smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000316923067 964074638 /nfs/dbraw/zinc/07/46/38/964074638.db2.gz ZZKKFNYCEXAKBM-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)cc1[O-] ZINC001608198986 1077607527 /nfs/dbraw/zinc/60/75/27/1077607527.db2.gz NEUXNXRCRBZPGY-CYBMUJFWSA-N -2 1 302.330 2.027 20 30 DEEDML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C#N ZINC001260189521 1144180697 /nfs/dbraw/zinc/18/06/97/1144180697.db2.gz INYUTPWQILWIPQ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C#Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189764 1144180908 /nfs/dbraw/zinc/18/09/08/1144180908.db2.gz CZYGKAMVEIZHFG-UHFFFAOYSA-N -2 1 301.323 2.167 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000319113152 303199509 /nfs/dbraw/zinc/19/95/09/303199509.db2.gz YLJGEXKUWXXJBQ-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185909067 796332236 /nfs/dbraw/zinc/33/22/36/796332236.db2.gz HDCVSWQXOYTURY-UHFFFAOYSA-N -2 1 315.350 2.475 20 30 DEEDML COC(=O)c1ccc([O-])c(C(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001192394100 797383030 /nfs/dbraw/zinc/38/30/30/797383030.db2.gz CUHYIBGCXGZSTD-UHFFFAOYSA-N -2 1 312.281 2.008 20 30 DEEDML N#Cc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[O-] ZINC001605597443 973899230 /nfs/dbraw/zinc/89/92/30/973899230.db2.gz QUOHHONKDWZZFP-HONMWMINSA-N -2 1 314.341 2.122 20 30 DEEDML C=CCCC[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])C(=O)[O-] ZINC001588792874 984213381 /nfs/dbraw/zinc/21/33/81/984213381.db2.gz OPIIUWAGLGOPEL-ZDUSSCGKSA-N -2 1 305.330 2.052 20 30 DEEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000114061293 401790099 /nfs/dbraw/zinc/79/00/99/401790099.db2.gz KOYUWSKEWBUYHA-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1F ZINC000427335755 405400111 /nfs/dbraw/zinc/40/01/11/405400111.db2.gz GIOSXOKWHFGAAP-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML Cc1cc(=O)[n-]c(NN=Cc2c[nH]c3ccc(C(=O)[O-])cc23)n1 ZINC000738463811 600180190 /nfs/dbraw/zinc/18/01/90/600180190.db2.gz OFXCKIHLGRVSSO-UHFFFAOYSA-N -2 1 311.301 2.116 20 30 DEEDML O=C([O-])c1occc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1O ZINC000833321836 601826824 /nfs/dbraw/zinc/82/68/24/601826824.db2.gz OJONJVFLVLHXAR-IWQZZHSRSA-N -2 1 302.238 2.278 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1cncc(Cl)n1)O2 ZINC000915958978 647820638 /nfs/dbraw/zinc/82/06/38/647820638.db2.gz GCQJFLKNMXDCNS-UHFFFAOYSA-N -2 1 304.693 2.145 20 30 DEEDML Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C#N ZINC001198778267 798394916 /nfs/dbraw/zinc/39/49/16/798394916.db2.gz FXGWTZCUQJUBDN-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1F ZINC001226781852 803158850 /nfs/dbraw/zinc/15/88/50/803158850.db2.gz NPBUMLYADNNQAO-SECBINFHSA-N -2 1 301.306 2.424 20 30 DEEDML C=C(C)C[C@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001573324039 962780232 /nfs/dbraw/zinc/78/02/32/962780232.db2.gz MHLTZPCJZUAYKK-AWEZNQCLSA-N -2 1 315.325 2.400 20 30 DEEDML C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001603187999 1069903568 /nfs/dbraw/zinc/90/35/68/1069903568.db2.gz RJJQRFZISHPTMX-MEDUHNTESA-N -2 1 324.336 2.456 20 30 DEEDML C=C(Cl)C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001573308305 1066000284 /nfs/dbraw/zinc/00/02/84/1066000284.db2.gz TUQAVWAVJIEYIK-SECBINFHSA-N -2 1 304.129 2.371 20 30 DEEDML Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC001600483244 1077209239 /nfs/dbraw/zinc/20/92/39/1077209239.db2.gz QZILQQCTXDFXHW-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1F ZINC000427133099 236889622 /nfs/dbraw/zinc/88/96/22/236889622.db2.gz KOIYBWZMMSNZQF-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC000350472202 404395055 /nfs/dbraw/zinc/39/50/55/404395055.db2.gz BFFSWAAAWBHIKY-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000179026949 224882448 /nfs/dbraw/zinc/88/24/48/224882448.db2.gz JIFWTXYAYLBQFX-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#CCN(C(=O)c1ccc(NC(=O)[O-])cc1[O-])C1CCCC1 ZINC000833966177 605648869 /nfs/dbraw/zinc/64/88/69/605648869.db2.gz AXGFFHHDJWKOBC-UHFFFAOYSA-N -2 1 303.318 2.390 20 30 DEEDML N#CCS(=O)(=O)[N-]c1c([O-])cc(C(F)(F)F)cc1Cl ZINC001192982137 797478481 /nfs/dbraw/zinc/47/84/81/797478481.db2.gz FUEAYRDNHXIIAL-UHFFFAOYSA-N -2 1 314.672 2.330 20 30 DEEDML N#Cc1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001157155827 798152567 /nfs/dbraw/zinc/15/25/67/798152567.db2.gz FCYIBLBFKOIXII-UHFFFAOYSA-N -2 1 315.269 2.038 20 30 DEEDML CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC001598512169 992575898 /nfs/dbraw/zinc/57/58/98/992575898.db2.gz RJKHKQVDMSWVDU-UHFFFAOYSA-N -2 1 310.309 2.234 20 30 DEEDML Cc1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)C(=O)[O-])cc1C ZINC001600384098 1077191369 /nfs/dbraw/zinc/19/13/69/1077191369.db2.gz KGIZYPREAHFHRU-INIZCTEOSA-N -2 1 324.336 2.436 20 30 DEEDML C#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC001260190864 1144180812 /nfs/dbraw/zinc/18/08/12/1144180812.db2.gz KBAOYEQXNYDITM-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(C#N)c1 ZINC001260297495 1144184492 /nfs/dbraw/zinc/18/44/92/1144184492.db2.gz IAPDEBMOCUJSHJ-UHFFFAOYSA-N -2 1 318.354 2.382 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000013340777 181845296 /nfs/dbraw/zinc/84/52/96/181845296.db2.gz CXOVXOCVZZFPRG-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1F ZINC000427130336 405390967 /nfs/dbraw/zinc/39/09/67/405390967.db2.gz HGMKKXBURHIORB-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML CC(=NNc1ccc(C(=O)[O-])cn1)c1cc(C(=O)[O-])ccc1O ZINC000763371546 604668472 /nfs/dbraw/zinc/66/84/72/604668472.db2.gz DFNBUVRCPYIRFE-UHFFFAOYSA-N -2 1 315.285 2.020 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1nccnc1Cl)O2 ZINC000733079069 647841674 /nfs/dbraw/zinc/84/16/74/647841674.db2.gz SGIHMHJDUCSUMC-UHFFFAOYSA-N -2 1 304.693 2.145 20 30 DEEDML CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC001589611562 987465740 /nfs/dbraw/zinc/46/57/40/987465740.db2.gz OZDCJRPJGBOHGH-CYBMUJFWSA-N -2 1 316.357 2.227 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1[O-] ZINC001258946999 1144056979 /nfs/dbraw/zinc/05/69/79/1144056979.db2.gz BNINFBMJSRSCLQ-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML N#Cc1ccc([O-])c(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1 ZINC000833977884 605660908 /nfs/dbraw/zinc/66/09/08/605660908.db2.gz UGNDFPCPHNOETB-UHFFFAOYSA-N -3 1 313.269 2.312 20 30 DEEDML O=C([O-])c1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000823392933 606368320 /nfs/dbraw/zinc/36/83/20/606368320.db2.gz VBHMRPMCCPTYKH-UHFFFAOYSA-N -2 1 314.330 2.072 20 30 DEEDML CCCCC[C@@H](CC)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000825266287 648733394 /nfs/dbraw/zinc/73/33/94/648733394.db2.gz DSTWTOJPNVSRBG-SECBINFHSA-N -2 1 316.369 2.006 20 30 DEEDML O=C([O-])c1coc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)c1 ZINC001602553361 1069674319 /nfs/dbraw/zinc/67/43/19/1069674319.db2.gz GCZVQCNELFPWIS-DUXPYHPUSA-N -2 1 302.238 2.278 20 30 DEEDML O=C([O-])c1coc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c1 ZINC001602553362 1069674760 /nfs/dbraw/zinc/67/47/60/1069674760.db2.gz GCZVQCNELFPWIS-RQOWECAXSA-N -2 1 302.238 2.278 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260627827 1144191725 /nfs/dbraw/zinc/19/17/25/1144191725.db2.gz RIJZMGIOFRFCQK-UHFFFAOYSA-N -2 1 306.318 2.345 20 30 DEEDML C=CCC(C)(C)CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000293858924 403583532 /nfs/dbraw/zinc/58/35/32/403583532.db2.gz VUENALXLKBAHEC-UHFFFAOYSA-N -2 1 316.361 2.077 20 30 DEEDML N#CCC1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000833968930 605932523 /nfs/dbraw/zinc/93/25/23/605932523.db2.gz PDDPJIXXJCOXDB-UHFFFAOYSA-N -2 1 303.318 2.248 20 30 DEEDML COC(=O)c1ccc([O-])c(C=NNc2ccccc2C(=O)[O-])c1 ZINC000726737283 636457778 /nfs/dbraw/zinc/45/77/78/636457778.db2.gz NMKHYCGFALVQFG-UHFFFAOYSA-N -2 1 314.297 2.323 20 30 DEEDML C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000844787758 651170145 /nfs/dbraw/zinc/17/01/45/651170145.db2.gz ZJZROKODBQMGMZ-JTQLQIEISA-N -2 1 321.757 2.177 20 30 DEEDML C=CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC001332172112 1149829685 /nfs/dbraw/zinc/82/96/85/1149829685.db2.gz JAKXZOQLVQVUJY-JTQLQIEISA-N -2 1 313.737 2.203 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198771645 798393554 /nfs/dbraw/zinc/39/35/54/798393554.db2.gz IONJSCWQYMTKRZ-UHFFFAOYSA-N -2 1 301.323 2.167 20 30 DEEDML CCc1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1C(=O)[O-] ZINC001597681953 988817217 /nfs/dbraw/zinc/81/72/17/988817217.db2.gz LTRZBMXIEJWERM-UHFFFAOYSA-N -2 1 317.326 2.233 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000336852333 403926971 /nfs/dbraw/zinc/92/69/71/403926971.db2.gz OLNOKCYIFQBPGZ-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc(C(=O)[O-])cc1 ZINC000833407574 605038520 /nfs/dbraw/zinc/03/85/20/605038520.db2.gz SXIUWGHHCNLJIJ-SNVBAGLBSA-N -2 1 301.302 2.278 20 30 DEEDML O=C([O-])c1cc(/C=C\C(=O)c2cc(O)ccc2[O-])ccc1O ZINC000809158935 646194495 /nfs/dbraw/zinc/19/44/95/646194495.db2.gz YOKVUJRLYTVMGD-RJRFIUFISA-N -2 1 300.266 2.398 20 30 DEEDML CC(N=Nc1ccc(C(=O)[O-])cn1)c1csc(C(=O)[O-])c1 ZINC000814890051 646941012 /nfs/dbraw/zinc/94/10/12/646941012.db2.gz GOPCAQOYQGCZCY-UHFFFAOYSA-N -2 1 305.315 2.376 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189317328 796806257 /nfs/dbraw/zinc/80/62/57/796806257.db2.gz FKKVXVIBNHDCGA-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594617139 956246934 /nfs/dbraw/zinc/24/69/34/956246934.db2.gz DNWMDSSDVNQPGX-HZPDHXFCSA-N -2 1 322.320 2.307 20 30 DEEDML N#Cc1cc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)ccc1[O-] ZINC001242563700 1139999681 /nfs/dbraw/zinc/99/96/81/1139999681.db2.gz JEABTXPSWDPMQH-UHFFFAOYSA-N -2 1 309.203 2.438 20 30 DEEDML O=C([O-])c1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)c[nH]1 ZINC000833322091 601826556 /nfs/dbraw/zinc/82/65/56/601826556.db2.gz VNZPOUDRWYRLKF-IWQZZHSRSA-N -2 1 301.254 2.013 20 30 DEEDML O=C([O-])c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)[nH]1 ZINC000833322220 601826645 /nfs/dbraw/zinc/82/66/45/601826645.db2.gz ZETCYCDOPMQNMF-ZZXKWVIFSA-N -2 1 301.254 2.013 20 30 DEEDML CCCCCCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000817420071 647291221 /nfs/dbraw/zinc/29/12/21/647291221.db2.gz MMJZWNHHHLQMKT-VIFPVBQESA-N -2 1 301.355 2.332 20 30 DEEDML C=C(CCC(=O)[O-])C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001573337766 962867807 /nfs/dbraw/zinc/86/78/07/962867807.db2.gz REVWIPNTDIOAKQ-UHFFFAOYSA-N -2 1 301.302 2.142 20 30 DEEDML CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598083387 990410671 /nfs/dbraw/zinc/41/06/71/990410671.db2.gz UIMRZFQLKVBLMP-OAHLLOKOSA-N -2 1 310.309 2.162 20 30 DEEDML O=C([O-])c1cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)c[nH]1 ZINC001602315880 1069601335 /nfs/dbraw/zinc/60/13/35/1069601335.db2.gz FMJFONDZWUITQG-RJRFIUFISA-N -2 1 301.254 2.013 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001610626169 1078053403 /nfs/dbraw/zinc/05/34/03/1078053403.db2.gz MWABOQKZJGHDNX-UHFFFAOYSA-N -2 1 322.280 2.091 20 30 DEEDML CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000088471616 185251979 /nfs/dbraw/zinc/25/19/79/185251979.db2.gz NNGSGYIDFZZASI-QMMMGPOBSA-N -2 1 302.739 2.082 20 30 DEEDML CCCC[C@H](CC)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000736438105 599239646 /nfs/dbraw/zinc/23/96/46/599239646.db2.gz LOBLYIKASWYNSX-VIFPVBQESA-N -2 1 316.369 2.006 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000736095460 600094371 /nfs/dbraw/zinc/09/43/71/600094371.db2.gz YIORCTGXZVRRNJ-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML Cc1c(C(=O)[O-])oc2c1C(=NNc1nc(C)cc(=O)[n-]1)CCC2 ZINC000915932299 647817482 /nfs/dbraw/zinc/81/74/82/647817482.db2.gz NSOQZDXLMYAKNK-UHFFFAOYSA-N -2 1 316.317 2.243 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197602891 798215709 /nfs/dbraw/zinc/21/57/09/798215709.db2.gz IKSFCTOQGUPUJT-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594617140 956246215 /nfs/dbraw/zinc/24/62/15/956246215.db2.gz DNWMDSSDVNQPGX-JKSUJKDBSA-N -2 1 322.320 2.307 20 30 DEEDML COc1cc(C(=O)[O-])ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC001607134612 1071340303 /nfs/dbraw/zinc/34/03/03/1071340303.db2.gz MWUKNSYSWMHEMS-UHFFFAOYSA-N -2 1 312.281 2.223 20 30 DEEDML Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC001607821790 1071569373 /nfs/dbraw/zinc/56/93/73/1071569373.db2.gz BLBAMBSYDSPYET-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#CC1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC001601054898 1077327513 /nfs/dbraw/zinc/32/75/13/1077327513.db2.gz BFBCSWKBBJKENW-UHFFFAOYSA-N -2 1 324.336 2.376 20 30 DEEDML N#Cc1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1[O-] ZINC001601092259 1077336439 /nfs/dbraw/zinc/33/64/39/1077336439.db2.gz NUTIIAHWXVOOIR-AWEZNQCLSA-N -2 1 316.357 2.275 20 30 DEEDML N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001190648280 1091948342 /nfs/dbraw/zinc/94/83/42/1091948342.db2.gz KOCJPYAYZHAXMT-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML N#Cc1ccc(CS(=O)(=O)[N-]c2c([O-])cc(F)cc2F)cc1 ZINC001260044547 1144172016 /nfs/dbraw/zinc/17/20/16/1144172016.db2.gz YIHMTPHJFONQLT-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML O=C([O-])c1ccc2c(C=NNc3cccc(C(=O)[O-])c3)n[nH]c2c1 ZINC000765543284 640792632 /nfs/dbraw/zinc/79/26/32/640792632.db2.gz PLKYWWASCUSDAI-UHFFFAOYSA-N -2 1 324.296 2.405 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC001189689559 796868794 /nfs/dbraw/zinc/86/87/94/796868794.db2.gz BYJROTFSUJHHDS-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML Cc1cc(O)cc([O-])c1C(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001193936322 797646068 /nfs/dbraw/zinc/64/60/68/797646068.db2.gz MCAZRZQTOQJIEK-UHFFFAOYSA-N -2 1 302.261 2.375 20 30 DEEDML N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198770277 798393259 /nfs/dbraw/zinc/39/32/59/798393259.db2.gz CFNUFLKXGMQELV-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1F ZINC001226781856 803158224 /nfs/dbraw/zinc/15/82/24/803158224.db2.gz NPBUMLYADNNQAO-VIFPVBQESA-N -2 1 301.306 2.424 20 30 DEEDML CCCCCCCS(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1 ZINC001595709070 982290550 /nfs/dbraw/zinc/29/05/50/982290550.db2.gz SIILODLFACHUPT-UHFFFAOYSA-N -2 1 314.407 2.421 20 30 DEEDML N#Cc1ccc(CS(=O)(=O)[N-]c2cccc(F)c2[O-])cc1 ZINC001260043753 1144172013 /nfs/dbraw/zinc/17/20/13/1144172013.db2.gz HMGOITCSVPXFBD-UHFFFAOYSA-N -2 1 306.318 2.345 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000192701278 600625525 /nfs/dbraw/zinc/62/55/25/600625525.db2.gz VEVAWUYQBXINIH-UHFFFAOYSA-N -2 1 315.350 2.096 20 30 DEEDML CC(=N[N-]c1oc(C)nc1C#N)c1cc([N+](=O)[O-])ccc1[O-] ZINC000758106367 639914476 /nfs/dbraw/zinc/91/44/76/639914476.db2.gz IFPHIGVJNAPRPM-UHFFFAOYSA-N -2 1 301.262 2.305 20 30 DEEDML CC[C@](NC(=O)c1cc([O-])cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595265501 980275776 /nfs/dbraw/zinc/27/57/76/980275776.db2.gz WYRRSDQNMVVCSI-GOSISDBHSA-N -2 1 324.336 2.384 20 30 DEEDML CC(C)(C)CCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001603071383 1069851410 /nfs/dbraw/zinc/85/14/10/1069851410.db2.gz MFYZRFNEZCFHEU-UHFFFAOYSA-N -2 1 316.369 2.006 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c([O-])c1 ZINC001259775074 1144127201 /nfs/dbraw/zinc/12/72/01/1144127201.db2.gz YIFXPLXMEVQGNL-UHFFFAOYSA-N -2 1 320.345 2.387 20 30 DEEDML COc1ccc([O-])c(S(=O)(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000342775051 403344171 /nfs/dbraw/zinc/34/41/71/403344171.db2.gz CZCLPIZYXQVNFG-UHFFFAOYSA-N -2 1 322.317 2.212 20 30 DEEDML O=C([O-])COc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000757467855 639821223 /nfs/dbraw/zinc/82/12/23/639821223.db2.gz NUJDLOYWCXXENL-XQRVVYSFSA-N -2 1 314.293 2.457 20 30 DEEDML O=C([O-])c1ccc2c(C=NNc3ccccc3C(=O)[O-])n[nH]c2c1 ZINC000765569999 640794337 /nfs/dbraw/zinc/79/43/37/640794337.db2.gz OEXYEOWKYMYQKB-UHFFFAOYSA-N -2 1 324.296 2.405 20 30 DEEDML C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000384974858 685412659 /nfs/dbraw/zinc/41/26/59/685412659.db2.gz PUNKIVSLTSHWEO-UHFFFAOYSA-N -2 1 319.329 2.154 20 30 DEEDML C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001588802389 984248851 /nfs/dbraw/zinc/24/88/51/984248851.db2.gz JDWTUPWPKVUJJX-UHFFFAOYSA-N -2 1 307.755 2.266 20 30 DEEDML CC(C)C[C@@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)C(=O)[O-] ZINC001573491944 1069016883 /nfs/dbraw/zinc/01/68/83/1069016883.db2.gz PSBNAIMDEVLBCD-INIZCTEOSA-N -2 1 304.346 2.131 20 30 DEEDML N#Cc1ccc(C(=O)NCCCCCCCC(=O)[O-])cc1[O-] ZINC001601091751 1077336003 /nfs/dbraw/zinc/33/60/03/1077336003.db2.gz BPJFQRMJBCAVOD-UHFFFAOYSA-N -2 1 304.346 2.419 20 30 DEEDML N#Cc1ccc(C(=O)NCC2(C(=O)[O-])CCCCC2)cc1[O-] ZINC001601092210 1077336187 /nfs/dbraw/zinc/33/61/87/1077336187.db2.gz MMSVWQMHTDZNBJ-UHFFFAOYSA-N -2 1 302.330 2.029 20 30 DEEDML N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000619461185 363804225 /nfs/dbraw/zinc/80/42/25/363804225.db2.gz QQIIVLZPWPCHEY-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000320697222 145375490 /nfs/dbraw/zinc/37/54/90/145375490.db2.gz NNDXOEAEDMWWFA-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1[O-] ZINC001594617773 956255283 /nfs/dbraw/zinc/25/52/83/956255283.db2.gz LANHRQMZXZCLLU-HNNXBMFYSA-N -2 1 322.320 2.088 20 30 DEEDML CC(C)(C)CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(=O)[O-] ZINC001588648435 959748904 /nfs/dbraw/zinc/74/89/04/959748904.db2.gz NJFWPAQRSULRBL-GFCCVEGCSA-N -2 1 304.346 2.273 20 30 DEEDML C=CCC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC001588743532 984037951 /nfs/dbraw/zinc/03/79/51/984037951.db2.gz ZLRASTOYNIXIOH-JTQLQIEISA-N -2 1 305.227 2.418 20 30 DEEDML C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001603188000 1069904151 /nfs/dbraw/zinc/90/41/51/1069904151.db2.gz RJJQRFZISHPTMX-ZBEGNZNMSA-N -2 1 324.336 2.456 20 30 DEEDML O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1[O-] ZINC001592804395 1076961063 /nfs/dbraw/zinc/96/10/63/1076961063.db2.gz YDYITMUFKPOIQW-ARJAWSKDSA-N -2 1 317.305 2.064 20 30 DEEDML O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1[O-] ZINC001592804395 1076961067 /nfs/dbraw/zinc/96/10/67/1076961067.db2.gz YDYITMUFKPOIQW-ARJAWSKDSA-N -2 1 317.305 2.064 20 30 DEEDML N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000193128934 225153117 /nfs/dbraw/zinc/15/31/17/225153117.db2.gz RIIMHBBFOKTWML-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML O=C([O-])c1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)c[nH]1 ZINC000833322090 601826370 /nfs/dbraw/zinc/82/63/70/601826370.db2.gz VNZPOUDRWYRLKF-HNQUOIGGSA-N -2 1 301.254 2.013 20 30 DEEDML Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ncnc2[nH]cnc21 ZINC000814813809 646932006 /nfs/dbraw/zinc/93/20/06/646932006.db2.gz JNYGFBSZCOYOKH-UHFFFAOYSA-N -2 1 310.317 2.114 20 30 DEEDML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([O-])cc2)c(C#N)c1 ZINC001195802706 797965642 /nfs/dbraw/zinc/96/56/42/797965642.db2.gz JUNLEGXTQAWIHR-UHFFFAOYSA-N -2 1 316.338 2.267 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC000586825219 357375320 /nfs/dbraw/zinc/37/53/20/357375320.db2.gz IFUSFJYARRSPPZ-UHFFFAOYSA-N -2 1 321.296 2.007 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000362307416 133223193 /nfs/dbraw/zinc/22/31/93/133223193.db2.gz ZXLRRQUUSYPJSV-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000389055033 600887841 /nfs/dbraw/zinc/88/78/41/600887841.db2.gz SNMQBAWEPZZNAE-UHFFFAOYSA-N -2 1 315.350 2.475 20 30 DEEDML CC[C@@H](NN=Cc1cc(C)cc(Br)c1[O-])C(=O)[O-] ZINC000793072259 644188677 /nfs/dbraw/zinc/18/86/77/644188677.db2.gz QVZXGMHPVQSQEJ-SNVBAGLBSA-N -2 1 315.167 2.250 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192035409 797309177 /nfs/dbraw/zinc/30/91/77/797309177.db2.gz SMZDJEPNUOBTLE-UHFFFAOYSA-N -2 1 315.565 2.333 20 30 DEEDML C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001588743533 984038130 /nfs/dbraw/zinc/03/81/30/984038130.db2.gz ZLRASTOYNIXIOH-SNVBAGLBSA-N -2 1 305.227 2.418 20 30 DEEDML CCC1CCC(NC(=O)c2ccc(C#N)c([O-])c2)(C(=O)[O-])CC1 ZINC001605156097 1070627851 /nfs/dbraw/zinc/62/78/51/1070627851.db2.gz ISHXTBJBVLWDKP-UHFFFAOYSA-N -2 1 316.357 2.417 20 30 DEEDML CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776722656 642201021 /nfs/dbraw/zinc/20/10/21/642201021.db2.gz VJDZPDMAVGOJOD-UHFFFAOYSA-N -2 1 315.333 2.037 20 30 DEEDML Cc1cc(=O)[n-]c(NN=Cc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000814681253 646920627 /nfs/dbraw/zinc/92/06/27/646920627.db2.gz DNMYEQWYGQDKOD-UHFFFAOYSA-N -2 1 300.318 2.252 20 30 DEEDML C=C(C)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000864452825 686725661 /nfs/dbraw/zinc/72/56/61/686725661.db2.gz TXCSUCUWGMYCBH-JTQLQIEISA-N -2 1 321.757 2.177 20 30 DEEDML C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184696687 796104904 /nfs/dbraw/zinc/10/49/04/796104904.db2.gz IORRTJZJERDRKM-UHFFFAOYSA-N -2 1 315.350 2.475 20 30 DEEDML N#Cc1ccc(C(=O)[O-])nc1C=Cc1ccc(-c2nn[n-]n2)s1 ZINC001592691426 1076952834 /nfs/dbraw/zinc/95/28/34/1076952834.db2.gz VJMCIPYODBRRFZ-DJWKRKHSSA-N -2 1 324.325 2.063 20 30 DEEDML O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccc(F)cc1[O-] ZINC001592804396 1076960827 /nfs/dbraw/zinc/96/08/27/1076960827.db2.gz YDYITMUFKPOIQW-ONEGZZNKSA-N -2 1 317.305 2.064 20 30 DEEDML O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccc(F)cc1[O-] ZINC001592804396 1076960829 /nfs/dbraw/zinc/96/08/29/1076960829.db2.gz YDYITMUFKPOIQW-ONEGZZNKSA-N -2 1 317.305 2.064 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000314794728 207374997 /nfs/dbraw/zinc/37/49/97/207374997.db2.gz VRBAHHBYBFZAOR-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000315620306 599905865 /nfs/dbraw/zinc/90/58/65/599905865.db2.gz WQONDZREXOEDMI-UHFFFAOYSA-N -2 1 315.350 2.475 20 30 DEEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000832848838 604399582 /nfs/dbraw/zinc/39/95/82/604399582.db2.gz OBGSSERBILRWBN-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML O=C([O-])COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1 ZINC000812445567 646656268 /nfs/dbraw/zinc/65/62/68/646656268.db2.gz ZYKFDPRZHOCJPM-UHFFFAOYSA-N -2 1 314.297 2.294 20 30 DEEDML C#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198783473 798389366 /nfs/dbraw/zinc/38/93/66/798389366.db2.gz XEBKRCNCYNPAHP-UHFFFAOYSA-N -2 1 301.323 2.167 20 30 DEEDML CSc1[n-]c(=O)c(C(=O)Nc2cccc(F)c2[O-])cc1C#N ZINC001635721381 1078457220 /nfs/dbraw/zinc/45/72/20/1078457220.db2.gz PTRJFJKXWUVFRG-UHFFFAOYSA-N -2 1 319.317 2.478 20 30 DEEDML CCCCCC[C@@H](C)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000821048979 599313643 /nfs/dbraw/zinc/31/36/43/599313643.db2.gz HZCXUFCIFMPWOK-SECBINFHSA-N -2 1 316.369 2.006 20 30 DEEDML C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186189183 796371366 /nfs/dbraw/zinc/37/13/66/796371366.db2.gz XASNEMWEEACOMJ-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML CCCCC[C@@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000821049701 599313311 /nfs/dbraw/zinc/31/33/11/599313311.db2.gz MWTUYADNLKVDSF-SECBINFHSA-N -2 1 316.369 2.006 20 30 DEEDML C[C@@H](C(=O)[O-])n1cccc1CN=Nc1ccc(C(=O)[O-])cc1 ZINC000833407573 605038473 /nfs/dbraw/zinc/03/84/73/605038473.db2.gz SXIUWGHHCNLJIJ-JTQLQIEISA-N -2 1 301.302 2.278 20 30 DEEDML Cc1cc(=O)[n-]c(NN=C2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC000814681615 646920353 /nfs/dbraw/zinc/92/03/53/646920353.db2.gz UGTXQQMFWGJZEZ-UHFFFAOYSA-N -2 1 312.329 2.341 20 30 DEEDML N#Cc1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001167935789 778931759 /nfs/dbraw/zinc/93/17/59/778931759.db2.gz RUCMXAMACHPZSM-UHFFFAOYSA-N -2 1 315.269 2.038 20 30 DEEDML C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239603 1069917393 /nfs/dbraw/zinc/91/73/93/1069917393.db2.gz QUZVJTSJUCLBFB-JIMOISOXSA-N -2 1 316.357 2.129 20 30 DEEDML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)cc1 ZINC001259177240 1144072548 /nfs/dbraw/zinc/07/25/48/1144072548.db2.gz MATUVNLEASKQOJ-UHFFFAOYSA-N -2 1 316.338 2.267 20 30 DEEDML C[C@H](C(=O)[O-])n1cccc1C=NNc1ccccc1C(=O)[O-] ZINC000833406222 605038966 /nfs/dbraw/zinc/03/89/66/605038966.db2.gz LUNGFZXDERSSIJ-SNVBAGLBSA-N -2 1 301.302 2.278 20 30 DEEDML C=CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000776597349 642191910 /nfs/dbraw/zinc/19/19/10/642191910.db2.gz PBQCAYFOIXQPAJ-SNVBAGLBSA-N -2 1 321.757 2.177 20 30 DEEDML Cc1cc(=O)[n-]c(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000916241517 647851249 /nfs/dbraw/zinc/85/12/49/647851249.db2.gz HMZJYYLQLWYRKL-UHFFFAOYSA-N -2 1 323.696 2.204 20 30 DEEDML O=C([O-])COc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000733206771 649454011 /nfs/dbraw/zinc/45/40/11/649454011.db2.gz QCJFKCAXHUEYNQ-VIZOYTHASA-N -2 1 312.277 2.472 20 30 DEEDML C=C(C)C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC001602757047 1069746516 /nfs/dbraw/zinc/74/65/16/1069746516.db2.gz DXVFCBNDUIZIGE-NSHDSACASA-N -2 1 309.343 2.131 20 30 DEEDML N#Cc1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1[O-] ZINC001608199995 1077607675 /nfs/dbraw/zinc/60/76/75/1077607675.db2.gz AUFLAAURWGVUMG-UHFFFAOYSA-N -2 1 316.357 2.419 20 30 DEEDML Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1C(=O)[O-] ZINC000315518989 404012303 /nfs/dbraw/zinc/01/23/03/404012303.db2.gz AEPSRXZLHVEYQI-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000314395497 625853898 /nfs/dbraw/zinc/85/38/98/625853898.db2.gz SMITZPUGGZADHE-UHFFFAOYSA-N -2 1 319.329 2.298 20 30 DEEDML C=C(C)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000910286674 645390914 /nfs/dbraw/zinc/39/09/14/645390914.db2.gz KGYLLDYCWWLPAE-SNVBAGLBSA-N -2 1 313.737 2.203 20 30 DEEDML O=C(CN=C([O-])c1cccn2c([O-])nnc12)NC1CCCCC1 ZINC000329081248 404223236 /nfs/dbraw/zinc/22/32/36/404223236.db2.gz DAWAPSNQVPRLEH-UHFFFAOYSA-N -2 1 317.349 2.029 20 30 DEEDML CCCCCC[C@H](C)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000821048980 599313879 /nfs/dbraw/zinc/31/38/79/599313879.db2.gz HZCXUFCIFMPWOK-VIFPVBQESA-N -2 1 316.369 2.006 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000739133751 600093290 /nfs/dbraw/zinc/09/32/90/600093290.db2.gz NPFMGANGYSFQHQ-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001611295977 970981489 /nfs/dbraw/zinc/98/14/89/970981489.db2.gz ZORQSRSUCVCAKK-CYBMUJFWSA-N -2 1 302.330 2.123 20 30 DEEDML N#Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1[O-] ZINC001605597444 973899041 /nfs/dbraw/zinc/89/90/41/973899041.db2.gz QUOHHONKDWZZFP-SWHYSGLUSA-N -2 1 314.341 2.122 20 30 DEEDML CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC001598512092 992575203 /nfs/dbraw/zinc/57/52/03/992575203.db2.gz KGWKLGARXQXIKM-UHFFFAOYSA-N -2 1 310.309 2.234 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761091 1144125857 /nfs/dbraw/zinc/12/58/57/1144125857.db2.gz KCSLBXBZVULVRY-UHFFFAOYSA-N -2 1 320.345 2.387 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000315620568 145360503 /nfs/dbraw/zinc/36/05/03/145360503.db2.gz NYJQFAWLZNVKBA-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000315528540 267290900 /nfs/dbraw/zinc/29/09/00/267290900.db2.gz KMRQUKNCJPCBTQ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)C(Cl)(Cl)Cl)ccc1[O-] ZINC001192035006 797309237 /nfs/dbraw/zinc/30/92/37/797309237.db2.gz MAXKDMVLFIRWGG-UHFFFAOYSA-N -2 1 315.565 2.333 20 30 DEEDML C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001602782633 971529455 /nfs/dbraw/zinc/52/94/55/971529455.db2.gz WSHZOMKYWTXHGO-GFCCVEGCSA-N -2 1 300.673 2.128 20 30 DEEDML CC1(C)CCC[C@@](NC(=O)c2ccc(C#N)c([O-])c2)(C(=O)[O-])C1 ZINC001593893091 996745583 /nfs/dbraw/zinc/74/55/83/996745583.db2.gz YCVOTAFREHKJEK-KRWDZBQOSA-N -2 1 316.357 2.417 20 30 DEEDML C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC001607451715 1071447065 /nfs/dbraw/zinc/44/70/65/1071447065.db2.gz JPQMKACXFLHKNA-GFCCVEGCSA-N -2 1 324.336 2.379 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c1 ZINC001601088783 1077335531 /nfs/dbraw/zinc/33/55/31/1077335531.db2.gz DFJRJLITLMVPBB-KGLIPLIRSA-N -2 1 302.330 2.027 20 30 DEEDML Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260182828 1144180638 /nfs/dbraw/zinc/18/06/38/1144180638.db2.gz QFKFLCSAABZWDG-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#CCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000619461164 363803408 /nfs/dbraw/zinc/80/34/08/363803408.db2.gz LKIBKLCEHIAVJH-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML CCCC[C@@H](CC)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000736438104 599240238 /nfs/dbraw/zinc/24/02/38/599240238.db2.gz LOBLYIKASWYNSX-SECBINFHSA-N -2 1 316.369 2.006 20 30 DEEDML CC(C)C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)CC(=O)[O-] ZINC001588894685 962230650 /nfs/dbraw/zinc/23/06/50/962230650.db2.gz UTBDNHGXTXLYRT-NSHDSACASA-N -2 1 304.346 2.131 20 30 DEEDML Cc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C(=O)[O-])cc1C ZINC001600384099 1077191291 /nfs/dbraw/zinc/19/12/91/1077191291.db2.gz KGIZYPREAHFHRU-MRXNPFEDSA-N -2 1 324.336 2.436 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259786917 1144128751 /nfs/dbraw/zinc/12/87/51/1144128751.db2.gz VOJIVIAPPSKXGL-UHFFFAOYSA-N -2 1 320.345 2.387 20 30 DEEDML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000336852340 403927202 /nfs/dbraw/zinc/92/72/02/403927202.db2.gz OPZZABDTMLFZAI-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ncccc1[N+](=O)[O-])O2 ZINC000759205760 640039295 /nfs/dbraw/zinc/03/92/95/640039295.db2.gz RHIUZUBNOFOACD-UHFFFAOYSA-N -2 1 314.257 2.005 20 30 DEEDML Cc1cc(=O)[n-]c(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)n1 ZINC000814681521 646920648 /nfs/dbraw/zinc/92/06/48/646920648.db2.gz PXFHJERXRBKZEO-MNOVXSKESA-N -2 1 306.366 2.415 20 30 DEEDML C=C(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000864452826 686725851 /nfs/dbraw/zinc/72/58/51/686725851.db2.gz TXCSUCUWGMYCBH-SNVBAGLBSA-N -2 1 321.757 2.177 20 30 DEEDML N#Cc1cc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c([O-])cc1F ZINC001154209802 797486146 /nfs/dbraw/zinc/48/61/46/797486146.db2.gz UIDFFSINNUJOGM-UHFFFAOYSA-N -2 1 312.260 2.237 20 30 DEEDML C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC001602757046 1069748023 /nfs/dbraw/zinc/74/80/23/1069748023.db2.gz DXVFCBNDUIZIGE-LLVKDONJSA-N -2 1 309.343 2.131 20 30 DEEDML C[C@H]1CC[C@@](NC(=O)c2cc([O-])cc(C#N)c2)(C(=O)[O-])CC1 ZINC001607463994 1071449735 /nfs/dbraw/zinc/44/97/35/1071449735.db2.gz SWMFZOAPQJGUEX-HZRBXJLLSA-N -2 1 302.330 2.027 20 30 DEEDML Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305084036 1147365167 /nfs/dbraw/zinc/36/51/67/1147365167.db2.gz FKDSULHEUVTYCH-UHFFFAOYSA-N -2 1 317.732 2.256 20 30 DEEDML C=C(C)C[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000864451960 686724216 /nfs/dbraw/zinc/72/42/16/686724216.db2.gz MBWKNNOBIVGJCT-QMMMGPOBSA-N -2 1 309.796 2.099 20 30 DEEDML N#Cc1cc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c([O-])cc1F ZINC001188289102 796648134 /nfs/dbraw/zinc/64/81/34/796648134.db2.gz QLBBEYMWTADMMI-UHFFFAOYSA-N -2 1 314.198 2.397 20 30 DEEDML N#Cc1cc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c([O-])cc1F ZINC001188289102 796648137 /nfs/dbraw/zinc/64/81/37/796648137.db2.gz QLBBEYMWTADMMI-UHFFFAOYSA-N -2 1 314.198 2.397 20 30 DEEDML N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cc1[O-] ZINC001601093582 1077337054 /nfs/dbraw/zinc/33/70/54/1077337054.db2.gz BCGFVVJEQNUGTB-AWEZNQCLSA-N -2 1 302.330 2.027 20 30 DEEDML O=C([O-])[C@@H]1CC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)O1 ZINC001602175825 1077520772 /nfs/dbraw/zinc/52/07/72/1077520772.db2.gz WMYKXVJOFZQHFV-CABCVRRESA-N -2 1 315.325 2.190 20 30 DEEDML N#Cc1ccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc1[O-] ZINC001608199117 1077607639 /nfs/dbraw/zinc/60/76/39/1077607639.db2.gz SHIVBBAJEBKNJZ-UHFFFAOYSA-N -2 1 324.336 2.033 20 30 DEEDML O=C([O-])c1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)o1 ZINC000833321767 601826669 /nfs/dbraw/zinc/82/66/69/601826669.db2.gz MGFCQKQNZPWIIS-DJWKRKHSSA-N -2 1 302.238 2.278 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC000833367064 604744658 /nfs/dbraw/zinc/74/46/58/604744658.db2.gz HZHMKLPDLGTWOE-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000749142804 605161287 /nfs/dbraw/zinc/16/12/87/605161287.db2.gz LUFMZROVIWFDJJ-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML N#CCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782713 798389679 /nfs/dbraw/zinc/38/96/79/798389679.db2.gz ORLNGHNBJFTAIO-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198790306 798390311 /nfs/dbraw/zinc/39/03/11/798390311.db2.gz RCQOUYDPOCNPHL-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198790026 798390835 /nfs/dbraw/zinc/39/08/35/798390835.db2.gz LMYMQAUGOQZYHB-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML CC[C@@](NC(=O)c1ccc(C#N)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595265787 980277735 /nfs/dbraw/zinc/27/77/35/980277735.db2.gz FAVHZAVIPCEWFT-SFHVURJKSA-N -2 1 324.336 2.384 20 30 DEEDML N#Cc1cccc(O[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC001643520345 1078803690 /nfs/dbraw/zinc/80/36/90/1078803690.db2.gz HDSYHDSEOLKYRI-UHFFFAOYSA-N -2 1 320.308 2.173 20 30 DEEDML N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000315973076 145361207 /nfs/dbraw/zinc/36/12/07/145361207.db2.gz YXUTZXXZBPXGPS-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000179027369 402566170 /nfs/dbraw/zinc/56/61/70/402566170.db2.gz UQQRALSEVIEUHN-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML O=C([O-])COc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000364893550 404543468 /nfs/dbraw/zinc/54/34/68/404543468.db2.gz QCJFKCAXHUEYNQ-CHHVJCJISA-N -2 1 312.277 2.472 20 30 DEEDML C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000393754593 685453735 /nfs/dbraw/zinc/45/37/35/685453735.db2.gz FKFSCWAGLXBFDH-SECBINFHSA-N -2 1 319.329 2.296 20 30 DEEDML Cc1ccc(C(=O)[O-])c(O)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC001600345583 1077184362 /nfs/dbraw/zinc/18/43/62/1077184362.db2.gz JLMCYODBNUROTN-UHFFFAOYSA-N -2 1 312.281 2.228 20 30 DEEDML N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001190648068 1091949028 /nfs/dbraw/zinc/94/90/28/1091949028.db2.gz RSOHTRKTXFCYSC-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML N#Cc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)ccc1F ZINC001259418841 1144093912 /nfs/dbraw/zinc/09/39/12/1144093912.db2.gz ULIXJDYQXKJNNB-UHFFFAOYSA-N -2 1 317.301 2.075 20 30 DEEDML COC(=O)c1ccc([O-])c(C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000726738230 636460150 /nfs/dbraw/zinc/46/01/50/636460150.db2.gz SJVBPHOGVDNIID-UHFFFAOYSA-N -2 1 314.297 2.323 20 30 DEEDML O=C([O-])COc1ccccc1CN=Nc1ccccc1C(=O)[O-] ZINC000812441910 646655383 /nfs/dbraw/zinc/65/53/83/646655383.db2.gz IUOFQFVJIPJBPE-UHFFFAOYSA-N -2 1 314.297 2.294 20 30 DEEDML C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000864453090 686725784 /nfs/dbraw/zinc/72/57/84/686725784.db2.gz WZXUQUIATIXYNW-SNVBAGLBSA-N -2 1 321.757 2.177 20 30 DEEDML N#Cc1ccc(NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)c([O-])c1 ZINC001152679472 797220942 /nfs/dbraw/zinc/22/09/42/797220942.db2.gz AZHUMXBEOZFXGU-UHFFFAOYSA-N -2 1 321.292 2.476 20 30 DEEDML N#Cc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1[O-] ZINC001605597442 973899534 /nfs/dbraw/zinc/89/95/34/973899534.db2.gz QUOHHONKDWZZFP-GDLCADMTSA-N -2 1 314.341 2.122 20 30 DEEDML COc1ccc([O-])c(C(=O)/C=C\c2cc(C(=O)[O-])n(C)c2)c1 ZINC001599598370 993778948 /nfs/dbraw/zinc/77/89/48/993778948.db2.gz KKSHAIBUMWBGQP-HYXAFXHYSA-N -2 1 301.298 2.334 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001601089163 1077335559 /nfs/dbraw/zinc/33/55/59/1077335559.db2.gz LZZAJEREUTWXKE-UHFFFAOYSA-N -2 1 322.320 2.161 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000013059516 303199537 /nfs/dbraw/zinc/19/95/37/303199537.db2.gz LIZPKLPLMSVZRE-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1F ZINC000739098943 599850685 /nfs/dbraw/zinc/85/06/85/599850685.db2.gz MKLUCODPOJIMTD-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#CCc1ccnc(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])c1 ZINC000831109569 604585530 /nfs/dbraw/zinc/58/55/30/604585530.db2.gz NKCYTGFKDCDCRU-UHFFFAOYSA-N -2 1 312.285 2.195 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833367063 605184776 /nfs/dbraw/zinc/18/47/76/605184776.db2.gz HXGZNQKPCYHQQD-UHFFFAOYSA-N -2 1 315.350 2.475 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc([N+](=O)[O-])cn1)O2 ZINC000915969667 647822375 /nfs/dbraw/zinc/82/23/75/647822375.db2.gz VIRVEMHSUAABOU-UHFFFAOYSA-N -2 1 314.257 2.005 20 30 DEEDML CC[C@H](NN=C(C)c1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000844598905 651147146 /nfs/dbraw/zinc/14/71/46/651147146.db2.gz WPWCTCIYRGNRNA-JTQLQIEISA-N -2 1 315.167 2.332 20 30 DEEDML N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001190937446 797107810 /nfs/dbraw/zinc/10/78/10/797107810.db2.gz LXQVONJYESYWOS-UHFFFAOYSA-N -2 1 309.734 2.113 20 30 DEEDML N#Cc1cccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1[O-] ZINC001193642131 797599528 /nfs/dbraw/zinc/59/95/28/797599528.db2.gz AYMNWSMLHVTVHA-UHFFFAOYSA-N -2 1 320.308 2.407 20 30 DEEDML C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588735596 984019312 /nfs/dbraw/zinc/01/93/12/984019312.db2.gz FVOWYWUQHXHFEC-SECBINFHSA-N -2 1 319.329 2.296 20 30 DEEDML CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598083385 990410517 /nfs/dbraw/zinc/41/05/17/990410517.db2.gz UIMRZFQLKVBLMP-HNNXBMFYSA-N -2 1 310.309 2.162 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)c1 ZINC001608197526 1077606781 /nfs/dbraw/zinc/60/67/81/1077606781.db2.gz DPCHAJZKGFESMD-HNNXBMFYSA-N -2 1 316.357 2.275 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC001608197521 1077606800 /nfs/dbraw/zinc/60/68/00/1077606800.db2.gz DFEOINAIGBARJM-UHFFFAOYSA-N -2 1 302.330 2.123 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2F)c([O-])c1 ZINC001259786983 1144128679 /nfs/dbraw/zinc/12/86/79/1144128679.db2.gz ZJYAVDIZOCCBDE-UHFFFAOYSA-N -2 1 320.345 2.387 20 30 DEEDML CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000088471617 185252108 /nfs/dbraw/zinc/25/21/08/185252108.db2.gz NNGSGYIDFZZASI-MRVPVSSYSA-N -2 1 302.739 2.082 20 30 DEEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000013262506 401798312 /nfs/dbraw/zinc/79/83/12/401798312.db2.gz CQLNZORZVGHFND-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000355865210 404373406 /nfs/dbraw/zinc/37/34/06/404373406.db2.gz ILNPKFWHKBTZMI-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2cnccc2Cl)ccc1[O-] ZINC001192894037 797466285 /nfs/dbraw/zinc/46/62/85/797466285.db2.gz SSZVTEXXPSYQJA-UHFFFAOYSA-N -2 1 309.734 2.113 20 30 DEEDML CCCCCCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590592919 1076657549 /nfs/dbraw/zinc/65/75/49/1076657549.db2.gz PATYINGFXIQOKZ-UHFFFAOYSA-N -2 1 316.369 2.151 20 30 DEEDML N#Cc1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1[O-] ZINC001601092261 1077336119 /nfs/dbraw/zinc/33/61/19/1077336119.db2.gz NUTIIAHWXVOOIR-CQSZACIVSA-N -2 1 316.357 2.275 20 30 DEEDML C#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC001260189670 1144180921 /nfs/dbraw/zinc/18/09/21/1144180921.db2.gz VNQPUAUSPVOUPD-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML Cc1cc(=O)[n-]c(NN=Cc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000783773040 643050675 /nfs/dbraw/zinc/05/06/75/643050675.db2.gz VIISPLOLYMPFCV-UHFFFAOYSA-N -2 1 306.709 2.288 20 30 DEEDML Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc([O-])c(F)cc1F ZINC001362516532 1152949950 /nfs/dbraw/zinc/94/99/50/1152949950.db2.gz QJVCUYYSRRJDLS-UHFFFAOYSA-N -2 1 305.240 2.203 20 30 DEEDML N#CCc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782087 798389521 /nfs/dbraw/zinc/38/95/21/798389521.db2.gz CCBUJBRUGJFWBA-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML C#CC(C#C)Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229806514 801323374 /nfs/dbraw/zinc/32/33/74/801323374.db2.gz VKLGQYNDTXAZJU-UHFFFAOYSA-N -2 1 306.273 2.371 20 30 DEEDML C#CC(C#C)Oc1cc2c([O-])c3c(=O)cccc-3oc2cc1[O-] ZINC001227309774 803229379 /nfs/dbraw/zinc/22/93/79/803229379.db2.gz QDZPHDZAARSELQ-UHFFFAOYSA-N -2 1 306.273 2.371 20 30 DEEDML C=C[C@H](Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001588702083 983918080 /nfs/dbraw/zinc/91/80/80/983918080.db2.gz IDSGOZGBMNOGGR-NSHDSACASA-N -2 1 316.279 2.225 20 30 DEEDML C=C[C@@H](Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1)C(=O)[O-] ZINC001588702082 983918353 /nfs/dbraw/zinc/91/83/53/983918353.db2.gz IDSGOZGBMNOGGR-LLVKDONJSA-N -2 1 316.279 2.225 20 30 DEEDML CCCCCC(C)(C)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001604168454 1070259576 /nfs/dbraw/zinc/25/95/76/1070259576.db2.gz CTWJBTRLCYBAGK-UHFFFAOYSA-N -2 1 316.369 2.006 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001610626655 1078053378 /nfs/dbraw/zinc/05/33/78/1078053378.db2.gz XZTPASFKHZVOPC-OAHLLOKOSA-N -2 1 316.357 2.417 20 30 DEEDML Cc1c(/C=C/C(=O)c2cc(C)ccc2[O-])c(C(=O)[O-])nn1C ZINC001600464812 1077206270 /nfs/dbraw/zinc/20/62/70/1077206270.db2.gz VFTKOQSPZIOFCQ-FNORWQNLSA-N -2 1 300.314 2.337 20 30 DEEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000315761484 145360526 /nfs/dbraw/zinc/36/05/26/145360526.db2.gz IFXZWTQQFMARAZ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML O=C([O-])COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1 ZINC000364715408 404512891 /nfs/dbraw/zinc/51/28/91/404512891.db2.gz VXDKRMPEAYBCHO-VIZOYTHASA-N -2 1 312.277 2.472 20 30 DEEDML C=CCC[C@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000837287444 650181668 /nfs/dbraw/zinc/18/16/68/650181668.db2.gz DZRFFMMPPPXFBZ-QMMMGPOBSA-N -2 1 309.796 2.099 20 30 DEEDML O=C([O-])COc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1 ZINC000797217792 644854208 /nfs/dbraw/zinc/85/42/08/644854208.db2.gz VXDKRMPEAYBCHO-CHHVJCJISA-N -2 1 312.277 2.472 20 30 DEEDML CCCCC[C@H](CC)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000825266288 648733068 /nfs/dbraw/zinc/73/30/68/648733068.db2.gz DSTWTOJPNVSRBG-VIFPVBQESA-N -2 1 316.369 2.006 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189824376 796889343 /nfs/dbraw/zinc/88/93/43/796889343.db2.gz FVZWPJGJWBLBHH-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML CC1(C)CCC[C@](NC(=O)c2ccc(C#N)c([O-])c2)(C(=O)[O-])C1 ZINC001593893096 996745640 /nfs/dbraw/zinc/74/56/40/996745640.db2.gz YCVOTAFREHKJEK-QGZVFWFLSA-N -2 1 316.357 2.417 20 30 DEEDML Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001455447451 1057716223 /nfs/dbraw/zinc/71/62/23/1057716223.db2.gz BLOJUGIBMFNFSD-UHFFFAOYSA-N -2 1 317.732 2.256 20 30 DEEDML CC[C@@H](C)CCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590407245 1076622581 /nfs/dbraw/zinc/62/25/81/1076622581.db2.gz MCLIPOOWSSQUGI-SECBINFHSA-N -2 1 316.369 2.006 20 30 DEEDML Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1C(=O)[O-] ZINC000336852430 403927232 /nfs/dbraw/zinc/92/72/32/403927232.db2.gz QOYOKDBNJISGQQ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C#Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1F ZINC001198779410 798394739 /nfs/dbraw/zinc/39/47/39/798394739.db2.gz PBMRXOHNNNLTCZ-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000047030381 401978017 /nfs/dbraw/zinc/97/80/17/401978017.db2.gz FMCLUYBSSRKOIP-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML CCCCC[C@H](C)CC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000821049702 599313738 /nfs/dbraw/zinc/31/37/38/599313738.db2.gz MWTUYADNLKVDSF-VIFPVBQESA-N -2 1 316.369 2.006 20 30 DEEDML O=C([O-])COc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000757467852 639821760 /nfs/dbraw/zinc/82/17/60/639821760.db2.gz NUJDLOYWCXXENL-GQCTYLIASA-N -2 1 314.293 2.457 20 30 DEEDML N#Cc1nc(NC(=O)c2cc([O-])ccc2C(F)(F)F)[n-]c1C#N ZINC001363149272 1153242927 /nfs/dbraw/zinc/24/29/27/1153242927.db2.gz AYUWADDNVXCCEL-UHFFFAOYSA-N -2 1 321.218 2.130 20 30 DEEDML C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001602782641 971529356 /nfs/dbraw/zinc/52/93/56/971529356.db2.gz WSHZOMKYWTXHGO-LBPRGKRZSA-N -2 1 300.673 2.128 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001610626654 1078053819 /nfs/dbraw/zinc/05/38/19/1078053819.db2.gz XZTPASFKHZVOPC-HNNXBMFYSA-N -2 1 316.357 2.417 20 30 DEEDML N#Cc1ccc(C(=O)[O-])nc1C=Cc1ccc(-c2nn[n-]n2)s1 ZINC001592691427 1076953713 /nfs/dbraw/zinc/95/37/13/1076953713.db2.gz VJMCIPYODBRRFZ-GORDUTHDSA-N -2 1 324.325 2.063 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000318968245 145370341 /nfs/dbraw/zinc/37/03/41/145370341.db2.gz GLHQCRFPPJOSKT-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1C#N ZINC000319900184 145372757 /nfs/dbraw/zinc/37/27/57/145372757.db2.gz DWCBMIYGYMGQHQ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML O=C([O-])c1ccc(NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000823387467 606368092 /nfs/dbraw/zinc/36/80/92/606368092.db2.gz KZUYVRFQAUNAHT-UHFFFAOYSA-N -2 1 314.330 2.072 20 30 DEEDML O=C([O-])COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000757467569 639821422 /nfs/dbraw/zinc/82/14/22/639821422.db2.gz FYYXZJQIKYQOBX-CLTKARDFSA-N -2 1 314.293 2.457 20 30 DEEDML CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776757487 642204501 /nfs/dbraw/zinc/20/45/01/642204501.db2.gz QZOGHNXGNGRFLE-UHFFFAOYSA-N -2 1 304.281 2.164 20 30 DEEDML N#Cc1ccc(CS(=O)(=O)[N-]c2c([O-])cccc2C#N)cc1 ZINC001260044938 1144172780 /nfs/dbraw/zinc/17/27/80/1144172780.db2.gz RVRYXNBTTDAOSH-UHFFFAOYSA-N -2 1 313.338 2.077 20 30 DEEDML N#Cc1ccsc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000739141860 600536366 /nfs/dbraw/zinc/53/63/66/600536366.db2.gz AVINYXDBZJBQDF-UHFFFAOYSA-N -2 1 322.371 2.131 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cn2)ccc1[O-] ZINC001196245211 798031925 /nfs/dbraw/zinc/03/19/25/798031925.db2.gz LPUDEBURVWCJOT-UHFFFAOYSA-N -2 1 309.734 2.113 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000614297124 362340375 /nfs/dbraw/zinc/34/03/75/362340375.db2.gz PSYYVURYJMAZSE-UHFFFAOYSA-N -2 1 322.349 2.457 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000318973901 145370471 /nfs/dbraw/zinc/37/04/71/145370471.db2.gz HKEXQDLRKYVSBB-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000763368312 604668384 /nfs/dbraw/zinc/66/83/84/604668384.db2.gz LLRZMGWNLODTIN-UHFFFAOYSA-N -2 1 316.273 2.230 20 30 DEEDML C=C(C)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000864451958 686724543 /nfs/dbraw/zinc/72/45/43/686724543.db2.gz MBWKNNOBIVGJCT-MRVPVSSYSA-N -2 1 309.796 2.099 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)n2)ccc1[O-] ZINC001198234535 798301610 /nfs/dbraw/zinc/30/16/10/798301610.db2.gz NXPOYDOJURFDMJ-UHFFFAOYSA-N -2 1 309.734 2.113 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198730619 798382756 /nfs/dbraw/zinc/38/27/56/798382756.db2.gz RYDPATASAJUIHC-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1C#N ZINC001198783009 798389826 /nfs/dbraw/zinc/38/98/26/798389826.db2.gz UVUBKTCGCLJSMS-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C[C@](CNC(=O)c1cc([O-])cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589064723 955745930 /nfs/dbraw/zinc/74/59/30/955745930.db2.gz ZFZNJHDBKHAELP-GOSISDBHSA-N -2 1 324.336 2.036 20 30 DEEDML Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221522 1144182224 /nfs/dbraw/zinc/18/22/24/1144182224.db2.gz YOWRAHPOJLASAR-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227673 1144182438 /nfs/dbraw/zinc/18/24/38/1144182438.db2.gz SGPJTHPZVRCWJR-UHFFFAOYSA-N -2 1 301.323 2.167 20 30 DEEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000336863096 403936397 /nfs/dbraw/zinc/93/63/97/403936397.db2.gz MKSPWYKQUQZLRW-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000013464610 264010776 /nfs/dbraw/zinc/01/07/76/264010776.db2.gz OWKOOKQXKANVQD-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C(=O)[O-])ccc1C ZINC000788408050 643605790 /nfs/dbraw/zinc/60/57/90/643605790.db2.gz KSCDPORYEVYFTI-UHFFFAOYSA-N -2 1 300.318 2.333 20 30 DEEDML Cc1cc(=O)[n-]c(NN=C2CC[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000788928959 643661072 /nfs/dbraw/zinc/66/10/72/643661072.db2.gz POCPRIFMBZTGOJ-LBPRGKRZSA-N -2 1 312.329 2.269 20 30 DEEDML C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000393754595 685453406 /nfs/dbraw/zinc/45/34/06/685453406.db2.gz FKFSCWAGLXBFDH-VIFPVBQESA-N -2 1 319.329 2.296 20 30 DEEDML CSc1[n-]c(=O)c(C(=O)Nc2cccc([O-])c2F)cc1C#N ZINC001446242777 1184280974 /nfs/dbraw/zinc/28/09/74/1184280974.db2.gz VHSYYAQSCVZGKC-UHFFFAOYSA-N -2 1 319.317 2.478 20 30 DEEDML N#C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cccc(F)c1 ZINC001226782037 803158203 /nfs/dbraw/zinc/15/82/03/803158203.db2.gz OOVAPGMLYZGDFV-SECBINFHSA-N -2 1 301.306 2.424 20 30 DEEDML C=C(C)C[C@@H](NC(=O)c1ccc2ccc(O)cc2c1[O-])C(=O)[O-] ZINC001573324040 962779501 /nfs/dbraw/zinc/77/95/01/962779501.db2.gz MHLTZPCJZUAYKK-CQSZACIVSA-N -2 1 315.325 2.400 20 30 DEEDML CC[C@](NC(=O)c1ccc(C#N)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595265786 980277590 /nfs/dbraw/zinc/27/75/90/980277590.db2.gz FAVHZAVIPCEWFT-GOSISDBHSA-N -2 1 324.336 2.384 20 30 DEEDML N#Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1[O-] ZINC001610626386 1078053559 /nfs/dbraw/zinc/05/35/59/1078053559.db2.gz JBVKPVSGMISKAD-MRXNPFEDSA-N -2 1 322.320 2.088 20 30 DEEDML Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000013349094 401799487 /nfs/dbraw/zinc/79/94/87/401799487.db2.gz VMTZIWQFOHVJEG-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML CC[C@H](C#N)S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000416958435 404976481 /nfs/dbraw/zinc/97/64/81/404976481.db2.gz PACJQTWJDFRCPE-MRVPVSSYSA-N -2 1 316.766 2.391 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(Cl)nn1)O2 ZINC000915939869 647821737 /nfs/dbraw/zinc/82/17/37/647821737.db2.gz SCLMOQISPYLOFP-UHFFFAOYSA-N -2 1 304.693 2.145 20 30 DEEDML CC[C@@H](NN=C(C)c1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000844598906 651147000 /nfs/dbraw/zinc/14/70/00/651147000.db2.gz WPWCTCIYRGNRNA-SNVBAGLBSA-N -2 1 315.167 2.332 20 30 DEEDML N=C(c1ccccc1N)N([O-])C(=O)Cc1ccc([S-])cc1 ZINC001183188870 795819258 /nfs/dbraw/zinc/81/92/58/795819258.db2.gz MJDVKOCAHUXUDE-UHFFFAOYSA-N -2 1 301.371 2.343 20 30 DEEDML N#CCc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198772411 798393132 /nfs/dbraw/zinc/39/31/32/798393132.db2.gz KZIRZMDXKKCCPU-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML C[C@@](CNC(=O)c1cc([O-])cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589064724 955746466 /nfs/dbraw/zinc/74/64/66/955746466.db2.gz ZFZNJHDBKHAELP-SFHVURJKSA-N -2 1 324.336 2.036 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC001610626570 1078053810 /nfs/dbraw/zinc/05/38/10/1078053810.db2.gz WQIYHJJVSVKTJL-UHFFFAOYSA-N -2 1 302.330 2.029 20 30 DEEDML CC[C@H](C)CCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590407246 1076622346 /nfs/dbraw/zinc/62/23/46/1076622346.db2.gz MCLIPOOWSSQUGI-VIFPVBQESA-N -2 1 316.369 2.006 20 30 DEEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000013027531 401795567 /nfs/dbraw/zinc/79/55/67/401795567.db2.gz GHOHXNZGMXTTCL-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1F ZINC000387927287 333185426 /nfs/dbraw/zinc/18/54/26/333185426.db2.gz ZXTJVMYNOQMMRO-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C=CCCCN(CC)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000890814190 623273510 /nfs/dbraw/zinc/27/35/10/623273510.db2.gz YBOSNZLUSSCBNW-UHFFFAOYSA-N -2 1 316.361 2.173 20 30 DEEDML CCCCCCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000817420070 647291416 /nfs/dbraw/zinc/29/14/16/647291416.db2.gz MMJZWNHHHLQMKT-SECBINFHSA-N -2 1 301.355 2.332 20 30 DEEDML O=C([O-])c1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)c[nH]1 ZINC001602315879 1069601281 /nfs/dbraw/zinc/60/12/81/1069601281.db2.gz FMJFONDZWUITQG-DAFODLJHSA-N -2 1 301.254 2.013 20 30 DEEDML C=C(Cl)C[C@H](NC(=O)c1cc(Cl)ccc1[O-])C(=O)[O-] ZINC001573308306 1066000456 /nfs/dbraw/zinc/00/04/56/1066000456.db2.gz TUQAVWAVJIEYIK-VIFPVBQESA-N -2 1 304.129 2.371 20 30 DEEDML CC(C)C[C@](C)(CNC(=O)c1ccc(C#N)c([O-])c1)C(=O)[O-] ZINC001573491954 1069015221 /nfs/dbraw/zinc/01/52/21/1069015221.db2.gz PSBNAIMDEVLBCD-MRXNPFEDSA-N -2 1 304.346 2.131 20 30 DEEDML O=C([O-])c1occc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000833321835 601826519 /nfs/dbraw/zinc/82/65/19/601826519.db2.gz OJONJVFLVLHXAR-HNQUOIGGSA-N -2 1 302.238 2.278 20 30 DEEDML COC(=O)c1ccc([O-])c(C=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000726737495 636458221 /nfs/dbraw/zinc/45/82/21/636458221.db2.gz HEGLIJZLZAKBIH-UHFFFAOYSA-N -2 1 314.297 2.323 20 30 DEEDML C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1cccc(C#N)c1 ZINC001180175981 795248299 /nfs/dbraw/zinc/24/82/99/795248299.db2.gz GVDGUWVNNFHPJZ-ZETCQYMHSA-N -2 1 318.226 2.091 20 30 DEEDML N#Cc1cccnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001157156632 798151918 /nfs/dbraw/zinc/15/19/18/798151918.db2.gz MBZHXETWNSLPEG-UHFFFAOYSA-N -2 1 315.269 2.038 20 30 DEEDML N#C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cccc(F)c1 ZINC001226782050 803159059 /nfs/dbraw/zinc/15/90/59/803159059.db2.gz OOVAPGMLYZGDFV-VIFPVBQESA-N -2 1 301.306 2.424 20 30 DEEDML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135371307 958888742 /nfs/dbraw/zinc/88/87/42/958888742.db2.gz GDYGOQTUBXSGAE-UHFFFAOYSA-N -2 1 324.289 2.098 20 30 DEEDML C=CCCC[C@@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C(=O)[O-] ZINC001588793866 984222555 /nfs/dbraw/zinc/22/25/55/984222555.db2.gz DRHISZKRCZZTSU-LLVKDONJSA-N -2 1 321.377 2.153 20 30 DEEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000319613404 145372276 /nfs/dbraw/zinc/37/22/76/145372276.db2.gz BAVVVGJACRSKTH-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC000320065190 145373476 /nfs/dbraw/zinc/37/34/76/145373476.db2.gz WHIPHXJXCRSTCU-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000184631439 224939680 /nfs/dbraw/zinc/93/96/80/224939680.db2.gz APTCVMBIFRTYBJ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML CC[C@H](NN=Cc1cc(C)cc(Br)c1[O-])C(=O)[O-] ZINC000793072150 644188177 /nfs/dbraw/zinc/18/81/77/644188177.db2.gz QVZXGMHPVQSQEJ-JTQLQIEISA-N -2 1 315.167 2.250 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189456436 796833899 /nfs/dbraw/zinc/83/38/99/796833899.db2.gz VIUDPWSBHAHWRD-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML COc1cccc(CS(=O)(=O)[N-]c2c([O-])cccc2C#N)c1 ZINC001197382437 798179432 /nfs/dbraw/zinc/17/94/32/798179432.db2.gz CYHBEQQBRPUEGB-UHFFFAOYSA-N -2 1 318.354 2.214 20 30 DEEDML COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1C(=O)[O-] ZINC001607179154 1071356132 /nfs/dbraw/zinc/35/61/32/1071356132.db2.gz SXADYHQDKHYHLP-UHFFFAOYSA-N -2 1 312.281 2.223 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001601089637 1077335802 /nfs/dbraw/zinc/33/58/02/1077335802.db2.gz UFTOEEHKXPRUFG-CQSZACIVSA-N -2 1 308.293 2.092 20 30 DEEDML N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000320115479 145374034 /nfs/dbraw/zinc/37/40/34/145374034.db2.gz HFKWDWPHKIOPKW-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML CC(=NNc1ccc(C(=O)[O-])cn1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000763371611 604667731 /nfs/dbraw/zinc/66/77/31/604667731.db2.gz GDEVDKWXMYKCAX-UHFFFAOYSA-N -2 1 316.273 2.230 20 30 DEEDML C=CCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000909716672 645181284 /nfs/dbraw/zinc/18/12/84/645181284.db2.gz AJGRPPQCAZIRAL-SNVBAGLBSA-N -2 1 313.737 2.203 20 30 DEEDML C=C(C)C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])C(=O)[O-] ZINC001588548334 983624149 /nfs/dbraw/zinc/62/41/49/983624149.db2.gz TVHAKRZLIKJSGS-GFCCVEGCSA-N -2 1 300.314 2.090 20 30 DEEDML COC(=O)c1c[n-]c(SCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001598917298 997498213 /nfs/dbraw/zinc/49/82/13/997498213.db2.gz NAJYJXDSNHLRKI-UHFFFAOYSA-N -2 1 317.326 2.058 20 30 DEEDML C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001603187997 1069904423 /nfs/dbraw/zinc/90/44/23/1069904423.db2.gz RJJQRFZISHPTMX-BDJLRTHQSA-N -2 1 324.336 2.456 20 30 DEEDML C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC001607451914 1071447469 /nfs/dbraw/zinc/44/74/69/1071447469.db2.gz WSYXECPBCXONIO-GFCCVEGCSA-N -2 1 324.336 2.379 20 30 DEEDML N#Cc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])cc1[O-] ZINC001601093521 1077336663 /nfs/dbraw/zinc/33/66/63/1077336663.db2.gz STUUHQORTHTTJM-OLZOCXBDSA-N -2 1 302.330 2.027 20 30 DEEDML C=CCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000282110596 403123776 /nfs/dbraw/zinc/12/37/76/403123776.db2.gz WVSICJOPNMVWBI-UHFFFAOYSA-N -2 1 313.375 2.490 20 30 DEEDML Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1C(=O)[O-] ZINC000336852009 403924986 /nfs/dbraw/zinc/92/49/86/403924986.db2.gz HNOVEXRHWCARGC-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000825642069 601856291 /nfs/dbraw/zinc/85/62/91/601856291.db2.gz GQFZJPKAIKIREK-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML CC(C)CCCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC000820072924 606184605 /nfs/dbraw/zinc/18/46/05/606184605.db2.gz NPWLJSNTHZLZEE-UHFFFAOYSA-N -2 1 316.369 2.006 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1cc(Cl)nc(C)n1)O2 ZINC000741766593 638009982 /nfs/dbraw/zinc/00/99/82/638009982.db2.gz NDVWGZKREHAKIQ-UHFFFAOYSA-N -2 1 318.720 2.453 20 30 DEEDML N#Cc1ccc([O-])c(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000759720668 640108089 /nfs/dbraw/zinc/10/80/89/640108089.db2.gz RJLMVBUZDAPECL-UHFFFAOYSA-N -2 1 305.293 2.358 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198778547 798395304 /nfs/dbraw/zinc/39/53/04/798395304.db2.gz GNQQFTFDCMZGMJ-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML COc1cc(C(=O)[O-])ccc1N=NCc1cc(C)c(C(=O)[O-])[nH]1 ZINC001599376391 998492664 /nfs/dbraw/zinc/49/26/64/998492664.db2.gz SCNNUZPEYHOMBV-UHFFFAOYSA-N -2 1 317.301 2.174 20 30 DEEDML N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001258279278 1143988659 /nfs/dbraw/zinc/98/86/59/1143988659.db2.gz XUTMOQIEZMKRQC-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC001259253697 1144079566 /nfs/dbraw/zinc/07/95/66/1144079566.db2.gz KLUBCLNTASVCLP-UHFFFAOYSA-N -2 1 306.318 2.345 20 30 DEEDML Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1C#N ZINC001260190037 1144180988 /nfs/dbraw/zinc/18/09/88/1144180988.db2.gz XFUMRVSHIWGCRI-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C=CCC[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000570340918 406380384 /nfs/dbraw/zinc/38/03/84/406380384.db2.gz TVLPGSNCQCXUGG-NSHDSACASA-N -2 1 309.343 2.131 20 30 DEEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ncncc1Cl)O2 ZINC000780280229 642607621 /nfs/dbraw/zinc/60/76/21/642607621.db2.gz NDXLTDIASYARCF-UHFFFAOYSA-N -2 1 304.693 2.145 20 30 DEEDML COc1cc(C(=O)[O-])ccc1N=NCc1cc(C(=O)[O-])c(C)[nH]1 ZINC000800815022 645307689 /nfs/dbraw/zinc/30/76/89/645307689.db2.gz JGKCSRDLCAWKDI-UHFFFAOYSA-N -2 1 317.301 2.174 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1 ZINC001608197631 1077606938 /nfs/dbraw/zinc/60/69/38/1077606938.db2.gz KCYIQZBYBMDQJX-CQSZACIVSA-N -2 1 302.330 2.027 20 30 DEEDML O=C([O-])COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000757467570 639821615 /nfs/dbraw/zinc/82/16/15/639821615.db2.gz FYYXZJQIKYQOBX-XVNBXDOJSA-N -2 1 314.293 2.457 20 30 DEEDML O=C([O-])COc1cccc(CN=Nc2ccccc2C(=O)[O-])c1 ZINC000733202176 649452631 /nfs/dbraw/zinc/45/26/31/649452631.db2.gz WXLWTIDTDSAXKN-UHFFFAOYSA-N -2 1 314.297 2.294 20 30 DEEDML C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000844787759 651170303 /nfs/dbraw/zinc/17/03/03/651170303.db2.gz ZJZROKODBQMGMZ-SNVBAGLBSA-N -2 1 321.757 2.177 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2cccnc2Cl)ccc1[O-] ZINC001184875138 796146069 /nfs/dbraw/zinc/14/60/69/796146069.db2.gz HMDBIZRHRWCVKN-UHFFFAOYSA-N -2 1 309.734 2.113 20 30 DEEDML Cc1noc([N-]C(=O)c2c([O-])c(F)c(F)c(F)c2F)c1C#N ZINC001195278615 797864528 /nfs/dbraw/zinc/86/45/28/797864528.db2.gz LUDYLRMFIXMWPS-UHFFFAOYSA-N -2 1 315.182 2.369 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001594617136 956246977 /nfs/dbraw/zinc/24/69/77/956246977.db2.gz DNWMDSSDVNQPGX-HOTGVXAUSA-N -2 1 322.320 2.307 20 30 DEEDML N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1[O-] ZINC001601093583 1077337100 /nfs/dbraw/zinc/33/71/00/1077337100.db2.gz BCGFVVJEQNUGTB-CQSZACIVSA-N -2 1 302.330 2.027 20 30 DEEDML N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)cc1[O-] ZINC001608198987 1077607532 /nfs/dbraw/zinc/60/75/32/1077607532.db2.gz NEUXNXRCRBZPGY-ZDUSSCGKSA-N -2 1 302.330 2.027 20 30 DEEDML N#Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189214 1144180517 /nfs/dbraw/zinc/18/05/17/1144180517.db2.gz MUBIEXUJJFZUOJ-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000020556840 182231768 /nfs/dbraw/zinc/23/17/68/182231768.db2.gz VBVSWHNWHUEBFT-UHFFFAOYSA-N -2 1 301.323 2.167 20 30 DEEDML CC[C@@H](C#N)S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000416958439 286724015 /nfs/dbraw/zinc/72/40/15/286724015.db2.gz PACJQTWJDFRCPE-QMMMGPOBSA-N -2 1 316.766 2.391 20 30 DEEDML N#CC1(NC(=O)c2ccc(NC(=O)[O-])cc2[O-])CCSCC1 ZINC000833963748 605660805 /nfs/dbraw/zinc/66/08/05/605660805.db2.gz UHIRNQYZBVKOJH-UHFFFAOYSA-N -2 1 321.358 2.001 20 30 DEEDML Cc1cc(=O)[n-]c(NN=Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC000814682316 646920869 /nfs/dbraw/zinc/92/08/69/646920869.db2.gz INRTXXHCMFWJJN-UHFFFAOYSA-N -2 1 306.709 2.288 20 30 DEEDML C=CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC001332172113 1149829870 /nfs/dbraw/zinc/82/98/70/1149829870.db2.gz JAKXZOQLVQVUJY-SNVBAGLBSA-N -2 1 313.737 2.203 20 30 DEEDML N#Cc1ccnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167931652 778916024 /nfs/dbraw/zinc/91/60/24/778916024.db2.gz GOTPDZCBSNROHT-UHFFFAOYSA-N -2 1 315.269 2.038 20 30 DEEDML CC[C@@](NC(=O)c1cc([O-])cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001595265502 980275522 /nfs/dbraw/zinc/27/55/22/980275522.db2.gz WYRRSDQNMVVCSI-SFHVURJKSA-N -2 1 324.336 2.384 20 30 DEEDML N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)c1 ZINC001190650789 1091948969 /nfs/dbraw/zinc/94/89/69/1091948969.db2.gz LQKGIQNZMQSAEW-UHFFFAOYSA-N -2 1 317.301 2.075 20 30 DEEDML CC(C)(C)c1nc(=NC(=O)c2cc([O-])cc(C#N)c2)s[n-]1 ZINC000589178191 357450026 /nfs/dbraw/zinc/45/00/26/357450026.db2.gz FWCLHIBZXGEVSN-UHFFFAOYSA-N -2 1 302.359 2.087 20 30 DEEDML C=CCC[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000570340917 406379723 /nfs/dbraw/zinc/37/97/23/406379723.db2.gz TVLPGSNCQCXUGG-LLVKDONJSA-N -2 1 309.343 2.131 20 30 DEEDML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000013464611 264010541 /nfs/dbraw/zinc/01/05/41/264010541.db2.gz MNDGCZRBGYTOOW-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C=CCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000776597347 642191290 /nfs/dbraw/zinc/19/12/90/642191290.db2.gz PBQCAYFOIXQPAJ-JTQLQIEISA-N -2 1 321.757 2.177 20 30 DEEDML CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C(=O)[O-])cc1C ZINC001589017285 985003296 /nfs/dbraw/zinc/00/32/96/985003296.db2.gz HCGKWQMNTTUWNB-UHFFFAOYSA-N -2 1 300.318 2.333 20 30 DEEDML C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001603187998 1069904494 /nfs/dbraw/zinc/90/44/94/1069904494.db2.gz RJJQRFZISHPTMX-BZNIZROVSA-N -2 1 324.336 2.456 20 30 DEEDML N#CC1(C(=O)[O-])CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC001610617411 1078051759 /nfs/dbraw/zinc/05/17/59/1078051759.db2.gz BUGQAMRBWMQHJF-UHFFFAOYSA-N -2 1 324.336 2.376 20 30 DEEDML N#CC1(C(=O)[O-])CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001610617952 1078052240 /nfs/dbraw/zinc/05/22/40/1078052240.db2.gz RRMNKMFMCHQWAQ-UHFFFAOYSA-N -2 1 312.728 2.375 20 30 DEEDML N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)cc1[O-] ZINC001601092891 1077336146 /nfs/dbraw/zinc/33/61/46/1077336146.db2.gz CGGDSJZOJGTIMD-HNNXBMFYSA-N -2 1 324.336 2.080 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)c1 ZINC001608197527 1077606766 /nfs/dbraw/zinc/60/67/66/1077606766.db2.gz DPCHAJZKGFESMD-OAHLLOKOSA-N -2 1 316.357 2.275 20 30 DEEDML N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000355871802 404373311 /nfs/dbraw/zinc/37/33/11/404373311.db2.gz VZTRRJUEKRXMKZ-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccccc1C(=O)[O-] ZINC000833406221 605039186 /nfs/dbraw/zinc/03/91/86/605039186.db2.gz LUNGFZXDERSSIJ-JTQLQIEISA-N -2 1 301.302 2.278 20 30 DEEDML C=CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC001588798650 984237706 /nfs/dbraw/zinc/23/77/06/984237706.db2.gz NADBEXOTFAXENB-MRVPVSSYSA-N -2 1 323.317 2.305 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC001608197914 1077607617 /nfs/dbraw/zinc/60/76/17/1077607617.db2.gz UXYYKZAUSYPKEF-GFCCVEGCSA-N -2 1 316.338 2.271 20 30 DEEDML N#Cc1ccc(C(=O)[N-]c2cccnc2SCCC(=O)[O-])o1 ZINC001608199509 1077607725 /nfs/dbraw/zinc/60/77/25/1077607725.db2.gz KVUMGYKSJFQQCC-UHFFFAOYSA-N -2 1 317.326 2.365 20 30 DEEDML COc1ccc(CS(=O)(=O)[N-]c2c([O-])cccc2C#N)cc1 ZINC001259899934 1144155842 /nfs/dbraw/zinc/15/58/42/1144155842.db2.gz BBJJSTUHUOAPGK-UHFFFAOYSA-N -2 1 318.354 2.214 20 30 DEEDML Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C#N ZINC001260227483 1144182059 /nfs/dbraw/zinc/18/20/59/1144182059.db2.gz MLQMULRXXDJBTQ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000013348916 401798834 /nfs/dbraw/zinc/79/88/34/401798834.db2.gz AJHRAFWFXUSENY-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000347897353 403939023 /nfs/dbraw/zinc/93/90/23/403939023.db2.gz DDPCFPNGOIAELL-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000355862770 404372286 /nfs/dbraw/zinc/37/22/86/404372286.db2.gz FSCMUPAMCWIZTA-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000759713616 640106956 /nfs/dbraw/zinc/10/69/56/640106956.db2.gz OGCDSBJXCIJCNJ-UHFFFAOYSA-N -2 1 311.297 2.180 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001611295985 970981407 /nfs/dbraw/zinc/98/14/07/970981407.db2.gz ZORQSRSUCVCAKK-ZDUSSCGKSA-N -2 1 302.330 2.123 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001594617132 956246499 /nfs/dbraw/zinc/24/64/99/956246499.db2.gz DNWMDSSDVNQPGX-CVEARBPZSA-N -2 1 322.320 2.307 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)c([O-])c1 ZINC001259737819 1144122293 /nfs/dbraw/zinc/12/22/93/1144122293.db2.gz IFYWTGCVPKYAKY-UHFFFAOYSA-N -2 1 302.355 2.248 20 30 DEEDML Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000316036477 145361367 /nfs/dbraw/zinc/36/13/67/145361367.db2.gz MKIXTVOBOZWMDD-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1C(=O)[O-] ZINC000319880133 145372738 /nfs/dbraw/zinc/37/27/38/145372738.db2.gz IEUYJDWZGRZICO-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML C=CCN(CC(=O)[O-])C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000909515128 637934986 /nfs/dbraw/zinc/93/49/86/637934986.db2.gz QHRRYHAVDMUUCI-UHFFFAOYSA-N -2 1 313.737 2.157 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC001601089735 1077335526 /nfs/dbraw/zinc/33/55/26/1077335526.db2.gz WJZNONDXRSTNPW-UHFFFAOYSA-N -2 1 324.336 2.033 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC001601121050 1077343588 /nfs/dbraw/zinc/34/35/88/1077343588.db2.gz AXUNUEXFKRDPST-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#Cc1cccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001259124572 1144067706 /nfs/dbraw/zinc/06/77/06/1144067706.db2.gz VGROQYCTRQXMSU-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML COc1ccc(CS(=O)(=O)Nc2ccc(O)cc2C#N)cc1 ZINC001259900708 1144155846 /nfs/dbraw/zinc/15/58/46/1144155846.db2.gz MLGLHLFYZHFUCZ-UHFFFAOYSA-N -2 1 318.354 2.214 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000739120718 600093770 /nfs/dbraw/zinc/09/37/70/600093770.db2.gz CPWLXLOOSIGBIS-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2F)cc1[O-] ZINC001571120613 961444532 /nfs/dbraw/zinc/44/45/32/961444532.db2.gz YSOVQBBICGZENJ-UHFFFAOYSA-N -2 1 314.272 2.031 20 30 DEEDML C[C@H]1CC[C@@](NC(=O)c2ccc(C#N)c([O-])c2)(C(=O)[O-])CC1 ZINC001599907496 984942190 /nfs/dbraw/zinc/94/21/90/984942190.db2.gz VOSSBOAOVNVSFU-HZRBXJLLSA-N -2 1 302.330 2.027 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774789 1144127091 /nfs/dbraw/zinc/12/70/91/1144127091.db2.gz OSYNJLHYQWQECL-UHFFFAOYSA-N -2 1 320.345 2.387 20 30 DEEDML Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000316145286 145362277 /nfs/dbraw/zinc/36/22/77/145362277.db2.gz GRHSGFSXJFSZCM-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000336850624 403922896 /nfs/dbraw/zinc/92/28/96/403922896.db2.gz YDUAXKDXCFKDHN-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001193679586 797609255 /nfs/dbraw/zinc/60/92/55/797609255.db2.gz JFHGADHYVWJHOF-UHFFFAOYSA-N -2 1 322.317 2.212 20 30 DEEDML CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC001589611563 987465508 /nfs/dbraw/zinc/46/55/08/987465508.db2.gz OZDCJRPJGBOHGH-ZDUSSCGKSA-N -2 1 316.357 2.227 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC001610626056 1078053566 /nfs/dbraw/zinc/05/35/66/1078053566.db2.gz JSNYFZBVLXPATK-UHFFFAOYSA-N -2 1 308.293 2.118 20 30 DEEDML Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc([O-])c(F)c1F ZINC001636506503 1078478841 /nfs/dbraw/zinc/47/88/41/1078478841.db2.gz COANBPPFURWIPP-UHFFFAOYSA-N -2 1 305.240 2.203 20 30 DEEDML N#Cc1ccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1[O-] ZINC001601094276 1077336929 /nfs/dbraw/zinc/33/69/29/1077336929.db2.gz QKIBTZXSMGEOIP-UHFFFAOYSA-N -2 1 322.320 2.161 20 30 DEEDML Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1C#N ZINC000319982418 145373747 /nfs/dbraw/zinc/37/37/47/145373747.db2.gz MCHMDHVVVOBBQJ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML O=C([O-])c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)o1 ZINC000833321768 601826506 /nfs/dbraw/zinc/82/65/06/601826506.db2.gz MGFCQKQNZPWIIS-GORDUTHDSA-N -2 1 302.238 2.278 20 30 DEEDML C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000864453089 686725737 /nfs/dbraw/zinc/72/57/37/686725737.db2.gz WZXUQUIATIXYNW-JTQLQIEISA-N -2 1 321.757 2.177 20 30 DEEDML N#Cc1cc(NC(=O)c2cc(=O)c3cccc(O)c3[n-]2)ccc1[O-] ZINC001152678862 797221121 /nfs/dbraw/zinc/22/11/21/797221121.db2.gz DXZVVNQVQOBUMS-UHFFFAOYSA-N -2 1 321.292 2.476 20 30 DEEDML C=CCCC[C@H](NC(=O)c1c(C)nc(C(C)C)[n-]c1=O)C(=O)[O-] ZINC001588793867 984222577 /nfs/dbraw/zinc/22/25/77/984222577.db2.gz DRHISZKRCZZTSU-NSHDSACASA-N -2 1 321.377 2.153 20 30 DEEDML C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC001607416825 1071438058 /nfs/dbraw/zinc/43/80/58/1071438058.db2.gz JPQMKACXFLHKNA-LBPRGKRZSA-N -2 1 324.336 2.379 20 30 DEEDML C#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001260228989 1144182549 /nfs/dbraw/zinc/18/25/49/1144182549.db2.gz JYRJXTKSNPVFOS-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730596 798383103 /nfs/dbraw/zinc/38/31/03/798383103.db2.gz QHJHYXKWLJUVMJ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML COc1ccc([O-])c(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)c1 ZINC001599598369 993778879 /nfs/dbraw/zinc/77/88/79/993778879.db2.gz KKSHAIBUMWBGQP-HWKANZROSA-N -2 1 301.298 2.334 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000013262507 401798079 /nfs/dbraw/zinc/79/80/79/401798079.db2.gz DQORXFPDBOHKFX-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000013362463 636154666 /nfs/dbraw/zinc/15/46/66/636154666.db2.gz ROIUIZPSQUGKET-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000319465351 636209616 /nfs/dbraw/zinc/20/96/16/636209616.db2.gz CIKUKHHIYNRATJ-UHFFFAOYSA-N -2 1 319.313 2.306 20 30 DEEDML O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc(F)c1[O-] ZINC000755617768 639569670 /nfs/dbraw/zinc/56/96/70/639569670.db2.gz QGKGJBNWPHRVCU-UHFFFAOYSA-N -2 1 315.329 2.412 20 30 DEEDML COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001193680634 797609166 /nfs/dbraw/zinc/60/91/66/797609166.db2.gz XJZPISDHMLOUKX-UHFFFAOYSA-N -2 1 322.317 2.212 20 30 DEEDML N#Cc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1[O-] ZINC001594617774 956255067 /nfs/dbraw/zinc/25/50/67/956255067.db2.gz LANHRQMZXZCLLU-OAHLLOKOSA-N -2 1 322.320 2.088 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1 ZINC001608197630 1077606831 /nfs/dbraw/zinc/60/68/31/1077606831.db2.gz KCYIQZBYBMDQJX-AWEZNQCLSA-N -2 1 302.330 2.027 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1[O-] ZINC001259068968 1144062526 /nfs/dbraw/zinc/06/25/26/1144062526.db2.gz DPWUKRYPUUYNPI-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260228108 1144182591 /nfs/dbraw/zinc/18/25/91/1144182591.db2.gz ALOUQQFFUWPHAV-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000013341100 401798728 /nfs/dbraw/zinc/79/87/28/401798728.db2.gz OKYCLMWQXJNGMK-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778117 798394676 /nfs/dbraw/zinc/39/46/76/798394676.db2.gz AFIMEQAALAAWMY-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML CC(C)(C)CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(=O)[O-] ZINC001588648440 959749086 /nfs/dbraw/zinc/74/90/86/959749086.db2.gz NJFWPAQRSULRBL-LBPRGKRZSA-N -2 1 304.346 2.273 20 30 DEEDML Cc1nc(SCc2ccc(C#N)o2)[n-]c(=O)c1CCC(=O)[O-] ZINC001574192715 1069177471 /nfs/dbraw/zinc/17/74/71/1069177471.db2.gz OWSIHXCDLUDPPB-UHFFFAOYSA-N -2 1 319.342 2.265 20 30 DEEDML Cc1c(/C=C\C(=O)c2cc(C)ccc2[O-])c(C(=O)[O-])nn1C ZINC001600464809 1077206209 /nfs/dbraw/zinc/20/62/09/1077206209.db2.gz VFTKOQSPZIOFCQ-ALCCZGGFSA-N -2 1 300.314 2.337 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001601089636 1077335547 /nfs/dbraw/zinc/33/55/47/1077335547.db2.gz UFTOEEHKXPRUFG-AWEZNQCLSA-N -2 1 308.293 2.092 20 30 DEEDML N#Cc1cc([O-])cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC001608197915 1077607656 /nfs/dbraw/zinc/60/76/56/1077607656.db2.gz UXYYKZAUSYPKEF-LBPRGKRZSA-N -2 1 316.338 2.271 20 30 DEEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1[O-] ZINC001256066991 1143826811 /nfs/dbraw/zinc/82/68/11/1143826811.db2.gz AHUJJMPHRWGLHI-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c([O-])c1 ZINC001259760845 1144125683 /nfs/dbraw/zinc/12/56/83/1144125683.db2.gz BXRXVNWOPXMOSI-UHFFFAOYSA-N -2 1 320.345 2.387 20 30 DEEDML O=C([O-])c1ccc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)cc1 ZINC000765543986 640792002 /nfs/dbraw/zinc/79/20/02/640792002.db2.gz QLXZRSZJELJDQW-UHFFFAOYSA-N -2 1 324.296 2.405 20 30 DEEDML C=CCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000909716671 645181009 /nfs/dbraw/zinc/18/10/09/645181009.db2.gz AJGRPPQCAZIRAL-JTQLQIEISA-N -2 1 313.737 2.203 20 30 DEEDML C=C(C)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000910286673 645389163 /nfs/dbraw/zinc/38/91/63/645389163.db2.gz KGYLLDYCWWLPAE-JTQLQIEISA-N -2 1 313.737 2.203 20 30 DEEDML C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588735597 984019852 /nfs/dbraw/zinc/01/98/52/984019852.db2.gz FVOWYWUQHXHFEC-VIFPVBQESA-N -2 1 319.329 2.296 20 30 DEEDML C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC001567072388 1075426999 /nfs/dbraw/zinc/42/69/99/1075426999.db2.gz CYDZQPJJLQVTEX-UHFFFAOYSA-N -2 1 323.308 2.346 20 30 DEEDML C#Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260190512 1144180796 /nfs/dbraw/zinc/18/07/96/1144180796.db2.gz PKCTWHZNFZSQAW-UHFFFAOYSA-N -2 1 301.323 2.167 20 30 DEEDML CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C(=O)[O-])cc1 ZINC000760218760 640167598 /nfs/dbraw/zinc/16/75/98/640167598.db2.gz RBJZIJXEQNCBGA-UHFFFAOYSA-N -2 1 300.318 2.415 20 30 DEEDML N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000794594918 644441280 /nfs/dbraw/zinc/44/12/80/644441280.db2.gz CTXJIRRSLVEAIZ-UHFFFAOYSA-N -2 1 316.338 2.252 20 30 DEEDML N#Cc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1[O-] ZINC001605597441 973899259 /nfs/dbraw/zinc/89/92/59/973899259.db2.gz QUOHHONKDWZZFP-BPNCWPANSA-N -2 1 314.341 2.122 20 30 DEEDML C=C(C)C[C@H](NC(=O)c1ncc2ccccc2c1[O-])C(=O)[O-] ZINC001588548336 983624044 /nfs/dbraw/zinc/62/40/44/983624044.db2.gz TVHAKRZLIKJSGS-LBPRGKRZSA-N -2 1 300.314 2.090 20 30 DEEDML C=CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001588681161 983838684 /nfs/dbraw/zinc/83/86/84/983838684.db2.gz PSTIUEJYZFIIGP-UHFFFAOYSA-N -2 1 307.755 2.122 20 30 DEEDML C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239604 1069917173 /nfs/dbraw/zinc/91/71/73/1069917173.db2.gz QUZVJTSJUCLBFB-TVYUQYBPSA-N -2 1 316.357 2.129 20 30 DEEDML N#Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1[O-] ZINC001610626381 1078053548 /nfs/dbraw/zinc/05/35/48/1078053548.db2.gz JBVKPVSGMISKAD-INIZCTEOSA-N -2 1 322.320 2.088 20 30 DEEDML N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)c1 ZINC001190650251 1091948744 /nfs/dbraw/zinc/94/87/44/1091948744.db2.gz BLWBXWZZJHSWIT-UHFFFAOYSA-N -2 1 317.301 2.075 20 30 DEEDML COc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(C#N)c1 ZINC001259300627 1144086402 /nfs/dbraw/zinc/08/64/02/1144086402.db2.gz SKHCGEVZHCOGDG-UHFFFAOYSA-N -2 1 304.327 2.073 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)CCc1ccccc1 ZINC001259737804 1144122339 /nfs/dbraw/zinc/12/23/39/1144122339.db2.gz GVXLJELUVDICBN-UHFFFAOYSA-N -2 1 302.355 2.248 20 30 DEEDML Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC000507569599 269317701 /nfs/dbraw/zinc/31/77/01/269317701.db2.gz XBCPCTMCZKFNCK-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML O=C([O-])c1ccccc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823391678 606369777 /nfs/dbraw/zinc/36/97/77/606369777.db2.gz BNFWBEBOCYYSOH-UHFFFAOYSA-N -2 1 314.330 2.072 20 30 DEEDML C=CCC[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000837287442 650181771 /nfs/dbraw/zinc/18/17/71/650181771.db2.gz DZRFFMMPPPXFBZ-MRVPVSSYSA-N -2 1 309.796 2.099 20 30 DEEDML Cc1cc(=O)[n-]c(NN=C2CC[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000788928958 643660835 /nfs/dbraw/zinc/66/08/35/643660835.db2.gz POCPRIFMBZTGOJ-GFCCVEGCSA-N -2 1 312.329 2.269 20 30 DEEDML O=C([O-])c1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1O ZINC000809158933 646194572 /nfs/dbraw/zinc/19/45/72/646194572.db2.gz YOKVUJRLYTVMGD-DAFODLJHSA-N -2 1 300.266 2.398 20 30 DEEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134976 796196820 /nfs/dbraw/zinc/19/68/20/796196820.db2.gz GZQUYFDAJLDCFH-UHFFFAOYSA-N -2 1 324.308 2.484 20 30 DEEDML C=CCCC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])C(=O)[O-] ZINC001588792873 984213814 /nfs/dbraw/zinc/21/38/14/984213814.db2.gz OPIIUWAGLGOPEL-CYBMUJFWSA-N -2 1 305.330 2.052 20 30 DEEDML N#Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1[O-] ZINC001610626152 1078053769 /nfs/dbraw/zinc/05/37/69/1078053769.db2.gz DFSMMWNIGYWTMQ-UHFFFAOYSA-N -2 1 324.336 2.381 20 30 DEEDML C=CCCC(C)(C)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000620858629 364180787 /nfs/dbraw/zinc/18/07/87/364180787.db2.gz LTEJOCUZLIMTHA-UHFFFAOYSA-N -2 1 316.361 2.219 20 30 DEEDML N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000013264986 401798329 /nfs/dbraw/zinc/79/83/29/401798329.db2.gz SFNSUWUKYHGGAJ-UHFFFAOYSA-N -2 1 302.311 2.057 20 30 DEEDML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000047202292 401979611 /nfs/dbraw/zinc/97/96/11/401979611.db2.gz ZJNWBWCDCAARJK-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#Cc1csc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1 ZINC000833078167 601565775 /nfs/dbraw/zinc/56/57/75/601565775.db2.gz FPCBUQINNYHPMR-UHFFFAOYSA-N -2 1 322.371 2.131 20 30 DEEDML CCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000862358730 686281744 /nfs/dbraw/zinc/28/17/44/686281744.db2.gz SUAMYWQMNHQHIY-UHFFFAOYSA-N -2 1 318.377 2.445 20 30 DEEDML C=CCCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)C(=O)[O-] ZINC001588798651 984237748 /nfs/dbraw/zinc/23/77/48/984237748.db2.gz NADBEXOTFAXENB-QMMMGPOBSA-N -2 1 323.317 2.305 20 30 DEEDML Cc1[nH]c(CN=Nc2cccc(F)c2C(=O)[O-])cc1C(=O)[O-] ZINC001607494553 1071460096 /nfs/dbraw/zinc/46/00/96/1071460096.db2.gz OEZBTGHBIOTUCZ-UHFFFAOYSA-N -2 1 305.265 2.305 20 30 DEEDML Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)cc1C#N ZINC001201320258 798739608 /nfs/dbraw/zinc/73/96/08/798739608.db2.gz UKIWHQVYBNNRLV-UHFFFAOYSA-N -2 1 313.338 2.245 20 30 DEEDML C#Cc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001588524163 983574149 /nfs/dbraw/zinc/57/41/49/983574149.db2.gz AZFCULDBNMQQJJ-UHFFFAOYSA-N -2 1 315.350 2.096 20 30 DEEDML N#Cc1ccc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc1[O-] ZINC001601094518 1077337085 /nfs/dbraw/zinc/33/70/85/1077337085.db2.gz YXRJXKXCIZODFS-UHFFFAOYSA-N -2 1 322.320 2.161 20 30 DEEDML N#Cc1c[nH]c2ccnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c12 ZINC001242160157 1139880562 /nfs/dbraw/zinc/88/05/62/1139880562.db2.gz DJVMTDVYXTVFNJ-UHFFFAOYSA-N -2 1 307.265 2.498 20 30 DEEDML N#Cc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001258266720 1143986754 /nfs/dbraw/zinc/98/67/54/1143986754.db2.gz VQAKOCODBQBFRO-UHFFFAOYSA-N -2 1 310.281 2.343 20 30 DEEDML COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(C#N)c1 ZINC001260649450 1144194408 /nfs/dbraw/zinc/19/44/08/1144194408.db2.gz BIZRERMZYVOTKY-UHFFFAOYSA-N -2 1 322.317 2.212 20 30 DEEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1C#N ZINC000336861840 403935046 /nfs/dbraw/zinc/93/50/46/403935046.db2.gz FTZYBHRHXIUUSQ-UHFFFAOYSA-N -2 1 316.338 2.366 20 30 DEEDML N#Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1F ZINC000316742646 404030213 /nfs/dbraw/zinc/03/02/13/404030213.db2.gz XVAGNFAKSDROFK-UHFFFAOYSA-N -2 1 320.301 2.196 20 30 DEEDML N#CCCN(CC1CC1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000833965289 605647229 /nfs/dbraw/zinc/64/72/29/605647229.db2.gz HRYAJYVPJTYWJM-UHFFFAOYSA-N -2 1 303.318 2.248 20 30 DEEDML