -2 3 347.400 3.179 20 0 EGADHL CCc1cc(OC)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443443569 309901261 /nfs/dbraw/zinc/90/12/61/309901261.db2.gz ISZWUUCOPQKELJ-RMKNXTFCSA-N -2 3 342.395 3.249 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(F)c1 ZINC000471130592 310733942 /nfs/dbraw/zinc/73/39/42/310733942.db2.gz WIGKFVFOINJLSK-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2CC)cc1 ZINC000531364838 313660231 /nfs/dbraw/zinc/66/02/31/313660231.db2.gz ZSQUJUHKBKUTHW-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)ccc1C(=O)[O-] ZINC000387179733 324269975 /nfs/dbraw/zinc/26/99/75/324269975.db2.gz WPLDFPPEBHFBPF-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1C ZINC000580855753 325302230 /nfs/dbraw/zinc/30/22/30/325302230.db2.gz XCFJUOQPNIVCMN-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000066588280 453853416 /nfs/dbraw/zinc/85/34/16/453853416.db2.gz WCBKBAHPQBXVSA-UHFFFAOYSA-N -2 3 337.422 3.049 20 0 EGADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000047906628 454418478 /nfs/dbraw/zinc/41/84/78/454418478.db2.gz MPPKHIYWHZPENT-UHFFFAOYSA-N -2 3 349.408 3.074 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)[O-] ZINC000323912507 456658107 /nfs/dbraw/zinc/65/81/07/456658107.db2.gz SCXKINAEPCDAKM-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1SC ZINC000347393695 457398604 /nfs/dbraw/zinc/39/86/04/457398604.db2.gz VJLRDYRLFNYQAO-FNORWQNLSA-N -2 3 346.408 3.019 20 0 EGADHL Cc1nc(C=Cc2cccc(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347423297 457418300 /nfs/dbraw/zinc/41/83/00/457418300.db2.gz UZSRHKHHYORDHG-WAYWQWQTSA-N -2 3 349.184 3.051 20 0 EGADHL O=S(=O)([N-]c1ccc(F)cc1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436481036 458311068 /nfs/dbraw/zinc/31/10/68/458311068.db2.gz ZPFMIVTUEQVUGA-UHFFFAOYSA-N -2 3 335.278 3.351 20 0 EGADHL COc1cc(C)cc(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)c1[O-] ZINC000436827668 458389592 /nfs/dbraw/zinc/38/95/92/458389592.db2.gz FIVPCKWBNDIYOJ-UHFFFAOYSA-N -2 3 337.379 3.082 20 0 EGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]nc(C(F)(F)F)s1 ZINC000436858417 458394997 /nfs/dbraw/zinc/39/49/97/458394997.db2.gz UBVWJGOMYXHOCI-UHFFFAOYSA-N -2 3 345.346 3.369 20 0 EGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000436892495 458401444 /nfs/dbraw/zinc/40/14/44/458401444.db2.gz JYHWIEHFHVHWLM-UHFFFAOYSA-N -3 3 343.360 3.044 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])C1CCCCC1 ZINC000656614886 461806641 /nfs/dbraw/zinc/80/66/41/461806641.db2.gz RKZUIOCZJBCFMF-MRXNPFEDSA-N -2 3 327.446 3.038 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C ZINC000058380962 546559594 /nfs/dbraw/zinc/55/95/94/546559594.db2.gz AJWMFHWQCBSQGY-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cc([N-]C(=O)c2cc(-c3ccccn3)no2)sc1C(=O)[O-] ZINC000738239495 574540262 /nfs/dbraw/zinc/54/02/62/574540262.db2.gz ADMUGSAKQDKZFZ-UHFFFAOYSA-N -2 3 329.337 3.057 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1OC(C)C ZINC000738463871 574696788 /nfs/dbraw/zinc/69/67/88/574696788.db2.gz QUDSGXKYMJJPIV-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(NC(=O)[O-])cc3)c([O-])c2O1 ZINC000736736308 576017570 /nfs/dbraw/zinc/01/75/70/576017570.db2.gz BRMWIUXHOXZHNP-UHFFFAOYSA-N -2 3 342.351 3.448 20 0 EGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738401721 576321869 /nfs/dbraw/zinc/32/18/69/576321869.db2.gz GEUUYULWPUNQMJ-UHFFFAOYSA-N -2 3 342.323 3.164 20 0 EGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000324035875 600541348 /nfs/dbraw/zinc/54/13/48/600541348.db2.gz PXQFCPLIJYMSHC-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324508373 601240054 /nfs/dbraw/zinc/24/00/54/601240054.db2.gz MUACIWCYCCBXTQ-JTQLQIEISA-N -2 3 349.399 3.300 20 0 EGADHL Cc1sc([N-]S(=O)(=O)/C=C/c2ccccc2)c(C(=O)[O-])c1C ZINC000833757970 605022688 /nfs/dbraw/zinc/02/26/88/605022688.db2.gz GDPGCTGDORRKHV-CMDGGOBGSA-N -2 3 337.422 3.476 20 0 EGADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[n-]c2ccccc2c1=O ZINC000163556685 1294335339 /nfs/dbraw/zinc/33/53/39/1294335339.db2.gz QHLXYISCUJFTFZ-UHFFFAOYSA-N -2 3 337.360 3.210 20 0 EGADHL O=S(=O)(Nc1c(Cl)ccc([O-])c1Cl)c1ccc([O-])cc1 ZINC001195795987 1368491723 /nfs/dbraw/zinc/49/17/23/1368491723.db2.gz KBLYVNFELMUONI-UHFFFAOYSA-N -2 3 334.180 3.205 20 0 EGADHL COc1cccc(CS(=O)(=O)[N-]c2cc3ccccc3cc2[O-])c1 ZINC001197380348 1368802030 /nfs/dbraw/zinc/80/20/30/1368802030.db2.gz IFZWIQOBSXHBNG-UHFFFAOYSA-N -2 3 343.404 3.496 20 0 EGADHL O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1ccc(F)cc1[O-] ZINC001197672293 1368870352 /nfs/dbraw/zinc/87/03/52/1368870352.db2.gz KAUUHPTUFNFZNT-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL O=c1[n-]cnc(Nc2c(Cl)ccc([O-])c2F)c1Br ZINC001214557932 1373079488 /nfs/dbraw/zinc/07/94/88/1373079488.db2.gz LGPFDFNVRXFWBY-UHFFFAOYSA-N -2 3 334.532 3.186 20 0 EGADHL CCC(C)(C)C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736315217 1428641696 /nfs/dbraw/zinc/64/16/96/1428641696.db2.gz XDILXVDFXHWEJO-UHFFFAOYSA-N -2 3 342.428 3.365 20 0 EGADHL CCC(C)(C)C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736315217 1428641701 /nfs/dbraw/zinc/64/17/01/1428641701.db2.gz XDILXVDFXHWEJO-UHFFFAOYSA-N -2 3 342.428 3.365 20 0 EGADHL CCC[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825234053 1441787272 /nfs/dbraw/zinc/78/72/72/1441787272.db2.gz VTXUTIBDERHQOQ-JTQLQIEISA-N -2 3 342.428 3.365 20 0 EGADHL CCC[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825234053 1441787275 /nfs/dbraw/zinc/78/72/75/1441787275.db2.gz VTXUTIBDERHQOQ-JTQLQIEISA-N -2 3 342.428 3.365 20 0 EGADHL O=C([O-])[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CCCCCC1 ZINC000911781527 939782294 /nfs/dbraw/zinc/78/22/94/939782294.db2.gz KBRQBFNHTFJSLQ-AWEZNQCLSA-N -2 3 325.792 3.199 20 0 EGADHL CCCCOc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c([O-])c1 ZINC001589653894 949797592 /nfs/dbraw/zinc/79/75/92/949797592.db2.gz AGBMTCIRNWYWER-AWEZNQCLSA-N -2 3 349.427 3.288 20 0 EGADHL O=C([O-])CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCC1 ZINC001595068298 951579257 /nfs/dbraw/zinc/57/92/57/951579257.db2.gz PHPSSDMZCFUCIW-UHFFFAOYSA-N -2 3 341.363 3.264 20 0 EGADHL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000318873725 970484206 /nfs/dbraw/zinc/48/42/06/970484206.db2.gz KVBZOEAZAHIXDD-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c([O-])c1 ZINC001597500373 988055200 /nfs/dbraw/zinc/05/52/00/988055200.db2.gz LIKHKUWAIGEERG-INIZCTEOSA-N -2 3 327.380 3.209 20 0 EGADHL CSCc1c2ccccc2oc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001599802338 988197902 /nfs/dbraw/zinc/19/79/02/988197902.db2.gz YJNWSLZLXXKPIS-UHFFFAOYSA-N -2 3 349.393 3.098 20 0 EGADHL CC(C)(CC(=O)[O-])NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001590642243 990332177 /nfs/dbraw/zinc/33/21/77/990332177.db2.gz SIACTBGWSMTNOD-UHFFFAOYSA-N -2 3 341.407 3.161 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000045945848 204331686 /nfs/dbraw/zinc/33/16/86/204331686.db2.gz PFYWQQGXWFIKGU-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC000319434397 154162075 /nfs/dbraw/zinc/16/20/75/154162075.db2.gz QKBWWRFQPYQYKP-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000325701309 154180541 /nfs/dbraw/zinc/18/05/41/154180541.db2.gz SNVWGMVCMLZJSW-GFCCVEGCSA-N -2 3 349.408 3.074 20 0 EGADHL Cc1nc(C=Cc2cccc(-c3cccnc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105223 156354921 /nfs/dbraw/zinc/35/49/21/156354921.db2.gz GMKJDHSYKOTQGL-FPLPWBNLSA-N -2 3 347.374 3.350 20 0 EGADHL Cc1nc(C=CC=Cc2ccc(F)c(F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000349109686 156355170 /nfs/dbraw/zinc/35/51/70/156355170.db2.gz OKVILKWYVQGYTK-VOERYJCWSA-N -2 3 346.333 3.100 20 0 EGADHL Cc1nc(C=Cc2ncc(C(C)(C)C)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349108195 156355972 /nfs/dbraw/zinc/35/59/72/156355972.db2.gz LBHIYKSZIXSIKH-AATRIKPKSA-N -2 3 333.413 3.042 20 0 EGADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc([O-])ccc1Cl ZINC000352242118 165304483 /nfs/dbraw/zinc/30/44/83/165304483.db2.gz RDMHIERIIMGNKK-UHFFFAOYSA-N -2 3 349.799 3.028 20 0 EGADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000156270892 307829835 /nfs/dbraw/zinc/82/98/35/307829835.db2.gz HPXUKAWGPCKQAS-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CC(C)Oc1c([N-]S(=O)(=O)C2=CCCCC2)cccc1C(=O)[O-] ZINC000295151388 308297192 /nfs/dbraw/zinc/29/71/92/308297192.db2.gz BRFNUENLKMGWHN-UHFFFAOYSA-N -2 3 339.413 3.372 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000324018825 308768998 /nfs/dbraw/zinc/76/89/98/308768998.db2.gz LLIOMTBKQANNOG-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H](CC)CCC ZINC000514774897 312244668 /nfs/dbraw/zinc/24/46/68/312244668.db2.gz VJWOPKWJWZUFNU-CYBMUJFWSA-N -2 3 343.445 3.494 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C ZINC000519200882 312444977 /nfs/dbraw/zinc/44/49/77/312444977.db2.gz MLVIFSYINFEQIG-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000521669716 312555693 /nfs/dbraw/zinc/55/56/93/312555693.db2.gz KLRMLDYTSCIOBP-ARJAWSKDSA-N -2 3 347.392 3.227 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000386321729 324267996 /nfs/dbraw/zinc/26/79/96/324267996.db2.gz NNUNOLSFZNWLIV-UHFFFAOYSA-N -2 3 341.335 3.432 20 0 EGADHL Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2[O-])cc1 ZINC000012855980 453416014 /nfs/dbraw/zinc/41/60/14/453416014.db2.gz YHUGMZIFSRBZFO-UHFFFAOYSA-N -2 3 340.408 3.260 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(F)c1 ZINC000084461020 453990475 /nfs/dbraw/zinc/99/04/75/453990475.db2.gz ORKAFGBFUQVVOB-UHFFFAOYSA-N -2 3 345.351 3.478 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000078677202 454298219 /nfs/dbraw/zinc/29/82/19/454298219.db2.gz BMKDZILGGGTVEG-UHFFFAOYSA-N -2 3 344.392 3.284 20 0 EGADHL CCOc1cc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)cc(Cl)c1[O-] ZINC000263054438 456084721 /nfs/dbraw/zinc/08/47/21/456084721.db2.gz LJNKWNIZPDCAIT-JQWIXIFHSA-N -2 3 327.808 3.129 20 0 EGADHL Cc1nc(C=Cc2cccc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347386593 457393613 /nfs/dbraw/zinc/39/36/13/457393613.db2.gz SSUXDGWZSHGQIF-AATRIKPKSA-N -2 3 338.285 3.307 20 0 EGADHL Cc1nc(C=Cc2ccccc2OC(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000347388104 457395607 /nfs/dbraw/zinc/39/56/07/457395607.db2.gz FTOCJHSRBNURKH-NTMALXAHSA-N -2 3 342.395 3.465 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000391740508 457452394 /nfs/dbraw/zinc/45/23/94/457452394.db2.gz QSPRTMUAXVDGMO-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL COc1cccc(Cl)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443441340 457765715 /nfs/dbraw/zinc/76/57/15/457765715.db2.gz KRSZTHWKZWGNQB-VURMDHGXSA-N -2 3 348.786 3.340 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000435717704 458189870 /nfs/dbraw/zinc/18/98/70/458189870.db2.gz QJBGQBREBUMRSI-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc([O-])cc2F)n1 ZINC000436749472 458373211 /nfs/dbraw/zinc/37/32/11/458373211.db2.gz UBFSYNPTPXSOJB-UHFFFAOYSA-N -2 3 341.342 3.237 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000530887862 458840508 /nfs/dbraw/zinc/84/05/08/458840508.db2.gz LTEQPEWNFAMUPC-UHFFFAOYSA-N -2 3 345.420 3.237 20 0 EGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442241595 458999523 /nfs/dbraw/zinc/99/95/23/458999523.db2.gz ZJYLXSVZUVWOQO-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(Br)cc1[O-] ZINC000650181888 461626530 /nfs/dbraw/zinc/62/65/30/461626530.db2.gz CUVKXUKYZLKSMU-SNVBAGLBSA-N -2 3 336.251 3.475 20 0 EGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)s1 ZINC000736920172 576060830 /nfs/dbraw/zinc/06/08/30/576060830.db2.gz JFBBEQJGQYBZEG-SSDOTTSWSA-N -2 3 349.817 3.122 20 0 EGADHL O=C([O-])CCCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000739668287 576495821 /nfs/dbraw/zinc/49/58/21/576495821.db2.gz MRFSSXMLYCJAEB-UHFFFAOYSA-N -2 3 341.407 3.358 20 0 EGADHL O=C([O-])CSCc1cccc(NC(=O)[N-]OCc2ccccc2)c1 ZINC000739870416 576512234 /nfs/dbraw/zinc/51/22/34/576512234.db2.gz FATARSRDMGYZPI-UHFFFAOYSA-N -2 3 346.408 3.258 20 0 EGADHL O=C([O-])c1cc(F)ccc1COC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000740289714 576574355 /nfs/dbraw/zinc/57/43/55/576574355.db2.gz ISWXPZFNSSWJCI-UHFFFAOYSA-N -2 3 346.339 3.333 20 0 EGADHL O=C([O-])c1cc(F)ccc1COC(=O)c1cc(-c2cccs2)n[n-]1 ZINC000740289714 576574357 /nfs/dbraw/zinc/57/43/57/576574357.db2.gz ISWXPZFNSSWJCI-UHFFFAOYSA-N -2 3 346.339 3.333 20 0 EGADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c([O-])c1 ZINC000832169734 600980653 /nfs/dbraw/zinc/98/06/53/600980653.db2.gz FWFQOXNVQMSHOQ-CQSZACIVSA-N -2 3 349.770 3.000 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748639546 601474251 /nfs/dbraw/zinc/47/42/51/601474251.db2.gz IYPNURIURNPRMV-UHFFFAOYSA-N -2 3 331.393 3.064 20 0 EGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000833294116 601857413 /nfs/dbraw/zinc/85/74/13/601857413.db2.gz DTZLDRLJVXRCKU-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C(Nc1cccc([O-])c1F)c1ccc(Br)cc1[O-] ZINC000180019160 1294854123 /nfs/dbraw/zinc/85/41/23/1294854123.db2.gz MUHIMDRJFVKKDV-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CCOc1cc(CC(=O)[O-])c(-c2ccc(=O)[n-]c2F)cc1OCC ZINC000901030131 1317374391 /nfs/dbraw/zinc/37/43/91/1317374391.db2.gz VHBWUCFWSOYAKE-UHFFFAOYSA-N -2 3 335.331 3.018 20 0 EGADHL O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1c([O-])cccc1F ZINC001189530590 1367046358 /nfs/dbraw/zinc/04/63/58/1367046358.db2.gz YUGFELOUMSEBAP-UHFFFAOYSA-N -2 3 349.305 3.492 20 0 EGADHL CCOC(=O)N=C([S-])Nc1ccc([C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC001195491136 1368444342 /nfs/dbraw/zinc/44/43/42/1368444342.db2.gz RZKDZVKRKMTIIK-LBPRGKRZSA-N -2 3 338.429 3.344 20 0 EGADHL CN(Cc1nc(=O)c2sccc2[n-]1)Cc1c(F)ccc([O-])c1F ZINC001326327428 1388155788 /nfs/dbraw/zinc/15/57/88/1388155788.db2.gz REFPFDACLFLICN-UHFFFAOYSA-N -2 3 337.351 3.013 20 0 EGADHL CCOC(Cc1c(=O)[n-]cnc1Nc1cccc([S-])c1)OCC ZINC001210945624 1372458832 /nfs/dbraw/zinc/45/88/32/1372458832.db2.gz XIBPNWRXXOAVEB-UHFFFAOYSA-N -2 3 335.429 3.156 20 0 EGADHL O=S(=O)([O-])c1ccc(Cl)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213386687 1372897540 /nfs/dbraw/zinc/89/75/40/1372897540.db2.gz PHCCTZQQGUHUCH-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL CCS(=O)(=O)c1ccc([O-])c(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214486365 1373069001 /nfs/dbraw/zinc/06/90/01/1373069001.db2.gz CRAZTRBSSYOHJW-UHFFFAOYSA-N -2 3 345.779 3.428 20 0 EGADHL O=S(=O)([N-]c1c(Cl)ccc(Br)c1[O-])C1CCC1 ZINC001188144151 1388249827 /nfs/dbraw/zinc/24/98/27/1388249827.db2.gz IADGFCJTPRGHBW-UHFFFAOYSA-N -2 3 340.626 3.102 20 0 EGADHL O=P([O-])([O-])CCCCO[C@@H]1CCc2ccc(Br)cc21 ZINC001225019037 1375089721 /nfs/dbraw/zinc/08/97/21/1375089721.db2.gz PJFJRYGPVFWSJO-CYBMUJFWSA-N -2 3 349.161 3.411 20 0 EGADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc2sccc2c([O-])c1 ZINC001136497278 1425766823 /nfs/dbraw/zinc/76/68/23/1425766823.db2.gz DRKWDPFENGTVBE-UHFFFAOYSA-N -2 3 337.364 3.039 20 0 EGADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc2sccc2c([O-])c1 ZINC001136497278 1425766827 /nfs/dbraw/zinc/76/68/27/1425766827.db2.gz DRKWDPFENGTVBE-UHFFFAOYSA-N -2 3 337.364 3.039 20 0 EGADHL Cc1ccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c([O-])c1 ZINC000902821683 956810609 /nfs/dbraw/zinc/81/06/09/956810609.db2.gz KKZNGIFKXWZIRD-AWEZNQCLSA-N -2 3 339.391 3.385 20 0 EGADHL O=C([O-])c1ccccc1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001574811054 957879098 /nfs/dbraw/zinc/87/90/98/957879098.db2.gz VELVOPFCCDPEQX-UHFFFAOYSA-N -2 3 341.260 3.071 20 0 EGADHL O=C([O-])CC1(CNC(=O)c2cc([O-])ccc2Cl)CCCCC1 ZINC000319644823 970557721 /nfs/dbraw/zinc/55/77/21/970557721.db2.gz PBJWCIKGGIAFRS-UHFFFAOYSA-N -2 3 325.792 3.201 20 0 EGADHL CC(C)[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001591837487 976114191 /nfs/dbraw/zinc/11/41/91/976114191.db2.gz NIWXZQOHFHJQAB-GOSISDBHSA-N -2 3 341.407 3.016 20 0 EGADHL CC[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)[C@@H](C)C(=O)[O-] ZINC001595351726 980660553 /nfs/dbraw/zinc/66/05/53/980660553.db2.gz KFQNBSVDAXHJON-XCBNKYQSSA-N -2 3 326.299 3.157 20 0 EGADHL O=C([O-])[C@H](CNC(=O)c1cc([O-])ccc1Cl)C1CCCCC1 ZINC000910235569 981800374 /nfs/dbraw/zinc/80/03/74/981800374.db2.gz ITBMYFYKGPGOEB-CYBMUJFWSA-N -2 3 325.792 3.057 20 0 EGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]2CCC[C@H]21 ZINC000910248800 981820566 /nfs/dbraw/zinc/82/05/66/981820566.db2.gz SCSYMKPGRPEJKX-GVDBMIGSSA-N -2 3 339.391 3.261 20 0 EGADHL CC[C@@](C)([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001594836535 982039423 /nfs/dbraw/zinc/03/94/23/982039423.db2.gz ZAADZZOTHVPSDB-GFCCVEGCSA-N -2 3 340.153 3.455 20 0 EGADHL COc1cccc([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])c1 ZINC001599686049 990988881 /nfs/dbraw/zinc/98/88/81/990988881.db2.gz AFDKHVBVGTZTBE-KRWDZBQOSA-N -2 3 343.379 3.080 20 0 EGADHL C[C@@](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])(C(=O)[O-])C1CC1 ZINC001593154508 993963643 /nfs/dbraw/zinc/96/36/43/993963643.db2.gz DZWJNKOFEFRALS-IBGZPJMESA-N -2 3 341.363 3.168 20 0 EGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1F ZINC000012816191 207250388 /nfs/dbraw/zinc/25/03/88/207250388.db2.gz CLKDFYSZTOISBO-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1Cl ZINC000013340796 207373643 /nfs/dbraw/zinc/37/36/43/207373643.db2.gz RBLBGONUFWOLTK-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000342974888 141154092 /nfs/dbraw/zinc/15/40/92/141154092.db2.gz ZAVVKIWIVPCWQA-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1F ZINC000318920833 154159548 /nfs/dbraw/zinc/15/95/48/154159548.db2.gz VBLFDQQHPDHHKK-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)[O-])c1 ZINC000072077945 307379005 /nfs/dbraw/zinc/37/90/05/307379005.db2.gz YUVPWAMTMHGODP-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL O=c1cc(C=Cc2ccc([O-])c(Cl)c2)nc(-c2ccncc2)[n-]1 ZINC000436932625 309781799 /nfs/dbraw/zinc/78/17/99/309781799.db2.gz OOKDUCNZQMTATA-HNQUOIGGSA-N -2 3 325.755 3.361 20 0 EGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000457289718 310446213 /nfs/dbraw/zinc/44/62/13/310446213.db2.gz IZCIDMZSOWWZBI-UHFFFAOYSA-N -2 3 337.326 3.024 20 0 EGADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]nc(C(F)F)s1 ZINC000436853343 458393606 /nfs/dbraw/zinc/39/36/06/458393606.db2.gz COMSHXSLJIOBQF-UHFFFAOYSA-N -2 3 327.356 3.287 20 0 EGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000055311320 453975262 /nfs/dbraw/zinc/97/52/62/453975262.db2.gz RMHWGMAEKXZKMV-UHFFFAOYSA-N -2 3 329.761 3.049 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000065844571 454631103 /nfs/dbraw/zinc/63/11/03/454631103.db2.gz JFMWCLHDEKXRQQ-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1cc(Cl)cc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1[O-] ZINC000179805283 455081817 /nfs/dbraw/zinc/08/18/17/455081817.db2.gz SRQSVZJRNYGMSV-UHFFFAOYSA-N -2 3 349.818 3.296 20 0 EGADHL CCc1ccc([O-])c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000361903345 457945335 /nfs/dbraw/zinc/94/53/35/457945335.db2.gz VMEITFDRSKVKKS-UHFFFAOYSA-N -2 3 335.363 3.161 20 0 EGADHL CCc1ccc([O-])c(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000361903345 457945338 /nfs/dbraw/zinc/94/53/38/457945338.db2.gz VMEITFDRSKVKKS-UHFFFAOYSA-N -2 3 335.363 3.161 20 0 EGADHL Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc([O-])cc3F)[nH][n-]2)c1 ZINC000444804299 457980994 /nfs/dbraw/zinc/98/09/94/457980994.db2.gz HPJHTZRSWYUJBA-UHFFFAOYSA-N -2 3 329.306 3.043 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2CC)cc1 ZINC000530888127 458840496 /nfs/dbraw/zinc/84/04/96/458840496.db2.gz WPCUPKDKSXXDOB-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCC2CCCCC2)c1 ZINC000560480166 459355788 /nfs/dbraw/zinc/35/57/88/459355788.db2.gz SDGKFFCVNCUROI-UHFFFAOYSA-N -2 3 329.393 3.236 20 0 EGADHL O=C([O-])CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCC1 ZINC000655589263 461322976 /nfs/dbraw/zinc/32/29/76/461322976.db2.gz YPWPKBIDJHEHRA-UHFFFAOYSA-N -2 3 339.391 3.062 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000738655469 575024559 /nfs/dbraw/zinc/02/45/59/575024559.db2.gz XPBJXFCAEYXQID-UHFFFAOYSA-N -2 3 338.360 3.333 20 0 EGADHL COc1cc(C)cc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1[O-] ZINC000737867144 575228136 /nfs/dbraw/zinc/22/81/36/575228136.db2.gz IHNPTVKQDYTDOE-UHFFFAOYSA-N -2 3 330.340 3.076 20 0 EGADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000736973139 576067892 /nfs/dbraw/zinc/06/78/92/576067892.db2.gz IODKBUYCCFIMJO-GFCCVEGCSA-N -2 3 329.418 3.005 20 0 EGADHL CCCCC1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736984041 576070708 /nfs/dbraw/zinc/07/07/08/576070708.db2.gz FCMXNTCBKCEGTR-UHFFFAOYSA-N -2 3 329.418 3.005 20 0 EGADHL O=C([O-])c1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)o1 ZINC000740125935 576552275 /nfs/dbraw/zinc/55/22/75/576552275.db2.gz WXZLTRWMDIBDOQ-UHFFFAOYSA-N -2 3 329.686 3.039 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000325552238 599852933 /nfs/dbraw/zinc/85/29/33/599852933.db2.gz VJCMYHQLTSZLRM-UHFFFAOYSA-N -2 3 347.436 3.430 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)cc1C(=O)[O-] ZINC000833029005 601223724 /nfs/dbraw/zinc/22/37/24/601223724.db2.gz WKVRSWUBQJMBIM-OAHLLOKOSA-N -2 3 349.408 3.106 20 0 EGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCCCCCC2)c1F ZINC000319774721 601227749 /nfs/dbraw/zinc/22/77/49/601227749.db2.gz FQSQWMLLWHNHJN-UHFFFAOYSA-N -2 3 347.383 3.054 20 0 EGADHL CCc1cccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1[O-] ZINC000830260157 601290573 /nfs/dbraw/zinc/29/05/73/601290573.db2.gz UTYOVIBGIVLAQE-ZDUSSCGKSA-N -2 3 325.364 3.173 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000833749800 605169194 /nfs/dbraw/zinc/16/91/94/605169194.db2.gz VWMBTELRNDNRSU-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccc(F)c(Cl)c1F ZINC000193548534 1295885120 /nfs/dbraw/zinc/88/51/20/1295885120.db2.gz KMFUECGDLKQBBD-UHFFFAOYSA-N -2 3 334.713 3.318 20 0 EGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000871665453 1296472084 /nfs/dbraw/zinc/47/20/84/1296472084.db2.gz MIOZMWSKUKMDAK-VURMDHGXSA-N -2 3 342.395 3.385 20 0 EGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000321854807 1297184449 /nfs/dbraw/zinc/18/44/49/1297184449.db2.gz WQTQGHGPQVJAEQ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc2c(cc1[O-])OCO2 ZINC000765861466 1302342661 /nfs/dbraw/zinc/34/26/61/1302342661.db2.gz FNAGITQTMVLPKS-UHFFFAOYSA-N -2 3 342.134 3.386 20 0 EGADHL O=C([O-])CCC(=O)Nc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001213187314 1372856207 /nfs/dbraw/zinc/85/62/07/1372856207.db2.gz JBTOUBGXEIFEIA-UHFFFAOYSA-N -2 3 336.294 3.217 20 0 EGADHL O=C([O-])c1cc(Nc2cccc([O-])c2Br)cnc1F ZINC001215117778 1373172823 /nfs/dbraw/zinc/17/28/23/1373172823.db2.gz KGJPYPRQYVOLFL-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL O=C([O-])Cc1ccc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001216677058 1373330524 /nfs/dbraw/zinc/33/05/24/1373330524.db2.gz PVODSBLSEQTBHA-UHFFFAOYSA-N -2 3 341.136 3.060 20 0 EGADHL COc1ccccc1[C@H](OCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001225018760 1375089201 /nfs/dbraw/zinc/08/92/01/1375089201.db2.gz HGEYUUCXFBBKOF-LBPRGKRZSA-N -2 3 342.250 3.273 20 0 EGADHL COC(=O)c1nc2nc(-c3ccc(C(=O)[O-])c(C)c3Cl)ccc2[n-]1 ZINC001236129266 1376935084 /nfs/dbraw/zinc/93/50/84/1376935084.db2.gz PZUYALBDBZUFEZ-UHFFFAOYSA-N -2 3 345.742 3.023 20 0 EGADHL COc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2[S-])c1 ZINC001259189646 1377121633 /nfs/dbraw/zinc/12/16/33/1377121633.db2.gz USMQDFCDSABLQZ-UHFFFAOYSA-N -2 3 329.830 3.438 20 0 EGADHL O=C([O-])c1ccc(Nc2ncc(Br)cc2[O-])cc1F ZINC001175155460 1385206762 /nfs/dbraw/zinc/20/67/62/1385206762.db2.gz SFMSTHRYZVFOBM-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC001594727810 957022169 /nfs/dbraw/zinc/02/21/69/957022169.db2.gz VNIJHEPVLWGXCD-SWLSCSKDSA-N -2 3 331.755 3.089 20 0 EGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000231810697 960206421 /nfs/dbraw/zinc/20/64/21/960206421.db2.gz PRACUKUPRNTWGA-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)c1 ZINC000793348889 978802999 /nfs/dbraw/zinc/80/29/99/978802999.db2.gz FKCSTZIPHRGSGN-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC[C@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001595158996 979670976 /nfs/dbraw/zinc/67/09/76/979670976.db2.gz FVWZDRJAWZOJIS-GFCCVEGCSA-N -2 3 329.352 3.025 20 0 EGADHL C[C@@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC000909535029 981534951 /nfs/dbraw/zinc/53/49/51/981534951.db2.gz VRGIXRDAPWLTPR-FZKQIMNGSA-N -2 3 337.391 3.004 20 0 EGADHL CC[C@](C)([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001594836536 982039379 /nfs/dbraw/zinc/03/93/79/982039379.db2.gz ZAADZZOTHVPSDB-LBPRGKRZSA-N -2 3 340.153 3.455 20 0 EGADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001589641569 987564541 /nfs/dbraw/zinc/56/45/41/987564541.db2.gz YIWTXPAIXOCGPD-UHFFFAOYSA-N -2 3 341.289 3.043 20 0 EGADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001589641569 987564545 /nfs/dbraw/zinc/56/45/45/987564545.db2.gz YIWTXPAIXOCGPD-UHFFFAOYSA-N -2 3 341.289 3.043 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c1 ZINC001597556134 988286218 /nfs/dbraw/zinc/28/62/18/988286218.db2.gz HPZXYZKNHMZEDP-SNVBAGLBSA-N -2 3 347.342 3.198 20 0 EGADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000013341472 207375582 /nfs/dbraw/zinc/37/55/82/207375582.db2.gz VZDQYTBIDRYLID-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1F ZINC000318903623 154159774 /nfs/dbraw/zinc/15/97/74/154159774.db2.gz RBTXVZNQMJVMHD-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000326363437 308770716 /nfs/dbraw/zinc/77/07/16/308770716.db2.gz CRKFJFXOCHWYLR-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000433599497 309692286 /nfs/dbraw/zinc/69/22/86/309692286.db2.gz MLVPJWRMOYZCRL-UHFFFAOYSA-N -2 3 347.392 3.087 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1C ZINC000512730161 312193571 /nfs/dbraw/zinc/19/35/71/312193571.db2.gz PYUHESBJLYGOML-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000517566649 312383892 /nfs/dbraw/zinc/38/38/92/312383892.db2.gz MXEPDTSSBUHZGD-UHFFFAOYSA-N -2 3 337.422 3.049 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(Cl)c1 ZINC000024433491 453733894 /nfs/dbraw/zinc/73/38/94/453733894.db2.gz RUGKDLPPEMZMTE-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1C ZINC000066588188 453853475 /nfs/dbraw/zinc/85/34/75/453853475.db2.gz XZBUVHASCVUORV-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000058518953 454211427 /nfs/dbraw/zinc/21/14/27/454211427.db2.gz CVINMJYNXKNPKL-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(F)c1 ZINC000078902629 454335193 /nfs/dbraw/zinc/33/51/93/454335193.db2.gz RWGNUNCKLDXHKG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000172605549 455164513 /nfs/dbraw/zinc/16/45/13/455164513.db2.gz HXTXOKFFZRIULA-UHFFFAOYSA-N -2 3 347.436 3.466 20 0 EGADHL CCCC[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000263432386 456150141 /nfs/dbraw/zinc/15/01/41/456150141.db2.gz NSYSWADNNLWIJP-VIFPVBQESA-N -2 3 341.820 3.165 20 0 EGADHL O=C([N-]c1nnc(-c2ccccc2)s1)c1c(F)ccc([O-])c1F ZINC000347955230 456428070 /nfs/dbraw/zinc/42/80/70/456428070.db2.gz LPJKOZVAPVJBJN-UHFFFAOYSA-N -2 3 333.319 3.441 20 0 EGADHL CSc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000337759093 456528712 /nfs/dbraw/zinc/52/87/12/456528712.db2.gz NSQQZZPUYMLIQW-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000323757570 456655597 /nfs/dbraw/zinc/65/55/97/456655597.db2.gz FZKZJNPYTNDVAH-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(F)c1 ZINC000325094426 456678359 /nfs/dbraw/zinc/67/83/59/456678359.db2.gz NVKVMFDRLRTQCQ-UHFFFAOYSA-N -2 3 345.351 3.478 20 0 EGADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC000326927004 456702392 /nfs/dbraw/zinc/70/23/92/456702392.db2.gz VVLANNLSXUCIBK-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1C(=O)[O-] ZINC000358567128 458080716 /nfs/dbraw/zinc/08/07/16/458080716.db2.gz NVSQLRCTFHQJFM-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436714642 458365969 /nfs/dbraw/zinc/36/59/69/458365969.db2.gz JAEXGFRIQOLFIZ-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC000436800666 458383210 /nfs/dbraw/zinc/38/32/10/458383210.db2.gz MLYROGPXUYVVIX-UHFFFAOYSA-N -2 3 345.305 3.122 20 0 EGADHL COc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc(OC)c1[O-] ZINC000439274168 458682136 /nfs/dbraw/zinc/68/21/36/458682136.db2.gz NCTBFIPNMIZWLF-ZZXKWVIFSA-N -2 3 341.319 3.419 20 0 EGADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000548264393 458856601 /nfs/dbraw/zinc/85/66/01/458856601.db2.gz KXACWWCEMZMPMH-UHFFFAOYSA-N -2 3 343.445 3.352 20 0 EGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000526060236 459542335 /nfs/dbraw/zinc/54/23/35/459542335.db2.gz PKYMCARSTBAUIG-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL CCOc1cc(CN2CCC[C@H](CC(=O)[O-])C2)cc(Cl)c1[O-] ZINC000573902018 459753886 /nfs/dbraw/zinc/75/38/86/459753886.db2.gz PKAUYQJDWXHOSM-LLVKDONJSA-N -2 3 327.808 3.131 20 0 EGADHL O=C([O-])c1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000666573609 461700281 /nfs/dbraw/zinc/70/02/81/461700281.db2.gz ZOOMZPZOPASMRT-UHFFFAOYSA-N -2 3 339.391 3.185 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)c1 ZINC000656625228 461809794 /nfs/dbraw/zinc/80/97/94/461809794.db2.gz YZCRMRMYCUHOTI-KRWDZBQOSA-N -2 3 341.473 3.292 20 0 EGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)C1CCCCC1 ZINC000656632678 461813883 /nfs/dbraw/zinc/81/38/83/461813883.db2.gz YPZQOQZKPDNHKM-HNNXBMFYSA-N -2 3 349.399 3.007 20 0 EGADHL COc1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c([O-])c1 ZINC000350826209 547668938 /nfs/dbraw/zinc/66/89/38/547668938.db2.gz CAUSAPXMFVOSPC-UHFFFAOYSA-N -2 3 341.816 3.039 20 0 EGADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3cncc([O-])c3)nc(=O)c2c1C ZINC000732392524 575263113 /nfs/dbraw/zinc/26/31/13/575263113.db2.gz XSCDYHFCGWLLPR-MRVPVSSYSA-N -2 3 345.380 3.032 20 0 EGADHL CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736975704 576069013 /nfs/dbraw/zinc/06/90/13/576069013.db2.gz VCCFKFVHPJTGRG-CMPLNLGQSA-N -2 3 331.459 3.084 20 0 EGADHL CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736983669 576070321 /nfs/dbraw/zinc/07/03/21/576070321.db2.gz BPXRHALCKUUXGI-PWSUYJOCSA-N -2 3 331.459 3.084 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000322905445 599852896 /nfs/dbraw/zinc/85/28/96/599852896.db2.gz IDDLOWLMVCFHLQ-UHFFFAOYSA-N -2 3 333.409 3.067 20 0 EGADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000828012842 602053250 /nfs/dbraw/zinc/05/32/50/602053250.db2.gz UHJLUYAOJOTFEU-LJQANCHMSA-N -2 3 341.363 3.121 20 0 EGADHL CN(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000909002159 1318424973 /nfs/dbraw/zinc/42/49/73/1318424973.db2.gz QBITXPHIJWRIRC-SFHVURJKSA-N -2 3 345.370 3.138 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)cc1C(=O)[O-] ZINC001184698825 1387512795 /nfs/dbraw/zinc/51/27/95/1387512795.db2.gz HSWVHCFYAGDYKV-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL O=S(=O)(CC1CCCC1)[N-]c1cc(Br)ccc1[O-] ZINC001191522389 1367520484 /nfs/dbraw/zinc/52/04/84/1367520484.db2.gz CIIAGFWCGCXLED-UHFFFAOYSA-N -2 3 334.235 3.087 20 0 EGADHL COc1ccnc(C(=O)Nc2cc(Cl)c(C)c(Cl)c2[O-])c1[O-] ZINC001193532523 1368055603 /nfs/dbraw/zinc/05/56/03/1368055603.db2.gz YHDKHAXARAQVME-UHFFFAOYSA-N -2 3 343.166 3.369 20 0 EGADHL CC(C)c1ccc(Cl)c(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001193861506 1368132433 /nfs/dbraw/zinc/13/24/33/1368132433.db2.gz BCMAROFZRXERBX-UHFFFAOYSA-N -2 3 333.752 3.151 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c(F)c1 ZINC001196380039 1368601790 /nfs/dbraw/zinc/60/17/90/1368601790.db2.gz JVMZQOQSSHHVPM-UHFFFAOYSA-N -2 3 333.743 3.433 20 0 EGADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198772459 1369109678 /nfs/dbraw/zinc/10/96/78/1369109678.db2.gz LMYRYALSXWUKEB-UHFFFAOYSA-N -2 3 349.408 3.365 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cc(Cl)cc(Cl)c1 ZINC001187168567 1388062765 /nfs/dbraw/zinc/06/27/65/1388062765.db2.gz UFVWETVLTKEFHN-UHFFFAOYSA-N -2 3 341.131 3.073 20 0 EGADHL O=C([O-])c1cc(F)c(Nc2ncc(Br)cc2[O-])c(F)c1 ZINC001215609055 1373216528 /nfs/dbraw/zinc/21/65/28/1373216528.db2.gz OHLRZKAIMRKNRN-UHFFFAOYSA-N -2 3 345.099 3.270 20 0 EGADHL O=P([O-])([O-])C1(Nc2cc(F)ccc2[S-])Cc2ccccc2C1 ZINC001167940543 1383774449 /nfs/dbraw/zinc/77/44/49/1383774449.db2.gz YVQJXEHBLOUSBE-UHFFFAOYSA-N -3 3 339.328 3.199 20 0 EGADHL CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000324518857 971127939 /nfs/dbraw/zinc/12/79/39/971127939.db2.gz VWFAZBKDDIXZOU-UHFFFAOYSA-N -2 3 349.399 3.014 20 0 EGADHL CC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001573942394 961615371 /nfs/dbraw/zinc/61/53/71/961615371.db2.gz HKOGQURVZIILOF-VIFPVBQESA-N -2 3 326.126 3.065 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)c(C)s1 ZINC000320269000 970641473 /nfs/dbraw/zinc/64/14/73/970641473.db2.gz YFBZESCKXYZUIP-UHFFFAOYSA-N -2 3 347.364 3.142 20 0 EGADHL O=C([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1 ZINC000917268759 982680241 /nfs/dbraw/zinc/68/02/41/982680241.db2.gz VRJBSSDSVXRVGQ-UHFFFAOYSA-N -2 3 334.253 3.307 20 0 EGADHL CCc1cccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c1[O-] ZINC001597576573 988367250 /nfs/dbraw/zinc/36/72/50/988367250.db2.gz PZEWCKVGRKLRNE-UHFFFAOYSA-N -2 3 346.408 3.169 20 0 EGADHL COc1c(NC(=O)c2cc3c(cc2[O-])CCCC3)cccc1C(=O)[O-] ZINC001599343165 997955575 /nfs/dbraw/zinc/95/55/75/997955575.db2.gz SMMKTTHMRXXVOD-UHFFFAOYSA-N -2 3 341.363 3.230 20 0 EGADHL C[C@@H]1C[C@H](C(=O)[O-])CN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001594209549 998811001 /nfs/dbraw/zinc/81/10/01/998811001.db2.gz DEANTSNXAOWGCM-ZDMBXUJBSA-N -2 3 346.210 3.162 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000319019106 154161966 /nfs/dbraw/zinc/16/19/66/154161966.db2.gz QOAJCPCPZZNRJJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1C(=O)[O-] ZINC000320061480 154163257 /nfs/dbraw/zinc/16/32/57/154163257.db2.gz WASSDLJKHYLVKN-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1F ZINC000336861786 154219503 /nfs/dbraw/zinc/21/95/03/154219503.db2.gz ASIUWLODTUTHCR-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CCCCOc1ccccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349114043 156357538 /nfs/dbraw/zinc/35/75/38/156357538.db2.gz TWWURWHKGIQEAC-KTKRTIGZSA-N -2 3 342.395 3.467 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1c[n-]c2ccccc2c1=O ZINC000345592187 164222449 /nfs/dbraw/zinc/22/24/49/164222449.db2.gz RQBYCGYILCEZSR-UHFFFAOYSA-N -2 3 332.718 3.279 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cnc2ccccc2c1[O-] ZINC000345592187 164222450 /nfs/dbraw/zinc/22/24/50/164222450.db2.gz RQBYCGYILCEZSR-UHFFFAOYSA-N -2 3 332.718 3.279 20 0 EGADHL CCC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000360549958 167355293 /nfs/dbraw/zinc/35/52/93/167355293.db2.gz HHPXGSVYYVVGLL-SNVBAGLBSA-N -2 3 347.845 3.086 20 0 EGADHL Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000237843588 266246783 /nfs/dbraw/zinc/24/67/83/266246783.db2.gz IFPUYMRAWGRZKS-UHFFFAOYSA-N -2 3 349.333 3.096 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000323310694 308768588 /nfs/dbraw/zinc/76/85/88/308768588.db2.gz PUJAYEHYWYNQEG-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000436923666 309781137 /nfs/dbraw/zinc/78/11/37/309781137.db2.gz DIODNCJWZVZTSM-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL CCc1cccc(F)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443438877 309901099 /nfs/dbraw/zinc/90/10/99/309901099.db2.gz APOSZHZPODIMJO-CLFYSBASSA-N -2 3 330.359 3.380 20 0 EGADHL CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547933194 314951537 /nfs/dbraw/zinc/95/15/37/314951537.db2.gz HUNBCCAGMYQSIE-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000000258703 452547886 /nfs/dbraw/zinc/54/78/86/452547886.db2.gz GJBCBLJUQJMRHA-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000013265510 453456164 /nfs/dbraw/zinc/45/61/64/453456164.db2.gz WCPRVKFIFAJWGZ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)c(Cl)[n-]2)c2ccccc21 ZINC000131991898 454304905 /nfs/dbraw/zinc/30/49/05/454304905.db2.gz YCYIBOLRGOIIOJ-QMMMGPOBSA-N -2 3 325.151 3.150 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000161702419 454715129 /nfs/dbraw/zinc/71/51/29/454715129.db2.gz NSIUXUDITGDOSH-UHFFFAOYSA-N -2 3 348.424 3.104 20 0 EGADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1C ZINC000325739046 456686856 /nfs/dbraw/zinc/68/68/56/456686856.db2.gz WYOSPQDYZPPQAC-UHFFFAOYSA-N -2 3 347.436 3.348 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000436643799 458351518 /nfs/dbraw/zinc/35/15/18/458351518.db2.gz GJVAPSQPVOSWQS-UHFFFAOYSA-N -2 3 336.351 3.022 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471132717 458678883 /nfs/dbraw/zinc/67/88/83/458678883.db2.gz GIUQQJURBZSZNG-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548268802 458856101 /nfs/dbraw/zinc/85/61/01/458856101.db2.gz XHXZWORVZBGUKX-MRVPVSSYSA-N -2 3 347.845 3.086 20 0 EGADHL O=C(N=c1ccc([O-])n[n-]1)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000475827350 458967649 /nfs/dbraw/zinc/96/76/49/458967649.db2.gz FNOOGWNXCLDOBJ-UHFFFAOYSA-N -2 3 349.268 3.135 20 0 EGADHL O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000653361923 461645241 /nfs/dbraw/zinc/64/52/41/461645241.db2.gz BOHTXUHAHDFVHN-UHFFFAOYSA-N -2 3 339.391 3.185 20 0 EGADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000647923591 461888485 /nfs/dbraw/zinc/88/84/85/461888485.db2.gz PDFPJPWKQUFDBS-QWHCGFSZSA-N -2 3 333.837 3.053 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc(C(=O)[O-])c1 ZINC000507585828 548009619 /nfs/dbraw/zinc/00/96/19/548009619.db2.gz UUNKKGDLTYEIIS-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000740146810 576554690 /nfs/dbraw/zinc/55/46/90/576554690.db2.gz VTECXSHABDIYGY-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cc(-c2cccs2)[n-]n1)c1ccc(F)cc1 ZINC000740290990 576574696 /nfs/dbraw/zinc/57/46/96/576574696.db2.gz KXYWPTWVQQGCJH-CQSZACIVSA-N -2 3 346.339 3.260 20 0 EGADHL O=C([O-])[C@H](OC(=O)c1cc(-c2cccs2)n[n-]1)c1ccc(F)cc1 ZINC000740290990 576574699 /nfs/dbraw/zinc/57/46/99/576574699.db2.gz KXYWPTWVQQGCJH-CQSZACIVSA-N -2 3 346.339 3.260 20 0 EGADHL O=C([O-])[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000833350808 600667235 /nfs/dbraw/zinc/66/72/35/600667235.db2.gz LVBLOJZWVBZPND-LBPRGKRZSA-N -2 3 342.134 3.077 20 0 EGADHL Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000833033127 601721371 /nfs/dbraw/zinc/72/13/71/601721371.db2.gz PYYFHDBNYVVPSQ-UHFFFAOYSA-N -2 3 332.337 3.095 20 0 EGADHL Cc1sc(C(=O)[O-])cc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000833033127 601721372 /nfs/dbraw/zinc/72/13/72/601721372.db2.gz PYYFHDBNYVVPSQ-UHFFFAOYSA-N -2 3 332.337 3.095 20 0 EGADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000133108792 1293736873 /nfs/dbraw/zinc/73/68/73/1293736873.db2.gz NZUMZZFMPAUYRG-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CC(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761234468 1301426139 /nfs/dbraw/zinc/42/61/39/1301426139.db2.gz KPBRBCUMIFVWLX-UHFFFAOYSA-N -2 3 340.228 3.016 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1nnc2ccccc2c1[O-] ZINC000805258704 1317333485 /nfs/dbraw/zinc/33/34/85/1317333485.db2.gz LDWIMOVSRDCSHY-UHFFFAOYSA-N -2 3 333.706 3.086 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cc(F)cc(F)c1F ZINC001190391143 1367250154 /nfs/dbraw/zinc/25/01/54/1367250154.db2.gz QZZLYDPSUXDIQL-UHFFFAOYSA-N -2 3 337.706 3.264 20 0 EGADHL Cc1nc(C=Cc2cccc(OC(C)(C)C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000865224621 1329677491 /nfs/dbraw/zinc/67/74/91/1329677491.db2.gz TWICXKCXCPDQPC-HJWRWDBZSA-N -2 3 342.395 3.465 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(F)c(C)c1 ZINC001185909311 1387826198 /nfs/dbraw/zinc/82/61/98/1387826198.db2.gz QQMXWSMQAPZSJY-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC(C)c1cccc(C(C)C)c1NC(=O)NCCP(=O)([O-])[O-] ZINC001191653604 1367554119 /nfs/dbraw/zinc/55/41/19/1367554119.db2.gz TZXQNUNKJSIUAG-UHFFFAOYSA-N -2 3 328.349 3.233 20 0 EGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198730252 1369101069 /nfs/dbraw/zinc/10/10/69/1369101069.db2.gz JKGVINLUAZIJEW-UHFFFAOYSA-N -2 3 348.424 3.032 20 0 EGADHL Cc1c(C(=O)[O-])ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1Cl ZINC001236129837 1376934532 /nfs/dbraw/zinc/93/45/32/1376934532.db2.gz UWVUNGRIOHFAEZ-UHFFFAOYSA-N -2 3 332.722 3.333 20 0 EGADHL Cc1c(C(=O)[O-])ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1Cl ZINC001236129837 1376934538 /nfs/dbraw/zinc/93/45/38/1376934538.db2.gz UWVUNGRIOHFAEZ-UHFFFAOYSA-N -2 3 332.722 3.333 20 0 EGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001189236102 1388491157 /nfs/dbraw/zinc/49/11/57/1388491157.db2.gz VCJFKSCMDLCZKY-UHFFFAOYSA-N -2 3 325.773 3.049 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000323408609 971001504 /nfs/dbraw/zinc/00/15/04/971001504.db2.gz PIMARNYZAFCCFW-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C([O-])c1c(F)cccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000325105188 971185419 /nfs/dbraw/zinc/18/54/19/971185419.db2.gz WAAAJZKADNKXLN-UHFFFAOYSA-N -2 3 326.283 3.030 20 0 EGADHL CC(C)c1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001603100530 972176361 /nfs/dbraw/zinc/17/63/61/972176361.db2.gz PBXRBZVVYBEONH-HXUWFJFHSA-N -2 3 341.407 3.288 20 0 EGADHL Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c([O-])c1 ZINC001123296740 960452138 /nfs/dbraw/zinc/45/21/38/960452138.db2.gz JSLRODWOVSSFEK-OAHLLOKOSA-N -2 3 342.395 3.105 20 0 EGADHL O=C([O-])C1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCCCC1 ZINC001605675900 974085847 /nfs/dbraw/zinc/08/58/47/974085847.db2.gz BTNVOYCKYWLHBN-UHFFFAOYSA-N -2 3 337.391 3.148 20 0 EGADHL CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001597021853 986414450 /nfs/dbraw/zinc/41/44/50/986414450.db2.gz DFICORQJEFMODW-UHFFFAOYSA-N -2 3 329.352 3.304 20 0 EGADHL CC(C)(CC(=O)[O-])CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001590636813 990326010 /nfs/dbraw/zinc/32/60/10/990326010.db2.gz QMBZVJOTGHEBAT-UHFFFAOYSA-N -2 3 342.355 3.047 20 0 EGADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000336867970 154222527 /nfs/dbraw/zinc/22/25/27/154222527.db2.gz UTANOBMPTLKJFC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1nc(C=Cc2ccccc2OCC(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000453024021 310253293 /nfs/dbraw/zinc/25/32/93/310253293.db2.gz JQQLLFATWDKWJG-CMDGGOBGSA-N -2 3 342.395 3.323 20 0 EGADHL O=C(Nc1c([O-])cccc1Cl)c1nn(-c2ccccc2F)cc1[O-] ZINC000557183224 315501415 /nfs/dbraw/zinc/50/14/15/315501415.db2.gz AQXJOJZIJNKFCL-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000580872146 325303319 /nfs/dbraw/zinc/30/33/19/325303319.db2.gz KNRZMTQHGKTUFV-ZDUSSCGKSA-N -2 3 345.436 3.084 20 0 EGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000182860907 455178739 /nfs/dbraw/zinc/17/87/39/455178739.db2.gz WFUYBFHJPWVDMZ-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000341315811 456843604 /nfs/dbraw/zinc/84/36/04/456843604.db2.gz BYDUFSIVPLHNLN-UHFFFAOYSA-N -2 3 349.408 3.031 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000352433112 457364421 /nfs/dbraw/zinc/36/44/21/457364421.db2.gz WZBYKRKIGBVWNC-UHFFFAOYSA-N -2 3 345.298 3.262 20 0 EGADHL [O-]c1ccc(F)c(CN=c2[n-]nc(CCCc3ccccc3)o2)c1F ZINC000357710366 457665227 /nfs/dbraw/zinc/66/52/27/457665227.db2.gz OQKWTJGXNFIOHW-UHFFFAOYSA-N -2 3 345.349 3.263 20 0 EGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471126286 458678975 /nfs/dbraw/zinc/67/89/75/458678975.db2.gz XFSYNMVUNVFVPB-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000582399297 459357961 /nfs/dbraw/zinc/35/79/61/459357961.db2.gz OJAHERKUUNBJOT-ZDUSSCGKSA-N -2 3 345.436 3.084 20 0 EGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000654776036 462379546 /nfs/dbraw/zinc/37/95/46/462379546.db2.gz AHVNPPKLKQQDOQ-LBPRGKRZSA-N -2 3 333.475 3.006 20 0 EGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000740147030 576554783 /nfs/dbraw/zinc/55/47/83/576554783.db2.gz YCBKBDSCLAUFJL-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c([O-])c1C ZINC000832911981 600763612 /nfs/dbraw/zinc/76/36/12/600763612.db2.gz CVVCYGFAGNMARX-CYBMUJFWSA-N -2 3 325.364 3.228 20 0 EGADHL CC(C)N(CCC(=O)[O-])C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000833497193 604711580 /nfs/dbraw/zinc/71/15/80/604711580.db2.gz UIAHADXETYTAME-UHFFFAOYSA-N -2 3 341.407 3.308 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)n2)c(Cl)c1[O-] ZINC001198232495 1368985211 /nfs/dbraw/zinc/98/52/11/1368985211.db2.gz BFUIIEYMTHWBDX-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc(C)c1C ZINC001184696268 1387512090 /nfs/dbraw/zinc/51/20/90/1387512090.db2.gz FURPKRRMQKIPRU-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1c([O-])ccc(F)c1F ZINC001192764737 1367869595 /nfs/dbraw/zinc/86/95/95/1367869595.db2.gz NSZYVIIKDAYCFF-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL COc1ccc(Nc2ncc(Br)cc2[O-])cc1C(=O)[O-] ZINC001209897156 1372226717 /nfs/dbraw/zinc/22/67/17/1372226717.db2.gz TYWAMVJQXMGUCM-UHFFFAOYSA-N -2 3 339.145 3.000 20 0 EGADHL Cc1cc(C)c(Nc2cc(F)c([O-])c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001213384276 1372897966 /nfs/dbraw/zinc/89/79/66/1372897966.db2.gz BUMYHITZJYAMEM-UHFFFAOYSA-N -2 3 329.324 3.278 20 0 EGADHL CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c([O-])c2F)c1 ZINC001214799313 1373121279 /nfs/dbraw/zinc/12/12/79/1373121279.db2.gz QWKPXMPMHRAAOV-UHFFFAOYSA-N -2 3 345.779 3.428 20 0 EGADHL COc1ccccc1[C@@H](OCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001225018759 1375089669 /nfs/dbraw/zinc/08/96/69/1375089669.db2.gz HGEYUUCXFBBKOF-GFCCVEGCSA-N -2 3 342.250 3.273 20 0 EGADHL O=C([O-])Cc1c[nH]c2cc(Cl)c(NCc3ncccc3[O-])cc12 ZINC001169738076 1384180910 /nfs/dbraw/zinc/18/09/10/1384180910.db2.gz ZLJDOKNNYIBAON-UHFFFAOYSA-N -2 3 331.759 3.161 20 0 EGADHL CC1(C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCC1 ZINC000824783951 1443763927 /nfs/dbraw/zinc/76/39/27/1443763927.db2.gz LEHPQEOGHAOZAF-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL CC1(C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCC1 ZINC000824783951 1443763930 /nfs/dbraw/zinc/76/39/30/1443763930.db2.gz LEHPQEOGHAOZAF-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000328023433 971442799 /nfs/dbraw/zinc/44/27/99/971442799.db2.gz JNBLTQLYQGVEOF-INIZCTEOSA-N -2 3 342.395 3.094 20 0 EGADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001594788911 953685067 /nfs/dbraw/zinc/68/50/67/953685067.db2.gz KNHHPOWXOKKIAA-ZBFHGGJFSA-N -2 3 341.363 3.168 20 0 EGADHL O=C([O-])[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000833189137 955554450 /nfs/dbraw/zinc/55/44/50/955554450.db2.gz PVFBKVDHDIQSQI-ZDUSSCGKSA-N -2 3 341.363 3.121 20 0 EGADHL O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc([O-])ccc1Cl ZINC000390218358 972270453 /nfs/dbraw/zinc/27/04/53/972270453.db2.gz MUSZPNJBLOZQQH-AWEZNQCLSA-N -2 3 325.792 3.199 20 0 EGADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259224477 960692057 /nfs/dbraw/zinc/69/20/57/960692057.db2.gz JDCZOMNFPMLIQF-MRVPVSSYSA-N -2 3 349.811 3.034 20 0 EGADHL CC[C@H](C)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001573936926 961605189 /nfs/dbraw/zinc/60/51/89/961605189.db2.gz GCNOSOJTGOGROL-SJCJKPOMSA-N -2 3 343.379 3.414 20 0 EGADHL Cc1cccc([O-])c1C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001605345026 973235589 /nfs/dbraw/zinc/23/55/89/973235589.db2.gz NTWIRCHDZPARKN-UHFFFAOYSA-N -2 3 339.391 3.419 20 0 EGADHL CC[C@@H](CNC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001595158997 979670952 /nfs/dbraw/zinc/67/09/52/979670952.db2.gz FVWZDRJAWZOJIS-LBPRGKRZSA-N -2 3 329.352 3.025 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c1 ZINC001597556130 988286357 /nfs/dbraw/zinc/28/63/57/988286357.db2.gz HPZXYZKNHMZEDP-JTQLQIEISA-N -2 3 347.342 3.198 20 0 EGADHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593155654 993969171 /nfs/dbraw/zinc/96/91/71/993969171.db2.gz MVMGJSVWBRFXJF-FZMZJTMJSA-N -2 3 347.798 3.107 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c(F)c1 ZINC000055558052 214329294 /nfs/dbraw/zinc/32/92/94/214329294.db2.gz QGMKKDZIGOIBFZ-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL Cc1nc(C=Cc2cccc3c2OC(C)(C)C3)[n-]c(=O)c1CC(=O)[O-] ZINC000349107455 156354964 /nfs/dbraw/zinc/35/49/64/156354964.db2.gz JXUPGYDHYMZNBY-FPLPWBNLSA-N -2 3 340.379 3.002 20 0 EGADHL Cc1nc(C=Cc2cccc(-c3ccccn3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349113118 156356677 /nfs/dbraw/zinc/35/66/77/156356677.db2.gz QBHQCTMDDZJKGB-HJWRWDBZSA-N -2 3 347.374 3.350 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C1CC1 ZINC000359073743 167059135 /nfs/dbraw/zinc/05/91/35/167059135.db2.gz VXOLRUSCERSORA-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000131516638 307644715 /nfs/dbraw/zinc/64/47/15/307644715.db2.gz DENJWAFIBBEQIZ-UHFFFAOYSA-N -2 3 337.372 3.171 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000320352758 308767294 /nfs/dbraw/zinc/76/72/94/308767294.db2.gz OOYABXUWJSVNGK-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1csc(=NC2CC2)[n-]1 ZINC000426219003 309501837 /nfs/dbraw/zinc/50/18/37/309501837.db2.gz ZIWRFCZSPLEFHN-UHFFFAOYSA-N -2 3 343.330 3.116 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000540506526 314386149 /nfs/dbraw/zinc/38/61/49/314386149.db2.gz KLRGPQMXLYLPQV-UHFFFAOYSA-N -2 3 327.789 3.163 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1Cl ZINC000075081953 453858465 /nfs/dbraw/zinc/85/84/65/453858465.db2.gz MANWGFVQZYMMOF-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000055687768 454006155 /nfs/dbraw/zinc/00/61/55/454006155.db2.gz XPFQSSCSRGHMQR-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000071415428 454206464 /nfs/dbraw/zinc/20/64/64/454206464.db2.gz FGKIPSHOISSYAP-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(F)c2ncccc12 ZINC000127904811 455007987 /nfs/dbraw/zinc/00/79/87/455007987.db2.gz KERQDKNGTGQAPO-UHFFFAOYSA-N -2 3 336.319 3.019 20 0 EGADHL O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(F)c(F)c([O-])c1F ZINC000184594342 455409999 /nfs/dbraw/zinc/40/99/99/455409999.db2.gz VGCXWZKFDVEYMM-UHFFFAOYSA-N -2 3 340.305 3.159 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1 ZINC000323970401 456659288 /nfs/dbraw/zinc/65/92/88/456659288.db2.gz VQMJLZRNSHXTIC-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000323926478 456659337 /nfs/dbraw/zinc/65/93/37/456659337.db2.gz XKBPYTMUOCCHRF-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000339416143 457101278 /nfs/dbraw/zinc/10/12/78/457101278.db2.gz LLMOTEFEYWBCBX-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1SC ZINC000347393692 457398254 /nfs/dbraw/zinc/39/82/54/457398254.db2.gz VJLRDYRLFNYQAO-ALCCZGGFSA-N -2 3 346.408 3.019 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000342773051 457514066 /nfs/dbraw/zinc/51/40/66/457514066.db2.gz BRVUEIFKSPEDFY-UHFFFAOYSA-N -2 3 344.392 3.058 20 0 EGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C ZINC000435732014 458192952 /nfs/dbraw/zinc/19/29/52/458192952.db2.gz NWUDBNZBPXNVHZ-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000438721562 458611648 /nfs/dbraw/zinc/61/16/48/458611648.db2.gz JVFQZPPKFNIHRJ-UHFFFAOYSA-N -2 3 349.408 3.031 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)s1 ZINC000548268542 458856348 /nfs/dbraw/zinc/85/63/48/458856348.db2.gz QYHIRVKDJCHBSS-UHFFFAOYSA-N -2 3 347.364 3.142 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3c(F)ccc([O-])c3F)n[nH]2)cc1 ZINC000566941850 459023727 /nfs/dbraw/zinc/02/37/27/459023727.db2.gz XYDUXYCSLOQKHF-UHFFFAOYSA-N -2 3 330.294 3.016 20 0 EGADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)c1 ZINC000567805541 459170362 /nfs/dbraw/zinc/17/03/62/459170362.db2.gz KEXZFMIBBCGEJV-MRXNPFEDSA-N -2 3 349.408 3.188 20 0 EGADHL COc1ccccc1-c1cc(=NC(=O)c2ccc(C)c(C)c2[O-])[nH][n-]1 ZINC000591449684 459384161 /nfs/dbraw/zinc/38/41/61/459384161.db2.gz SWLURJGKWNCNAD-UHFFFAOYSA-N -2 3 337.379 3.082 20 0 EGADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3F)o2)[n-]c1=O ZINC000670369773 548202034 /nfs/dbraw/zinc/20/20/34/548202034.db2.gz AQXSIUSQNGUNPL-VURMDHGXSA-N -2 3 326.283 3.450 20 0 EGADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC000736973141 576068011 /nfs/dbraw/zinc/06/80/11/576068011.db2.gz IODKBUYCCFIMJO-LBPRGKRZSA-N -2 3 329.418 3.005 20 0 EGADHL O=C([O-])c1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1F ZINC000833098174 601635786 /nfs/dbraw/zinc/63/57/86/601635786.db2.gz JNXFZYFCMQJTAV-UHFFFAOYSA-N -2 3 331.343 3.095 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000794625589 1309558288 /nfs/dbraw/zinc/55/82/88/1309558288.db2.gz YXATXEZXRRCNRI-UHFFFAOYSA-N -2 3 343.383 3.165 20 0 EGADHL O=C(Cc1ccc([S-])cc1)Nc1ncc([O-])cc1Br ZINC001183186504 1387274299 /nfs/dbraw/zinc/27/42/99/1387274299.db2.gz VAUDBJLRFHUNMT-UHFFFAOYSA-N -2 3 339.214 3.020 20 0 EGADHL CC(C)(CC(=O)NCCCCP(=O)([O-])[O-])c1ccccc1Cl ZINC001183891523 1387368342 /nfs/dbraw/zinc/36/83/42/1387368342.db2.gz YQDXPLVXZKJYJD-UHFFFAOYSA-N -2 3 347.779 3.082 20 0 EGADHL NC(=O)c1ccc(Nc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1[O-] ZINC001214517133 1373072352 /nfs/dbraw/zinc/07/23/52/1373072352.db2.gz SSTNMOJOOWJWNY-UHFFFAOYSA-N -2 3 341.150 3.240 20 0 EGADHL O=P([O-])([O-])CCCCO[C@H](c1ccccc1)C1CCOCC1 ZINC001225019235 1375089536 /nfs/dbraw/zinc/08/95/36/1375089536.db2.gz VCPWKBVLFRHTNZ-MRXNPFEDSA-N -2 3 328.345 3.129 20 0 EGADHL C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cc(-c2ccccc2)no1 ZINC001226782639 1375332871 /nfs/dbraw/zinc/33/28/71/1375332871.db2.gz SGZXARAAEDEVRX-SECBINFHSA-N -2 3 339.380 3.437 20 0 EGADHL O=C(C=C1CCC1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822917779 1423732625 /nfs/dbraw/zinc/73/26/25/1423732625.db2.gz WWAWYZWQFLPWHK-UHFFFAOYSA-N -2 3 338.396 3.039 20 0 EGADHL O=C(C=C1CCC1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822917779 1423732627 /nfs/dbraw/zinc/73/26/27/1423732627.db2.gz WWAWYZWQFLPWHK-UHFFFAOYSA-N -2 3 338.396 3.039 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1C ZINC000326552864 971302376 /nfs/dbraw/zinc/30/23/76/971302376.db2.gz WWNNCLXRHZMCSX-WDZFZDKYSA-N -2 3 345.420 3.456 20 0 EGADHL O=C([O-])c1ccccc1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001605808479 972524662 /nfs/dbraw/zinc/52/46/62/972524662.db2.gz HTPWGPGJQRVECB-UHFFFAOYSA-N -2 3 327.361 3.235 20 0 EGADHL CC(C)C[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588886357 962176007 /nfs/dbraw/zinc/17/60/07/962176007.db2.gz LVXMETAVYORHFN-MRXNPFEDSA-N -2 3 343.379 3.414 20 0 EGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000314172961 963720938 /nfs/dbraw/zinc/72/09/38/963720938.db2.gz IJTMJPKOWZBBBV-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL Cc1cccc2c(=O)c(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)c[n-]c12 ZINC001605212429 972954944 /nfs/dbraw/zinc/95/49/44/972954944.db2.gz YIVKEKVXQDTQBI-UHFFFAOYSA-N -2 3 336.347 3.095 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c([O-])c1 ZINC001591942708 976472906 /nfs/dbraw/zinc/47/29/06/976472906.db2.gz ZDGQLRJOGSEXCN-VIFPVBQESA-N -2 3 334.397 3.161 20 0 EGADHL CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001595232963 980129237 /nfs/dbraw/zinc/12/92/37/980129237.db2.gz ODNOYMILSOUNPL-MRVPVSSYSA-N -2 3 326.126 3.065 20 0 EGADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1 ZINC001595391944 980950097 /nfs/dbraw/zinc/95/00/97/980950097.db2.gz KIZTYBDYBUGAMM-UHFFFAOYSA-N -2 3 349.811 3.178 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000055558429 214329226 /nfs/dbraw/zinc/32/92/26/214329226.db2.gz KSVMOQRYYFVLLE-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000323205144 154170417 /nfs/dbraw/zinc/17/04/17/154170417.db2.gz HJFGBOCGVUPXHV-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCc1cccc2c(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c[nH]c21 ZINC000349105751 156355692 /nfs/dbraw/zinc/35/56/92/156355692.db2.gz HGUHEBDZUSBFQZ-BQYQJAHWSA-N -2 3 337.379 3.332 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)c1 ZINC000359078188 167060491 /nfs/dbraw/zinc/06/04/91/167060491.db2.gz IMYMJJHSXHKQAT-UHFFFAOYSA-N -2 3 333.409 3.387 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000391771891 308901557 /nfs/dbraw/zinc/90/15/57/308901557.db2.gz KPDNRLXLOMIMDO-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000013315664 323212287 /nfs/dbraw/zinc/21/22/87/323212287.db2.gz OLRPABAJDRIDLU-NQBHXWOUSA-N -2 3 343.470 3.084 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(CCC(=O)[O-])cc3)n[n-]2)o1 ZINC000178258638 323354543 /nfs/dbraw/zinc/35/45/43/323354543.db2.gz ITJRBATZGCYWQR-UHFFFAOYSA-N -2 3 339.351 3.248 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000012895237 453422018 /nfs/dbraw/zinc/42/20/18/453422018.db2.gz UVJYRLQXEAGKSA-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1F ZINC000013265512 453455926 /nfs/dbraw/zinc/45/59/26/453455926.db2.gz DXIMZLRNAHLRRA-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CC(C)c1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c([O-])c1 ZINC000067119210 453904524 /nfs/dbraw/zinc/90/45/24/453904524.db2.gz QLYDGZIQCIOBKL-UHFFFAOYSA-N -2 3 346.456 3.077 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000184653281 455422148 /nfs/dbraw/zinc/42/21/48/455422148.db2.gz RZDFLRFGXYCSDT-AWEZNQCLSA-N -2 3 347.436 3.367 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCc2c(F)cccc2F)c1 ZINC000629291019 460715314 /nfs/dbraw/zinc/71/53/14/460715314.db2.gz XFIQNBNEDNZOAL-UHFFFAOYSA-N -2 3 341.379 3.217 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000323342243 456654622 /nfs/dbraw/zinc/65/46/22/456654622.db2.gz PVTIZRUMLBQNIH-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357128562 457337883 /nfs/dbraw/zinc/33/78/83/457337883.db2.gz LHVWYLRSWNQTRJ-UHFFFAOYSA-N -2 3 339.800 3.076 20 0 EGADHL Cc1nc(C=Cc2ccccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000347386014 457393795 /nfs/dbraw/zinc/39/37/95/457393795.db2.gz BASKEDOGYKOKAQ-VOTSOKGWSA-N -2 3 349.184 3.051 20 0 EGADHL Cc1nc(C=Cc2cccc(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347423266 457417900 /nfs/dbraw/zinc/41/79/00/457417900.db2.gz UZSRHKHHYORDHG-AATRIKPKSA-N -2 3 349.184 3.051 20 0 EGADHL CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000352696424 457538613 /nfs/dbraw/zinc/53/86/13/457538613.db2.gz LXXGQKFKOVDRCO-UHFFFAOYSA-N -2 3 349.408 3.111 20 0 EGADHL O=C(Nc1nnc(-c2ccco2)[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000436565292 458334471 /nfs/dbraw/zinc/33/44/71/458334471.db2.gz ILYFZENRLXBUOU-UHFFFAOYSA-N -2 3 339.138 3.329 20 0 EGADHL O=C(Nc1nc(-c2ccco2)n[n-]1)c1c([O-])cc(Cl)cc1Cl ZINC000436565292 458334474 /nfs/dbraw/zinc/33/44/74/458334474.db2.gz ILYFZENRLXBUOU-UHFFFAOYSA-N -2 3 339.138 3.329 20 0 EGADHL O=C(Nc1n[n-]c(-c2ccco2)n1)c1c([O-])cc(Cl)cc1Cl ZINC000436565292 458334478 /nfs/dbraw/zinc/33/44/78/458334478.db2.gz ILYFZENRLXBUOU-UHFFFAOYSA-N -2 3 339.138 3.329 20 0 EGADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(Cl)o1 ZINC000436912224 458403284 /nfs/dbraw/zinc/40/32/84/458403284.db2.gz HAQHBMWTSKZIKF-UHFFFAOYSA-N -2 3 339.138 3.329 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCC2)o1 ZINC000584289448 459702426 /nfs/dbraw/zinc/70/24/26/459702426.db2.gz LLYZUBXKZDEXTL-INIZCTEOSA-N -2 3 349.408 3.188 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCC2)o1 ZINC000584289449 459702606 /nfs/dbraw/zinc/70/26/06/459702606.db2.gz LLYZUBXKZDEXTL-MRXNPFEDSA-N -2 3 349.408 3.188 20 0 EGADHL O=C([O-])c1cnc(-c2ccc(OC[C@@H]3CCCCO3)cc2)c([O-])c1 ZINC000657204000 461988681 /nfs/dbraw/zinc/98/86/81/461988681.db2.gz AKAREMVAXAJJDE-HNNXBMFYSA-N -2 3 329.352 3.100 20 0 EGADHL O=C(C=Cc1c(F)cccc1F)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163540767 546974208 /nfs/dbraw/zinc/97/42/08/546974208.db2.gz QEMXKZSEKGLBDS-CMDGGOBGSA-N -2 3 326.306 3.065 20 0 EGADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC000738784270 576360884 /nfs/dbraw/zinc/36/08/84/576360884.db2.gz CXORHVSWFDLSCC-UHFFFAOYSA-N -2 3 349.408 3.039 20 0 EGADHL O=C([O-])[C@H](CNC(=O)c1ccccc1[O-])Cc1cccc2ccccc21 ZINC000739403695 576408214 /nfs/dbraw/zinc/40/82/14/576408214.db2.gz RDGGHDBDMMWERJ-INIZCTEOSA-N -2 3 349.386 3.219 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000321796340 1297182118 /nfs/dbraw/zinc/18/21/18/1297182118.db2.gz LLWSLSIJTFWXRE-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793348638 1309350365 /nfs/dbraw/zinc/35/03/65/1309350365.db2.gz AOVVSVOCPRVUHU-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793351368 1309352409 /nfs/dbraw/zinc/35/24/09/1309352409.db2.gz WTHLXJNWPJLIQH-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccnc(C(C)(C)C)c2)cc1C(=O)[O-] ZINC001184664853 1387506032 /nfs/dbraw/zinc/50/60/32/1387506032.db2.gz VSBOEMYYQJMRBU-UHFFFAOYSA-N -2 3 348.424 3.187 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cccnc1Cl ZINC001184867282 1387550752 /nfs/dbraw/zinc/55/07/52/1387550752.db2.gz NVXFLNSVWQLYNB-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL O=S(=O)(Cc1ccc(Cl)c(F)c1)[N-]c1c([O-])cccc1F ZINC001197671931 1368870027 /nfs/dbraw/zinc/87/00/27/1368870027.db2.gz HJONCYZACGPBAM-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL Cc1cccc(C(C)C)c1NC(=S)NCCCCP(=O)([O-])[O-] ZINC001200408038 1369362059 /nfs/dbraw/zinc/36/20/59/1369362059.db2.gz BRQIONPICQNDIK-UHFFFAOYSA-N -2 3 344.417 3.363 20 0 EGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ncc(C(F)(F)F)cc1F ZINC001225019220 1375089240 /nfs/dbraw/zinc/08/92/40/1375089240.db2.gz UWMFTJFNDOWKAZ-MRVPVSSYSA-N -2 3 345.229 3.275 20 0 EGADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001594786777 953675469 /nfs/dbraw/zinc/67/54/69/953675469.db2.gz BMPKOBAIOKKYRR-CQSZACIVSA-N -2 3 341.388 3.033 20 0 EGADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCCCCC1 ZINC001594880496 954426442 /nfs/dbraw/zinc/42/64/42/954426442.db2.gz KFHSAYIGNNQBIC-UHFFFAOYSA-N -2 3 347.308 3.350 20 0 EGADHL CCC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC000389520317 972230768 /nfs/dbraw/zinc/23/07/68/972230768.db2.gz GIAFRCZNTMTUFF-UHFFFAOYSA-N -2 3 347.383 3.054 20 0 EGADHL O=C([O-])Cn1cc([N-]c2nc3cc(Cl)cc(Cl)c3o2)cn1 ZINC001574744908 957699394 /nfs/dbraw/zinc/69/93/94/957699394.db2.gz DGYGGJGUMIZEMU-UHFFFAOYSA-N -2 3 327.127 3.159 20 0 EGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000226465484 959880997 /nfs/dbraw/zinc/88/09/97/959880997.db2.gz QXOPFASPBPBYDF-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCCC1 ZINC000316822339 964059170 /nfs/dbraw/zinc/05/91/70/964059170.db2.gz KOOGFOXGCGUZAO-MRVPVSSYSA-N -2 3 349.811 3.034 20 0 EGADHL C[C@@H](Sc1ccccc1C(=O)Nc1cccc([O-])c1F)C(=O)[O-] ZINC000833544779 979201781 /nfs/dbraw/zinc/20/17/81/979201781.db2.gz IZALSGOKDIICMV-SECBINFHSA-N -2 3 335.356 3.349 20 0 EGADHL CCC(F)(F)C(=O)[N-][C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595216672 980016828 /nfs/dbraw/zinc/01/68/28/980016828.db2.gz LGLUFJBHZJKRFM-SNVBAGLBSA-N -2 3 339.260 3.383 20 0 EGADHL C[C@]([N-]C(=O)C(F)(F)c1ccccc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001592993440 980194369 /nfs/dbraw/zinc/19/43/69/980194369.db2.gz CTHLNADTLZWKML-MRXNPFEDSA-N -2 3 337.297 3.034 20 0 EGADHL C[C@]1(NC(=O)CCCc2ccc([O-])c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC000909535028 981534885 /nfs/dbraw/zinc/53/48/85/981534885.db2.gz VRGIXRDAPWLTPR-ACJLOTCBSA-N -2 3 337.391 3.004 20 0 EGADHL CCc1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c([O-])c1 ZINC001597502419 988067089 /nfs/dbraw/zinc/06/70/89/988067089.db2.gz ANAGCAZFXPYRHJ-JTQLQIEISA-N -2 3 347.342 3.198 20 0 EGADHL CCc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C(=O)[O-])c1 ZINC001597552412 988280906 /nfs/dbraw/zinc/28/09/06/988280906.db2.gz ZCKVSGZMGVHAAM-UHFFFAOYSA-N -2 3 341.289 3.074 20 0 EGADHL C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594236635 998902226 /nfs/dbraw/zinc/90/22/26/998902226.db2.gz RSRKXFMMSOLWOG-NWDGAFQWSA-N -2 3 343.445 3.109 20 0 EGADHL COc1ccc2oc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cc2c1 ZINC000349109342 156355703 /nfs/dbraw/zinc/35/57/03/156355703.db2.gz NCKOMDHETQDJSB-GQCTYLIASA-N -2 3 340.335 3.043 20 0 EGADHL Cc1nc(C=Cc2nc3ccc(F)cc3s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349115321 156357166 /nfs/dbraw/zinc/35/71/66/156357166.db2.gz XJXSDAYIGUYHBX-PLNGDYQASA-N -2 3 345.355 3.037 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(Cl)c1 ZINC000316807174 308766505 /nfs/dbraw/zinc/76/65/05/308766505.db2.gz NYIVIFCOTNCVKM-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)c1 ZINC000321605781 308767978 /nfs/dbraw/zinc/76/79/78/308767978.db2.gz LZZVKAVOGWNGFY-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CC2CCCCC2)o1 ZINC000572361020 317328097 /nfs/dbraw/zinc/32/80/97/317328097.db2.gz YMCRLYDIBBHHOU-AWEZNQCLSA-N -2 3 343.445 3.070 20 0 EGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000007745903 453110477 /nfs/dbraw/zinc/11/04/77/453110477.db2.gz GHNUKJUZSODBIF-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013348346 453461705 /nfs/dbraw/zinc/46/17/05/453461705.db2.gz RQPNHSXXJJIPNS-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C ZINC000055579618 453996980 /nfs/dbraw/zinc/99/69/80/453996980.db2.gz WKMKXPOHYLAIBD-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[n-]nc1-c1ccncc1 ZINC000353899256 456957420 /nfs/dbraw/zinc/95/74/20/456957420.db2.gz VEIBNMWRKPWKBS-UHFFFAOYSA-N -2 3 332.722 3.222 20 0 EGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cn[n-]c1-c1ccncc1 ZINC000353899256 456957422 /nfs/dbraw/zinc/95/74/22/456957422.db2.gz VEIBNMWRKPWKBS-UHFFFAOYSA-N -2 3 332.722 3.222 20 0 EGADHL Cc1nc(C=Cc2ccc(Br)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347386636 457393418 /nfs/dbraw/zinc/39/34/18/457393418.db2.gz TXPOWXSDPPCBDN-QPJJXVBHSA-N -2 3 349.184 3.051 20 0 EGADHL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)cc1C ZINC000358499557 458042066 /nfs/dbraw/zinc/04/20/66/458042066.db2.gz XMWSKEWVWFGOLL-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000436664599 458355257 /nfs/dbraw/zinc/35/52/57/458355257.db2.gz MBBHWUYJCXUOBC-UHFFFAOYSA-N -2 3 349.408 3.103 20 0 EGADHL CCc1ccccc1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000548282817 458859286 /nfs/dbraw/zinc/85/92/86/458859286.db2.gz DNJRLMIONIQWAI-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1C(=O)[O-] ZINC000532279207 459059107 /nfs/dbraw/zinc/05/91/07/459059107.db2.gz DGPIRWSEXPWXAI-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C(CSc1cccc2cccc(Cl)c21)N=c1ccc([O-])n[n-]1 ZINC000484473403 459415678 /nfs/dbraw/zinc/41/56/78/459415678.db2.gz YMNVUTQAAWEVPF-UHFFFAOYSA-N -2 3 345.811 3.142 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1c([O-])cccc1Cl)C1CCCCC1 ZINC000641687636 461321670 /nfs/dbraw/zinc/32/16/70/461321670.db2.gz RBAITKQFUKBJIF-CQSZACIVSA-N -2 3 347.864 3.383 20 0 EGADHL Cc1cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)ccc1Br ZINC000484992040 547968020 /nfs/dbraw/zinc/96/80/20/547968020.db2.gz XDYMYBQGKSHXJX-UHFFFAOYSA-N -2 3 331.169 3.367 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC000507595020 548009723 /nfs/dbraw/zinc/00/97/23/548009723.db2.gz GOBUMSHDTRDKFC-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000678110044 549398784 /nfs/dbraw/zinc/39/87/84/549398784.db2.gz GIHDZQLSEIJYTM-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738287177 576310671 /nfs/dbraw/zinc/31/06/71/576310671.db2.gz UIWGRPTZOQHIRZ-JTQLQIEISA-N -2 3 349.364 3.072 20 0 EGADHL O=C([O-])c1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000739345775 576400371 /nfs/dbraw/zinc/40/03/71/576400371.db2.gz QSZODZXICAIWNG-UHFFFAOYSA-N -2 3 335.359 3.329 20 0 EGADHL O=C([O-])c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1F ZINC000325950887 601878118 /nfs/dbraw/zinc/87/81/18/601878118.db2.gz LAEHMNVMORAWEA-UHFFFAOYSA-N -2 3 326.283 3.030 20 0 EGADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(-c3ccco3)s2)s1 ZINC000833241343 604283343 /nfs/dbraw/zinc/28/33/43/604283343.db2.gz HZEYPFJTFIWGNP-UHFFFAOYSA-N -2 3 349.393 3.129 20 0 EGADHL CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000871665452 1296471859 /nfs/dbraw/zinc/47/18/59/1296471859.db2.gz MIOZMWSKUKMDAK-SOFGYWHQSA-N -2 3 342.395 3.385 20 0 EGADHL CCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000795367002 1309734769 /nfs/dbraw/zinc/73/47/69/1309734769.db2.gz LVWJMUXAQNBUPM-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL O=C([O-])CCOc1ccccc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000901505368 1317436698 /nfs/dbraw/zinc/43/66/98/1317436698.db2.gz AOXCFHMVLXKCRJ-FPLPWBNLSA-N -2 3 326.352 3.084 20 0 EGADHL CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909696380 1318515161 /nfs/dbraw/zinc/51/51/61/1318515161.db2.gz SZJHUJBQJRGXIE-LJQANCHMSA-N -2 3 327.380 3.118 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC001185311238 1387678625 /nfs/dbraw/zinc/67/86/25/1387678625.db2.gz WOZFXPUBLYGOCX-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CC(C)c1cccc(F)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198792164 1369116237 /nfs/dbraw/zinc/11/62/37/1369116237.db2.gz GYNBSZLGSDPYFN-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1ccc2occc2c1 ZINC001198858533 1369132726 /nfs/dbraw/zinc/13/27/26/1369132726.db2.gz CDBIYHHLWMZXPC-UHFFFAOYSA-N -2 3 325.292 3.217 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(Cl)c(Cl)cc1F ZINC001201246043 1369503889 /nfs/dbraw/zinc/50/38/89/1369503889.db2.gz DFLRDFGERRIYTH-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL Cc1c(C(=O)[O-])ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1Cl ZINC001236128562 1376935031 /nfs/dbraw/zinc/93/50/31/1376935031.db2.gz LLCCUKZTQWMIMU-UHFFFAOYSA-N -2 3 332.722 3.333 20 0 EGADHL Cc1c(C(=O)[O-])ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1Cl ZINC001236128562 1376935041 /nfs/dbraw/zinc/93/50/41/1376935041.db2.gz LLCCUKZTQWMIMU-UHFFFAOYSA-N -2 3 332.722 3.333 20 0 EGADHL O=C([O-])c1cc(Nc2nc3c(cccc3[O-])s2)cc(C(=O)[O-])c1 ZINC001176236193 1385523082 /nfs/dbraw/zinc/52/30/82/1385523082.db2.gz GPLXVGFAWGPQSB-UHFFFAOYSA-N -3 3 330.321 3.142 20 0 EGADHL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000013059671 956920208 /nfs/dbraw/zinc/92/02/08/956920208.db2.gz GXUCDCGJPDEKCV-UHFFFAOYSA-N -2 3 335.381 3.015 20 0 EGADHL Cc1cccc([C@H](NC(=O)c2cc3sccc3c([O-])c2)C(=O)[O-])c1 ZINC001594392196 958741037 /nfs/dbraw/zinc/74/10/37/958741037.db2.gz FRFUXNQFEFQBIL-INIZCTEOSA-N -2 3 341.388 3.471 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001588962352 962623441 /nfs/dbraw/zinc/62/34/41/962623441.db2.gz ABBZNWJBQADQPE-INIZCTEOSA-N -2 3 331.343 3.210 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793350226 978802964 /nfs/dbraw/zinc/80/29/64/978802964.db2.gz IUHCXZYJJKIEQY-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL O=C([O-])CCCCCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909141788 981427001 /nfs/dbraw/zinc/42/70/01/981427001.db2.gz HRXODCXLEMBMPR-UHFFFAOYSA-N -2 3 333.306 3.176 20 0 EGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC001595687793 982181942 /nfs/dbraw/zinc/18/19/42/982181942.db2.gz URQBRLNYRBKVBJ-GFCCVEGCSA-N -2 3 331.434 3.251 20 0 EGADHL O=C([O-])c1cnc(C=Cc2cccc(Oc3ccccc3)c2)[n-]c1=O ZINC000225793071 242039841 /nfs/dbraw/zinc/03/98/41/242039841.db2.gz LSOIZZOOSJCUHP-MDZDMXLPSA-N -2 3 334.331 3.431 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000078938510 217152687 /nfs/dbraw/zinc/15/26/87/217152687.db2.gz JDNQQFHGDZUKSM-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COC(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)[n-]1 ZINC000344568537 141174673 /nfs/dbraw/zinc/17/46/73/141174673.db2.gz OYXYNRXUSAOSOZ-UHFFFAOYSA-N -2 3 329.139 3.066 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(F)c1 ZINC000315987184 154158510 /nfs/dbraw/zinc/15/85/10/154158510.db2.gz CBQBTRDKBUTHSX-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3cccc(CCC(=O)[O-])c3)n[n-]2)o1 ZINC000344036110 164087858 /nfs/dbraw/zinc/08/78/58/164087858.db2.gz SAZSCIPPLOKWQG-UHFFFAOYSA-N -2 3 339.351 3.248 20 0 EGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)ccc1[O-] ZINC000175688382 278186855 /nfs/dbraw/zinc/18/68/55/278186855.db2.gz MTPJMGGNTROVJW-UHFFFAOYSA-N -2 3 348.424 3.275 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1cc(F)ccc1[O-] ZINC000436607860 309764458 /nfs/dbraw/zinc/76/44/58/309764458.db2.gz SOZFVTMWUDFBJB-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000184659548 323670278 /nfs/dbraw/zinc/67/02/78/323670278.db2.gz VCYFHJPLBAGGLB-AWEZNQCLSA-N -2 3 347.436 3.367 20 0 EGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCC2CCCCC2)c1 ZINC000575474194 324463149 /nfs/dbraw/zinc/46/31/49/324463149.db2.gz LLMSFCCOSLGEBJ-UHFFFAOYSA-N -2 3 331.459 3.085 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000014097320 453504814 /nfs/dbraw/zinc/50/48/14/453504814.db2.gz VZCGXFXGVHOEIR-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1OC(C)C ZINC000042122875 453995967 /nfs/dbraw/zinc/99/59/67/453995967.db2.gz UKLRLYHHLGQRIS-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000058518775 454211700 /nfs/dbraw/zinc/21/17/00/454211700.db2.gz HQQNBVGDPCEFRF-UHFFFAOYSA-N -2 3 345.420 3.237 20 0 EGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1C ZINC000072003597 454265161 /nfs/dbraw/zinc/26/51/61/454265161.db2.gz TXPHPXIJNBMGHQ-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000060554413 454301272 /nfs/dbraw/zinc/30/12/72/454301272.db2.gz DRHJLNCFDOXGEM-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000048382882 454484292 /nfs/dbraw/zinc/48/42/92/454484292.db2.gz FGZKLCCDVFIUMN-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000172605646 455164472 /nfs/dbraw/zinc/16/44/72/455164472.db2.gz JFQDZBWKVLFEED-UHFFFAOYSA-N -2 3 347.436 3.466 20 0 EGADHL O=C(Nc1cc(Cl)ccc1[O-])c1nn(-c2ccccc2F)cc1[O-] ZINC000436793551 458381729 /nfs/dbraw/zinc/38/17/29/458381729.db2.gz SJJHCNXYDPYTIH-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL COc1cccc2c(C(=O)Nc3cc(Cl)c([O-])cc3F)[n-]nc21 ZINC000436923821 458406047 /nfs/dbraw/zinc/40/60/47/458406047.db2.gz UVWNLZSPZKSKMI-UHFFFAOYSA-N -2 3 335.722 3.322 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000547871767 458808908 /nfs/dbraw/zinc/80/89/08/458808908.db2.gz STJDJSIXRGPTAG-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)cc1C(=O)[O-] ZINC000578190163 459159515 /nfs/dbraw/zinc/15/95/15/459159515.db2.gz XJKFRMGEJGLJOG-MRXNPFEDSA-N -2 3 349.408 3.106 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C ZINC000614790475 460223815 /nfs/dbraw/zinc/22/38/15/460223815.db2.gz QICMYAVFJXDGSE-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CC(C)c1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c([O-])c1 ZINC000636320842 461097586 /nfs/dbraw/zinc/09/75/86/461097586.db2.gz UHDAQKXSDUYGAN-UHFFFAOYSA-N -2 3 341.411 3.209 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000645950382 462477025 /nfs/dbraw/zinc/47/70/25/462477025.db2.gz KHJHRMWNAXAERR-LURJTMIESA-N -2 3 349.817 3.041 20 0 EGADHL O=C(C=Cc1nc2ccccc2s1)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163625940 546974100 /nfs/dbraw/zinc/97/41/00/546974100.db2.gz NNADIGBEYUEPML-MDZDMXLPSA-N -2 3 347.403 3.396 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1CC ZINC000486089652 547968445 /nfs/dbraw/zinc/96/84/45/547968445.db2.gz QLQBFBHSGJKAQL-UHFFFAOYSA-N -3 3 349.408 3.016 20 0 EGADHL Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[O-] ZINC000679410487 549707977 /nfs/dbraw/zinc/70/79/77/549707977.db2.gz VQSNGXWMIGJVJT-UHFFFAOYSA-N -2 3 339.391 3.141 20 0 EGADHL Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c1 ZINC000738635551 575000049 /nfs/dbraw/zinc/00/00/49/575000049.db2.gz CJBWUWYRMWIXDQ-UHFFFAOYSA-N -2 3 337.278 3.253 20 0 EGADHL O=C([O-])[C@H](CNC(=O)c1ccccc1[O-])Cc1ccc2ccccc2c1 ZINC000739409068 576408428 /nfs/dbraw/zinc/40/84/28/576408428.db2.gz QOIPGEUUKKMSPC-KRWDZBQOSA-N -2 3 349.386 3.219 20 0 EGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000325020869 601196075 /nfs/dbraw/zinc/19/60/75/601196075.db2.gz FUKTZGGBLGLSSO-UHFFFAOYSA-N -2 3 349.774 3.218 20 0 EGADHL CCc1cccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1[O-] ZINC000830259683 601290549 /nfs/dbraw/zinc/29/05/49/601290549.db2.gz CINDBJUZBYGIBS-UHFFFAOYSA-N -2 3 328.368 3.317 20 0 EGADHL Cc1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)ccc1[O-] ZINC000077166023 1292453171 /nfs/dbraw/zinc/45/31/71/1292453171.db2.gz LYEVGONQFDDMKM-STMXVASLSA-N -2 3 326.348 3.449 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1C(=O)[O-] ZINC000748647913 1299054832 /nfs/dbraw/zinc/05/48/32/1299054832.db2.gz PERUCRJGZFPQIB-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL O=C(Nc1nc(Br)ccc1[O-])c1c([O-])cccc1Cl ZINC000783913291 1305161281 /nfs/dbraw/zinc/16/12/81/1305161281.db2.gz HIMPBQLINPBDCT-UHFFFAOYSA-N -2 3 343.564 3.161 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793350360 1309352447 /nfs/dbraw/zinc/35/24/47/1309352447.db2.gz LVXLOEDGFFCJDQ-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC001186190632 1387893850 /nfs/dbraw/zinc/89/38/50/1387893850.db2.gz MKBIZBVMNLHIRD-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL O=S(=O)([N-]c1c([S-])cccc1Cl)c1cnccc1Cl ZINC001192900653 1367900058 /nfs/dbraw/zinc/90/00/58/1367900058.db2.gz NWKUHUNOTPBZMD-UHFFFAOYSA-N -2 3 335.237 3.478 20 0 EGADHL C[Si](C)(C)CCS(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001195032392 1368364351 /nfs/dbraw/zinc/36/43/51/1368364351.db2.gz MSZYSAFMTOTMKQ-UHFFFAOYSA-N -2 3 330.507 3.082 20 0 EGADHL CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254920 1368408655 /nfs/dbraw/zinc/40/86/55/1368408655.db2.gz PRRAYJRSIYZWFR-SNVBAGLBSA-N -2 3 349.399 3.156 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1c(Cl)cccc1Cl ZINC001202109455 1369689605 /nfs/dbraw/zinc/68/96/05/1369689605.db2.gz BHSGNIMNSWURNB-UHFFFAOYSA-N -2 3 341.131 3.073 20 0 EGADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCc2cccc3ccccc32)n1 ZINC001187616701 1388131051 /nfs/dbraw/zinc/13/10/51/1388131051.db2.gz SOELYWGNWFFXSP-UHFFFAOYSA-N -2 3 342.420 3.233 20 0 EGADHL O=S(=O)([O-])c1cc(Cl)ccc1Nc1ccc([O-])c(F)c1F ZINC001212009304 1372647243 /nfs/dbraw/zinc/64/72/43/1372647243.db2.gz MTXOPRVBJOPHHO-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cc(-c2ccccc2)no1 ZINC001225019226 1375089611 /nfs/dbraw/zinc/08/96/11/1375089611.db2.gz AXIZGCUILCXDPT-GFCCVEGCSA-N -2 3 325.301 3.377 20 0 EGADHL CC(C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1 ZINC001225624416 1375133861 /nfs/dbraw/zinc/13/38/61/1375133861.db2.gz BPKAVABJASQZFT-UHFFFAOYSA-N -2 3 328.320 3.364 20 0 EGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1C(=O)[O-] ZINC000386205718 972036337 /nfs/dbraw/zinc/03/63/37/972036337.db2.gz LDGLOHRFVIEVAH-UHFFFAOYSA-N -2 3 343.788 3.357 20 0 EGADHL O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263466381 962654031 /nfs/dbraw/zinc/65/40/31/962654031.db2.gz WSNDTKJWUWSFDU-QGZVFWFLSA-N -2 3 339.391 3.062 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c([O-])c1 ZINC001591942706 976472524 /nfs/dbraw/zinc/47/25/24/976472524.db2.gz ZDGQLRJOGSEXCN-SECBINFHSA-N -2 3 334.397 3.161 20 0 EGADHL CCC(F)(F)C(=O)[N-][C@@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001595216671 980016920 /nfs/dbraw/zinc/01/69/20/980016920.db2.gz LGLUFJBHZJKRFM-JTQLQIEISA-N -2 3 339.260 3.383 20 0 EGADHL C[C@H]1CC[C@@](NC(=O)c2cc([O-])c3ccccc3c2)(C(=O)[O-])CC1 ZINC001599907226 984939712 /nfs/dbraw/zinc/93/97/12/984939712.db2.gz OQMKKUCJQIZPOJ-GGZYXLCDSA-N -2 3 327.380 3.309 20 0 EGADHL CC1(C)CC(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC(C)(C)C1 ZINC001593853273 996630766 /nfs/dbraw/zinc/63/07/66/996630766.db2.gz CQAUBLCSFRTQOU-UHFFFAOYSA-N -2 3 343.445 3.109 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000184651725 144096900 /nfs/dbraw/zinc/09/69/00/144096900.db2.gz ZQRRYWLRUBWLFB-CYBMUJFWSA-N -2 3 333.409 3.059 20 0 EGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(F)cc2[n-]nnc21 ZINC000337448928 154358707 /nfs/dbraw/zinc/35/87/07/154358707.db2.gz HBOBOBLVXDTRKV-UHFFFAOYSA-N -2 3 341.129 3.362 20 0 EGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(F)cc2nn[n-]c21 ZINC000337448928 154358710 /nfs/dbraw/zinc/35/87/10/154358710.db2.gz HBOBOBLVXDTRKV-UHFFFAOYSA-N -2 3 341.129 3.362 20 0 EGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cc(F)cc2n[n-]nc21 ZINC000337448928 154358711 /nfs/dbraw/zinc/35/87/11/154358711.db2.gz HBOBOBLVXDTRKV-UHFFFAOYSA-N -2 3 341.129 3.362 20 0 EGADHL CCCOc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000349113126 156356892 /nfs/dbraw/zinc/35/68/92/156356892.db2.gz QDOBZDPEYXSIHL-BQYQJAHWSA-N -2 3 328.368 3.077 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000391864562 308901676 /nfs/dbraw/zinc/90/16/76/308901676.db2.gz ZTMLGRJNOKOROG-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL O=c1[n-]c(-c2ccc([O-])cn2)nc2cc(Br)c(F)cc12 ZINC000427457559 309529426 /nfs/dbraw/zinc/52/94/26/309529426.db2.gz FIRCZCATRPFNRD-UHFFFAOYSA-N -2 3 336.120 3.005 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000013264839 453455407 /nfs/dbraw/zinc/45/54/07/453455407.db2.gz GPECXKAUJCFWPU-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1 ZINC000032596978 453878869 /nfs/dbraw/zinc/87/88/69/453878869.db2.gz DJNBWYAROGUCLK-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000045945938 454199256 /nfs/dbraw/zinc/19/92/56/454199256.db2.gz HLQBXDASUNIQPF-UHFFFAOYSA-N -2 3 339.800 3.401 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(=O)[O-] ZINC000152961614 454747548 /nfs/dbraw/zinc/74/75/48/454747548.db2.gz IIOKPJNTFNDZNF-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCCOCc2ccccc2)c1 ZINC000310477266 456583916 /nfs/dbraw/zinc/58/39/16/456583916.db2.gz BSJJOALGEZCUKT-UHFFFAOYSA-N -2 3 349.452 3.303 20 0 EGADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000319886641 456625769 /nfs/dbraw/zinc/62/57/69/456625769.db2.gz IRVJIXVKYUQZCD-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1C ZINC000349962052 457123299 /nfs/dbraw/zinc/12/32/99/457123299.db2.gz GQYNFUIBEKMYAC-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1nc(C=Cc2cccc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347386594 457393567 /nfs/dbraw/zinc/39/35/67/457393567.db2.gz SSUXDGWZSHGQIF-WAYWQWQTSA-N -2 3 338.285 3.307 20 0 EGADHL Cc1nc(C=Cc2ccccc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000347410083 457408823 /nfs/dbraw/zinc/40/88/23/457408823.db2.gz AVDGSXNDVCFJJT-VOTSOKGWSA-N -2 3 338.285 3.307 20 0 EGADHL Cc1nc(C=Cc2ccc(OC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347417256 457415643 /nfs/dbraw/zinc/41/56/43/457415643.db2.gz MDPMBEKAODRHAG-RMKNXTFCSA-N -2 3 328.368 3.075 20 0 EGADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000436782025 458379553 /nfs/dbraw/zinc/37/95/53/458379553.db2.gz AODYUESIOFNYFQ-HNNXBMFYSA-N -2 3 345.420 3.368 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442230533 458998951 /nfs/dbraw/zinc/99/89/51/458998951.db2.gz FIDOEOXZQREQRJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CSc1cc2c(cc1[N-]C(=O)c1cc(C)c(C(=O)[O-])o1)OCCO2 ZINC000630114534 461026372 /nfs/dbraw/zinc/02/63/72/461026372.db2.gz QQJOCUBYJDUNLO-UHFFFAOYSA-N -2 3 349.364 3.032 20 0 EGADHL Cc1c2ccccc2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738276474 576309300 /nfs/dbraw/zinc/30/93/00/576309300.db2.gz WAJDBENBCSVNKP-UHFFFAOYSA-N -2 3 345.380 3.252 20 0 EGADHL O=C([O-])CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000819513851 597366256 /nfs/dbraw/zinc/36/62/56/597366256.db2.gz SOCYPAFQEZBKMJ-UHFFFAOYSA-N -2 3 349.346 3.173 20 0 EGADHL CCc1cccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1[O-] ZINC000830260075 601289995 /nfs/dbraw/zinc/28/99/95/601289995.db2.gz PSAXIEOBIGQETP-UHFFFAOYSA-N -2 3 329.352 3.060 20 0 EGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000024102238 1291241666 /nfs/dbraw/zinc/24/16/66/1291241666.db2.gz NRNAUWCBFZEOJA-UHFFFAOYSA-N -2 3 336.369 3.054 20 0 EGADHL O=C([O-])C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000908588521 1318370620 /nfs/dbraw/zinc/37/06/20/1318370620.db2.gz IKFMAQZRDLWGEA-MRXNPFEDSA-N -2 3 345.370 3.186 20 0 EGADHL Cc1cc(C)c(C=CC=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000865223999 1329677428 /nfs/dbraw/zinc/67/74/28/1329677428.db2.gz NDNMAOUGPIHABX-KQQUZDAGSA-N -2 3 338.407 3.357 20 0 EGADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001185824711 1387809473 /nfs/dbraw/zinc/80/94/73/1387809473.db2.gz HKUKZAQODWZSBN-UHFFFAOYSA-N -2 3 333.743 3.433 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc(-c2ccsc2)c1 ZINC001189377370 1367006710 /nfs/dbraw/zinc/00/67/10/1367006710.db2.gz LCNJZRAWVKMHIE-UHFFFAOYSA-N -2 3 339.353 3.103 20 0 EGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1[S-] ZINC001198773440 1369109671 /nfs/dbraw/zinc/10/96/71/1369109671.db2.gz ZZCGBFCJJDGYTC-UHFFFAOYSA-N -3 3 343.813 3.128 20 0 EGADHL O=P([O-])([O-])CCCCNC(=S)Nc1cccc2ccccc21 ZINC001200114811 1369317228 /nfs/dbraw/zinc/31/72/28/1369317228.db2.gz JJECKJUATXSLKG-UHFFFAOYSA-N -2 3 338.369 3.084 20 0 EGADHL Cc1cccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1F ZINC001200798023 1369430843 /nfs/dbraw/zinc/43/08/43/1369430843.db2.gz FWWVMNVBTNXNSF-UHFFFAOYSA-N -2 3 333.743 3.433 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(Cl)c(Cl)c1 ZINC001202265495 1369725356 /nfs/dbraw/zinc/72/53/56/1369725356.db2.gz QDXJZLUJXCNDDI-UHFFFAOYSA-N -2 3 341.131 3.073 20 0 EGADHL O=C([O-])c1c(F)ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1F ZINC001205068868 1370642267 /nfs/dbraw/zinc/64/22/67/1370642267.db2.gz FWHYOFOUTAXRAR-UHFFFAOYSA-N -2 3 336.241 3.428 20 0 EGADHL CC[C@@H](C)[C@H](C(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820859929 1427647873 /nfs/dbraw/zinc/64/78/73/1427647873.db2.gz HECYPSVCJXENJG-MFKMUULPSA-N -2 3 342.428 3.092 20 0 EGADHL Cc1csc(C(=O)[O-])c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000323874653 971050039 /nfs/dbraw/zinc/05/00/39/971050039.db2.gz ULNQLOCFZFKPLR-UHFFFAOYSA-N -2 3 328.349 3.261 20 0 EGADHL C[C@H](CC(=O)[N-]OCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001592252166 977481265 /nfs/dbraw/zinc/48/12/65/977481265.db2.gz KKFKZLDJFOPYFJ-SNVBAGLBSA-N -2 3 333.306 3.112 20 0 EGADHL C[C@]([N-]C(=O)C(F)(F)c1ccc(F)cc1)(C(=O)[O-])c1ccccc1 ZINC001592994365 980203042 /nfs/dbraw/zinc/20/30/42/980203042.db2.gz WVUSNZKPAUEBOP-MRXNPFEDSA-N -2 3 337.297 3.034 20 0 EGADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909474286 981504163 /nfs/dbraw/zinc/50/41/63/981504163.db2.gz AYRBZGLJUOXUOK-JTQLQIEISA-N -2 3 345.317 3.128 20 0 EGADHL Cc1sc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])nc1C(=O)[O-] ZINC000910728379 982091257 /nfs/dbraw/zinc/09/12/57/982091257.db2.gz CZHCPATXSKGYNB-GFCCVEGCSA-N -2 3 346.408 3.141 20 0 EGADHL CC(=O)c1ccc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1[O-] ZINC001589277143 985992807 /nfs/dbraw/zinc/99/28/07/985992807.db2.gz DJKRAFDEKPCEPO-UHFFFAOYSA-N -2 3 338.319 3.027 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c1 ZINC001597556188 988285680 /nfs/dbraw/zinc/28/56/80/988285680.db2.gz JNLDSWIWWNEJBQ-OFQRWUPVSA-N -2 3 331.412 3.060 20 0 EGADHL CC(C)(C)c1nc(C(=O)[N-]c2cccnc2SCCC(=O)[O-])co1 ZINC001590537480 990155718 /nfs/dbraw/zinc/15/57/18/990155718.db2.gz KRXYOLPDOBPYFS-UHFFFAOYSA-N -2 3 349.412 3.186 20 0 EGADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC001599514212 997354826 /nfs/dbraw/zinc/35/48/26/997354826.db2.gz HHGQCCCVTSPSAF-HNNXBMFYSA-N -2 3 349.770 3.000 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)n[n-]2)o1 ZINC000178260369 144068082 /nfs/dbraw/zinc/06/80/82/144068082.db2.gz MWONPLULVXWSSM-UHFFFAOYSA-N -2 3 325.324 3.237 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)[n-]n2)o1 ZINC000178260369 144068084 /nfs/dbraw/zinc/06/80/84/144068084.db2.gz MWONPLULVXWSSM-UHFFFAOYSA-N -2 3 325.324 3.237 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)c1C ZINC000343750988 164026191 /nfs/dbraw/zinc/02/61/91/164026191.db2.gz JPYMSXHYZAJWKL-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL COc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345992073 164312693 /nfs/dbraw/zinc/31/26/93/164312693.db2.gz JWHIXJVSZYIYLN-CQSZACIVSA-N -2 3 349.770 3.000 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000392190544 308901905 /nfs/dbraw/zinc/90/19/05/308901905.db2.gz XLEBSEVERDAGRE-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C ZINC000471109014 310733947 /nfs/dbraw/zinc/73/39/47/310733947.db2.gz UNYVTVXPODPGQJ-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC000515633438 312292415 /nfs/dbraw/zinc/29/24/15/312292415.db2.gz HNQRTGNKKXFDDP-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000389432532 324278894 /nfs/dbraw/zinc/27/88/94/324278894.db2.gz YUGPPYLKLZCSRH-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](CC2CCC2)c2ccccc2)c1 ZINC000575178160 324432489 /nfs/dbraw/zinc/43/24/89/324432489.db2.gz LYLMIKGXNQEHDQ-HNNXBMFYSA-N -2 3 349.408 3.188 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C ZINC000032596968 453879366 /nfs/dbraw/zinc/87/93/66/453879366.db2.gz TUMDVBDTSCTTGY-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000090164037 454287273 /nfs/dbraw/zinc/28/72/73/454287273.db2.gz SLCLHVQJNDUZSN-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(F)c1 ZINC000060800135 454314313 /nfs/dbraw/zinc/31/43/13/454314313.db2.gz MOJPANWFQZRZQT-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)CCC2CC2)c1 ZINC000272100439 455846121 /nfs/dbraw/zinc/84/61/21/455846121.db2.gz LLFWZEZCZFUCNX-UHFFFAOYSA-N -2 3 334.235 3.005 20 0 EGADHL CSc1nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)on2)n[n-]1 ZINC000354129379 457082633 /nfs/dbraw/zinc/08/26/33/457082633.db2.gz OVBLCWWPDQWRPW-UHFFFAOYSA-N -2 3 335.776 3.087 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000342775905 457515618 /nfs/dbraw/zinc/51/56/18/457515618.db2.gz FRPIGLSPGHOJDN-UHFFFAOYSA-N -2 3 335.406 3.416 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447269504 458278413 /nfs/dbraw/zinc/27/84/13/458278413.db2.gz BOMDRZJWRZBHEO-UHFFFAOYSA-N -2 3 331.393 3.453 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000613705528 461038628 /nfs/dbraw/zinc/03/86/28/461038628.db2.gz NZUISGPESCMTAV-UHFFFAOYSA-N -2 3 338.157 3.121 20 0 EGADHL O=c1[nH]c(Cc2cccc(Br)c2[O-])nc2ccc([O-])cc12 ZINC000443055722 547918362 /nfs/dbraw/zinc/91/83/62/547918362.db2.gz BKNLSHHORRCFBM-UHFFFAOYSA-N -2 3 347.168 3.100 20 0 EGADHL CC(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000736427001 575959188 /nfs/dbraw/zinc/95/91/88/575959188.db2.gz QCKCUDGNKRGDFJ-GFCCVEGCSA-N -2 3 331.434 3.107 20 0 EGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3ccccc3s2)s1 ZINC000739711726 576500229 /nfs/dbraw/zinc/50/02/29/576500229.db2.gz PSGCWQUOIHHEAF-UHFFFAOYSA-N -2 3 347.421 3.412 20 0 EGADHL O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)s1 ZINC000833314446 601941909 /nfs/dbraw/zinc/94/19/09/601941909.db2.gz IUJFUIFLHRKKDQ-UHFFFAOYSA-N -2 3 345.420 3.247 20 0 EGADHL Cc1cc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)ccc1[O-] ZINC000077166028 1292453838 /nfs/dbraw/zinc/45/38/38/1292453838.db2.gz MGCDLWNGSRTZPC-XBXARRHUSA-N -2 3 326.348 3.450 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc(C(=O)[O-])c1F ZINC000133113351 1293736752 /nfs/dbraw/zinc/73/67/52/1293736752.db2.gz QUCSFKYJYXMEAU-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C ZINC000182496212 1295053512 /nfs/dbraw/zinc/05/35/12/1295053512.db2.gz NMPVWLMHXGQYMQ-UHFFFAOYSA-N -2 3 327.789 3.163 20 0 EGADHL Cc1ccc(-c2ccc(CN[C@H](CCCC(=O)[O-])C(=O)[O-])o2)cc1 ZINC000904055402 1317779438 /nfs/dbraw/zinc/77/94/38/1317779438.db2.gz FNCIAABZKZXKRU-OAHLLOKOSA-N -2 3 331.368 3.053 20 0 EGADHL CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909696376 1318515524 /nfs/dbraw/zinc/51/55/24/1318515524.db2.gz SZJHUJBQJRGXIE-IBGZPJMESA-N -2 3 327.380 3.118 20 0 EGADHL O=C(Nc1cccc([O-])c1F)c1cccc(Br)c1[O-] ZINC001324765112 1387764340 /nfs/dbraw/zinc/76/43/40/1387764340.db2.gz VACJGGPBSLQJSV-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccccc1-c1ccccc1 ZINC001189730757 1367097423 /nfs/dbraw/zinc/09/74/23/1367097423.db2.gz NVMQPVLZUBMVTQ-UHFFFAOYSA-N -2 3 348.339 3.433 20 0 EGADHL O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cnc(C(F)(F)F)[n-]1 ZINC001194783177 1368322313 /nfs/dbraw/zinc/32/23/13/1368322313.db2.gz HSUQQYYYLHDINQ-UHFFFAOYSA-N -2 3 339.195 3.405 20 0 EGADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cc(Cl)ccc2Cl)n1 ZINC001197502921 1368827891 /nfs/dbraw/zinc/82/78/91/1368827891.db2.gz PUWVEICMTWQZDH-UHFFFAOYSA-N -2 3 347.223 3.344 20 0 EGADHL O=C([O-])c1c(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001203321710 1370082239 /nfs/dbraw/zinc/08/22/39/1370082239.db2.gz IBGTWSBAGHRFRW-UHFFFAOYSA-N -2 3 331.278 3.298 20 0 EGADHL O=C(Nc1cc([O-])c(F)cc1F)c1ccc2ccc(O)cc2c1[O-] ZINC001298974545 1383448053 /nfs/dbraw/zinc/44/80/53/1383448053.db2.gz RTJCYXVTFZTZLI-UHFFFAOYSA-N -2 3 331.274 3.487 20 0 EGADHL CC(C)=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824177730 1427343522 /nfs/dbraw/zinc/34/35/22/1427343522.db2.gz JOCYSCYJHOOHKR-UHFFFAOYSA-N -2 3 340.412 3.285 20 0 EGADHL CC(C)=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824177730 1427343527 /nfs/dbraw/zinc/34/35/27/1427343527.db2.gz JOCYSCYJHOOHKR-UHFFFAOYSA-N -2 3 340.412 3.285 20 0 EGADHL O=C(C=C1CCC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826399212 1443343931 /nfs/dbraw/zinc/34/39/31/1443343931.db2.gz PMVQCQSOWMFLAB-UHFFFAOYSA-N -2 3 338.396 3.039 20 0 EGADHL O=C(C=C1CCC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826399212 1443343933 /nfs/dbraw/zinc/34/39/33/1443343933.db2.gz PMVQCQSOWMFLAB-UHFFFAOYSA-N -2 3 338.396 3.039 20 0 EGADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001595015380 951281091 /nfs/dbraw/zinc/28/10/91/951281091.db2.gz VGCSBGWCSYEIGF-LLVKDONJSA-N -2 3 333.409 3.324 20 0 EGADHL C[C@@]([N-]C(=O)C(F)(F)c1ccccc1F)(C(=O)[O-])c1ccccc1 ZINC001589088282 955915530 /nfs/dbraw/zinc/91/55/30/955915530.db2.gz OFRVQLOMCHENIT-INIZCTEOSA-N -2 3 337.297 3.034 20 0 EGADHL CC(C)[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001603096479 972170932 /nfs/dbraw/zinc/17/09/32/972170932.db2.gz MQOJOFBPGYIOKX-INIZCTEOSA-N -2 3 329.352 3.024 20 0 EGADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909476924 957019804 /nfs/dbraw/zinc/01/98/04/957019804.db2.gz HLLSWIUTXFONDX-CYBMUJFWSA-N -2 3 327.380 3.262 20 0 EGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000037370859 957272401 /nfs/dbraw/zinc/27/24/01/957272401.db2.gz HUUSWJWVOUMHRU-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391588895 972348499 /nfs/dbraw/zinc/34/84/99/972348499.db2.gz LCKMUPDUBLMGOR-JTQLQIEISA-N -2 3 349.399 3.158 20 0 EGADHL O=C([O-])c1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000700687556 976963666 /nfs/dbraw/zinc/96/36/66/976963666.db2.gz DVAUYCJVDWHCKD-UHFFFAOYSA-N -2 3 336.141 3.105 20 0 EGADHL C[C@@H](CN(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC001592605424 978551893 /nfs/dbraw/zinc/55/18/93/978551893.db2.gz KIJFEIOIYHBQTR-LBPRGKRZSA-N -2 3 347.798 3.409 20 0 EGADHL CCCN(CC(=O)[O-])C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001595849065 982779251 /nfs/dbraw/zinc/77/92/51/982779251.db2.gz FZOONXYDXMNSFZ-UHFFFAOYSA-N -2 3 329.352 3.121 20 0 EGADHL CSc1ccc([O-])c(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC001599819956 988495282 /nfs/dbraw/zinc/49/52/82/988495282.db2.gz KKCNMQLFQNKOBG-UHFFFAOYSA-N -2 3 337.441 3.269 20 0 EGADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593155656 993968679 /nfs/dbraw/zinc/96/86/79/993968679.db2.gz MVMGJSVWBRFXJF-RISCZKNCSA-N -2 3 347.798 3.107 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000005132752 210396440 /nfs/dbraw/zinc/39/64/40/210396440.db2.gz WPFNMGKKHTUGDB-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000133585711 264765918 /nfs/dbraw/zinc/76/59/18/264765918.db2.gz FOADVULLWCZGOE-UHFFFAOYSA-N -2 3 349.195 3.129 20 0 EGADHL Cc1nc(C=Cc2c(F)cccc2Cl)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503341 266185519 /nfs/dbraw/zinc/18/55/19/266185519.db2.gz HZKRPZIYEYZNTM-FNORWQNLSA-N -2 3 336.750 3.058 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000181195874 275205529 /nfs/dbraw/zinc/20/55/29/275205529.db2.gz SQACFHOMTDRFMO-UHFFFAOYSA-N -2 3 347.436 3.348 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000512771166 312194930 /nfs/dbraw/zinc/19/49/30/312194930.db2.gz KCSYTFIHMVENIM-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000535053565 314020653 /nfs/dbraw/zinc/02/06/53/314020653.db2.gz SAYNCUMEUIWGNE-UHFFFAOYSA-N -2 3 339.388 3.367 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000548537424 315022387 /nfs/dbraw/zinc/02/23/87/315022387.db2.gz WGSBNFFDWURWCT-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000578719124 325007828 /nfs/dbraw/zinc/00/78/28/325007828.db2.gz XFHADPDWMMEMLZ-ZDUSSCGKSA-N -2 3 345.436 3.084 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000058418226 454201025 /nfs/dbraw/zinc/20/10/25/454201025.db2.gz YSRBLHXAZQCJRP-UHFFFAOYSA-N -2 3 345.420 3.237 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000046072822 454214442 /nfs/dbraw/zinc/21/44/42/454214442.db2.gz VREWQQHZPBPIOE-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(Cl)ccc1[O-] ZINC000172892081 455205318 /nfs/dbraw/zinc/20/53/18/455205318.db2.gz FSYAUZOINGZXCS-UHFFFAOYSA-N -2 3 345.779 3.005 20 0 EGADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000339137102 456957815 /nfs/dbraw/zinc/95/78/15/456957815.db2.gz PHKZXGKFRIXZSL-UHFFFAOYSA-N -2 3 335.323 3.018 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1C(=O)[O-] ZINC000358567972 458082463 /nfs/dbraw/zinc/08/24/63/458082463.db2.gz QRVQLRIBHVPMSN-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471136782 458681354 /nfs/dbraw/zinc/68/13/54/458681354.db2.gz NNXMPUQRIPYFLZ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])sc1Cl ZINC000530487555 458777419 /nfs/dbraw/zinc/77/74/19/458777419.db2.gz BLQCNVQTIQBZKN-SECBINFHSA-N -2 3 339.866 3.022 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(C(F)(F)F)s1 ZINC000567659217 459140379 /nfs/dbraw/zinc/14/03/79/459140379.db2.gz UWKBSLCNZIFNAL-UHFFFAOYSA-N -2 3 341.307 3.412 20 0 EGADHL O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1ccc(F)cc1[O-] ZINC000567999497 459205393 /nfs/dbraw/zinc/20/53/93/459205393.db2.gz RROMHQHHPHUMTN-UHFFFAOYSA-N -2 3 335.400 3.078 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)c1 ZINC000501855959 459749684 /nfs/dbraw/zinc/74/96/84/459749684.db2.gz NUOOHTJYZFRQFP-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([N-]c1n[n-]c(-c2ccc3ccccc3n2)n1)c1cc(C2CC2)no1 ZINC000647772052 461831015 /nfs/dbraw/zinc/83/10/15/461831015.db2.gz DWWSVPHOMTVFLI-UHFFFAOYSA-N -2 3 346.350 3.138 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000645950383 462477195 /nfs/dbraw/zinc/47/71/95/462477195.db2.gz KHJHRMWNAXAERR-ZCFIWIBFSA-N -2 3 349.817 3.041 20 0 EGADHL CCOc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(Cl)c1[O-] ZINC000186880352 535663981 /nfs/dbraw/zinc/66/39/81/535663981.db2.gz OTISRCFPKZFAJE-UHFFFAOYSA-N -2 3 339.750 3.219 20 0 EGADHL CCOc1cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc(Cl)c1[O-] ZINC000436931001 547904922 /nfs/dbraw/zinc/90/49/22/547904922.db2.gz ZYGPDLAQCSRIOI-UHFFFAOYSA-N -3 3 332.743 3.466 20 0 EGADHL CN(CC(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)[O-] ZINC000737394633 576220347 /nfs/dbraw/zinc/22/03/47/576220347.db2.gz HRLNVUUJEHNZEI-UHFFFAOYSA-N -2 3 331.372 3.187 20 0 EGADHL CN(Cc1ccc(NC(=O)[N-]OCc2ccccc2)cc1)C(=O)[O-] ZINC000737479960 576235899 /nfs/dbraw/zinc/23/58/99/576235899.db2.gz CJNBPBXYDLMQGJ-UHFFFAOYSA-N -2 3 329.356 3.050 20 0 EGADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2[O-])cc1 ZINC000738202315 576299432 /nfs/dbraw/zinc/29/94/32/576299432.db2.gz DIXHHJWNBSVDPP-AWEZNQCLSA-N -2 3 331.393 3.060 20 0 EGADHL Cc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1[O-] ZINC000738692601 576352033 /nfs/dbraw/zinc/35/20/33/576352033.db2.gz LHDXITIEPPZADE-UHFFFAOYSA-N -2 3 331.393 3.271 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2cccc(SCCC(=O)[O-])c2)c1 ZINC000833733581 604622815 /nfs/dbraw/zinc/62/28/15/604622815.db2.gz VIBAENAOONRLSI-UHFFFAOYSA-N -2 3 347.392 3.220 20 0 EGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000832899446 604747573 /nfs/dbraw/zinc/74/75/73/604747573.db2.gz ORMCRTZDUXJGHO-QMMMGPOBSA-N -2 3 331.353 3.183 20 0 EGADHL O=C([O-])c1cc(C=Cc2ccccc2-c2nnn[n-]2)nc2ccccc21 ZINC000826462009 607884014 /nfs/dbraw/zinc/88/40/14/607884014.db2.gz LUXHWEHZMIINMN-MDZDMXLPSA-N -2 3 343.346 3.284 20 0 EGADHL O=C([O-])c1cc(C=Cc2ccccc2-c2nn[n-]n2)nc2ccccc21 ZINC000826462009 607884015 /nfs/dbraw/zinc/88/40/15/607884015.db2.gz LUXHWEHZMIINMN-MDZDMXLPSA-N -2 3 343.346 3.284 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C)c1C(=O)[O-] ZINC000871774463 1296526277 /nfs/dbraw/zinc/52/62/77/1296526277.db2.gz DGORXSFYUKNDOL-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910980970 1318705065 /nfs/dbraw/zinc/70/50/65/1318705065.db2.gz ADWBDHGXNWKZLQ-UHFFFAOYSA-N -2 3 337.326 3.024 20 0 EGADHL O=S(=O)([N-]c1ccccc1[S-])c1ccc(-c2cnco2)cc1 ZINC001185220778 1387654705 /nfs/dbraw/zinc/65/47/05/1387654705.db2.gz CXKPSHUUFCFQMF-UHFFFAOYSA-N -2 3 332.406 3.431 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1C ZINC001194863160 1368336651 /nfs/dbraw/zinc/33/66/51/1368336651.db2.gz BSXWAMJGEKLFIT-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254381 1368408367 /nfs/dbraw/zinc/40/83/67/1368408367.db2.gz LFNOQNKMXWZVLX-JTQLQIEISA-N -2 3 349.399 3.300 20 0 EGADHL COc1ccc(Nc2cccc([O-])c2Cl)c(S(=O)(=O)[O-])c1 ZINC001210854611 1372441287 /nfs/dbraw/zinc/44/12/87/1372441287.db2.gz HVBKOHNONDLYBF-UHFFFAOYSA-N -2 3 329.761 3.045 20 0 EGADHL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC001594727808 957021919 /nfs/dbraw/zinc/02/19/19/957021919.db2.gz VNIJHEPVLWGXCD-IUODEOHRSA-N -2 3 331.755 3.089 20 0 EGADHL Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000132592517 958791661 /nfs/dbraw/zinc/79/16/61/958791661.db2.gz VLIVZBGUHGWIGO-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL O=C([O-])c1ccc2c(c1)CCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908646657 981332947 /nfs/dbraw/zinc/33/29/47/981332947.db2.gz NZZZZROPVIYFBF-UHFFFAOYSA-N -2 3 343.354 3.142 20 0 EGADHL CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1[O-] ZINC001589277332 985995260 /nfs/dbraw/zinc/99/52/60/985995260.db2.gz NRBLJQVNULNGBE-UHFFFAOYSA-N -2 3 333.727 3.199 20 0 EGADHL CSc1ccc([O-])c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001599820417 988504603 /nfs/dbraw/zinc/50/46/03/988504603.db2.gz YYTKLFRKTPHCHM-OAHLLOKOSA-N -2 3 331.393 3.012 20 0 EGADHL CC(C)C[C@@H](C(=O)[O-])N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001591431818 992526033 /nfs/dbraw/zinc/52/60/33/992526033.db2.gz LIVIOYKJVUOELM-LBPRGKRZSA-N -2 3 343.383 3.013 20 0 EGADHL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000055581666 214331286 /nfs/dbraw/zinc/33/12/86/214331286.db2.gz SDIQIQSWLRLHHL-CMDGGOBGSA-N -2 3 335.356 3.245 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000325042293 154176897 /nfs/dbraw/zinc/17/68/97/154176897.db2.gz MSIFWCNXNPFKEW-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1nc(C=Cc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347380219 164491404 /nfs/dbraw/zinc/49/14/04/164491404.db2.gz HZRTYYHHFHFIRT-QPJJXVBHSA-N -2 3 338.285 3.307 20 0 EGADHL CCC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000360549957 167354964 /nfs/dbraw/zinc/35/49/64/167354964.db2.gz HHPXGSVYYVVGLL-JTQLQIEISA-N -2 3 347.845 3.086 20 0 EGADHL O=C(Nc1ccccc1[O-])c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000176987829 265221964 /nfs/dbraw/zinc/22/19/64/265221964.db2.gz RDOCTULALLOZJH-UHFFFAOYSA-N -2 3 329.743 3.189 20 0 EGADHL COc1cc(C)cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[O-] ZINC000436841559 309777182 /nfs/dbraw/zinc/77/71/82/309777182.db2.gz SZRJTWHJFJEIOP-UHFFFAOYSA-N -2 3 339.351 3.057 20 0 EGADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000484545236 310966133 /nfs/dbraw/zinc/96/61/33/310966133.db2.gz WGBULUPZZXXSHV-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1ccccc1-c1cc(=NC(=O)c2cc(F)c(F)c([O-])c2F)[nH][n-]1 ZINC000543567146 314637272 /nfs/dbraw/zinc/63/72/72/314637272.db2.gz AUUIOTDSSIILKH-UHFFFAOYSA-N -2 3 347.296 3.182 20 0 EGADHL Cc1ccc(-n2[n-]c(C(=O)Nc3c([O-])cccc3Cl)cc2=O)cc1 ZINC000558473386 315572087 /nfs/dbraw/zinc/57/20/87/315572087.db2.gz YPRUUDZZAGVVAS-UHFFFAOYSA-N -2 3 343.770 3.085 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1C(=O)[O-] ZINC000013349008 453460560 /nfs/dbraw/zinc/46/05/60/453460560.db2.gz YTNXSGKJQFUXRY-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000047949142 454423995 /nfs/dbraw/zinc/42/39/95/454423995.db2.gz NFVMYVRIMQDOPF-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2c([O-])cccc21 ZINC000186331180 455744901 /nfs/dbraw/zinc/74/49/01/455744901.db2.gz JXHXBQWFCIYEIH-CYBMUJFWSA-N -2 3 349.390 3.438 20 0 EGADHL CSc1nc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n[n-]1 ZINC000340268689 456352241 /nfs/dbraw/zinc/35/22/41/456352241.db2.gz ZOTUGGVHMANSFH-UHFFFAOYSA-N -2 3 335.776 3.087 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000318817325 456620459 /nfs/dbraw/zinc/62/04/59/456620459.db2.gz ZBXVABWRCQRXKS-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000323988355 456658927 /nfs/dbraw/zinc/65/89/27/456658927.db2.gz GGNZYRCDZPSFTG-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1F ZINC000342776020 457517178 /nfs/dbraw/zinc/51/71/78/457517178.db2.gz GHWDBLWNZPFEMF-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CSC)cc2)c1 ZINC000342778817 457519039 /nfs/dbraw/zinc/51/90/39/457519039.db2.gz KKAKAXNTQURYJT-UHFFFAOYSA-N -2 3 339.438 3.065 20 0 EGADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427336509 457975340 /nfs/dbraw/zinc/97/53/40/457975340.db2.gz RGJDYYVJRLEGQO-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(O)c(C(=O)[O-])c2)CC)n1 ZINC000436826516 458387811 /nfs/dbraw/zinc/38/78/11/458387811.db2.gz AKFBLSBFBBLPQW-WQLSENKSSA-N -2 3 328.368 3.077 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc(C)c1F ZINC000460451113 458518488 /nfs/dbraw/zinc/51/84/88/458518488.db2.gz BQMVHBMEIWUWCU-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)cccc2SC)c1 ZINC000471982108 458760634 /nfs/dbraw/zinc/76/06/34/458760634.db2.gz ACRIWJLNWKUOAN-UHFFFAOYSA-N -2 3 339.438 3.232 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1C ZINC000532279519 459060237 /nfs/dbraw/zinc/06/02/37/459060237.db2.gz ICNWIIODNNXJKW-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([O-])c1cnc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)c([O-])c1 ZINC000657204878 461989252 /nfs/dbraw/zinc/98/92/52/461989252.db2.gz XAEDHMCUXDPBQF-ZDUSSCGKSA-N -2 3 347.342 3.239 20 0 EGADHL COc1ccc(NC(=O)c2cccc(Br)c2[O-])c([O-])c1 ZINC000527203088 548030445 /nfs/dbraw/zinc/03/04/45/548030445.db2.gz TTYNCCDDHIWEFQ-UHFFFAOYSA-N -2 3 338.157 3.121 20 0 EGADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000736416728 575953342 /nfs/dbraw/zinc/95/33/42/575953342.db2.gz QGRWLFWCTHRRKE-CYBMUJFWSA-N -2 3 335.335 3.102 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000737267832 576195521 /nfs/dbraw/zinc/19/55/21/576195521.db2.gz LRICAZLIJMWYGW-UHFFFAOYSA-N -2 3 343.379 3.451 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000738632543 576343728 /nfs/dbraw/zinc/34/37/28/576343728.db2.gz HACZBJPBXQVJOG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1ccc2c(=O)[n-]c(C(F)(F)c3ccc(F)cc3)nc2c1 ZINC000740188529 576562249 /nfs/dbraw/zinc/56/22/49/576562249.db2.gz ANAFCDLWXJVRQE-UHFFFAOYSA-N -2 3 334.253 3.313 20 0 EGADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000131547619 1293694280 /nfs/dbraw/zinc/69/42/80/1293694280.db2.gz UCTFKOWDQXUUBX-UHFFFAOYSA-N -2 3 343.763 3.188 20 0 EGADHL Cc1cccc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1[O-] ZINC000902822133 1317620255 /nfs/dbraw/zinc/62/02/55/1317620255.db2.gz QOZIEMAUFOOVBB-CQSZACIVSA-N -2 3 339.391 3.385 20 0 EGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1F ZINC001198779461 1369112884 /nfs/dbraw/zinc/11/28/84/1369112884.db2.gz PXBKIIUZKDIDSL-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(Cl)cc1F ZINC001198790578 1369115397 /nfs/dbraw/zinc/11/53/97/1369115397.db2.gz ZTQODWYIHCZTAK-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1[S-] ZINC001259091391 1377121111 /nfs/dbraw/zinc/12/11/11/1377121111.db2.gz CMQPKDZAERIKHZ-UHFFFAOYSA-N -2 3 331.365 3.063 20 0 EGADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc2cccnc2c1[O-] ZINC001149326985 1379364657 /nfs/dbraw/zinc/36/46/57/1379364657.db2.gz NVWFWXJQZSYPMC-UHFFFAOYSA-N -2 3 346.346 3.084 20 0 EGADHL CSc1nc(NC(=O)c2c([O-])ccc3ccccc32)cc(=O)[n-]1 ZINC001153498331 1380085407 /nfs/dbraw/zinc/08/54/07/1380085407.db2.gz CGICFZYNBKJYDN-UHFFFAOYSA-N -2 3 327.365 3.015 20 0 EGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1C(=O)[O-] ZINC000317025289 964088287 /nfs/dbraw/zinc/08/82/87/964088287.db2.gz ULVVNMHWRGWTOW-UHFFFAOYSA-N -2 3 343.788 3.357 20 0 EGADHL O=C([O-])c1cccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001606517642 974013334 /nfs/dbraw/zinc/01/33/34/974013334.db2.gz VIYVNEQSICBKDN-UHFFFAOYSA-N -2 3 342.738 3.132 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1C ZINC000793348634 978802805 /nfs/dbraw/zinc/80/28/05/978802805.db2.gz AIXQVRVBJQPOKF-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)[C@@H]2CCC[C@@H]21 ZINC000910248799 981821013 /nfs/dbraw/zinc/82/10/13/981821013.db2.gz SCSYMKPGRPEJKX-BRWVUGGUSA-N -2 3 339.391 3.261 20 0 EGADHL CCCCC1CCC([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001595661697 982077344 /nfs/dbraw/zinc/07/73/44/982077344.db2.gz WYUCGEAQDYQVCK-UHFFFAOYSA-N -2 3 343.445 3.314 20 0 EGADHL CCN(CCC(=O)[O-])C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001596309076 983737601 /nfs/dbraw/zinc/73/76/01/983737601.db2.gz PBVBBWRAVVSRSO-UHFFFAOYSA-N -2 3 341.407 3.114 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC001599820379 988502604 /nfs/dbraw/zinc/50/26/04/988502604.db2.gz WTNPOYSTDSYBOB-OAHLLOKOSA-N -2 3 349.383 3.117 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001599598761 993784550 /nfs/dbraw/zinc/78/45/50/993784550.db2.gz XHRLVHLLVPVDKJ-UHFFFAOYSA-N -2 3 333.365 3.073 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC(=O)[O-])cc2)CC)n1 ZINC000193618735 240236966 /nfs/dbraw/zinc/23/69/66/240236966.db2.gz BMIFRCTVYFRYQM-UVTDQMKNSA-N -2 3 342.395 3.136 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000336862532 154220635 /nfs/dbraw/zinc/22/06/35/154220635.db2.gz FQWHUVVWZAZACA-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000341052880 155129882 /nfs/dbraw/zinc/12/98/82/155129882.db2.gz SRWZZUAZSLSEJO-ARJAWSKDSA-N -2 3 346.408 3.185 20 0 EGADHL Cc1nc(C=Cc2ccc(OCC3CC3)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107484 156355086 /nfs/dbraw/zinc/35/50/86/156355086.db2.gz JYOJQJJTIATUDD-TWGQIWQCSA-N -2 3 340.379 3.077 20 0 EGADHL Cc1nc(C=Cc2ccc(C(F)(F)F)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105822 156355215 /nfs/dbraw/zinc/35/52/15/156355215.db2.gz HNYITXOPZSMDKF-HWKANZROSA-N -2 3 344.314 3.368 20 0 EGADHL CCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000360537073 167353027 /nfs/dbraw/zinc/35/30/27/167353027.db2.gz ZPDAEDVYTPESMT-ZDUSSCGKSA-N -2 3 341.816 3.025 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(C(F)(F)F)cc1 ZINC000127894505 307592247 /nfs/dbraw/zinc/59/22/47/307592247.db2.gz CVCPLLMEQFTYOG-UHFFFAOYSA-N -2 3 335.278 3.351 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc(C(=O)[O-])c1C ZINC000471119169 310733780 /nfs/dbraw/zinc/73/37/80/310733780.db2.gz PGYQMIAYQFFNSN-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL O=C(/C=C\c1cncc([O-])c1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000492393690 311245855 /nfs/dbraw/zinc/24/58/55/311245855.db2.gz DWVWHRPWRWSPPD-UPHRSURJSA-N -2 3 325.151 3.452 20 0 EGADHL CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1F ZINC000507615745 312079323 /nfs/dbraw/zinc/07/93/23/312079323.db2.gz ZUSMDYWZUBGXAN-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)n[n-]2)o1 ZINC000178232750 323354060 /nfs/dbraw/zinc/35/40/60/323354060.db2.gz GJFBLVYPZMOUBB-UHFFFAOYSA-N -2 3 325.324 3.237 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)[n-]n2)o1 ZINC000178232750 323354064 /nfs/dbraw/zinc/35/40/64/323354064.db2.gz GJFBLVYPZMOUBB-UHFFFAOYSA-N -2 3 325.324 3.237 20 0 EGADHL CC[C@H](C)c1n[n-]c([C@@H](C)N=c2nc(-c3ccccc3)[n-]s2)n1 ZINC000581226721 325342822 /nfs/dbraw/zinc/34/28/22/325342822.db2.gz RLBZQANUQNBBTH-WDEREUQCSA-N -2 3 328.445 3.432 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000006508572 452948374 /nfs/dbraw/zinc/94/83/74/452948374.db2.gz HHTFKNORZHZAQC-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(F)c1 ZINC000008106110 453160420 /nfs/dbraw/zinc/16/04/20/453160420.db2.gz YHRYICJMAZPHHS-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000013348974 453460970 /nfs/dbraw/zinc/46/09/70/453460970.db2.gz SZWYWJMVKWSQQG-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000032098328 453864651 /nfs/dbraw/zinc/86/46/51/453864651.db2.gz MUNQHACUNBJMLL-UHFFFAOYSA-N -2 3 349.408 3.152 20 0 EGADHL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000032586064 453878625 /nfs/dbraw/zinc/87/86/25/453878625.db2.gz ONRGDZYPYGAODD-UHFFFAOYSA-N -2 3 349.408 3.074 20 0 EGADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1c[n-]nc1-c1ccccc1 ZINC000079899827 454495930 /nfs/dbraw/zinc/49/59/30/454495930.db2.gz HYRLIJHVWZXCQS-UHFFFAOYSA-N -2 3 347.334 3.085 20 0 EGADHL CCOc1ccccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000347392471 457398828 /nfs/dbraw/zinc/39/88/28/457398828.db2.gz RDSNDXVCXDDHFZ-NTMALXAHSA-N -2 3 328.368 3.077 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000436649987 458353322 /nfs/dbraw/zinc/35/33/22/458353322.db2.gz YHLMNCPMJGJXEL-UHFFFAOYSA-N -2 3 336.347 3.079 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000436649987 458353325 /nfs/dbraw/zinc/35/33/25/458353325.db2.gz YHLMNCPMJGJXEL-UHFFFAOYSA-N -2 3 336.347 3.079 20 0 EGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000532279173 459059378 /nfs/dbraw/zinc/05/93/78/459059378.db2.gz BOOUUQAPZWEUBJ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CC1(C)CCc2cc(C=Cc3ncc(C(=O)[O-])c(=O)[n-]3)ccc2O1 ZINC000637794749 461722317 /nfs/dbraw/zinc/72/23/17/461722317.db2.gz BNZGGGOTULDSFF-GQCTYLIASA-N -2 3 326.352 3.154 20 0 EGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000656620789 461810185 /nfs/dbraw/zinc/81/01/85/461810185.db2.gz HSIKIBDXELGHGF-HNNXBMFYSA-N -2 3 347.864 3.383 20 0 EGADHL O=C([O-])c1cnc(C=Cc2nc(-c3ccccc3)cs2)[n-]c1=O ZINC000670370099 548202360 /nfs/dbraw/zinc/20/23/60/548202360.db2.gz XISKWMJSSZNHFV-SREVYHEPSA-N -2 3 325.349 3.174 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc([O-])c(F)c1 ZINC000681059504 549949140 /nfs/dbraw/zinc/94/91/40/549949140.db2.gz VBNCJQHVRXXCOL-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL Cc1cc([C@H](C)OC(=O)c2cc(-c3ccco3)[n-]n2)oc1C(=O)[O-] ZINC000832877323 604561499 /nfs/dbraw/zinc/56/14/99/604561499.db2.gz XIFINYHECRTBBT-VIFPVBQESA-N -2 3 330.296 3.187 20 0 EGADHL Cc1cc([C@H](C)OC(=O)c2cc(-c3ccco3)n[n-]2)oc1C(=O)[O-] ZINC000832877323 604561502 /nfs/dbraw/zinc/56/15/02/604561502.db2.gz XIFINYHECRTBBT-VIFPVBQESA-N -2 3 330.296 3.187 20 0 EGADHL Cc1cccc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1[O-] ZINC000902822132 1317620178 /nfs/dbraw/zinc/62/01/78/1317620178.db2.gz QOZIEMAUFOOVBB-AWEZNQCLSA-N -2 3 339.391 3.385 20 0 EGADHL O=C(C=C([O-])c1ccc(Cl)cc1)CCC(=O)Nc1cncc([O-])c1 ZINC001184114622 1387394627 /nfs/dbraw/zinc/39/46/27/1387394627.db2.gz HMDMHRPCPBWGGS-UHFFFAOYSA-N -2 3 346.770 3.001 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc(Cl)nc1 ZINC001185679452 1387775389 /nfs/dbraw/zinc/77/53/89/1387775389.db2.gz MJOQDPVJGXIZBS-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL O=C(Nc1ncc([O-])cc1Br)c1cccc([S-])c1 ZINC001186130283 1387875965 /nfs/dbraw/zinc/87/59/65/1387875965.db2.gz LJWRALFVLYJSSC-UHFFFAOYSA-N -2 3 325.187 3.091 20 0 EGADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc2c(s1)CCCC2 ZINC001187188942 1388067901 /nfs/dbraw/zinc/06/79/01/1388067901.db2.gz NBSUKWVGLKGQGT-UHFFFAOYSA-N -2 3 344.845 3.182 20 0 EGADHL CS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)c([O-])c2F)c1 ZINC001214803728 1373121859 /nfs/dbraw/zinc/12/18/59/1373121859.db2.gz FZYWKNKFSRQJLV-UHFFFAOYSA-N -2 3 331.752 3.037 20 0 EGADHL Cc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594036 1375449708 /nfs/dbraw/zinc/44/97/08/1375449708.db2.gz KMVJFUJQKKHAGU-MRVPVSSYSA-N -2 3 349.188 3.269 20 0 EGADHL O=C([O-])c1cncc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001175842536 1385419932 /nfs/dbraw/zinc/41/99/32/1385419932.db2.gz LUAACUIBLTUUJV-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013345767 957033663 /nfs/dbraw/zinc/03/36/63/957033663.db2.gz GSKJJZATOPEITJ-UHFFFAOYSA-N -2 3 335.381 3.015 20 0 EGADHL CC(C)c1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c([O-])c1 ZINC001591942344 976468410 /nfs/dbraw/zinc/46/84/10/976468410.db2.gz PQBUIEUKWUZHLG-UHFFFAOYSA-N -2 3 339.391 3.412 20 0 EGADHL CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc([O-])c1Cl ZINC001598524172 992697610 /nfs/dbraw/zinc/69/76/10/992697610.db2.gz OEGXZGWXHRVTAZ-UHFFFAOYSA-N -2 3 335.787 3.141 20 0 EGADHL C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC(C)(C)C1 ZINC001594236634 998902188 /nfs/dbraw/zinc/90/21/88/998902188.db2.gz RSRKXFMMSOLWOG-NEPJUHHUSA-N -2 3 343.445 3.109 20 0 EGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000347899449 141212712 /nfs/dbraw/zinc/21/27/12/141212712.db2.gz QHSVQLYZRVQNQW-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1nc(C=Cc2cccc3ccccc23)[n-]c(=O)c1CCC(=O)[O-] ZINC000193404637 266030056 /nfs/dbraw/zinc/03/00/56/266030056.db2.gz WZQSDGKFDOSGBM-PKNBQFBNSA-N -2 3 334.375 3.419 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)c1C(=O)[O-] ZINC000156254547 307829630 /nfs/dbraw/zinc/82/96/30/307829630.db2.gz XBZQXNHMXPOVTN-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000537402348 314178512 /nfs/dbraw/zinc/17/85/12/314178512.db2.gz HQIQHIVUQASDQO-UHFFFAOYSA-N -2 3 345.351 3.139 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)c1 ZINC000548266277 314987566 /nfs/dbraw/zinc/98/75/66/314987566.db2.gz RUBIBTHYKBBYAQ-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000605492087 460592608 /nfs/dbraw/zinc/59/26/08/460592608.db2.gz AZASGWHEBXETKH-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL CC(C)c1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c([O-])c1 ZINC000066640008 453858415 /nfs/dbraw/zinc/85/84/15/453858415.db2.gz HXNGESASBSHTMF-UHFFFAOYSA-N -2 3 334.445 3.281 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC000042122873 453996406 /nfs/dbraw/zinc/99/64/06/453996406.db2.gz YUTMERNSPLEMIJ-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000057123665 454103196 /nfs/dbraw/zinc/10/31/96/454103196.db2.gz RVALFEYAAICMDR-GFCCVEGCSA-N -2 3 349.408 3.363 20 0 EGADHL COc1cc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1[O-] ZINC000096400931 454321149 /nfs/dbraw/zinc/32/11/49/454321149.db2.gz DJEVCOVAWPBIKU-VFFGBVLKSA-N -2 3 342.347 3.149 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(CC(=O)[O-])cc2)CC)n1 ZINC000629075926 460640556 /nfs/dbraw/zinc/64/05/56/460640556.db2.gz NBVLRUXUXDBJNZ-XNTDXEJSSA-N -2 3 326.396 3.300 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000152918791 454741940 /nfs/dbraw/zinc/74/19/40/454741940.db2.gz LOVSHOKFGWKSDB-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000152968408 454747447 /nfs/dbraw/zinc/74/74/47/454747447.db2.gz AGQMPIQPHFZTTR-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000324999767 456676560 /nfs/dbraw/zinc/67/65/60/456676560.db2.gz ZCGMGGDTIGJHHL-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL Cc1nc(C=Cc2ccccc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000347410082 457409674 /nfs/dbraw/zinc/40/96/74/457409674.db2.gz AVDGSXNDVCFJJT-SREVYHEPSA-N -2 3 338.285 3.307 20 0 EGADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000471114277 458678994 /nfs/dbraw/zinc/67/89/94/458678994.db2.gz DQKISTPESYZFMD-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C(=O)[O-] ZINC000532024999 459018750 /nfs/dbraw/zinc/01/87/50/459018750.db2.gz LPTRWDKSNWAALK-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)oc1C(=O)[O-] ZINC000663428598 461637820 /nfs/dbraw/zinc/63/78/20/461637820.db2.gz SZTMOTQQRVUZDS-LBPRGKRZSA-N -2 3 341.429 3.068 20 0 EGADHL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1C ZINC000675093496 548843409 /nfs/dbraw/zinc/84/34/09/548843409.db2.gz PUNHUFSBFGJJRO-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1C(=O)[O-] ZINC000680809826 549912632 /nfs/dbraw/zinc/91/26/32/549912632.db2.gz QWVKTCMSKHPHDW-UHFFFAOYSA-N -2 3 349.408 3.070 20 0 EGADHL CCCCn1c(=O)[n-]nc1S[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737009906 576078886 /nfs/dbraw/zinc/07/88/86/576078886.db2.gz UTAKUOTUNPDYNN-LLVKDONJSA-N -2 3 341.820 3.355 20 0 EGADHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccccc1[O-] ZINC000739436947 576411292 /nfs/dbraw/zinc/41/12/92/576411292.db2.gz XDMYCDFQCZYABH-UHFFFAOYSA-N -2 3 327.361 3.235 20 0 EGADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000032098421 601322253 /nfs/dbraw/zinc/32/22/53/601322253.db2.gz SZXOTDKQUCEDBH-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL Cc1sc([N-]S(=O)(=O)Cc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000833758021 605303029 /nfs/dbraw/zinc/30/30/29/605303029.db2.gz IPVIETHOXLPCEW-UHFFFAOYSA-N -2 3 343.401 3.144 20 0 EGADHL Cc1sc([N-]S(=O)(=O)Cc2cccc(F)c2)c(C(=O)[O-])c1C ZINC000833758241 605303050 /nfs/dbraw/zinc/30/30/50/605303050.db2.gz SUIPMGGXAWQGTH-UHFFFAOYSA-N -2 3 343.401 3.144 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(Cl)nc1Cl ZINC000179331986 1294785820 /nfs/dbraw/zinc/78/58/20/1294785820.db2.gz DYBXGPCECGYRMO-UHFFFAOYSA-N -2 3 337.159 3.034 20 0 EGADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263466380 1296684555 /nfs/dbraw/zinc/68/45/55/1296684555.db2.gz WSNDTKJWUWSFDU-KRWDZBQOSA-N -2 3 339.391 3.062 20 0 EGADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908607502 1318372783 /nfs/dbraw/zinc/37/27/83/1318372783.db2.gz HLWAOJILRANMAC-BPUTZDHNSA-N -2 3 349.402 3.098 20 0 EGADHL O=C(Nc1ncccc1[O-])c1cc(Br)ccc1[S-] ZINC001189952222 1367138445 /nfs/dbraw/zinc/13/84/45/1367138445.db2.gz VJJIRTRRWNWWOY-UHFFFAOYSA-N -2 3 325.187 3.091 20 0 EGADHL Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001201765042 1369619629 /nfs/dbraw/zinc/61/96/29/1369619629.db2.gz QBPPLDHVJVBRLZ-UHFFFAOYSA-N -2 3 339.225 3.265 20 0 EGADHL COc1ccc(C(=O)[O-])cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210255045 1372306531 /nfs/dbraw/zinc/30/65/31/1372306531.db2.gz VQTAZWLWIZMFMT-UHFFFAOYSA-N -2 3 325.324 3.028 20 0 EGADHL CCCCCc1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001189204450 1388483026 /nfs/dbraw/zinc/48/30/26/1388483026.db2.gz GWAHYEUIMVBHQS-UHFFFAOYSA-N -2 3 327.361 3.107 20 0 EGADHL O=C([O-])Cc1ccccc1NC(=O)c1cc2sccc2c([O-])c1 ZINC001595137208 952062177 /nfs/dbraw/zinc/06/21/77/952062177.db2.gz PLDGIKQQSGIAOC-UHFFFAOYSA-N -2 3 327.361 3.486 20 0 EGADHL O=C([O-])C1(C(=O)Nc2ccc(Br)cc2[O-])CCCCC1 ZINC001594869987 954344168 /nfs/dbraw/zinc/34/41/68/954344168.db2.gz QCWBWZPWRTWDTL-UHFFFAOYSA-N -2 3 342.189 3.128 20 0 EGADHL O=C([O-])C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC000391592226 972348197 /nfs/dbraw/zinc/34/81/97/972348197.db2.gz FUEWYHZLHOVFSR-JTQLQIEISA-N -2 3 331.755 3.264 20 0 EGADHL O=C([O-])c1ccc(Cl)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000391700602 972358141 /nfs/dbraw/zinc/35/81/41/972358141.db2.gz BCABFBAIVIHEOY-UHFFFAOYSA-N -2 3 342.738 3.132 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCCC2)c(F)cc1Cl ZINC001259212221 960661886 /nfs/dbraw/zinc/66/18/86/960661886.db2.gz JHHDUXWUOQAJBK-UHFFFAOYSA-N -2 3 349.811 3.178 20 0 EGADHL CC(C)c1ccc(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c([O-])c1 ZINC001591942207 976466750 /nfs/dbraw/zinc/46/67/50/976466750.db2.gz DSXFWJHSTXEMNE-UHFFFAOYSA-N -2 3 348.786 3.192 20 0 EGADHL CCOc1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)cc1F ZINC001597049590 986522588 /nfs/dbraw/zinc/52/25/88/986522588.db2.gz AZGPNWARAWPDHZ-UHFFFAOYSA-N -2 3 328.299 3.238 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)cc1 ZINC001597138024 986878985 /nfs/dbraw/zinc/87/89/85/986878985.db2.gz XJFFTWGWKWPZHJ-LBPRGKRZSA-N -2 3 349.408 3.074 20 0 EGADHL C[C@@H](C(=O)[O-])c1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC001589540231 987241787 /nfs/dbraw/zinc/24/17/87/987241787.db2.gz SJSICRHVVJHGIH-MRVPVSSYSA-N -2 3 341.289 3.001 20 0 EGADHL CC(C)(C)C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001589743711 988032158 /nfs/dbraw/zinc/03/21/58/988032158.db2.gz VYAOGLRTMIRQFO-LLVKDONJSA-N -2 3 335.297 3.062 20 0 EGADHL CC(C)(C)C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001589760027 988081061 /nfs/dbraw/zinc/08/10/61/988081061.db2.gz KPLLJHJWYXMMAA-CQSZACIVSA-N -2 3 326.364 3.287 20 0 EGADHL CSc1ccc([O-])c(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])c1 ZINC001599819816 988492381 /nfs/dbraw/zinc/49/23/81/988492381.db2.gz IYSUDWSAYHAENZ-UHFFFAOYSA-N -2 3 339.457 3.323 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000056695958 214385617 /nfs/dbraw/zinc/38/56/17/214385617.db2.gz UBUUYSGOHRNZMI-WTKPLQERSA-N -2 3 335.356 3.033 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(C)c1C(=O)[O-] ZINC000338124798 141096981 /nfs/dbraw/zinc/09/69/81/141096981.db2.gz BFLRASASHZLSJO-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Cl)cc1F ZINC000314297088 154154200 /nfs/dbraw/zinc/15/42/00/154154200.db2.gz HVKQXZCUYHUQBB-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1C(=O)[O-] ZINC000319639929 154161017 /nfs/dbraw/zinc/16/10/17/154161017.db2.gz OGNPGZYABYVISR-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(Cl)c1 ZINC000319027684 154161045 /nfs/dbraw/zinc/16/10/45/154161045.db2.gz RVTJKNLZAAEJFS-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Cl ZINC000336862410 154220592 /nfs/dbraw/zinc/22/05/92/154220592.db2.gz IVRWSDJJUVZEGX-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1cccs1 ZINC000237042562 286916798 /nfs/dbraw/zinc/91/67/98/286916798.db2.gz MZQQPZBBZWABEL-SNVBAGLBSA-N -2 3 343.426 3.086 20 0 EGADHL O=C([N-]c1cc(Cl)c([O-])cc1F)c1noc(-c2ccccc2)n1 ZINC000345605417 164225605 /nfs/dbraw/zinc/22/56/05/164225605.db2.gz JLVFXHWMQZQKMF-UHFFFAOYSA-N -2 3 333.706 3.487 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)c1 ZINC000359085961 167063194 /nfs/dbraw/zinc/06/31/94/167063194.db2.gz LAQNHQLEJMSQPB-UHFFFAOYSA-N -2 3 333.365 3.256 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cccc2c1N=S=N2 ZINC000131533404 307644957 /nfs/dbraw/zinc/64/49/57/307644957.db2.gz YCUOVVTVBQPTKO-UHFFFAOYSA-N -2 3 325.346 3.059 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000324614328 308769411 /nfs/dbraw/zinc/76/94/11/308769411.db2.gz NUWDXRCLVXUQCZ-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000391899969 308901706 /nfs/dbraw/zinc/90/17/06/308901706.db2.gz DHIOYPYQZZJTIB-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL Cc1ccccc1-c1cc(=NC(=O)c2ccc([O-])c(Cl)c2)[nH][n-]1 ZINC000436623105 309765063 /nfs/dbraw/zinc/76/50/63/309765063.db2.gz HLLJAEXMYNGGGM-UHFFFAOYSA-N -2 3 327.771 3.418 20 0 EGADHL CCc1cccc(F)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443438882 309901151 /nfs/dbraw/zinc/90/11/51/309901151.db2.gz APOSZHZPODIMJO-VQHVLOKHSA-N -2 3 330.359 3.380 20 0 EGADHL O=C(Nc1cc(F)ccc1[O-])c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000562494202 315841293 /nfs/dbraw/zinc/84/12/93/315841293.db2.gz YBCLHVMDBQTIDT-UHFFFAOYSA-N -2 3 347.733 3.328 20 0 EGADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](CC2CCC2)c2ccccc2)c1 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EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1C ZINC000132952806 1293733210 /nfs/dbraw/zinc/73/32/10/1293733210.db2.gz YZIGMUGUODOCPZ-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(Cl)ncc1Cl ZINC000158106124 1294196014 /nfs/dbraw/zinc/19/60/14/1294196014.db2.gz PVIIGKRUPPOVON-UHFFFAOYSA-N -2 3 334.166 3.089 20 0 EGADHL CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000814195299 1318696897 /nfs/dbraw/zinc/69/68/97/1318696897.db2.gz YOXBVWIJYWNXNY-UHFFFAOYSA-N -2 3 349.399 3.014 20 0 EGADHL CCCCc1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1 ZINC001200392860 1369359965 /nfs/dbraw/zinc/35/99/65/1369359965.db2.gz VXJCHPRDAYVSFU-UHFFFAOYSA-N -2 3 344.417 3.274 20 0 EGADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncc([O-])cc2Cl)c1 ZINC001191157620 1367435246 /nfs/dbraw/zinc/43/52/46/1367435246.db2.gz GWTNNTFMDMUENV-UHFFFAOYSA-N -2 3 349.799 3.098 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)cnc1Cl ZINC001192571507 1367821729 /nfs/dbraw/zinc/82/17/29/1367821729.db2.gz HCTUPPMUWQMBNU-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc([O-])c(F)c1F ZINC001192840621 1367886120 /nfs/dbraw/zinc/88/61/20/1367886120.db2.gz UQMCKZOOPGTKCO-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL O=C([O-])c1c(F)ccc([N-]c2nnc(Br)s2)c1F ZINC001215266598 1373192156 /nfs/dbraw/zinc/19/21/56/1373192156.db2.gz XXAGRWUSRHFQAF-UHFFFAOYSA-N -2 3 336.117 3.021 20 0 EGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1c(Cl)cncc1Cl ZINC001225019058 1375089625 /nfs/dbraw/zinc/08/96/25/1375089625.db2.gz PWFCJNHBJPMOBP-QMMMGPOBSA-N -2 3 328.132 3.424 20 0 EGADHL CC(C)c1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001167936300 1383772332 /nfs/dbraw/zinc/77/23/32/1383772332.db2.gz YQTBIJIGWCNGHP-UHFFFAOYSA-N -2 3 332.340 3.290 20 0 EGADHL Cc1oc(CN(C)C(=O)CCCc2ccc([O-])c(F)c2)cc1C(=O)[O-] ZINC001339508809 1390050647 /nfs/dbraw/zinc/05/06/47/1390050647.db2.gz IAIADWIZTLYGCL-UHFFFAOYSA-N -2 3 349.358 3.112 20 0 EGADHL O=C([O-])C1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCCC1 ZINC001594719940 956967964 /nfs/dbraw/zinc/96/79/64/956967964.db2.gz SFNZTAGOSYASSI-UHFFFAOYSA-N -2 3 341.363 3.312 20 0 EGADHL O=C([O-])[C@H](Sc1nnc([N-]c2ccccc2F)s1)C1CC1 ZINC001605909677 972765959 /nfs/dbraw/zinc/76/59/59/972765959.db2.gz HJZMEXVLCMLJNF-SNVBAGLBSA-N -2 3 325.390 3.376 20 0 EGADHL Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1C(=O)[O-] ZINC001605192696 972913212 /nfs/dbraw/zinc/91/32/12/972913212.db2.gz KXSFHLOPHAJHNX-UHFFFAOYSA-N -2 3 331.343 3.499 20 0 EGADHL CC(C)[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001591837483 976114109 /nfs/dbraw/zinc/11/41/09/976114109.db2.gz MQOJOFBPGYIOKX-MRXNPFEDSA-N -2 3 329.352 3.024 20 0 EGADHL O=C([O-])C1(CNC(=O)CCCc2ccc([O-])c(F)c2)CCCCC1 ZINC000909524297 981529780 /nfs/dbraw/zinc/52/97/80/981529780.db2.gz VDEMRAXYHROWCD-UHFFFAOYSA-N -2 3 337.391 3.005 20 0 EGADHL CC(C)(C)C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC001589751018 988047631 /nfs/dbraw/zinc/04/76/31/988047631.db2.gz FUYISJFLXMLBRM-LLVKDONJSA-N -2 3 333.306 3.030 20 0 EGADHL CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c([O-])c1 ZINC001597502436 988067699 /nfs/dbraw/zinc/06/76/99/988067699.db2.gz BEQSNLURGFBLPK-UHFFFAOYSA-N -2 3 336.347 3.453 20 0 EGADHL CCc1cccc(C(=O)[O-])c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001597571683 988351760 /nfs/dbraw/zinc/35/17/60/988351760.db2.gz FRLGVCGAQHPBLU-UHFFFAOYSA-N -2 3 336.347 3.041 20 0 EGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055558776 214330021 /nfs/dbraw/zinc/33/00/21/214330021.db2.gz VOIMLNAYPSNOFX-UHFFFAOYSA-N -2 3 345.420 3.291 20 0 EGADHL C[C@@H](CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000336867830 154222470 /nfs/dbraw/zinc/22/24/70/154222470.db2.gz PGGBJPCANJMNSC-NSHDSACASA-N -2 3 337.372 3.069 20 0 EGADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(Br)c([O-])c1 ZINC000344407234 164171208 /nfs/dbraw/zinc/17/12/08/164171208.db2.gz QIGUKVDJTPZULC-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL Cc1oc2ccccc2c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503665 266184904 /nfs/dbraw/zinc/18/49/04/266184904.db2.gz QFVHPZNOAMUBBJ-VQHVLOKHSA-N -2 3 338.363 3.321 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)c1O ZINC000512761586 312194414 /nfs/dbraw/zinc/19/44/14/312194414.db2.gz DXFMRSXJUVPSIO-UHFFFAOYSA-N -2 3 349.408 3.125 20 0 EGADHL COc1ccc(C(=O)Nc2ccc(Br)cc2[O-])c([O-])c1 ZINC000536703245 314139839 /nfs/dbraw/zinc/13/98/39/314139839.db2.gz USUPJRKAFVOFSO-UHFFFAOYSA-N -2 3 338.157 3.121 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000536903485 314153542 /nfs/dbraw/zinc/15/35/42/314153542.db2.gz CUIXIQDEELRECA-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(CC(F)(F)F)cc1 ZINC000189317593 323779472 /nfs/dbraw/zinc/77/94/72/323779472.db2.gz WKICAIOPRRBYIG-UHFFFAOYSA-N -2 3 349.305 3.437 20 0 EGADHL CSc1ccccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000575789748 324480027 /nfs/dbraw/zinc/48/00/27/324480027.db2.gz SICBUEDDDRYIMU-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000007402754 453071189 /nfs/dbraw/zinc/07/11/89/453071189.db2.gz WFCKIPWLTYIGOF-UHFFFAOYSA-N -2 3 325.773 3.147 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000012771820 453402719 /nfs/dbraw/zinc/40/27/19/453402719.db2.gz LQFXABNVOHTSMM-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)[O-] ZINC000045946616 454198617 /nfs/dbraw/zinc/19/86/17/454198617.db2.gz YKGUGYKHYJAAEQ-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000071415437 454205964 /nfs/dbraw/zinc/20/59/64/454205964.db2.gz SLKYPFWCZDWETG-UHFFFAOYSA-N -2 3 349.792 3.348 20 0 EGADHL COc1cc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)ccc1[O-] ZINC000096313959 454318054 /nfs/dbraw/zinc/31/80/54/454318054.db2.gz VVUJMSSYVPJUBJ-ALCCZGGFSA-N -2 3 342.347 3.150 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1CC ZINC000185569174 455579864 /nfs/dbraw/zinc/57/98/64/455579864.db2.gz GUTRCZUGIMONHA-UHFFFAOYSA-N -2 3 347.436 3.239 20 0 EGADHL CSc1nc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)n[n-]1 ZINC000340268442 456351898 /nfs/dbraw/zinc/35/18/98/456351898.db2.gz XLRZRQYOOHEUOG-UHFFFAOYSA-N -2 3 341.805 3.149 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1F ZINC000326958666 456702354 /nfs/dbraw/zinc/70/23/54/456702354.db2.gz CGNGDHDXFVZYHX-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL O=S(=O)([N-]c1cccc(F)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479294 458310957 /nfs/dbraw/zinc/31/09/57/458310957.db2.gz QDURFBCVZUWXOB-UHFFFAOYSA-N -2 3 335.278 3.351 20 0 EGADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000547548410 458760280 /nfs/dbraw/zinc/76/02/80/458760280.db2.gz HVQLKUKZFJKDBI-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547902450 458809519 /nfs/dbraw/zinc/80/95/19/458809519.db2.gz JDMJDEMVTJENNT-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000474308350 458876426 /nfs/dbraw/zinc/87/64/26/458876426.db2.gz BTWDVYCHVQPANI-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CC(C)c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c([O-])c1 ZINC000591830188 459450555 /nfs/dbraw/zinc/45/05/55/459450555.db2.gz IWOPPLQQXSRSAY-UHFFFAOYSA-N -2 3 339.351 3.111 20 0 EGADHL CC(C)Cc1nc(=NC(=O)c2cc([O-])ccc2C(F)(F)F)s[n-]1 ZINC000622163170 460208024 /nfs/dbraw/zinc/20/80/24/460208024.db2.gz KYHATNXWMFNKIA-UHFFFAOYSA-N -2 3 345.346 3.135 20 0 EGADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc2ccsc2[n-]1 ZINC000600180521 460423991 /nfs/dbraw/zinc/42/39/91/460423991.db2.gz JHDKQJZAKLLILF-UHFFFAOYSA-N -2 3 340.433 3.346 20 0 EGADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)cccc1[O-])C1CCCCC1 ZINC000656624396 461809536 /nfs/dbraw/zinc/80/95/36/461809536.db2.gz NVCGNOFLOFDOBR-OAHLLOKOSA-N -2 3 327.446 3.038 20 0 EGADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1cccs1 ZINC000645956489 462478512 /nfs/dbraw/zinc/47/85/12/462478512.db2.gz RMPZHSBUVZGALG-LLVKDONJSA-N -2 3 343.426 3.105 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(F)c1 ZINC000388027365 547825382 /nfs/dbraw/zinc/82/53/82/547825382.db2.gz KKBDUGVGQYNQSQ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC000678478487 549505185 /nfs/dbraw/zinc/50/51/85/549505185.db2.gz KCUPZKAQJFZHRA-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1C(=O)[O-] ZINC000738746328 576358559 /nfs/dbraw/zinc/35/85/59/576358559.db2.gz WZVVNZQMOKRFQL-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)n[n-]2)o1 ZINC000832905912 601111244 /nfs/dbraw/zinc/11/12/44/601111244.db2.gz KUBUHLMCKHHLLO-HNNXBMFYSA-N -2 3 344.298 3.100 20 0 EGADHL C[C@H](Sc1ccccc1C(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000827915031 604370327 /nfs/dbraw/zinc/37/03/27/604370327.db2.gz KGKRQEWQMJTEAN-JTQLQIEISA-N -2 3 349.383 3.027 20 0 EGADHL O=C(Nc1c([O-])cccc1Cl)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000816769011 1319219181 /nfs/dbraw/zinc/21/91/81/1319219181.db2.gz QNJYQOVVWJUDHI-UHFFFAOYSA-N -2 3 347.783 3.235 20 0 EGADHL CSc1ncc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c(=O)[n-]1 ZINC001191437439 1367503440 /nfs/dbraw/zinc/50/34/40/1367503440.db2.gz JTBYWKGAQBBFGD-UHFFFAOYSA-N -2 3 346.195 3.169 20 0 EGADHL O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1cc(F)ccc1[O-] ZINC001191898428 1367630331 /nfs/dbraw/zinc/63/03/31/1367630331.db2.gz TXXMRFBXQZJQOQ-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)cc1Cl ZINC001198782533 1369113756 /nfs/dbraw/zinc/11/37/56/1369113756.db2.gz KUTIBJXDIJPNSR-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL COc1ccc(Nc2ccc(Cl)c([O-])c2)c(S(=O)(=O)[O-])c1 ZINC001212593344 1372735102 /nfs/dbraw/zinc/73/51/02/1372735102.db2.gz MKVLQQFSXRYHGW-UHFFFAOYSA-N -2 3 329.761 3.045 20 0 EGADHL O=C([O-])CCC(=O)Nc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213189243 1372856449 /nfs/dbraw/zinc/85/64/49/1372856449.db2.gz DOGFHWNEGLIBNI-UHFFFAOYSA-N -2 3 336.294 3.217 20 0 EGADHL O=c1[n-]cnc(Nc2cc(F)c([O-])c(Cl)c2)c1Br ZINC001214485218 1373069132 /nfs/dbraw/zinc/06/91/32/1373069132.db2.gz XCFCQPQBHHJPJY-UHFFFAOYSA-N -2 3 334.532 3.186 20 0 EGADHL O=C([O-])c1cc(F)c(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(F)c1 ZINC001222386055 1373832202 /nfs/dbraw/zinc/83/22/02/1373832202.db2.gz IAHYIIYHTLLDLN-UHFFFAOYSA-N -2 3 336.241 3.428 20 0 EGADHL Cc1ccc(COc2nc3ncnc-3c([S-])[n-]2)c(OC(C)C)c1 ZINC001226781677 1375332418 /nfs/dbraw/zinc/33/24/18/1375332418.db2.gz LEJFOGORTZZPSY-UHFFFAOYSA-N -2 3 330.413 3.316 20 0 EGADHL O=C(Nc1ccc(F)c([O-])c1)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153904493 1380153143 /nfs/dbraw/zinc/15/31/43/1380153143.db2.gz UNFQCDPMAMPHAJ-UHFFFAOYSA-N -2 3 332.718 3.279 20 0 EGADHL O=C([O-])C1(C(=O)Nc2cc(Br)ccc2[O-])CCCCC1 ZINC001180439515 1386797254 /nfs/dbraw/zinc/79/72/54/1386797254.db2.gz YKRIEENSBHJJJW-UHFFFAOYSA-N -2 3 342.189 3.128 20 0 EGADHL O=C([O-])c1cc(F)ccc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000323925050 971058868 /nfs/dbraw/zinc/05/88/68/971058868.db2.gz WTTNCQJBFDHGAS-UHFFFAOYSA-N -2 3 326.283 3.030 20 0 EGADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001589435310 954683514 /nfs/dbraw/zinc/68/35/14/954683514.db2.gz GJBCRBKDOYFGGT-KRWDZBQOSA-N -2 3 341.407 3.113 20 0 EGADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)c2ccccc21 ZINC001594727812 957022419 /nfs/dbraw/zinc/02/24/19/957022419.db2.gz VNIJHEPVLWGXCD-WFASDCNBSA-N -2 3 331.755 3.089 20 0 EGADHL CCCC[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C(=O)[O-] ZINC001595644585 981979693 /nfs/dbraw/zinc/97/96/93/981979693.db2.gz GYLBLESQOCQJHZ-JTQLQIEISA-N -2 3 326.299 3.301 20 0 EGADHL CSc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C(=O)[O-] ZINC001599815702 988419025 /nfs/dbraw/zinc/41/90/25/988419025.db2.gz RVZPBMFPCADOON-UHFFFAOYSA-N -2 3 335.356 3.133 20 0 EGADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000056688221 214383677 /nfs/dbraw/zinc/38/36/77/214383677.db2.gz VHROFKOLPGROOI-WDZFZDKYSA-N -2 3 343.404 3.074 20 0 EGADHL COc1cc2nc(-c3cc([O-])cc(Cl)c3)[n-]c(=O)c2cc1OC ZINC000352207478 165286033 /nfs/dbraw/zinc/28/60/33/165286033.db2.gz YIQZJHNMVZVIBG-UHFFFAOYSA-N -2 3 332.743 3.379 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1F ZINC000180017504 265394619 /nfs/dbraw/zinc/39/46/19/265394619.db2.gz UBMPNRTWSUGJEN-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000572787003 317391660 /nfs/dbraw/zinc/39/16/60/317391660.db2.gz BWIBQIUWDYQGAH-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Cl)cc3[O-])cc2=O)cc1 ZINC000179642253 323398477 /nfs/dbraw/zinc/39/84/77/323398477.db2.gz FGQUFOHTNSOOLR-UHFFFAOYSA-N -2 3 343.770 3.085 20 0 EGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000388815377 324277146 /nfs/dbraw/zinc/27/71/46/324277146.db2.gz ANKPIGBPVNYIFK-UHFFFAOYSA-N -2 3 339.800 3.456 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000013027327 453439466 /nfs/dbraw/zinc/43/94/66/453439466.db2.gz QZNPLDLVILWDEH-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000024432898 453733211 /nfs/dbraw/zinc/73/32/11/453733211.db2.gz FZMUURYZFPYZES-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3F)c1)CCCC2 ZINC000055548873 453994145 /nfs/dbraw/zinc/99/41/45/453994145.db2.gz NBQPVSRCOFPROI-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000055687838 454006394 /nfs/dbraw/zinc/00/63/94/454006394.db2.gz JLNHZWHQGOISOU-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL O=C([O-])c1cccc(Cc2nc(=O)c3c4ccccc4sc3[n-]2)c1 ZINC000077491573 454112959 /nfs/dbraw/zinc/11/29/59/454112959.db2.gz IQQVHEYSFFPYAV-UHFFFAOYSA-N -2 3 336.372 3.427 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000045945793 454199552 /nfs/dbraw/zinc/19/95/52/454199552.db2.gz HYKCVEOSGRESPT-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000047454375 454374378 /nfs/dbraw/zinc/37/43/78/454374378.db2.gz GYUFHOWXQCCZDO-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL CCc1cccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1 ZINC000152924507 454742662 /nfs/dbraw/zinc/74/26/62/454742662.db2.gz MYJMAMXVGAHDIU-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(C)s1 ZINC000315030956 456606368 /nfs/dbraw/zinc/60/63/68/456606368.db2.gz GTJNUXJCNAKUCM-UHFFFAOYSA-N -2 3 329.374 3.003 20 0 EGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1C ZINC000320590939 456631989 /nfs/dbraw/zinc/63/19/89/456631989.db2.gz ZFFISDJNFHNFIK-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C(Nc1cc(Cl)ccc1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000361915508 457952145 /nfs/dbraw/zinc/95/21/45/457952145.db2.gz IXJBSFFASKBGNL-UHFFFAOYSA-N -2 3 341.754 3.252 20 0 EGADHL O=C(Nc1cc(Cl)ccc1[O-])c1[n-]cnc1C(=O)c1ccccc1 ZINC000361915508 457952150 /nfs/dbraw/zinc/95/21/50/457952150.db2.gz IXJBSFFASKBGNL-UHFFFAOYSA-N -2 3 341.754 3.252 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c(C(=O)[O-])c1 ZINC000496085644 459062243 /nfs/dbraw/zinc/06/22/43/459062243.db2.gz BZLKLMCGUWNIEK-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)c([O-])c1 ZINC000573625389 459707003 /nfs/dbraw/zinc/70/70/03/459707003.db2.gz HRIQTBVLTKMQRG-LLVKDONJSA-N -2 3 332.327 3.312 20 0 EGADHL O=c1cc(CN=c2nc(C3CCCCC3)[n-]s2)nc(C2CCC2)[n-]1 ZINC000641681899 461317190 /nfs/dbraw/zinc/31/71/90/461317190.db2.gz VBEWEIUNRBVRAC-UHFFFAOYSA-N -2 3 345.472 3.383 20 0 EGADHL O=C([O-])c1cnc(-c2ccc(OC[C@H]3CCCCO3)cc2)c([O-])c1 ZINC000657204001 461988165 /nfs/dbraw/zinc/98/81/65/461988165.db2.gz AKAREMVAXAJJDE-OAHLLOKOSA-N -2 3 329.352 3.100 20 0 EGADHL CN(CCCC(=O)[O-])C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000737433235 576228387 /nfs/dbraw/zinc/22/83/87/576228387.db2.gz MBLRJJQMBGKWMW-UHFFFAOYSA-N -2 3 341.407 3.114 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)ccc1F ZINC000738251280 576305933 /nfs/dbraw/zinc/30/59/33/576305933.db2.gz HAPZIZIWWQCNGA-UHFFFAOYSA-N -2 3 338.360 3.049 20 0 EGADHL Cc1ccc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000738636570 576344385 /nfs/dbraw/zinc/34/43/85/576344385.db2.gz QVOXKVVSHREWSR-UHFFFAOYSA-N -2 3 349.333 3.096 20 0 EGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000740144431 576554264 /nfs/dbraw/zinc/55/42/64/576554264.db2.gz OOGMMDWSGSYUAJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc3c(cc1[O-])CCCC3)C2 ZINC000740200973 576564150 /nfs/dbraw/zinc/56/41/50/576564150.db2.gz QBABGRHZVCGKHD-UHFFFAOYSA-N -2 3 337.375 3.125 20 0 EGADHL C[C@@H](Sc1ccccc1C(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000827915032 604370618 /nfs/dbraw/zinc/37/06/18/604370618.db2.gz KGKRQEWQMJTEAN-SNVBAGLBSA-N -2 3 349.383 3.027 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC001184698936 1387512879 /nfs/dbraw/zinc/51/28/79/1387512879.db2.gz LUNYWVNGOCNIKK-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL O=S(=O)(CCCF)[N-]c1c([O-])cc(C(F)(F)F)cc1Cl ZINC001189919799 1367131410 /nfs/dbraw/zinc/13/14/10/1367131410.db2.gz MOYNENVUVVYNSH-UHFFFAOYSA-N -2 3 335.706 3.166 20 0 EGADHL O=C(Nc1cncc([O-])c1)c1cc(Br)ccc1[S-] ZINC001189951455 1367138468 /nfs/dbraw/zinc/13/84/68/1367138468.db2.gz OWYWHMDNWDKJLV-UHFFFAOYSA-N -2 3 325.187 3.091 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(C)c1C ZINC001186187959 1387892696 /nfs/dbraw/zinc/89/26/96/1387892696.db2.gz FATQJEORXSWKSU-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Cl)c2ccccc21 ZINC001200040178 1369306152 /nfs/dbraw/zinc/30/61/52/1369306152.db2.gz VNJQHEFVJUSLFG-UHFFFAOYSA-N -2 3 334.784 3.395 20 0 EGADHL O=C([O-])CCC(=O)Nc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001213196271 1372857764 /nfs/dbraw/zinc/85/77/64/1372857764.db2.gz GKBCJKUKPYNQNX-UHFFFAOYSA-N -2 3 336.294 3.217 20 0 EGADHL O=P([O-])([O-])CCCCOC1CCC(OCc2ccccc2)CC1 ZINC001225018933 1375089733 /nfs/dbraw/zinc/08/97/33/1375089733.db2.gz LYHFZGJJIMZTFK-UHFFFAOYSA-N -2 3 342.372 3.489 20 0 EGADHL FC(F)(F)[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1 ZINC001226780636 1375332654 /nfs/dbraw/zinc/33/26/54/1375332654.db2.gz RYQYUIPIGAZGPM-SECBINFHSA-N -2 3 326.303 3.324 20 0 EGADHL C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1cccs1 ZINC001227594258 1375449794 /nfs/dbraw/zinc/44/97/94/1375449794.db2.gz LRIRIBRKVPFEFG-RXMQYKEDSA-N -2 3 341.190 3.023 20 0 EGADHL O=C(Nc1cccc2c1C(=O)CCC2)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152680000 1379968707 /nfs/dbraw/zinc/96/87/07/1379968707.db2.gz IZTLOVVUGKDFBI-UHFFFAOYSA-N -2 3 348.358 3.417 20 0 EGADHL O=P([O-])([O-])C1(Nc2cccc(C3CC3)n2)Cc2ccccc2C1 ZINC001157165776 1380792075 /nfs/dbraw/zinc/79/20/75/1380792075.db2.gz SPFMFOLOLNLDSC-UHFFFAOYSA-N -2 3 330.324 3.044 20 0 EGADHL O=C(Nc1cccc([O-])c1Br)c1c(F)ccc([O-])c1F ZINC001158831890 1381422071 /nfs/dbraw/zinc/42/20/71/1381422071.db2.gz MLFMCCCJRDNWNO-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000327908447 971433457 /nfs/dbraw/zinc/43/34/57/971433457.db2.gz JNBLTQLYQGVEOF-MRXNPFEDSA-N -2 3 342.395 3.094 20 0 EGADHL CC(C)c1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001603100529 972176137 /nfs/dbraw/zinc/17/61/37/972176137.db2.gz PBXRBZVVYBEONH-FQEVSTJZSA-N -2 3 341.407 3.288 20 0 EGADHL Cc1ccccc1C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605351131 973255816 /nfs/dbraw/zinc/25/58/16/973255816.db2.gz NUFTVPNBCMAXFS-AWEZNQCLSA-N -2 3 337.297 3.168 20 0 EGADHL CCOc1cc(CNc2cccc(CC(=O)[O-])n2)cc(Cl)c1[O-] ZINC001597038341 986485021 /nfs/dbraw/zinc/48/50/21/986485021.db2.gz MYCHDKDBJMVNFQ-UHFFFAOYSA-N -2 3 336.775 3.079 20 0 EGADHL CCc1cccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC001597570711 988349046 /nfs/dbraw/zinc/34/90/46/988349046.db2.gz ZKZDAYPMHXAMJA-UHFFFAOYSA-N -2 3 341.407 3.462 20 0 EGADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC001597785238 989301267 /nfs/dbraw/zinc/30/12/67/989301267.db2.gz FDQADBLHZNXYOA-UHFFFAOYSA-N -2 3 343.788 3.303 20 0 EGADHL COc1ccc([O-])c(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)c1 ZINC001599598049 993775252 /nfs/dbraw/zinc/77/52/52/993775252.db2.gz CUTFHNQCRMNXSF-UHFFFAOYSA-N -2 3 339.706 3.144 20 0 EGADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1[O-] ZINC001599642679 994381115 /nfs/dbraw/zinc/38/11/15/994381115.db2.gz KILUFBSMCLZETE-UHFFFAOYSA-N -2 3 345.351 3.139 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCC(=O)[O-])c2)CC)n1 ZINC000193619079 240236668 /nfs/dbraw/zinc/23/66/68/240236668.db2.gz OCYFIESGFPUGPB-NTEUORMPSA-N -2 3 342.395 3.136 20 0 EGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000005132800 210397310 /nfs/dbraw/zinc/39/73/10/210397310.db2.gz RIAXGNLLDFQCBD-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000351824344 144312012 /nfs/dbraw/zinc/31/20/12/144312012.db2.gz XJTXCGXRJZWNLD-UHFFFAOYSA-N -2 3 345.376 3.060 20 0 EGADHL CCCCc1nnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000193922665 153314382 /nfs/dbraw/zinc/31/43/82/153314382.db2.gz VVBFMYQGBBTGBZ-UHFFFAOYSA-N -2 3 331.319 3.256 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c(C)c1 ZINC000110280202 275180490 /nfs/dbraw/zinc/18/04/90/275180490.db2.gz LOBYAJGRYRYING-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1 ZINC000072077938 307378973 /nfs/dbraw/zinc/37/89/73/307378973.db2.gz IGLSYZUQPGOMLE-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000324239521 308769071 /nfs/dbraw/zinc/76/90/71/308769071.db2.gz AULBQDWPQZRURL-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c([O-])c1 ZINC000436779690 309773654 /nfs/dbraw/zinc/77/36/54/309773654.db2.gz MDFSAJAMHUWHEA-AWEZNQCLSA-N -2 3 333.771 3.300 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000484569280 310966703 /nfs/dbraw/zinc/96/67/03/310966703.db2.gz KDCVYDPBEGQPNV-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000547551373 314915866 /nfs/dbraw/zinc/91/58/66/314915866.db2.gz SRBMJBMDEHNUBQ-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CC1(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)CCCCC1 ZINC000576770751 324679267 /nfs/dbraw/zinc/67/92/67/324679267.db2.gz NBSAAUBOBPCLTQ-UHFFFAOYSA-N -2 3 329.393 3.236 20 0 EGADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000013347273 453461151 /nfs/dbraw/zinc/46/11/51/453461151.db2.gz VHROFKOLPGROOI-IZZDOVSWSA-N -2 3 343.404 3.074 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000072003595 454265478 /nfs/dbraw/zinc/26/54/78/454265478.db2.gz UGQASEAYWCMJDP-UHFFFAOYSA-N -2 3 341.335 3.026 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000172605568 455164511 /nfs/dbraw/zinc/16/45/11/455164511.db2.gz IAGAOAIEUQJALP-UHFFFAOYSA-N -2 3 333.409 3.158 20 0 EGADHL CCOc1cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc(Cl)c1[O-] ZINC000263336698 456128627 /nfs/dbraw/zinc/12/86/27/456128627.db2.gz MPKKYLRVZZYFQT-PWSUYJOCSA-N -2 3 327.808 3.129 20 0 EGADHL O=C([O-])CCCCCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000276871649 456605805 /nfs/dbraw/zinc/60/58/05/456605805.db2.gz CWYPIBDVNSDJEJ-UHFFFAOYSA-N -2 3 331.434 3.153 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC000324544238 456668746 /nfs/dbraw/zinc/66/87/46/456668746.db2.gz SNEOPZBZCVSNHH-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000358862894 457010970 /nfs/dbraw/zinc/01/09/70/457010970.db2.gz YOOQJFKAGCSHIE-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C ZINC000342290526 457217118 /nfs/dbraw/zinc/21/71/18/457217118.db2.gz VXKFYICFXRKKPL-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL Cc1nc(C=Cc2cscc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000357086952 457315728 /nfs/dbraw/zinc/31/57/28/457315728.db2.gz VBPXJQVDOGQHRV-NSCUHMNNSA-N -2 3 344.314 3.368 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000436649030 458352960 /nfs/dbraw/zinc/35/29/60/458352960.db2.gz QPSANIKCGNLPAA-UHFFFAOYSA-N -2 3 325.324 3.220 20 0 EGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000436649030 458352963 /nfs/dbraw/zinc/35/29/63/458352963.db2.gz QPSANIKCGNLPAA-UHFFFAOYSA-N -2 3 325.324 3.220 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1c(F)ccc([O-])c1F ZINC000438918476 458629046 /nfs/dbraw/zinc/62/90/46/458629046.db2.gz LBLVTQWLYJVPIE-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000547546707 458759282 /nfs/dbraw/zinc/75/92/82/458759282.db2.gz OJAAGCFOZWWBTN-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000650391936 461740489 /nfs/dbraw/zinc/74/04/89/461740489.db2.gz HXNGJEGQAHQYBP-UHFFFAOYSA-N -2 3 345.726 3.041 20 0 EGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000654776034 462380047 /nfs/dbraw/zinc/38/00/47/462380047.db2.gz AHVNPPKLKQQDOQ-GFCCVEGCSA-N -2 3 333.475 3.006 20 0 EGADHL CCCCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000670369915 548202015 /nfs/dbraw/zinc/20/20/15/548202015.db2.gz KGIKWIMTIKKHHY-SOFGYWHQSA-N -2 3 344.367 3.238 20 0 EGADHL O=C([N-]c1nnc(Cc2ccccc2)s1)c1c(F)ccc([O-])c1F ZINC000685418753 550414567 /nfs/dbraw/zinc/41/45/67/550414567.db2.gz PZHBTZDXVVXSQG-UHFFFAOYSA-N -2 3 347.346 3.365 20 0 EGADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c([O-])c1 ZINC000776678799 600980155 /nfs/dbraw/zinc/98/01/55/600980155.db2.gz SHJWAUKIVCWUBG-AWEZNQCLSA-N -2 3 333.771 3.300 20 0 EGADHL O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000833311472 601335756 /nfs/dbraw/zinc/33/57/56/601335756.db2.gz SJYNAQNSRVNVRX-UHFFFAOYSA-N -2 3 336.141 3.105 20 0 EGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000096659356 601354975 /nfs/dbraw/zinc/35/49/75/601354975.db2.gz KAROKCXMDZFGLP-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL COc1cc(/C=C/C(=O)c2ccc([O-])c(C)c2)cc([N+](=O)[O-])c1[O-] ZINC000077166042 1292453802 /nfs/dbraw/zinc/45/38/02/1292453802.db2.gz AGQYGDKDKYEZOB-HWKANZROSA-N -2 3 329.308 3.219 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC000775668714 1304011057 /nfs/dbraw/zinc/01/10/57/1304011057.db2.gz IBVDLOTZZJTEBU-UHFFFAOYSA-N -2 3 329.377 3.355 20 0 EGADHL O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Br)c([O-])c1 ZINC000790055936 1306254191 /nfs/dbraw/zinc/25/41/91/1306254191.db2.gz IHAFWCSXCZIKFG-UHFFFAOYSA-N -2 3 343.564 3.161 20 0 EGADHL O=S(=O)([O-])c1cc([O-])c(N=C2CCSCC2)c2ccccc21 ZINC001201342352 1369523698 /nfs/dbraw/zinc/52/36/98/1369523698.db2.gz MDAPDLQJRGHDSM-UHFFFAOYSA-N -2 3 337.422 3.225 20 0 EGADHL O=C([O-])c1c(F)cc(Nc2ncc(Br)cc2[O-])cc1F ZINC001203316717 1370080112 /nfs/dbraw/zinc/08/01/12/1370080112.db2.gz SRFRGYNAXRCAHH-UHFFFAOYSA-N -2 3 345.099 3.270 20 0 EGADHL O=C([O-])c1ccc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001210176688 1372288209 /nfs/dbraw/zinc/28/82/09/1372288209.db2.gz GGPPBCKYPDGNRY-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL CN(C)c1nc(Nc2cc(Cl)c([O-])c(Cl)c2)c(N=O)c(=O)[n-]1 ZINC001210925699 1372454648 /nfs/dbraw/zinc/45/46/48/1372454648.db2.gz AQFNMGXYBPCMGK-UHFFFAOYSA-N -2 3 344.158 3.402 20 0 EGADHL COc1cc(Nc2ncc(Br)cc2[O-])cc(C(=O)[O-])c1 ZINC001213583440 1372929308 /nfs/dbraw/zinc/92/93/08/1372929308.db2.gz VGWCDRLNAZBHCF-UHFFFAOYSA-N -2 3 339.145 3.000 20 0 EGADHL O=C([O-])c1cc(Cl)c([N-]c2noc3nccnc23)c(Cl)c1 ZINC001214512358 1373071848 /nfs/dbraw/zinc/07/18/48/1373071848.db2.gz YKNKEJPZRKKTIO-UHFFFAOYSA-N -2 3 325.111 3.366 20 0 EGADHL COc1ccc(Nc2c(Cl)ccc([O-])c2F)c(S(=O)(=O)[O-])c1 ZINC001214563804 1373080380 /nfs/dbraw/zinc/08/03/80/1373080380.db2.gz UAZOBFXDLPVIIK-UHFFFAOYSA-N -2 3 347.751 3.184 20 0 EGADHL O=P([O-])([O-])CCCCO[C@H]1CCc2c1cccc2Br ZINC001225018912 1375089746 /nfs/dbraw/zinc/08/97/46/1375089746.db2.gz LKTXZHBRXXERSM-ZDUSSCGKSA-N -2 3 349.161 3.411 20 0 EGADHL O=P([O-])([O-])C1(Nc2ccc3c(n2)CCCC3)Cc2ccccc2C1 ZINC001157157581 1380789147 /nfs/dbraw/zinc/78/91/47/1380789147.db2.gz VHNKFGYQSVMWMJ-UHFFFAOYSA-N -2 3 344.351 3.045 20 0 EGADHL Cc1cc(C)c(Nc2c(F)ccc([O-])c2F)c(S(=O)(=O)[O-])c1 ZINC001175268855 1385236546 /nfs/dbraw/zinc/23/65/46/1385236546.db2.gz ZLWPIJDRGGULFC-UHFFFAOYSA-N -2 3 329.324 3.278 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594192838 959172163 /nfs/dbraw/zinc/17/21/63/959172163.db2.gz ICKSGUFFQJVYSR-UKRRQHHQSA-N -2 3 343.404 3.157 20 0 EGADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC001595688215 982182793 /nfs/dbraw/zinc/18/27/93/982182793.db2.gz YRAUZJQTXZDRJL-VIFPVBQESA-N -2 3 339.866 3.022 20 0 EGADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC001599514213 997354922 /nfs/dbraw/zinc/35/49/22/997354922.db2.gz HHGQCCCVTSPSAF-OAHLLOKOSA-N -2 3 349.770 3.000 20 0 EGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000336867459 154222288 /nfs/dbraw/zinc/22/22/88/154222288.db2.gz SGQOXRPHININJR-UHFFFAOYSA-N -2 3 347.751 3.188 20 0 EGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1c[n-]nc1-c1ccncc1 ZINC000345701496 164247293 /nfs/dbraw/zinc/24/72/93/164247293.db2.gz QYNOKRVJOSHJKY-UHFFFAOYSA-N -2 3 332.722 3.222 20 0 EGADHL O=C([O-])CCOc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000352021834 165195390 /nfs/dbraw/zinc/19/53/90/165195390.db2.gz RLXHOCNEFDWGKD-LZCJLJQNSA-N -2 3 326.352 3.084 20 0 EGADHL O=C(c1ccc(Br)cc1[O-])N1CCCc2cccc([O-])c21 ZINC000063063971 307354148 /nfs/dbraw/zinc/35/41/48/307354148.db2.gz PFZCCTFTTQQAAB-UHFFFAOYSA-N -2 3 348.196 3.453 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1Br ZINC000127894261 307592135 /nfs/dbraw/zinc/59/21/35/307592135.db2.gz YBLXMVHSIHSOPK-UHFFFAOYSA-N -2 3 346.177 3.095 20 0 EGADHL CSc1cccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000548996229 315067907 /nfs/dbraw/zinc/06/79/07/315067907.db2.gz SAJSOJABQYZEFC-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000552528080 315223652 /nfs/dbraw/zinc/22/36/52/315223652.db2.gz OLRPABAJDRIDLU-NTZNESFSSA-N -2 3 343.470 3.084 20 0 EGADHL CC[C@](C)([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000564448453 316154288 /nfs/dbraw/zinc/15/42/88/316154288.db2.gz NSIQUSWXIUACGV-ZDUSSCGKSA-N -2 3 347.845 3.086 20 0 EGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000582339082 325432936 /nfs/dbraw/zinc/43/29/36/325432936.db2.gz NBHHPLLFSWTNDP-CYBMUJFWSA-N -2 3 343.445 3.492 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000046072818 454214703 /nfs/dbraw/zinc/21/47/03/454214703.db2.gz YGGZZQAOOSKBLP-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000047454268 454374410 /nfs/dbraw/zinc/37/44/10/454374410.db2.gz NMUGEYQQMXITID-UHFFFAOYSA-N -2 3 349.408 3.220 20 0 EGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000048382852 454484710 /nfs/dbraw/zinc/48/47/10/454484710.db2.gz VCVQBRANGKKYNR-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000172883902 455203394 /nfs/dbraw/zinc/20/33/94/455203394.db2.gz DKLDWAADNWKDJZ-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3coc(-c4ccccc4)n3)n[n-]2)o1 ZINC000160244674 455441636 /nfs/dbraw/zinc/44/16/36/455441636.db2.gz FYZYMTFCFFWGDB-UHFFFAOYSA-N -2 3 335.323 3.280 20 0 EGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[n-]c2ccccc2c1=O ZINC000353877531 456946811 /nfs/dbraw/zinc/94/68/11/456946811.db2.gz OCZCDJCODUBETJ-UHFFFAOYSA-N -2 3 332.718 3.279 20 0 EGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cnc2ccccc2c1[O-] ZINC000353877531 456946815 /nfs/dbraw/zinc/94/68/15/456946815.db2.gz OCZCDJCODUBETJ-UHFFFAOYSA-N -2 3 332.718 3.279 20 0 EGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000356505552 457026043 /nfs/dbraw/zinc/02/60/43/457026043.db2.gz IHPBSJMRPSPNAL-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433520959 457844250 /nfs/dbraw/zinc/84/42/50/457844250.db2.gz JYMAVTUDPZHKIG-UHFFFAOYSA-N -3 3 349.408 3.016 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1C(=O)[O-] ZINC000358562818 458079970 /nfs/dbraw/zinc/07/99/70/458079970.db2.gz DLYKALJGGQVBHG-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000362308143 458094531 /nfs/dbraw/zinc/09/45/31/458094531.db2.gz FVIXLQDYCJDRPD-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(F)c1 ZINC000548195847 458854227 /nfs/dbraw/zinc/85/42/27/458854227.db2.gz CHCAKSFIVRAQAB-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000582101259 459306826 /nfs/dbraw/zinc/30/68/26/459306826.db2.gz HTHDJBYSUZKNEG-ZDUSSCGKSA-N -2 3 345.436 3.084 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3C)n[n-]2)o1 ZINC000675966090 549011779 /nfs/dbraw/zinc/01/17/79/549011779.db2.gz IGVAJZGFZDQLMQ-UHFFFAOYSA-N -2 3 325.324 3.237 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)[O-])c3C)[n-]n2)o1 ZINC000675966090 549011783 /nfs/dbraw/zinc/01/17/83/549011783.db2.gz IGVAJZGFZDQLMQ-UHFFFAOYSA-N -2 3 325.324 3.237 20 0 EGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000678478906 549505287 /nfs/dbraw/zinc/50/52/87/549505287.db2.gz NJEXNTHSQXHZHN-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c(C)c1C(=O)[O-] ZINC000680809786 549912647 /nfs/dbraw/zinc/91/26/47/549912647.db2.gz OWFBWVCFNMSEOR-UHFFFAOYSA-N -2 3 349.408 3.125 20 0 EGADHL CC(C)(C)c1nc(=S)n(CN(CCC(=O)[O-])Cc2ccccc2)[n-]1 ZINC000736303859 575931029 /nfs/dbraw/zinc/93/10/29/575931029.db2.gz PXSUOTJROHVBGZ-UHFFFAOYSA-N -2 3 348.472 3.173 20 0 EGADHL Cc1c2ccccc2oc1[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738287178 576310629 /nfs/dbraw/zinc/31/06/29/576310629.db2.gz UIWGRPTZOQHIRZ-SNVBAGLBSA-N -2 3 349.364 3.072 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738357797 576317134 /nfs/dbraw/zinc/31/71/34/576317134.db2.gz MWRHJQLBXLZCNF-UHFFFAOYSA-N -2 3 348.424 3.180 20 0 EGADHL O=C([O-])[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000738718420 576354851 /nfs/dbraw/zinc/35/48/51/576354851.db2.gz IGITULUMGMCUFA-GOSISDBHSA-N -2 3 339.391 3.113 20 0 EGADHL O=C([O-])NCc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000739990393 576528792 /nfs/dbraw/zinc/52/87/92/576528792.db2.gz CHAYVGHOAXOTNS-UHFFFAOYSA-N -2 3 336.351 3.097 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000033491157 601317808 /nfs/dbraw/zinc/31/78/08/601317808.db2.gz QMAIWUVJDNEBLY-GHXNOFRVSA-N -2 3 331.393 3.148 20 0 EGADHL Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])s3)n[n-]2)o1 ZINC000832906293 602004095 /nfs/dbraw/zinc/00/40/95/602004095.db2.gz WLLUNPXMVCNMIH-UHFFFAOYSA-N -2 3 332.337 3.095 20 0 EGADHL Cc1ccc(-c2cc(C(=O)OCc3ccc(C(=O)[O-])s3)[n-]n2)o1 ZINC000832906293 602004098 /nfs/dbraw/zinc/00/40/98/602004098.db2.gz WLLUNPXMVCNMIH-UHFFFAOYSA-N -2 3 332.337 3.095 20 0 EGADHL O=C([O-])CCc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000833240983 604726950 /nfs/dbraw/zinc/72/69/50/604726950.db2.gz UEAYYYIKVIUVLP-UHFFFAOYSA-N -2 3 343.364 3.068 20 0 EGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(F)c(F)cc1Cl ZINC000163594018 1294336810 /nfs/dbraw/zinc/33/68/10/1294336810.db2.gz BSGOSELASHQDGM-UHFFFAOYSA-N -2 3 334.713 3.318 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2CC2)cc1C(=O)[O-] ZINC001184659580 1387505710 /nfs/dbraw/zinc/50/57/10/1387505710.db2.gz KXINISZWPQLPEG-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cc(-c2ccccc2)no1 ZINC001226782642 1375334122 /nfs/dbraw/zinc/33/41/22/1375334122.db2.gz SGZXARAAEDEVRX-VIFPVBQESA-N -2 3 339.380 3.437 20 0 EGADHL Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3nc(Br)[n-]c32)cc1 ZINC001227595615 1375449463 /nfs/dbraw/zinc/44/94/63/1375449463.db2.gz BDIXRMSAERAVSN-QMMMGPOBSA-N -2 3 349.188 3.269 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc2oc3ccccc3c2c1 ZINC001188803677 1388379970 /nfs/dbraw/zinc/37/99/70/1388379970.db2.gz RSGKBBXGYGDIGP-UHFFFAOYSA-N -2 3 340.360 3.487 20 0 EGADHL O=C(Nc1cccc([O-])c1Br)c1cccc(F)c1[O-] ZINC001141222096 1378274093 /nfs/dbraw/zinc/27/40/93/1378274093.db2.gz KQFDNGZHZYMGTO-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000324013101 971073546 /nfs/dbraw/zinc/07/35/46/971073546.db2.gz JOMVWBRSVMPDSS-UHFFFAOYSA-N -2 3 349.408 3.220 20 0 EGADHL CC(C)(C)CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001602861257 971719752 /nfs/dbraw/zinc/71/97/52/971719752.db2.gz OUENHYSEZWSZQA-CQSZACIVSA-N -2 3 339.407 3.250 20 0 EGADHL O=C([O-])[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccc(F)cc1 ZINC001594715579 956921816 /nfs/dbraw/zinc/92/18/16/956921816.db2.gz CURSAHAPFQUFSK-OAHLLOKOSA-N -2 3 345.351 3.302 20 0 EGADHL CSc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594192839 959172843 /nfs/dbraw/zinc/17/28/43/959172843.db2.gz ICKSGUFFQJVYSR-ZFWWWQNUSA-N -2 3 343.404 3.157 20 0 EGADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCCC1 ZINC001259212135 960661864 /nfs/dbraw/zinc/66/18/64/960661864.db2.gz AGLHBFVTTYTCAV-UHFFFAOYSA-N -2 3 349.811 3.178 20 0 EGADHL CC(C)(CC(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001588757650 961227376 /nfs/dbraw/zinc/22/73/76/961227376.db2.gz CRCFTGOXULYRBL-UHFFFAOYSA-N -2 3 329.352 3.168 20 0 EGADHL CC[C@H](C)[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001573936990 961607750 /nfs/dbraw/zinc/60/77/50/961607750.db2.gz MLMLXNKILBXGLN-UGSOOPFHSA-N -2 3 341.407 3.212 20 0 EGADHL O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2[O-])CCCC3)c2ccccc21 ZINC000909577486 981546765 /nfs/dbraw/zinc/54/67/65/981546765.db2.gz KADLHVLONZDGQN-INIZCTEOSA-N -2 3 337.375 3.100 20 0 EGADHL CCc1cccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC001597570660 988348366 /nfs/dbraw/zinc/34/83/66/988348366.db2.gz WSVCALWJWRBSDA-UHFFFAOYSA-N -2 3 327.380 3.072 20 0 EGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000362123465 144359748 /nfs/dbraw/zinc/35/97/48/144359748.db2.gz FLPKPHGKTWZUAW-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL Cc1nc(C=CC=Cc2ccc(F)c(F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000349109687 156355139 /nfs/dbraw/zinc/35/51/39/156355139.db2.gz OKVILKWYVQGYTK-ZUVMSYQZSA-N -2 3 346.333 3.100 20 0 EGADHL Cc1nc(C=Cc2cccc3c2OC(C)(C)C3)[n-]c(=O)c1CC(=O)[O-] ZINC000349107453 156355847 /nfs/dbraw/zinc/35/58/47/156355847.db2.gz JXUPGYDHYMZNBY-BQYQJAHWSA-N -2 3 340.379 3.002 20 0 EGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1n[n-]nc1-c1ccccc1 ZINC000338868400 163368915 /nfs/dbraw/zinc/36/89/15/163368915.db2.gz QPHPSSUKVNLFCH-UHFFFAOYSA-N -2 3 332.722 3.222 20 0 EGADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345992072 164312673 /nfs/dbraw/zinc/31/26/73/164312673.db2.gz JWHIXJVSZYIYLN-AWEZNQCLSA-N -2 3 349.770 3.000 20 0 EGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000156237296 307829282 /nfs/dbraw/zinc/82/92/82/307829282.db2.gz KAWKENSQDUCARQ-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCc1nc(SCc2noc(-c3ccccc3[O-])n2)[n-]c(=O)c1C ZINC000516088784 312308364 /nfs/dbraw/zinc/30/83/64/312308364.db2.gz LCBHXLAZJORVKM-UHFFFAOYSA-N -2 3 344.396 3.101 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000548210089 314985634 /nfs/dbraw/zinc/98/56/34/314985634.db2.gz CPWWLCCGUZADJF-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000001542629 452667449 /nfs/dbraw/zinc/66/74/49/452667449.db2.gz SLRRQLQAJSFGPG-UHFFFAOYSA-N -2 3 339.866 3.105 20 0 EGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000605492992 460592862 /nfs/dbraw/zinc/59/28/62/460592862.db2.gz RHJQWBHNFWBFPY-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000045945464 454199482 /nfs/dbraw/zinc/19/94/82/454199482.db2.gz IMSJNFMQFAFQLG-UHFFFAOYSA-N -2 3 337.372 3.196 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C(=O)[O-] ZINC000152918909 454741137 /nfs/dbraw/zinc/74/11/37/454741137.db2.gz FPRIYLKNGSUXAM-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000152922370 454741461 /nfs/dbraw/zinc/74/14/61/454741461.db2.gz NIQZLSPATDBBNU-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(F)c1 ZINC000156261858 455098848 /nfs/dbraw/zinc/09/88/48/455098848.db2.gz ATNTYKWNAAOIQD-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1c([O-])cccc1F ZINC000185623258 455586189 /nfs/dbraw/zinc/58/61/89/455586189.db2.gz GSXCTWFNQAMVQW-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000325025776 456677794 /nfs/dbraw/zinc/67/77/94/456677794.db2.gz HPEFWPXAEKMCMF-UHFFFAOYSA-N -2 3 349.408 3.283 20 0 EGADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1csc(=NC2CC2)[n-]1 ZINC000426608973 457862034 /nfs/dbraw/zinc/86/20/34/457862034.db2.gz WEVUYZKTDSCOGP-UHFFFAOYSA-N -2 3 343.330 3.116 20 0 EGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000361985521 457993212 /nfs/dbraw/zinc/99/32/12/457993212.db2.gz MOUVSFPWODKHSS-UHFFFAOYSA-N -2 3 341.385 3.047 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc(C)c1F ZINC000460821906 458535134 /nfs/dbraw/zinc/53/51/34/458535134.db2.gz CDFOKBGYGRPSDY-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL O=S(=O)(CCC1Cc2ccccc2C1)[N-]c1cccc(F)c1[O-] ZINC000530144142 458696324 /nfs/dbraw/zinc/69/63/24/458696324.db2.gz DETWBYBVDQQQHX-UHFFFAOYSA-N -2 3 335.400 3.078 20 0 EGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)s2)oc1C(=O)[O-] ZINC000663420309 461634179 /nfs/dbraw/zinc/63/41/79/461634179.db2.gz GJGJJGOGSJPZAF-SSDOTTSWSA-N -2 3 349.817 3.041 20 0 EGADHL O=C([O-])c1cnc(C=Cc2cnc(-c3ccccc3)s2)[n-]c1=O ZINC000670369909 548202183 /nfs/dbraw/zinc/20/21/83/548202183.db2.gz JRVWRZCRFSNBMW-SREVYHEPSA-N -2 3 325.349 3.174 20 0 EGADHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000685901643 550452907 /nfs/dbraw/zinc/45/29/07/550452907.db2.gz HUBKCOLJOBXOTD-UHFFFAOYSA-N -2 3 345.779 3.132 20 0 EGADHL Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738276322 576309367 /nfs/dbraw/zinc/30/93/67/576309367.db2.gz RIDAEQCFFGEVLU-UHFFFAOYSA-N -2 3 349.343 3.001 20 0 EGADHL O=C([O-])c1ccc(NN=Cc2cc(Br)ccc2[O-])cc1 ZINC000254819956 1296478014 /nfs/dbraw/zinc/47/80/14/1296478014.db2.gz XHEPXSZOMOOKPJ-UHFFFAOYSA-N -2 3 335.157 3.299 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C ZINC001185914331 1387826547 /nfs/dbraw/zinc/82/65/47/1387826547.db2.gz PVCOPCPUKPOMGX-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CC(C)(C)c1ccccc1NC(=O)NCCCCP(=O)([O-])[O-] ZINC001189606035 1367066130 /nfs/dbraw/zinc/06/61/30/1367066130.db2.gz AKSMQYBQTPNVAP-UHFFFAOYSA-N -2 3 328.349 3.064 20 0 EGADHL O=S(=O)(CC1CCCC1)[N-]c1ccc(Br)cc1[O-] ZINC001191523816 1367521769 /nfs/dbraw/zinc/52/17/69/1367521769.db2.gz UIDUVSJRNFQCTA-UHFFFAOYSA-N -2 3 334.235 3.087 20 0 EGADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(-c2cccs2)cc1 ZINC001194142685 1368191164 /nfs/dbraw/zinc/19/11/64/1368191164.db2.gz WLWOHYKCPDMYTJ-UHFFFAOYSA-N -2 3 332.406 3.317 20 0 EGADHL O=C([O-])c1ccc(Nc2ncc(Br)cc2[O-])c(F)c1 ZINC001203284209 1370061698 /nfs/dbraw/zinc/06/16/98/1370061698.db2.gz VGGLNNDJUXRNLJ-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL [O-]c1cncc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c1 ZINC001212709023 1372757383 /nfs/dbraw/zinc/75/73/83/1372757383.db2.gz ZNYFLMQPXYMEHV-UHFFFAOYSA-N -2 3 328.378 3.403 20 0 EGADHL O=P([O-])([O-])CCCCO[C@H]1CCc2ccc(Br)cc21 ZINC001225019038 1375089420 /nfs/dbraw/zinc/08/94/20/1375089420.db2.gz PJFJRYGPVFWSJO-ZDUSSCGKSA-N -2 3 349.161 3.411 20 0 EGADHL COc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2[S-])c1 ZINC001259188702 1377122218 /nfs/dbraw/zinc/12/22/18/1377122218.db2.gz FTFQYLDQXBDUBK-UHFFFAOYSA-N -2 3 329.830 3.438 20 0 EGADHL CC(=O)c1ccc(NC(=O)c2cc(=O)c3cccc([O-])c3[n-]2)c(F)c1 ZINC001152678886 1379969195 /nfs/dbraw/zinc/96/91/95/1379969195.db2.gz FCISCBCOTDEZAY-UHFFFAOYSA-N -2 3 340.310 3.240 20 0 EGADHL O=P([O-])([O-])C1(Nc2nccc3ccccc32)Cc2ccccc2C1 ZINC001157157433 1380788679 /nfs/dbraw/zinc/78/86/79/1380788679.db2.gz XFCONXGQGRBZRI-UHFFFAOYSA-N -2 3 340.319 3.320 20 0 EGADHL O=S(=O)([O-])c1ccc(Cl)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175099423 1385194935 /nfs/dbraw/zinc/19/49/35/1385194935.db2.gz GHNIBJZNSYTTFO-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000826271859 1442023472 /nfs/dbraw/zinc/02/34/72/1442023472.db2.gz KNKYFQGSQZQIES-MRVPVSSYSA-N -2 3 348.819 3.177 20 0 EGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826271859 1442023473 /nfs/dbraw/zinc/02/34/73/1442023473.db2.gz KNKYFQGSQZQIES-MRVPVSSYSA-N -2 3 348.819 3.177 20 0 EGADHL CC(C)c1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)c([O-])c1 ZINC001591942859 976474055 /nfs/dbraw/zinc/47/40/55/976474055.db2.gz KTTMIWUJHIOAHH-UHFFFAOYSA-N -2 3 331.343 3.283 20 0 EGADHL C[C@@](CNC(=O)c1cc([O-])c2ccccc2c1)(C(=O)[O-])c1ccccc1 ZINC001592693837 979145643 /nfs/dbraw/zinc/14/56/43/979145643.db2.gz GIIIKNXFTKOBAE-NRFANRHFSA-N -2 3 349.386 3.318 20 0 EGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001594853060 982107402 /nfs/dbraw/zinc/10/74/02/982107402.db2.gz FTAUKNVKVYEWDE-CQSZACIVSA-N -2 3 349.811 3.034 20 0 EGADHL CC(C)(CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001590746798 990544166 /nfs/dbraw/zinc/54/41/66/990544166.db2.gz IBGPVHFTYWKXIF-UHFFFAOYSA-N -2 3 341.407 3.018 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000056695959 214385393 /nfs/dbraw/zinc/38/53/93/214385393.db2.gz XIKIBTHSIWITNK-UITAMQMPSA-N -2 3 335.356 3.033 20 0 EGADHL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000336868556 154222880 /nfs/dbraw/zinc/22/28/80/154222880.db2.gz XGVXTDRGKOCRTE-UHFFFAOYSA-N -2 3 337.422 3.216 20 0 EGADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cncc([O-])c1 ZINC000339941630 155043195 /nfs/dbraw/zinc/04/31/95/155043195.db2.gz KCLCBAYCMKDMSR-UHFFFAOYSA-N -2 3 343.564 3.161 20 0 EGADHL COc1ccc2oc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cc2c1 ZINC000349109343 156355291 /nfs/dbraw/zinc/35/52/91/156355291.db2.gz NCKOMDHETQDJSB-XQRVVYSFSA-N -2 3 340.335 3.043 20 0 EGADHL C[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000390878610 308901223 /nfs/dbraw/zinc/90/12/23/308901223.db2.gz VBBRDTVFNMWWDC-LLVKDONJSA-N -2 3 337.372 3.069 20 0 EGADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc([O-])c(Cl)c1 ZINC000436767058 309773076 /nfs/dbraw/zinc/77/30/76/309773076.db2.gz BIKNKATXUVKMRK-UHFFFAOYSA-N -2 3 349.724 3.388 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2Cl)c1 ZINC000548524607 315022622 /nfs/dbraw/zinc/02/26/22/315022622.db2.gz OCWVRWHYZNXOIO-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL O=C([O-])CC[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccs1 ZINC000563883007 316085395 /nfs/dbraw/zinc/08/53/95/316085395.db2.gz JBWWRNKNIPRAKY-CYBMUJFWSA-N -2 3 345.486 3.230 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000000011960 452491675 /nfs/dbraw/zinc/49/16/75/452491675.db2.gz USGWUCMHFFWPAX-UHFFFAOYSA-N -2 3 333.409 3.203 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)ccc1F ZINC000013367433 453460636 /nfs/dbraw/zinc/46/06/36/453460636.db2.gz NVHLHQAWBOEUMA-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000055547868 453993888 /nfs/dbraw/zinc/99/38/88/453993888.db2.gz DOCBODLMKKRPAN-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1F ZINC000045946229 454199090 /nfs/dbraw/zinc/19/90/90/454199090.db2.gz LHKLZEIOEKOUPA-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000048368427 454481072 /nfs/dbraw/zinc/48/10/72/454481072.db2.gz SEDBTTCZNZJPSG-UHFFFAOYSA-N -2 3 349.383 3.122 20 0 EGADHL Cc1nc(C=Cc2ccc(Br)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347386635 457394086 /nfs/dbraw/zinc/39/40/86/457394086.db2.gz TXPOWXSDPPCBDN-DAXSKMNVSA-N -2 3 349.184 3.051 20 0 EGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C(=O)[O-])c1 ZINC000521542435 459160964 /nfs/dbraw/zinc/16/09/64/459160964.db2.gz OOYPNULUKSJIJI-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000669433971 461675655 /nfs/dbraw/zinc/67/56/55/461675655.db2.gz CKBCNNGSZJQTJQ-AWEZNQCLSA-N -2 3 325.364 3.173 20 0 EGADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC1CCC1 ZINC000650405833 461751298 /nfs/dbraw/zinc/75/12/98/461751298.db2.gz AQPMXIPHQNGFNB-UHFFFAOYSA-N -2 3 341.429 3.104 20 0 EGADHL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc([O-])c2ccccc2c1 ZINC000355249852 547713785 /nfs/dbraw/zinc/71/37/85/547713785.db2.gz BIBGDQYJOPPIEV-UHFFFAOYSA-N -2 3 348.387 3.133 20 0 EGADHL O=C([O-])CCc1nnc([N-]C(=O)c2csc3ccccc23)s1 ZINC000739781653 576505078 /nfs/dbraw/zinc/50/50/78/576505078.db2.gz LWHKIZZXFXHZQW-UHFFFAOYSA-N -2 3 333.394 3.022 20 0 EGADHL Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])cc(C)c1OCC(=O)[O-] ZINC000832865343 601757046 /nfs/dbraw/zinc/75/70/46/601757046.db2.gz ZEQMYKNXZBBGDL-UHFFFAOYSA-N -2 3 349.770 3.378 20 0 EGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000132934404 1293732515 /nfs/dbraw/zinc/73/25/15/1293732515.db2.gz BFRVYJDMSOUQBO-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)ccc2O1 ZINC000182494304 1295053006 /nfs/dbraw/zinc/05/30/06/1295053006.db2.gz MFENHCYRARNUEE-SECBINFHSA-N -2 3 339.800 3.170 20 0 EGADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805258090 1317333908 /nfs/dbraw/zinc/33/39/08/1317333908.db2.gz CSQWLDFXYQUYGI-UHFFFAOYSA-N -2 3 338.722 3.101 20 0 EGADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OC)c(C(=O)[O-])c2)CC)n1 ZINC000865223673 1329677333 /nfs/dbraw/zinc/67/73/33/1329677333.db2.gz LGMCVGQXMNNDHK-UKTHLTGXSA-N -2 3 342.395 3.380 20 0 EGADHL O=S(=O)(Cc1ccc(Cl)cc1F)[N-]c1ccc(F)cc1[O-] ZINC001191892979 1367628259 /nfs/dbraw/zinc/62/82/59/1367628259.db2.gz BXJMESQITRJXOX-UHFFFAOYSA-N -2 3 333.743 3.266 20 0 EGADHL CC(=O)c1cccc([O-])c1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193092837 1367942595 /nfs/dbraw/zinc/94/25/95/1367942595.db2.gz CTABMGCVFKGWCT-UHFFFAOYSA-N -2 3 341.150 3.255 20 0 EGADHL COc1ccnc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)c1[O-] ZINC001193531353 1368055971 /nfs/dbraw/zinc/05/59/71/1368055971.db2.gz JUYSEMWGMVWKHR-UHFFFAOYSA-N -2 3 329.139 3.061 20 0 EGADHL Cc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)c1F ZINC001200650223 1369406064 /nfs/dbraw/zinc/40/60/64/1369406064.db2.gz GKSFPIFKNRUCCV-UHFFFAOYSA-N -2 3 338.385 3.250 20 0 EGADHL O=C([O-])c1c(F)ccc(Nc2ncc(Br)cc2[O-])c1F ZINC001215266086 1373191925 /nfs/dbraw/zinc/19/19/25/1373191925.db2.gz JSUZYZVPYIFIKA-UHFFFAOYSA-N -2 3 345.099 3.270 20 0 EGADHL O=S(=O)([O-])c1cc(Cl)ccc1Nc1c(F)ccc([O-])c1F ZINC001175268349 1385236390 /nfs/dbraw/zinc/23/63/90/1385236390.db2.gz KTGKPTWTVFZSFL-UHFFFAOYSA-N -2 3 335.715 3.314 20 0 EGADHL CCC[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825234054 1424044004 /nfs/dbraw/zinc/04/40/04/1424044004.db2.gz VTXUTIBDERHQOQ-SNVBAGLBSA-N -2 3 342.428 3.365 20 0 EGADHL CCC[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825234054 1424044007 /nfs/dbraw/zinc/04/40/07/1424044007.db2.gz VTXUTIBDERHQOQ-SNVBAGLBSA-N -2 3 342.428 3.365 20 0 EGADHL C[C@](NC(=O)c1cc2sccc2c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001589115120 956090051 /nfs/dbraw/zinc/09/00/51/956090051.db2.gz ODMGCMOECZRQTH-GOSISDBHSA-N -2 3 341.388 3.337 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1O ZINC000013345465 957031135 /nfs/dbraw/zinc/03/11/35/957031135.db2.gz RFFKPPKBSGABLZ-UHFFFAOYSA-N -2 3 343.360 3.044 20 0 EGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000072636506 957735154 /nfs/dbraw/zinc/73/51/54/957735154.db2.gz RAHFGIXHMSHDPJ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL O=C([O-])[C@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)Cc2ccccc21 ZINC001574657870 962477539 /nfs/dbraw/zinc/47/75/39/962477539.db2.gz JPLQBLAGFLNOHV-SFHVURJKSA-N -2 3 347.370 3.370 20 0 EGADHL CC(C)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001591941940 976464006 /nfs/dbraw/zinc/46/40/06/976464006.db2.gz KUIOSYNBGYRZOH-LJQANCHMSA-N -2 3 327.380 3.245 20 0 EGADHL C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592478520 978252205 /nfs/dbraw/zinc/25/22/05/978252205.db2.gz WLVZBGSNPLRXSU-LLVKDONJSA-N -2 3 329.418 3.005 20 0 EGADHL C[C@@]([N-]C(=O)C(F)(F)c1ccccc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001592993438 980194379 /nfs/dbraw/zinc/19/43/79/980194379.db2.gz CTHLNADTLZWKML-INIZCTEOSA-N -2 3 337.297 3.034 20 0 EGADHL O=C([O-])C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CCCC1 ZINC000910564825 981991487 /nfs/dbraw/zinc/99/14/87/981991487.db2.gz PKXBGJMZUKDZJV-INIZCTEOSA-N -2 3 327.380 3.309 20 0 EGADHL CCCCOc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c([O-])c1 ZINC001595776916 982545213 /nfs/dbraw/zinc/54/52/13/982545213.db2.gz MVHRASKQNCMHSW-UHFFFAOYSA-N -2 3 347.367 3.101 20 0 EGADHL CCN(CCC(=O)[O-])C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001596308791 983737165 /nfs/dbraw/zinc/73/71/65/983737165.db2.gz CBLXOPPKDJQFQA-UHFFFAOYSA-N -2 3 329.352 3.121 20 0 EGADHL C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)C(C)(C)C(=O)[O-] ZINC001593566064 995662024 /nfs/dbraw/zinc/66/20/24/995662024.db2.gz VALZYIOJKZZQGX-LURJTMIESA-N -2 3 343.788 3.108 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000036389590 213093597 /nfs/dbraw/zinc/09/35/97/213093597.db2.gz MCXBBTMLGNOIPU-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000336867829 154223017 /nfs/dbraw/zinc/22/30/17/154223017.db2.gz PGGBJPCANJMNSC-LLVKDONJSA-N -2 3 337.372 3.069 20 0 EGADHL Cc1nc(C=Cc2cnc(-c3ccco3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105765 156355363 /nfs/dbraw/zinc/35/53/63/156355363.db2.gz HHSNBVJOVSMDJZ-SNAWJCMRSA-N -2 3 343.364 3.005 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1F ZINC000180024195 265394388 /nfs/dbraw/zinc/39/43/88/265394388.db2.gz CYQNVOHALZQMHC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2)c(C)c1CC(=O)[O-] ZINC000181194768 275205582 /nfs/dbraw/zinc/20/55/82/275205582.db2.gz AKHFVLXVYOUSRC-UHFFFAOYSA-N -2 3 333.409 3.040 20 0 EGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000189029913 275219362 /nfs/dbraw/zinc/21/93/62/275219362.db2.gz ALCFLNBRLKRJGL-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000319804336 308767030 /nfs/dbraw/zinc/76/70/30/308767030.db2.gz ONNAHJCXMAZTDZ-UHFFFAOYSA-N -2 3 337.372 3.448 20 0 EGADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000391411785 308901569 /nfs/dbraw/zinc/90/15/69/308901569.db2.gz ARVXERUABIVCLW-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000391913427 308901678 /nfs/dbraw/zinc/90/16/78/308901678.db2.gz AERQNADPHJPYBX-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL COC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000436517448 309758534 /nfs/dbraw/zinc/75/85/34/309758534.db2.gz ZUUMXEITRDDKDT-UHFFFAOYSA-N -2 3 337.331 3.290 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(C)c1 ZINC000532279629 313779120 /nfs/dbraw/zinc/77/91/20/313779120.db2.gz RHRNGPMSRBDURA-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000548283290 314989432 /nfs/dbraw/zinc/98/94/32/314989432.db2.gz BPYOTMGQGWQORB-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL CCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000548539737 315023157 /nfs/dbraw/zinc/02/31/57/315023157.db2.gz KWQLZDTZNXFGGW-UHFFFAOYSA-N -2 3 339.800 3.401 20 0 EGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)ccc(F)c1F ZINC000560005323 315654479 /nfs/dbraw/zinc/65/44/79/315654479.db2.gz DECFHCMOYNCPND-UHFFFAOYSA-N -2 3 337.706 3.264 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000058357595 454193118 /nfs/dbraw/zinc/19/31/18/454193118.db2.gz MJYNWRLKTFAOOP-UHFFFAOYSA-N -2 3 337.372 3.277 20 0 EGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000058518730 454211599 /nfs/dbraw/zinc/21/15/99/454211599.db2.gz RFRMEYKKOUBUSH-UHFFFAOYSA-N -2 3 333.409 3.365 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C)c1C(=O)[O-] ZINC000090164086 454286946 /nfs/dbraw/zinc/28/69/46/454286946.db2.gz HCFPMTIDSYRVMZ-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000047949102 454423118 /nfs/dbraw/zinc/42/31/18/454423118.db2.gz HTZKOVXNHCKSQN-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC000074983909 454670022 /nfs/dbraw/zinc/67/00/22/454670022.db2.gz VEXDLLLMQOJSDS-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4cccs4)on3)n[n-]2)o1 ZINC000177823373 454910542 /nfs/dbraw/zinc/91/05/42/454910542.db2.gz ICLUKVYCJBCBQI-UHFFFAOYSA-N -2 3 341.352 3.342 20 0 EGADHL Cc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1[O-] ZINC000436599209 458342460 /nfs/dbraw/zinc/34/24/60/458342460.db2.gz DDOARHZRFCUMEG-UHFFFAOYSA-N -2 3 336.185 3.099 20 0 EGADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c([O-])c1 ZINC000436771682 458377935 /nfs/dbraw/zinc/37/79/35/458377935.db2.gz ASOGFJLATCIGTQ-AWEZNQCLSA-N -2 3 337.734 3.049 20 0 EGADHL CCOC(=O)c1cnc(C(C)=Cc2ccc([O-])c(Cl)c2)[n-]c1=O ZINC000436812770 458385826 /nfs/dbraw/zinc/38/58/26/458385826.db2.gz CHIFKOKDGBLRHX-TWGQIWQCSA-N -2 3 334.759 3.278 20 0 EGADHL O=C(Nc1ccccc1[O-])c1cc(F)cc(Br)c1[O-] ZINC000436847360 458392750 /nfs/dbraw/zinc/39/27/50/458392750.db2.gz FBVLAKQVYQULGA-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CCc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)c([O-])c1 ZINC000558393821 459152216 /nfs/dbraw/zinc/15/22/16/459152216.db2.gz RHVCDJNGVOLMCV-UHFFFAOYSA-N -2 3 338.367 3.006 20 0 EGADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000582881155 459443110 /nfs/dbraw/zinc/44/31/10/459443110.db2.gz WUKZOYRAPYILDP-UHFFFAOYSA-N -2 3 341.816 3.025 20 0 EGADHL Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000181195121 534825172 /nfs/dbraw/zinc/82/51/72/534825172.db2.gz IOHLXIKWMKWOHH-UHFFFAOYSA-N -2 3 347.436 3.348 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000342969468 536615314 /nfs/dbraw/zinc/61/53/14/536615314.db2.gz CTONSHHIFAYSEV-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C([O-])c1cnc(C=Cc2cccc(OC3CCCC3)c2)[n-]c1=O ZINC000670370164 548202480 /nfs/dbraw/zinc/20/24/80/548202480.db2.gz GXOHOKPNBZCITJ-HJWRWDBZSA-N -2 3 326.352 3.372 20 0 EGADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)n[n-]2)o1 ZINC000738488491 576331323 /nfs/dbraw/zinc/33/13/23/576331323.db2.gz SFSYWYUAZJQCQJ-UHFFFAOYSA-N -2 3 344.302 3.459 20 0 EGADHL CCC1CCC(NC(=O)c2cc(=O)c3ccccc3[n-]2)(C(=O)[O-])CC1 ZINC000326691757 601296088 /nfs/dbraw/zinc/29/60/88/601296088.db2.gz RIHVJXQAAJAQLH-UHFFFAOYSA-N -2 3 342.395 3.094 20 0 EGADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000821184618 1320002143 /nfs/dbraw/zinc/00/21/43/1320002143.db2.gz DFZUNBOCCCQTEM-UHFFFAOYSA-N -2 3 339.413 3.372 20 0 EGADHL CCCn1c2ccccc2n(CC)c1=NC(=O)c1ccc([O-])cc1[O-] ZINC000839342119 1320907016 /nfs/dbraw/zinc/90/70/16/1320907016.db2.gz VFFYGJBEBHULBO-UHFFFAOYSA-N -2 3 339.395 3.025 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2C)cc1C(=O)[O-] ZINC001184699596 1387512848 /nfs/dbraw/zinc/51/28/48/1387512848.db2.gz VFYLDDIDDSLISL-UHFFFAOYSA-N -2 3 337.372 3.250 20 0 EGADHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001192816628 1367881095 /nfs/dbraw/zinc/88/10/95/1367881095.db2.gz SLSXZTYGLIXLJG-UHFFFAOYSA-N -2 3 341.816 3.417 20 0 EGADHL COc1cc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)ccc1F ZINC001200491670 1369379569 /nfs/dbraw/zinc/37/95/69/1369379569.db2.gz KMFOPRMMVUOZCP-UHFFFAOYSA-N -2 3 349.742 3.133 20 0 EGADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1cc2c(s1)CCCC2 ZINC001187206811 1388071468 /nfs/dbraw/zinc/07/14/68/1388071468.db2.gz LEHZSBXAFKGPAL-UHFFFAOYSA-N -2 3 345.392 3.412 20 0 EGADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210006940 1372253464 /nfs/dbraw/zinc/25/34/64/1372253464.db2.gz JMWPPOMFKXNSBJ-UHFFFAOYSA-N -2 3 327.315 3.467 20 0 EGADHL CC(=O)c1c(F)cccc1NC(=O)c1cc(=O)c2cccc([O-])c2[n-]1 ZINC001152679504 1379968959 /nfs/dbraw/zinc/96/89/59/1379968959.db2.gz BIVSOPXNCZNNLZ-UHFFFAOYSA-N -2 3 340.310 3.240 20 0 EGADHL CC1(C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCC1 ZINC000820577782 1447126104 /nfs/dbraw/zinc/12/61/04/1447126104.db2.gz VAXWFIGIUBWOCO-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL CC1(C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCC1 ZINC000820577782 1447126106 /nfs/dbraw/zinc/12/61/06/1447126106.db2.gz VAXWFIGIUBWOCO-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL CCCN(CC(=O)[O-])C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001589665616 949891621 /nfs/dbraw/zinc/89/16/21/949891621.db2.gz KRRGUKZQLZDNMJ-UHFFFAOYSA-N -2 3 341.407 3.114 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)cc1 ZINC001597138023 986878710 /nfs/dbraw/zinc/87/87/10/986878710.db2.gz XJFFTWGWKWPZHJ-GFCCVEGCSA-N -2 3 349.408 3.074 20 0 EGADHL CCc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1[O-] ZINC001597570415 988343309 /nfs/dbraw/zinc/34/33/09/988343309.db2.gz HXFKDCRMDAWLGJ-UHFFFAOYSA-N -2 3 347.798 3.335 20 0 EGADHL C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC001599831753 988685670 /nfs/dbraw/zinc/68/56/70/988685670.db2.gz DEGZDVSYAHGAGG-NSHDSACASA-N -2 3 333.771 3.161 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1C ZINC000343703974 164016227 /nfs/dbraw/zinc/01/62/27/164016227.db2.gz BNDBRHGLZAQPID-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)c1C ZINC000343767457 164029867 /nfs/dbraw/zinc/02/98/67/164029867.db2.gz YSLMMHDKGQFYQV-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=C([N-]c1cc(Cl)c([O-])cc1F)c1cc(-c2ccccn2)no1 ZINC000345700361 164247448 /nfs/dbraw/zinc/24/74/48/164247448.db2.gz NLAONSQQPKXZQU-UHFFFAOYSA-N -2 3 333.706 3.487 20 0 EGADHL CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000360537023 167352938 /nfs/dbraw/zinc/35/29/38/167352938.db2.gz ZPDAEDVYTPESMT-CYBMUJFWSA-N -2 3 341.816 3.025 20 0 EGADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000193317473 266023348 /nfs/dbraw/zinc/02/33/48/266023348.db2.gz IJCJGJNAXRQVTF-UHFFFAOYSA-N -2 3 347.436 3.313 20 0 EGADHL Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000237489756 266235091 /nfs/dbraw/zinc/23/50/91/266235091.db2.gz XQUHZEVQSQQHPG-AWEZNQCLSA-N -2 3 327.380 3.064 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1C(=O)[O-] ZINC000323887452 308768897 /nfs/dbraw/zinc/76/88/97/308768897.db2.gz MLLMSMWBAFZFBS-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c([O-])c1 ZINC000436649416 309766616 /nfs/dbraw/zinc/76/66/16/309766616.db2.gz RXGUCQYZSCYZAO-UHFFFAOYSA-N -2 3 333.771 3.081 20 0 EGADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cc(F)ccc3[O-])n2)c1 ZINC000436707776 309769552 /nfs/dbraw/zinc/76/95/52/309769552.db2.gz PZVJFMCRVKRABJ-UHFFFAOYSA-N -2 3 345.305 3.122 20 0 EGADHL O=c1cc(C=Cc2ccc([O-])c(Cl)c2)nc(-c2ccncc2)[n-]1 ZINC000436932626 309781905 /nfs/dbraw/zinc/78/19/05/309781905.db2.gz OOKDUCNZQMTATA-IWQZZHSRSA-N -2 3 325.755 3.361 20 0 EGADHL Cc1nc(C=Cc2cnc(C3CCC3)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443441806 309901184 /nfs/dbraw/zinc/90/11/84/309901184.db2.gz KUKHYDMEUWYFHG-ALCCZGGFSA-N -2 3 345.424 3.402 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)CCC2CCCCC2)c1F ZINC000581116022 325331951 /nfs/dbraw/zinc/33/19/51/325331951.db2.gz TWCSNGNWWYGPTM-UHFFFAOYSA-N -2 3 329.393 3.236 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000013346107 453460849 /nfs/dbraw/zinc/46/08/49/453460849.db2.gz XIKIBTHSIWITNK-WEVVVXLNSA-N -2 3 335.356 3.033 20 0 EGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000045945828 454198725 /nfs/dbraw/zinc/19/87/25/454198725.db2.gz XKXSESOZWQKDRB-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000065844486 454630262 /nfs/dbraw/zinc/63/02/62/454630262.db2.gz VOLLXLKSWZDYHU-UHFFFAOYSA-N -2 3 333.409 3.447 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2C(=O)[O-])cc1 ZINC000326778635 456699954 /nfs/dbraw/zinc/69/99/54/456699954.db2.gz TXYOUNSOEJXIQQ-UHFFFAOYSA-N -2 3 349.408 3.147 20 0 EGADHL CCN=c1[n-]c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cs1 ZINC000354413341 457205956 /nfs/dbraw/zinc/20/59/56/457205956.db2.gz ZLSRDELUGKCFRS-UHFFFAOYSA-N -2 3 332.212 3.262 20 0 EGADHL CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ncccc3[O-])n2)c1 ZINC000357455361 457538860 /nfs/dbraw/zinc/53/88/60/457538860.db2.gz QLTGULOBIUYNDZ-UHFFFAOYSA-N -2 3 338.367 3.054 20 0 EGADHL Cc1nc(C=Cc2c(F)cccc2Cl)[n-]c(=O)c1CCC(=O)[O-] ZINC000443452265 457766842 /nfs/dbraw/zinc/76/68/42/457766842.db2.gz HZKRPZIYEYZNTM-ALCCZGGFSA-N -2 3 336.750 3.471 20 0 EGADHL O=C([O-])c1cnc(/C=C\c2ccc([O-])c(Br)c2)s1 ZINC000436709395 458364595 /nfs/dbraw/zinc/36/45/95/458364595.db2.gz VXOLRAAIXYPACG-RQOWECAXSA-N -2 3 326.171 3.480 20 0 EGADHL Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c([O-])c1 ZINC000436915808 458404844 /nfs/dbraw/zinc/40/48/44/458404844.db2.gz QLEXFFQCCSJKJH-UHFFFAOYSA-N -2 3 344.758 3.097 20 0 EGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000471116977 458679266 /nfs/dbraw/zinc/67/92/66/458679266.db2.gz QPMIYITVDAVLJM-UHFFFAOYSA-N -2 3 333.409 3.419 20 0 EGADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000476254258 458989999 /nfs/dbraw/zinc/98/99/99/458989999.db2.gz DTFLEHJCKAINQD-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CO[C@@H](CS(=O)(=O)[N-]c1c([O-])cccc1Cl)C1CCCCC1 ZINC000641687630 461322528 /nfs/dbraw/zinc/32/25/28/461322528.db2.gz RBAITKQFUKBJIF-AWEZNQCLSA-N -2 3 347.864 3.383 20 0 EGADHL O=C([O-])c1cnc(C=Cc2csc(-c3cccs3)n2)[n-]c1=O ZINC000670370116 548202464 /nfs/dbraw/zinc/20/24/64/548202464.db2.gz ZTNLRWQWFPXLMF-ONEGZZNKSA-N -2 3 331.378 3.236 20 0 EGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000678479654 549505744 /nfs/dbraw/zinc/50/57/44/549505744.db2.gz YTZMXPFASLPMHL-UHFFFAOYSA-N -2 3 331.393 3.371 20 0 EGADHL C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736564051 575985320 /nfs/dbraw/zinc/98/53/20/575985320.db2.gz WKJINNZGBHJIRR-NSHDSACASA-N -2 3 329.418 3.005 20 0 EGADHL CC[C@@]([N-]C(=O)C(F)(F)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000736907343 576056841 /nfs/dbraw/zinc/05/68/41/576056841.db2.gz PRTJXEHYQUWQHX-KRWDZBQOSA-N -2 3 333.334 3.285 20 0 EGADHL O=C([O-])CCCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000739671192 576496157 /nfs/dbraw/zinc/49/61/57/576496157.db2.gz ZBDDMLZNIUSXKA-UHFFFAOYSA-N -2 3 329.352 3.169 20 0 EGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000833295267 601857588 /nfs/dbraw/zinc/85/75/88/601857588.db2.gz UANILLRNZWEIFZ-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000832899432 604748046 /nfs/dbraw/zinc/74/80/46/604748046.db2.gz ORMCRTZDUXJGHO-MRVPVSSYSA-N -2 3 331.353 3.183 20 0 EGADHL C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C(=O)[O-])o1 ZINC000833532035 605056536 /nfs/dbraw/zinc/05/65/36/605056536.db2.gz NXXCPXWLLLRINT-LURJTMIESA-N -2 3 328.679 3.394 20 0 EGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(F)c(Cl)cc1F ZINC000193496552 1295877466 /nfs/dbraw/zinc/87/74/66/1295877466.db2.gz YQFVRZCLHXCQLX-UHFFFAOYSA-N -2 3 334.713 3.318 20 0 EGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780367312 1304682721 /nfs/dbraw/zinc/68/27/21/1304682721.db2.gz NCSLTKLYYZUJMD-UHFFFAOYSA-N -2 3 345.298 3.262 20 0 EGADHL Cc1c(Cl)ccc(S(=O)(=O)[N-]c2cncc([O-])c2)c1Cl ZINC001191728993 1367572784 /nfs/dbraw/zinc/57/27/84/1367572784.db2.gz QYDOXMCYZZGKDW-UHFFFAOYSA-N -2 3 333.196 3.203 20 0 EGADHL C=Cc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c1 ZINC001192648746 1367842822 /nfs/dbraw/zinc/84/28/22/1367842822.db2.gz ZSUPEPSRAIVRGB-UHFFFAOYSA-N -2 3 347.392 3.227 20 0 EGADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)c([O-])c1F ZINC001193783924 1368114612 /nfs/dbraw/zinc/11/46/12/1368114612.db2.gz GVJXWPAKRJDFBU-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)c(F)c1 ZINC001196344855 1368593620 /nfs/dbraw/zinc/59/36/20/1368593620.db2.gz XZAHARLZHFIUJI-UHFFFAOYSA-N -2 3 338.385 3.250 20 0 EGADHL O=C([O-])c1cnc(F)c(Nc2cccc([O-])c2Br)c1 ZINC001215136074 1373175999 /nfs/dbraw/zinc/17/59/99/1373175999.db2.gz WRHAPUFRUSQOIS-UHFFFAOYSA-N -2 3 327.109 3.131 20 0 EGADHL Cc1ccc(OC(C)C)c(COc2nc3ncnc-3c([S-])[n-]2)c1 ZINC001226787190 1375335276 /nfs/dbraw/zinc/33/52/76/1375335276.db2.gz WAUARSDIEWAPRX-UHFFFAOYSA-N -2 3 330.413 3.316 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C(=O)[O-])c1 ZINC000040091278 957359249 /nfs/dbraw/zinc/35/92/49/957359249.db2.gz WQRSUZZNXCJHEN-UHFFFAOYSA-N -2 3 345.420 3.373 20 0 EGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccccc1Cl ZINC000226462912 959879633 /nfs/dbraw/zinc/87/96/33/959879633.db2.gz GFAFSMBUHOCSCP-UHFFFAOYSA-N -2 3 331.802 3.209 20 0 EGADHL CC(C)C[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)CC(=O)[O-] ZINC001588894210 962221915 /nfs/dbraw/zinc/22/19/15/962221915.db2.gz BVQMUAPVPFSQTE-ZDUSSCGKSA-N -2 3 329.396 3.412 20 0 EGADHL CCc1cc(C(=O)[O-])c(NC([O-])=NOCc2ccc(F)cc2)s1 ZINC001597443837 987811763 /nfs/dbraw/zinc/81/17/63/987811763.db2.gz TWEHIFJHSFWKQQ-UHFFFAOYSA-N -2 3 338.360 3.401 20 0 EGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC001597555994 988284670 /nfs/dbraw/zinc/28/46/70/988284670.db2.gz DUJYEIQGDWVSDX-LBPRGKRZSA-N -2 3 327.380 3.470 20 0 EGADHL COc1cccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])c1[O-] ZINC001599642810 994382760 /nfs/dbraw/zinc/38/27/60/994382760.db2.gz UQSKGRLPXNEKRN-UHFFFAOYSA-N -2 3 329.352 3.475 20 0 EGADHL COc1cc(C(=O)[O-])ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001599369437 998388096 /nfs/dbraw/zinc/38/80/96/998388096.db2.gz IQEOPGBDQXRZMG-UHFFFAOYSA-N -2 3 347.342 3.200 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1C(=O)[O-] ZINC000319246464 154161959 /nfs/dbraw/zinc/16/19/59/154161959.db2.gz XDBVWYLXJFJKKQ-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCSc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000349103155 156353495 /nfs/dbraw/zinc/35/34/95/156353495.db2.gz BVBGJTSVFDTCPB-BQYQJAHWSA-N -2 3 330.409 3.400 20 0 EGADHL Cc1nc(C=Cc2ccc3c(c2)CC(C)(C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000349116373 156359607 /nfs/dbraw/zinc/35/96/07/156359607.db2.gz ZNMLJXSSRCPXOV-FNORWQNLSA-N -2 3 340.379 3.002 20 0 EGADHL CCO[C@@H](C)c1ncc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)s1 ZINC000359015995 167038606 /nfs/dbraw/zinc/03/86/06/167038606.db2.gz PSEZEVIOTAINLU-VIFPVBQESA-N -2 3 347.400 3.179 20 0 EGADHL C[C@H]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2c([O-])cccc21 ZINC000186331201 265525013 /nfs/dbraw/zinc/52/50/13/265525013.db2.gz JXHXBQWFCIYEIH-ZDUSSCGKSA-N -2 3 349.390 3.438 20 0 EGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc([O-])c3F)cc2)co1 ZINC000131521570 307644757 /nfs/dbraw/zinc/64/47/57/307644757.db2.gz UTNCECDEFLENNL-UHFFFAOYSA-N -2 3 348.355 3.296 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(C)c1C(=O)[O-] ZINC000156311351 307830665 /nfs/dbraw/zinc/83/06/65/307830665.db2.gz VTLNXVSLXUIYHM-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000316440758 308766314 /nfs/dbraw/zinc/76/63/14/308766314.db2.gz ROSHVJBTDKOJKL-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cs1 ZINC000070156526 454167223 /nfs/dbraw/zinc/16/72/23/454167223.db2.gz WWBXIQUXJYQGNT-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL O=C([O-])c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c([O-])c1 ZINC000578338666 324955479 /nfs/dbraw/zinc/95/54/79/324955479.db2.gz QZNVMAFPQMEONS-ZDUSSCGKSA-N -2 3 332.327 3.454 20 0 EGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000578719123 325007394 /nfs/dbraw/zinc/00/73/94/325007394.db2.gz XFHADPDWMMEMLZ-CYBMUJFWSA-N -2 3 345.436 3.084 20 0 EGADHL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000032588524 453878632 /nfs/dbraw/zinc/87/86/32/453878632.db2.gz KVBYGCIIFQLCBE-UHFFFAOYSA-N -2 3 349.408 3.074 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)cc1 ZINC000058518735 454211710 /nfs/dbraw/zinc/21/17/10/454211710.db2.gz GAKGDQTVBACQET-UHFFFAOYSA-N -2 3 333.409 3.310 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000047948980 454423296 /nfs/dbraw/zinc/42/32/96/454423296.db2.gz DFKWWLWTSIZTQX-UHFFFAOYSA-N -2 3 349.408 3.065 20 0 EGADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc([O-])c2F)n1 ZINC000129382337 455109747 /nfs/dbraw/zinc/10/97/47/455109747.db2.gz MIGPXBBABZUMIJ-UHFFFAOYSA-N -2 3 345.305 3.122 20 0 EGADHL COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc(OC)c1[O-] ZINC000265442494 455325207 /nfs/dbraw/zinc/32/52/07/455325207.db2.gz LIPUHKWIVVJSFJ-AATRIKPKSA-N -2 3 344.367 3.191 20 0 EGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(F)c1 ZINC000325088793 456678100 /nfs/dbraw/zinc/67/81/00/456678100.db2.gz JUXCBWUYLYYHQI-UHFFFAOYSA-N -2 3 349.383 3.204 20 0 EGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C ZINC000342270518 457202120 /nfs/dbraw/zinc/20/21/20/457202120.db2.gz DXQZWOCOGKNFJW-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1C(=O)[O-] ZINC000392624144 457460779 /nfs/dbraw/zinc/46/07/79/457460779.db2.gz QMWXBYKPEVEDCY-UHFFFAOYSA-N -2 3 349.408 3.070 20 0 EGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000362324792 458105100 /nfs/dbraw/zinc/10/51/00/458105100.db2.gz PXTLIZXZDFZESO-UHFFFAOYSA-N -2 3 347.726 3.117 20 0 EGADHL COc1cc([O-])cc(-c2nc3ccc(Br)cc3c(=O)[n-]2)c1 ZINC000362591520 458287573 /nfs/dbraw/zinc/28/75/73/458287573.db2.gz KYQJIQKZPAMGFO-UHFFFAOYSA-N -2 3 347.168 3.479 20 0 EGADHL CC(C)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000436759074 458375563 /nfs/dbraw/zinc/37/55/63/458375563.db2.gz RNKAREOLDKVKHJ-UHFFFAOYSA-N -2 3 348.424 3.139 20 0 EGADHL Cc1cccc([O-])c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000626102466 460372333 /nfs/dbraw/zinc/37/23/33/460372333.db2.gz JQZIOUIRKXKKSD-UHFFFAOYSA-N -2 3 339.391 3.141 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)c1C ZINC000604971547 460510429 /nfs/dbraw/zinc/51/04/29/460510429.db2.gz ZGSVGJQDKKEAMG-UHFFFAOYSA-N -2 3 349.408 3.119 20 0 EGADHL O=c1cc(CN=c2nc(-c3ccccc3)[n-]s2)nc(C2CCC2)[n-]1 ZINC000641684119 461319022 /nfs/dbraw/zinc/31/90/22/461319022.db2.gz WWJWRMCCNOXBOT-UHFFFAOYSA-N -2 3 339.424 3.002 20 0 EGADHL O=C([O-])c1cccc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000643434992 461727869 /nfs/dbraw/zinc/72/78/69/461727869.db2.gz QIPULDQJXVKCGM-UHFFFAOYSA-N -2 3 339.391 3.463 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cs1 ZINC000219545835 547241702 /nfs/dbraw/zinc/24/17/02/547241702.db2.gz VXZPSKFSWOVVST-UHFFFAOYSA-N -2 3 335.765 3.040 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC000678478937 549505731 /nfs/dbraw/zinc/50/57/31/549505731.db2.gz ORCTUBZFSKPWKO-UHFFFAOYSA-N -2 3 347.392 3.072 20 0 EGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000738605050 574962101 /nfs/dbraw/zinc/96/21/01/574962101.db2.gz YVHGLXRMDCKQKP-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc2ccsc2[n-]1 ZINC000736189382 575909780 /nfs/dbraw/zinc/90/97/80/575909780.db2.gz LKYIIDQTVBYADK-UHFFFAOYSA-N -2 3 329.333 3.349 20 0 EGADHL Cc1ccc(-c2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)n[n-]2)o1 ZINC000738487216 576331013 /nfs/dbraw/zinc/33/10/13/576331013.db2.gz RYXXGQWUXGBKBL-UHFFFAOYSA-N -2 3 336.307 3.393 20 0 EGADHL Cc1ccc(-c2cc(-c3nc(-c4ccc(C(=O)[O-])cc4)no3)[n-]n2)o1 ZINC000738487216 576331014 /nfs/dbraw/zinc/33/10/14/576331014.db2.gz RYXXGQWUXGBKBL-UHFFFAOYSA-N -2 3 336.307 3.393 20 0 EGADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000830254061 600762212 /nfs/dbraw/zinc/76/22/12/600762212.db2.gz SOFSQEHPTWJMNM-CYBMUJFWSA-N -2 3 325.364 3.173 20 0 EGADHL COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c([O-])c1 ZINC000832174621 601621856 /nfs/dbraw/zinc/62/18/56/601621856.db2.gz CEWGLLLUMMGXCA-AWEZNQCLSA-N -2 3 349.770 3.000 20 0 EGADHL Cc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c([O-])c1C ZINC000832913295 601802186 /nfs/dbraw/zinc/80/21/86/601802186.db2.gz AULILTFGGLXHKU-UHFFFAOYSA-N -2 3 334.397 3.125 20 0 EGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCCCC2)c(F)cc1F ZINC000761233428 1301425766 /nfs/dbraw/zinc/42/57/66/1301425766.db2.gz FZSIIOSYPNWWRQ-UHFFFAOYSA-N -2 3 347.383 3.054 20 0 EGADHL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc([O-])cc1F ZINC001206087559 1370958055 /nfs/dbraw/zinc/95/80/55/1370958055.db2.gz DOMWHVPPMJPTAW-UHFFFAOYSA-N -2 3 335.360 3.036 20 0 EGADHL Cc1cc(C)c(Nc2ccc([O-])c(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001212010883 1372646512 /nfs/dbraw/zinc/64/65/12/1372646512.db2.gz FDVGZIWIRFTUBN-UHFFFAOYSA-N -2 3 329.324 3.278 20 0 EGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1c(Cl)cncc1Cl ZINC001225019057 1375089509 /nfs/dbraw/zinc/08/95/09/1375089509.db2.gz PWFCJNHBJPMOBP-MRVPVSSYSA-N -2 3 328.132 3.424 20 0 EGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1C ZINC000326552860 971302499 /nfs/dbraw/zinc/30/24/99/971302499.db2.gz WWNNCLXRHZMCSX-IZZDOVSWSA-N -2 3 345.420 3.456 20 0 EGADHL Cc1cccc([C@H](NC(=O)c2cc([O-])c3ccccc3c2)C(=O)[O-])c1 ZINC001594393679 970219256 /nfs/dbraw/zinc/21/92/56/970219256.db2.gz OPHJRQCENYATHL-SFHVURJKSA-N -2 3 335.359 3.410 20 0 EGADHL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000396350467 972860494 /nfs/dbraw/zinc/86/04/94/972860494.db2.gz DTZFYXRTGIQBQP-LBPRGKRZSA-N -2 3 345.420 3.164 20 0 EGADHL CC[C@@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)[O-] ZINC001594937577 982601091 /nfs/dbraw/zinc/60/10/91/982601091.db2.gz WRMPSNCNOCSATC-PRHODGIISA-N -2 3 335.297 3.062 20 0 EGADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c([O-])c1 ZINC001597500407 988056621 /nfs/dbraw/zinc/05/66/21/988056621.db2.gz LTVWBHGZWVGMKS-KRWDZBQOSA-N -2 3 327.380 3.127 20 0 EGADHL CC(C)(CS(=O)(=O)[N-]c1ccccc1-c1cccs1)C(=O)[O-] ZINC001590811916 990641324 /nfs/dbraw/zinc/64/13/24/990641324.db2.gz AOFQTEKWLLQLHO-UHFFFAOYSA-N -2 3 339.438 3.268 20 0 EGADHL Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C(=O)[O-] ZINC000362123928 144359657 /nfs/dbraw/zinc/35/96/57/144359657.db2.gz HXIOBTAKUAQTSD-UHFFFAOYSA-N -2 3 342.376 3.042 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1C(=O)[O-] ZINC000326663187 154185339 /nfs/dbraw/zinc/18/53/39/154185339.db2.gz HXQMFTVVZFTWKE-UHFFFAOYSA-N -2 3 349.408 3.281 20 0 EGADHL O=C([O-])CCOc1cccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000352020266 165194748 /nfs/dbraw/zinc/19/47/48/165194748.db2.gz GMTRFBLYKGWRIZ-DAXSKMNVSA-N -2 3 326.352 3.084 20 0 EGADHL CCc1c(C)sc2[n-]c(COc3ccccc3C(=O)[O-])nc(=O)c12 ZINC000194399129 266113930 /nfs/dbraw/zinc/11/39/30/266113930.db2.gz WJXLERIMUDYBTG-UHFFFAOYSA-N -2 3 344.392 3.133 20 0 EGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000181773807 275209211 /nfs/dbraw/zinc/20/92/11/275209211.db2.gz KHFRFWIJUSFDLO-CYBMUJFWSA-N -2 3 333.409 3.374 20 0 EGADHL C[C@@H](Oc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC000414074028 309059309 /nfs/dbraw/zinc/05/93/09/309059309.db2.gz MMZAFNYTFGQISZ-HVUAZKLTSA-N -2 3 326.352 3.082 20 0 EGADHL O=S(=O)(CCCCF)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000294288845 308207379 /nfs/dbraw/zinc/20/73/79/308207379.db2.gz UAGOVWKRXCCFBT-UHFFFAOYSA-N -2 3 337.416 3.474 20 0 EGADHL O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cc([O-])ccc1Cl ZINC000431860110 309645366 /nfs/dbraw/zinc/64/53/66/309645366.db2.gz UDUXJWYIJHXHED-UHFFFAOYSA-N -2 3 349.724 3.388 20 0 EGADHL O=C(Nc1cc(F)ccc1[O-])c1cc(F)cc(Br)c1[O-] ZINC000436851904 309777835 /nfs/dbraw/zinc/77/78/35/309777835.db2.gz NGDXQYITEQHMJD-UHFFFAOYSA-N -2 3 344.111 3.391 20 0 EGADHL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1 ZINC000511294079 312158390 /nfs/dbraw/zinc/15/83/90/312158390.db2.gz CWHDVRACKPRDSO-UHFFFAOYSA-N -2 3 349.408 3.318 20 0 EGADHL [O-]c1cccnc1CSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000518887363 312431555 /nfs/dbraw/zinc/43/15/55/312431555.db2.gz NKSVCJRUXNAQHT-UHFFFAOYSA-N -2 3 348.428 3.104 20 0 EGADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3cccc([O-])c3F)c2n1 ZINC000536611065 314130282 /nfs/dbraw/zinc/13/02/82/314130282.db2.gz JRSNCIQGHFBXJV-UHFFFAOYSA-N -2 3 332.356 3.189 20 0 EGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC000569634743 316940730 /nfs/dbraw/zinc/94/07/30/316940730.db2.gz HTEYABOOKRYBAP-UHFFFAOYSA-N -2 3 349.408 3.201 20 0 EGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2Cl)c1F ZINC000581108154 325330355 /nfs/dbraw/zinc/33/03/55/325330355.db2.gz PMWHAJYXNLCUBZ-UHFFFAOYSA-N -2 3 343.763 3.119 20 0 EGADHL Cc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000237844613 455224974 /nfs/dbraw/zinc/22/49/74/455224974.db2.gz NWARCCFGVGJVPR-UHFFFAOYSA-N -2 3 327.380 3.208 20 0 EGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1Cl ZINC000075082034 453858481 /nfs/dbraw/zinc/85/84/81/453858481.db2.gz PDWXMTXFKRKHAC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000047318137 454356810 /nfs/dbraw/zinc/35/68/10/454356810.db2.gz PWELAWXVQASKRN-UHFFFAOYSA-N -2 3 339.800 3.401 20 0 EGADHL O=C(Nc1cc(F)ccc1[O-])c1ccc(Br)c([O-])c1 ZINC000133577724 454441164 /nfs/dbraw/zinc/44/11/64/454441164.db2.gz PPHORVARMUADNT-UHFFFAOYSA-N -2 3 326.121 3.252 20 0 EGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000175687647 455481868 /nfs/dbraw/zinc/48/18/68/455481868.db2.gz KNZXPDTUVBJNMD-UHFFFAOYSA-N -2 3 348.424 3.022 20 0 EGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc(C(=O)[O-])c1C ZINC000348440738 456687800 /nfs/dbraw/zinc/68/78/00/456687800.db2.gz KGJPFXIQQNKHEI-UHFFFAOYSA-N -2 3 341.335 3.081 20 0 EGADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(F)cc3[O-])c[n-]c12 ZINC000342448895 457308625 /nfs/dbraw/zinc/30/86/25/457308625.db2.gz UJSOAXGHMSZDDX-UHFFFAOYSA-N -2 3 330.290 3.073 20 0 EGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000342634339 457418412 /nfs/dbraw/zinc/41/84/12/457418412.db2.gz JBCYTHDVXNANDJ-UHFFFAOYSA-N -2 3 327.789 3.163 20 0 EGADHL O=S(=O)([N-]c1ccccc1F)c1cc(C(F)(F)F)ccc1[O-] ZINC000436479299 458311371 /nfs/dbraw/zinc/31/13/71/458311371.db2.gz QFRMJLSVHXMWLF-UHFFFAOYSA-N -2 3 335.278 3.351 20 0 EGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCCc3ccccc32)cc1C(=O)[O-] ZINC000576156023 460081071 /nfs/dbraw/zinc/08/10/71/460081071.db2.gz SLDHCSQLBSJNMH-OAHLLOKOSA-N -2 3 349.408 3.032 20 0 EGADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc([O-])c3F)c[n-]c12 ZINC000672224851 548410460 /nfs/dbraw/zinc/41/04/60/548410460.db2.gz LEJMMBSHOOCHPQ-UHFFFAOYSA-N -2 3 330.290 3.073 20 0 EGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000738745238 576358216 /nfs/dbraw/zinc/35/82/16/576358216.db2.gz ORHHLZIIYMQYIW-UHFFFAOYSA-N -2 3 349.408 3.039 20 0 EGADHL CCc1cccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1[O-] ZINC000830260154 601290724 /nfs/dbraw/zinc/29/07/24/601290724.db2.gz UTYOVIBGIVLAQE-CYBMUJFWSA-N -2 3 325.364 3.173 20 0 EGADHL C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc(C(=O)[O-])o1 ZINC000833532036 605056542 /nfs/dbraw/zinc/05/65/42/605056542.db2.gz NXXCPXWLLLRINT-ZCFIWIBFSA-N -2 3 328.679 3.394 20 0 EGADHL O=S(=O)([N-]c1ccc(Br)cc1[O-])C1=CCCCC1 ZINC000829864032 1292632210 /nfs/dbraw/zinc/63/22/10/1292632210.db2.gz ITVWSQSNPHYNOF-UHFFFAOYSA-N -2 3 332.219 3.354 20 0 EGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C ZINC000182493275 1295053742 /nfs/dbraw/zinc/05/37/42/1295053742.db2.gz NLMXQAKXGRYIHC-UHFFFAOYSA-N -2 3 341.816 3.472 20 0 EGADHL O=C([O-])c1ccoc1COc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764441712 1302064342 /nfs/dbraw/zinc/06/43/42/1302064342.db2.gz JNYABQJDXUTPIP-ZZXKWVIFSA-N -2 3 338.319 3.223 20 0 EGADHL Cc1cc(C)c(C=CC=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)c1 ZINC000865225254 1329677716 /nfs/dbraw/zinc/67/77/16/1329677716.db2.gz ZLVBHDKSXFHFDA-KQQUZDAGSA-N -2 3 338.407 3.357 20 0 EGADHL CC=CC=CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825029250 1425488990 /nfs/dbraw/zinc/48/89/90/1425488990.db2.gz PNCYUANGPJDHOM-HOJFPOIOSA-N -2 3 338.396 3.061 20 0 EGADHL CC=CC=CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825029250 1425488993 /nfs/dbraw/zinc/48/89/93/1425488993.db2.gz PNCYUANGPJDHOM-HOJFPOIOSA-N -2 3 338.396 3.061 20 0 EGADHL O=C(CC1CCC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403850 1447187530 /nfs/dbraw/zinc/18/75/30/1447187530.db2.gz FXVZLQSAZRMTNN-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL O=C(CC1CCC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403850 1447187534 /nfs/dbraw/zinc/18/75/34/1447187534.db2.gz FXVZLQSAZRMTNN-UHFFFAOYSA-N -2 3 340.412 3.119 20 0 EGADHL CC(C)(C)CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001602861256 971718831 /nfs/dbraw/zinc/71/88/31/971718831.db2.gz OUENHYSEZWSZQA-AWEZNQCLSA-N -2 3 339.407 3.250 20 0 EGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000386117702 972031090 /nfs/dbraw/zinc/03/10/90/972031090.db2.gz AAALRLYPECNAIE-UHFFFAOYSA-N -2 3 347.751 3.188 20 0 EGADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259224478 960691837 /nfs/dbraw/zinc/69/18/37/960691837.db2.gz JDCZOMNFPMLIQF-QMMMGPOBSA-N -2 3 349.811 3.034 20 0 EGADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCCC1 ZINC000316822341 964060072 /nfs/dbraw/zinc/06/00/72/964060072.db2.gz KOOGFOXGCGUZAO-QMMMGPOBSA-N -2 3 349.811 3.034 20 0 EGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000793348771 978802986 /nfs/dbraw/zinc/80/29/86/978802986.db2.gz DSZGLQTZWHYORC-UHFFFAOYSA-N -2 3 343.763 3.287 20 0 EGADHL