smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCO[C@H]1CCN(C(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC001118745411 815040480 /nfs/dbraw/zinc/04/04/80/815040480.db2.gz LKSCAPOTGDSOGD-ZDUSSCGKSA-N -1 3 289.331 2.012 20 30 CEEDHM Cc1cc([O-])c(Cl)cc1O[C@@H]1CCN(CC#N)C1 ZINC001233591325 807426829 /nfs/dbraw/zinc/42/68/29/807426829.db2.gz FKVKBYUKPJSRSJ-SNVBAGLBSA-N -1 3 266.728 2.331 20 30 CEEDHM COC[C@H](C)OC[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144020 807545495 /nfs/dbraw/zinc/54/54/95/807545495.db2.gz ILDBAGHALMFQFO-WDEREUQCSA-N -1 3 265.309 2.083 20 30 CEEDHM CCc1nn(C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001119555126 815130247 /nfs/dbraw/zinc/13/02/47/815130247.db2.gz HAASUIAGUUMZSV-UHFFFAOYSA-N -1 3 277.299 2.153 20 30 CEEDHM CC#CC[C@H](NCc1ccccc1Br)C(=O)[O-] ZINC001119550432 815130266 /nfs/dbraw/zinc/13/02/66/815130266.db2.gz GUFQRYZJZSIUMI-LBPRGKRZSA-N -1 3 296.164 2.405 20 30 CEEDHM Cc1cc(-c2noc(-c3cc(=O)[n-]cn3)n2)ccc1C#N ZINC001212360957 808657193 /nfs/dbraw/zinc/65/71/93/808657193.db2.gz QQSDCRUEXBHMMC-UHFFFAOYSA-N -1 3 279.259 2.079 20 30 CEEDHM C#C[C@@H](CC)NC(=O)c1cc([O-])cc(Br)c1 ZINC000700709336 809338655 /nfs/dbraw/zinc/33/86/55/809338655.db2.gz LNURPZRRNFSZPR-JTQLQIEISA-N -1 3 282.137 2.296 20 30 CEEDHM CCCCCCCCNC(=O)c1cnncc1[O-] ZINC001137583225 815648233 /nfs/dbraw/zinc/64/82/33/815648233.db2.gz APBLLYPPNURNGE-UHFFFAOYSA-N -1 3 251.330 2.273 20 30 CEEDHM CC(C)c1ccc(C#N)c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156277974 811466785 /nfs/dbraw/zinc/46/67/85/811466785.db2.gz KZASCWPWTRBVSQ-GFCCVEGCSA-N -1 3 285.351 2.001 20 30 CEEDHM CC(C)c1ccc(C#N)c(NCCCc2c[n-][nH]c2=O)n1 ZINC001156277975 811467014 /nfs/dbraw/zinc/46/70/14/811467014.db2.gz KZASCWPWTRBVSQ-LBPRGKRZSA-N -1 3 285.351 2.001 20 30 CEEDHM Cc1ccc(NC=CC(=O)C(F)(F)F)cc1-c1nnn[n-]1 ZINC001169481203 811527635 /nfs/dbraw/zinc/52/76/35/811527635.db2.gz XCQIBUBGYYFKRQ-SNAWJCMRSA-N -1 3 297.240 2.232 20 30 CEEDHM Cc1ccc(NC=CC(=O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC001169481203 811527641 /nfs/dbraw/zinc/52/76/41/811527641.db2.gz XCQIBUBGYYFKRQ-SNAWJCMRSA-N -1 3 297.240 2.232 20 30 CEEDHM COc1nc(C)c(NCc2ncccc2[O-])c(C)c1C#N ZINC001169732833 811651444 /nfs/dbraw/zinc/65/14/44/811651444.db2.gz NFZFQVBKNVYQRO-UHFFFAOYSA-N -1 3 284.319 2.291 20 30 CEEDHM C=CCS(=O)(=O)[N-]c1cnnc2ccc(Cl)cc12 ZINC001259923503 811853462 /nfs/dbraw/zinc/85/34/62/811853462.db2.gz NCOBNJRZLSZWLH-UHFFFAOYSA-N -1 3 283.740 2.211 20 30 CEEDHM C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCCP(=O)([O-])[O-] ZINC001171190181 814084432 /nfs/dbraw/zinc/08/44/32/814084432.db2.gz PRPZSZUNFQHUIG-GFCCVEGCSA-N -1 3 296.307 2.037 20 30 CEEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc(-c2ccccc2)n1 ZINC001171364109 814663907 /nfs/dbraw/zinc/66/39/07/814663907.db2.gz XISAQENMMUJSLN-HZMBPMFUSA-N -1 3 298.346 2.100 20 30 CEEDHM Cc1c2[nH]ccc2ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369295 814674622 /nfs/dbraw/zinc/67/46/22/814674622.db2.gz SABLSEOFKKLMOX-UFBFGSQYSA-N -1 3 259.309 2.124 20 30 CEEDHM N#Cc1ncc(F)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175426879 816198079 /nfs/dbraw/zinc/19/80/79/816198079.db2.gz GEFIQBHEPKDCAY-UHFFFAOYSA-N -1 3 281.254 2.016 20 30 CEEDHM Cc1ncc(C#N)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428256 816198968 /nfs/dbraw/zinc/19/89/68/816198968.db2.gz KPNCSOBTBYZAQY-UHFFFAOYSA-N -1 3 277.291 2.185 20 30 CEEDHM O=C1C=C2CN(Cc3cc(F)c(F)cc3[O-])CC[C@@H]2S1 ZINC001142512710 816679438 /nfs/dbraw/zinc/67/94/38/816679438.db2.gz JANXDGYIHCFYCB-ZDUSSCGKSA-N -1 3 297.326 2.445 20 30 CEEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2CC2)c(C)c1[O-] ZINC001142679912 816707448 /nfs/dbraw/zinc/70/74/48/816707448.db2.gz SQUZRQUYAYQBGU-UHFFFAOYSA-N -1 3 288.303 2.098 20 30 CEEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122664781 365631355 /nfs/dbraw/zinc/63/13/55/365631355.db2.gz ZMHCORCCZSWGTB-UHFFFAOYSA-N -1 3 290.728 2.103 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)s1 ZINC000601450706 346839278 /nfs/dbraw/zinc/83/92/78/346839278.db2.gz GUNHBWLULCTWLA-WDEREUQCSA-N -1 3 282.390 2.087 20 30 CEEDHM CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000601801785 346901697 /nfs/dbraw/zinc/90/16/97/346901697.db2.gz QLMPYGXOUBEVOL-YPMHNXCESA-N -1 3 276.311 2.224 20 30 CEEDHM COc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1[O-] ZINC000601818318 346908047 /nfs/dbraw/zinc/90/80/47/346908047.db2.gz LHEKHIGEXUQNSO-RYUDHWBXSA-N -1 3 274.320 2.165 20 30 CEEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCCC#N)n1 ZINC000602171408 346987071 /nfs/dbraw/zinc/98/70/71/346987071.db2.gz NXGKQBHJHRIZEV-UHFFFAOYSA-N -1 3 290.367 2.316 20 30 CEEDHM N#Cc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000132722835 344364928 /nfs/dbraw/zinc/36/49/28/344364928.db2.gz POOVGIGHFZUULU-UHFFFAOYSA-N -1 3 270.263 2.333 20 30 CEEDHM C=CCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000220844991 344538487 /nfs/dbraw/zinc/53/84/87/344538487.db2.gz YIKIYOJXJCZYMH-UHFFFAOYSA-N -1 3 261.293 2.209 20 30 CEEDHM CC(C)SCC/N=C/c1ccc(O)c([O-])c1O ZINC000286454680 344679965 /nfs/dbraw/zinc/67/99/65/344679965.db2.gz JSPZXRSLDSGIIV-NTUHNPAUSA-N -1 3 255.339 2.364 20 30 CEEDHM C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000302490297 344703868 /nfs/dbraw/zinc/70/38/68/344703868.db2.gz IXBWFDUFGGBROW-RISCZKNCSA-N -1 3 258.321 2.101 20 30 CEEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000054157757 362515172 /nfs/dbraw/zinc/51/51/72/362515172.db2.gz NDUCCIPZLRPSRN-ZETCQYMHSA-N -1 3 293.175 2.431 20 30 CEEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000054157731 362515269 /nfs/dbraw/zinc/51/52/69/362515269.db2.gz ZIPZLMUVHFEWKA-QMMMGPOBSA-N -1 3 292.282 2.143 20 30 CEEDHM N#C[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CCSC1 ZINC000589309099 345076095 /nfs/dbraw/zinc/07/60/95/345076095.db2.gz KCIBIIMONNSWAH-LBPRGKRZSA-N -1 3 282.752 2.175 20 30 CEEDHM CCC1([N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593555610 345506488 /nfs/dbraw/zinc/50/64/88/345506488.db2.gz FGBRNRIQQJOVEX-UHFFFAOYSA-N -1 3 270.379 2.231 20 30 CEEDHM CC1(CC[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593584831 345509356 /nfs/dbraw/zinc/50/93/56/345509356.db2.gz DBARIVZNDORDPL-UHFFFAOYSA-N -1 3 270.379 2.088 20 30 CEEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1F ZINC000594719364 345678442 /nfs/dbraw/zinc/67/84/42/345678442.db2.gz BTGKFBQAUINZNT-ZDUSSCGKSA-N -1 3 298.383 2.226 20 30 CEEDHM CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000594818039 345689194 /nfs/dbraw/zinc/68/91/94/345689194.db2.gz RVCINBKEHCKOGZ-SECBINFHSA-N -1 3 272.395 2.334 20 30 CEEDHM CC(C)(CCC#N)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596240850 345977760 /nfs/dbraw/zinc/97/77/60/345977760.db2.gz AIIGFFRXWXCXPW-UHFFFAOYSA-N -1 3 264.285 2.437 20 30 CEEDHM COCC[C@H](C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596269452 345986509 /nfs/dbraw/zinc/98/65/09/345986509.db2.gz CDJDTTZKSYAWDB-ZETCQYMHSA-N -1 3 259.762 2.175 20 30 CEEDHM CC1(C)OCC[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596545197 346051482 /nfs/dbraw/zinc/05/14/82/346051482.db2.gz RAJCFVSHIWQRAX-SSDOTTSWSA-N -1 3 271.773 2.317 20 30 CEEDHM CC1(C)OCC[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596545198 346051728 /nfs/dbraw/zinc/05/17/28/346051728.db2.gz RAJCFVSHIWQRAX-ZETCQYMHSA-N -1 3 271.773 2.317 20 30 CEEDHM N#Cc1[n-]c(=NCC2CCC(O)CC2)sc1Cl ZINC000596513538 346043596 /nfs/dbraw/zinc/04/35/96/346043596.db2.gz ANZQFNKAMCXQKU-UHFFFAOYSA-N -1 3 271.773 2.053 20 30 CEEDHM CSc1ccc([O-])c(C(=O)N[C@H](C#N)C(C)C)c1 ZINC000597187348 346143997 /nfs/dbraw/zinc/14/39/97/346143997.db2.gz DPXYHURTGTZJDF-LLVKDONJSA-N -1 3 264.350 2.392 20 30 CEEDHM CC(C)(CCC#N)CNC(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597657536 346211742 /nfs/dbraw/zinc/21/17/42/346211742.db2.gz AFLFUTDTNGFQSJ-UHFFFAOYSA-N -1 3 286.335 2.328 20 30 CEEDHM CSCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000060792612 362668187 /nfs/dbraw/zinc/66/81/87/362668187.db2.gz YVCRBGKXEULXRB-UHFFFAOYSA-N -1 3 263.326 2.208 20 30 CEEDHM CSCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000060792612 362668194 /nfs/dbraw/zinc/66/81/94/362668194.db2.gz YVCRBGKXEULXRB-UHFFFAOYSA-N -1 3 263.326 2.208 20 30 CEEDHM CSCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000060792612 362668201 /nfs/dbraw/zinc/66/82/01/362668201.db2.gz YVCRBGKXEULXRB-UHFFFAOYSA-N -1 3 263.326 2.208 20 30 CEEDHM CCc1cccc(C(=O)N([C@@H](C)C#N)C2CC2)c1[O-] ZINC000598132957 346296839 /nfs/dbraw/zinc/29/68/39/346296839.db2.gz LVKOOMNYBPWNMN-JTQLQIEISA-N -1 3 258.321 2.471 20 30 CEEDHM C[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000598680286 346399329 /nfs/dbraw/zinc/39/93/29/346399329.db2.gz UUOVJICDJMMFIJ-RISCZKNCSA-N -1 3 258.321 2.101 20 30 CEEDHM CC1(C#N)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598698099 346402782 /nfs/dbraw/zinc/40/27/82/346402782.db2.gz LRODUXAIXZTVOE-UHFFFAOYSA-N -1 3 284.237 2.397 20 30 CEEDHM CCn1c(SCc2ccc(C)c(C#N)c2)n[n-]c1=O ZINC000600514986 346646473 /nfs/dbraw/zinc/64/64/73/346646473.db2.gz PLEMYCAABWVTLT-UHFFFAOYSA-N -1 3 274.349 2.476 20 30 CEEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000600667603 346670035 /nfs/dbraw/zinc/67/00/35/346670035.db2.gz FBNWERZOTKXMQI-VIFPVBQESA-N -1 3 288.319 2.244 20 30 CEEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000617778389 348788750 /nfs/dbraw/zinc/78/87/50/348788750.db2.gz FOMFTRYFBUJUBA-LLVKDONJSA-N -1 3 287.363 2.488 20 30 CEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[n-]cn1 ZINC000628038000 350953941 /nfs/dbraw/zinc/95/39/41/350953941.db2.gz RQCHBGHGMQQCCJ-QWRGUYRKSA-N -1 3 261.325 2.047 20 30 CEEDHM C=CC[C@@H]1CCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000628491801 351116808 /nfs/dbraw/zinc/11/68/08/351116808.db2.gz ICYWHEIJTIEFHT-SNVBAGLBSA-N -1 3 271.320 2.307 20 30 CEEDHM CC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000071776811 363113467 /nfs/dbraw/zinc/11/34/67/363113467.db2.gz MCPARUDPEAKFQD-QMMMGPOBSA-N -1 3 272.757 2.288 20 30 CEEDHM N#Cc1nn(Cc2cc(=O)[n-]c(C3CC3)n2)c2ccccc12 ZINC000577939766 366418217 /nfs/dbraw/zinc/41/82/17/366418217.db2.gz UQNPDMNZZHUSLH-UHFFFAOYSA-N -1 3 291.314 2.329 20 30 CEEDHM C#CCCCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000179701720 189214787 /nfs/dbraw/zinc/21/47/87/189214787.db2.gz ZBJAQHWCKVHELS-UHFFFAOYSA-N -1 3 294.376 2.190 20 30 CEEDHM CCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000088474754 363898111 /nfs/dbraw/zinc/89/81/11/363898111.db2.gz LZGZMJKISYBPME-GFCCVEGCSA-N -1 3 268.338 2.129 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@@H](C)C[C@@H]1C ZINC000336065197 365358991 /nfs/dbraw/zinc/35/89/91/365358991.db2.gz XPPAGSUQNGYRFG-UWVGGRQHSA-N -1 3 287.363 2.218 20 30 CEEDHM C[C@]1(CNC(=O)c2csc(=O)[n-]2)CCCC[C@H]1O ZINC000329908440 291376763 /nfs/dbraw/zinc/37/67/63/291376763.db2.gz LSHNHKYGJHBFBE-BXKDBHETSA-N -1 3 270.354 2.095 20 30 CEEDHM COCc1ncsc1C([O-])=C(C#N)c1ccccn1 ZINC000342438877 367409521 /nfs/dbraw/zinc/40/95/21/367409521.db2.gz LASZJUKURWDOES-VIFPVBQESA-N -1 3 273.317 2.175 20 30 CEEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1conc1C ZINC000632545250 367833245 /nfs/dbraw/zinc/83/32/45/367833245.db2.gz ZKISEFFYQUGZQV-RYUDHWBXSA-N -1 3 284.381 2.396 20 30 CEEDHM Cn1ccnc1-c1noc([N-]Cc2cc(C#N)cs2)n1 ZINC000181528046 368467925 /nfs/dbraw/zinc/46/79/25/368467925.db2.gz QFZQWXCETQEYPV-UHFFFAOYSA-N -1 3 286.320 2.015 20 30 CEEDHM CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1[O-] ZINC000634199389 368582234 /nfs/dbraw/zinc/58/22/34/368582234.db2.gz VDZVYCAZVGABHG-TZMCWYRMSA-N -1 3 286.331 2.359 20 30 CEEDHM Cc1cccc2c1[n-]cc(C(=O)NC[C@H](C)C#N)c2=O ZINC000185640558 368835726 /nfs/dbraw/zinc/83/57/26/368835726.db2.gz DWGUNGJNLXBBMI-SECBINFHSA-N -1 3 269.304 2.138 20 30 CEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000186433070 368973873 /nfs/dbraw/zinc/97/38/73/368973873.db2.gz RVLXCRSQTNCIKC-JTQLQIEISA-N -1 3 270.329 2.105 20 30 CEEDHM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1ccccn1 ZINC000187475192 369166552 /nfs/dbraw/zinc/16/65/52/369166552.db2.gz KKCJGMSWPAHUCH-LBPRGKRZSA-N -1 3 279.299 2.137 20 30 CEEDHM C#CCC1(C(=O)[N-]C2=NCCS2)CCCCC1 ZINC000276474918 193346884 /nfs/dbraw/zinc/34/68/84/193346884.db2.gz QZGVCMUUTUEGHE-UHFFFAOYSA-N -1 3 250.367 2.179 20 30 CEEDHM C=C(C)CS(=O)(=O)[N-][C@H](c1nc(C2CC2)no1)C(C)C ZINC000276565409 193382516 /nfs/dbraw/zinc/38/25/16/193382516.db2.gz MIDFSUWERKGEBZ-NSHDSACASA-N -1 3 299.396 2.140 20 30 CEEDHM CCCCCCCS(=O)(=O)[N-]c1c[nH]nc1C ZINC000194800124 370075603 /nfs/dbraw/zinc/07/56/03/370075603.db2.gz LWPDQRAOZLZBCW-UHFFFAOYSA-N -1 3 259.375 2.430 20 30 CEEDHM C=CCSCCNC(=O)c1ccc([O-])c(C)c1 ZINC000227023455 370354186 /nfs/dbraw/zinc/35/41/86/370354186.db2.gz UVPSEFWYWZNVFC-UHFFFAOYSA-N -1 3 251.351 2.350 20 30 CEEDHM N#Cc1ccc(SCC(=O)Nc2ccccc2[O-])nc1 ZINC000358934524 371272778 /nfs/dbraw/zinc/27/27/78/371272778.db2.gz NQLHRURCEWYJRA-UHFFFAOYSA-N -1 3 285.328 2.390 20 30 CEEDHM C=C(C)[C@@H](CC(=O)Nc1cccc2n[n-]nc21)OCC ZINC000640379674 371940874 /nfs/dbraw/zinc/94/08/74/371940874.db2.gz IYPNOBUQFYFGSY-GFCCVEGCSA-N -1 3 274.324 2.268 20 30 CEEDHM CSCCON=C([O-])Nc1cc(C#N)ccc1C ZINC000280641291 375269995 /nfs/dbraw/zinc/26/99/95/375269995.db2.gz VIHKYRTZLISITL-UHFFFAOYSA-N -1 3 265.338 2.283 20 30 CEEDHM CSCCO[N-]C(=O)Nc1cc(C#N)ccc1C ZINC000280641291 375270001 /nfs/dbraw/zinc/27/00/01/375270001.db2.gz VIHKYRTZLISITL-UHFFFAOYSA-N -1 3 265.338 2.283 20 30 CEEDHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000416546080 376090006 /nfs/dbraw/zinc/09/00/06/376090006.db2.gz JLZWZDVQVLFGIK-ZIAGYGMSSA-N -1 3 296.367 2.410 20 30 CEEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@@H]1CSc2ccccc21 ZINC000328956491 376927857 /nfs/dbraw/zinc/92/78/57/376927857.db2.gz NRHVIXMFFGPOKO-DTWKUNHWSA-N -1 3 291.332 2.433 20 30 CEEDHM CCCC(C)(C)NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331179141 377315111 /nfs/dbraw/zinc/31/51/11/377315111.db2.gz QYBFTYFVNDBQMT-UHFFFAOYSA-N -1 3 293.293 2.406 20 30 CEEDHM CCCC(C)(C)NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331179141 377315120 /nfs/dbraw/zinc/31/51/20/377315120.db2.gz QYBFTYFVNDBQMT-UHFFFAOYSA-N -1 3 293.293 2.406 20 30 CEEDHM CCCC(C)(C)NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331179141 377315125 /nfs/dbraw/zinc/31/51/25/377315125.db2.gz QYBFTYFVNDBQMT-UHFFFAOYSA-N -1 3 293.293 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20 30 CEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@@](C)(C#N)C2)n1 ZINC000826262598 609601458 /nfs/dbraw/zinc/60/14/58/609601458.db2.gz SWBBJLKGDRBGDZ-HNNXBMFYSA-N -1 3 297.366 2.009 20 30 CEEDHM C#Cc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000901965458 634385254 /nfs/dbraw/zinc/38/52/54/634385254.db2.gz KCQQDDXWVCOTII-CHWSQXEVSA-N -1 3 297.276 2.363 20 30 CEEDHM C=CCCN1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC000949684450 613480326 /nfs/dbraw/zinc/48/03/26/613480326.db2.gz KOGQIRDLFTVJME-UHFFFAOYSA-N -1 3 274.364 2.115 20 30 CEEDHM C#CCOc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC000156030182 624908080 /nfs/dbraw/zinc/90/80/80/624908080.db2.gz ZOLAOICRCKUYTM-CQSZACIVSA-N -1 3 290.319 2.278 20 30 CEEDHM C#CCOc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000156030182 624908081 /nfs/dbraw/zinc/90/80/81/624908081.db2.gz ZOLAOICRCKUYTM-CQSZACIVSA-N -1 3 290.319 2.278 20 30 CEEDHM O=C(c1cnc2n1CCC2)N([O-])Cc1ccc(F)cc1 ZINC000904177599 626211377 /nfs/dbraw/zinc/21/13/77/626211377.db2.gz 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/nfs/dbraw/zinc/36/85/99/631368599.db2.gz RTGVXKFKZOQWGW-UHFFFAOYSA-N -1 3 277.324 2.107 20 30 CEEDHM CC#CCCCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888119076 631368608 /nfs/dbraw/zinc/36/86/08/631368608.db2.gz RTGVXKFKZOQWGW-UHFFFAOYSA-N -1 3 277.324 2.107 20 30 CEEDHM CC(C)(CCC#N)CNC=C1c2ccccc2C(=O)[N-]C1=O ZINC000806551521 631752019 /nfs/dbraw/zinc/75/20/19/631752019.db2.gz LRBSFFUFMYCLHM-UVTDQMKNSA-N -1 3 297.358 2.217 20 30 CEEDHM CC(C)(CCC#N)CNC=C1c2ccccc2C(=O)[N-]C1=O ZINC000806551517 631752121 /nfs/dbraw/zinc/75/21/21/631752121.db2.gz LRBSFFUFMYCLHM-GXDHUFHOSA-N -1 3 297.358 2.217 20 30 CEEDHM C[C@@]1(C#N)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000897584165 631796965 /nfs/dbraw/zinc/79/69/65/631796965.db2.gz BZZSSWUOLNMMTQ-CYBMUJFWSA-N -1 3 266.728 2.160 20 30 CEEDHM CCC(C)(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183932 632353953 /nfs/dbraw/zinc/35/39/53/632353953.db2.gz BLEPNSVGHMYAGH-UHFFFAOYSA-N -1 3 275.304 2.426 20 30 CEEDHM C=CCCO[N-]C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898938844 632656566 /nfs/dbraw/zinc/65/65/66/632656566.db2.gz ANQVRLKSMIPKIM-LBPRGKRZSA-N -1 3 253.342 2.350 20 30 CEEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCOC23CCCC3)c1[O-] ZINC000899231748 632746382 /nfs/dbraw/zinc/74/63/82/632746382.db2.gz GMKAPGBJOBXDLE-UHPUNMKFSA-N -1 3 290.363 2.109 20 30 CEEDHM CC[C@@H](O)CNN=Cc1ccc2ccccc2c1[O-] ZINC000814935709 632935219 /nfs/dbraw/zinc/93/52/19/632935219.db2.gz QKMGLVLIDWJUQA-CYBMUJFWSA-N -1 3 258.321 2.240 20 30 CEEDHM O=C(c1cn[nH]c(=O)c1)N([O-])Cc1cccc2ccccc21 ZINC000900091635 633410319 /nfs/dbraw/zinc/41/03/19/633410319.db2.gz FGNDEIJPCCRBGK-UHFFFAOYSA-N -1 3 295.298 2.367 20 30 CEEDHM Cc1ccc(F)c([O-])c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000901207727 633989035 /nfs/dbraw/zinc/98/90/35/633989035.db2.gz RVHDYBKEANKREU-BETUJISGSA-N -1 3 290.342 2.034 20 30 CEEDHM Cc1ccc(F)c([O-])c1C=NNCCCn1ccnc1 ZINC000901261887 634026535 /nfs/dbraw/zinc/02/65/35/634026535.db2.gz QKDFIDFQWBWEIE-UHFFFAOYSA-N -1 3 276.315 2.050 20 30 CEEDHM O=C([C@@H]1CC12CCOCC2)N([O-])Cc1ccc(F)cc1 ZINC000901372427 634063916 /nfs/dbraw/zinc/06/39/16/634063916.db2.gz YXGMOPIIZZFIKA-ZDUSSCGKSA-N -1 3 279.311 2.360 20 30 CEEDHM CC(C)(C)CC(=O)NCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374914 634078416 /nfs/dbraw/zinc/07/84/16/634078416.db2.gz WQWXYNWARPUDCM-UHFFFAOYSA-N -1 3 296.342 2.096 20 30 CEEDHM Cn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1C1CC1 ZINC000901374766 634078568 /nfs/dbraw/zinc/07/85/68/634078568.db2.gz RJYNYZPVAJCJSK-UHFFFAOYSA-N -1 3 289.310 2.468 20 30 CEEDHM O=C(CC1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000901375295 634078995 /nfs/dbraw/zinc/07/89/95/634078995.db2.gz FGPUGWYEMQDQOB-UHFFFAOYSA-N -1 3 267.300 2.360 20 30 CEEDHM CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820180488 634347395 /nfs/dbraw/zinc/34/73/95/634347395.db2.gz ZKBJCBWSIHYKIJ-STQMWFEESA-N -1 3 282.384 2.089 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1COc2ccc(OC)cc2C1 ZINC000904209084 635500048 /nfs/dbraw/zinc/50/00/48/635500048.db2.gz SWMYYLCPROPDNY-LBPRGKRZSA-N -1 3 279.336 2.264 20 30 CEEDHM CCCCN([O-])C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000904209973 635500995 /nfs/dbraw/zinc/50/09/95/635500995.db2.gz CHFVQEMHPOZQIM-UHFFFAOYSA-N -1 3 264.325 2.298 20 30 CEEDHM NC(=O)CCCCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197362 635507792 /nfs/dbraw/zinc/50/77/92/635507792.db2.gz AKVNLLMOCBSDDX-UHFFFAOYSA-N -1 3 292.379 2.273 20 30 CEEDHM CCCCCCN([O-])C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000904205077 635512198 /nfs/dbraw/zinc/51/21/98/635512198.db2.gz ZVQCBEUMZIMNIJ-UHFFFAOYSA-N -1 3 289.353 2.095 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H](CC)N1CCCC1=O ZINC000904204634 635512212 /nfs/dbraw/zinc/51/22/12/635512212.db2.gz QDJNESZDIDYABL-GFCCVEGCSA-N -1 3 270.373 2.186 20 30 CEEDHM CCCCCCN([O-])C(=O)Cc1cnn(CC)c1 ZINC000904204505 635512223 /nfs/dbraw/zinc/51/22/23/635512223.db2.gz MYZFPQTUIICTMJ-UHFFFAOYSA-N -1 3 253.346 2.244 20 30 CEEDHM CCCCCCN([O-])C(=O)COCc1ncc(C)o1 ZINC000904204433 635512455 /nfs/dbraw/zinc/51/24/55/635512455.db2.gz LOFQOAZZZLFRKJ-UHFFFAOYSA-N -1 3 270.329 2.298 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C ZINC000904215803 635514409 /nfs/dbraw/zinc/51/44/09/635514409.db2.gz LFDJVQLKKLOPEB-SKDRFNHKSA-N -1 3 251.330 2.094 20 30 CEEDHM CCCCN([O-])C(=O)c1oc(C(=O)OC)cc1C ZINC000904215674 635515047 /nfs/dbraw/zinc/51/50/47/635515047.db2.gz JEWKNOLJNOXLBL-UHFFFAOYSA-N -1 3 255.270 2.006 20 30 CEEDHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824897485 635520405 /nfs/dbraw/zinc/52/04/05/635520405.db2.gz AQBFDCPZFDFZGY-VHSXEESVSA-N -1 3 296.334 2.113 20 30 CEEDHM C[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824897485 635520413 /nfs/dbraw/zinc/52/04/13/635520413.db2.gz AQBFDCPZFDFZGY-VHSXEESVSA-N -1 3 296.334 2.113 20 30 CEEDHM CCCCN([O-])C(=O)Cn1ccc2ccccc2c1=O ZINC000904213206 635522319 /nfs/dbraw/zinc/52/23/19/635522319.db2.gz LWDHIGXADSLLAC-UHFFFAOYSA-N -1 3 274.320 2.019 20 30 CEEDHM CCCCN([O-])C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000904214531 635523376 /nfs/dbraw/zinc/52/33/76/635523376.db2.gz CAQVZFWKJMNUGE-VIFPVBQESA-N -1 3 279.262 2.395 20 30 CEEDHM CN1C[C@H](CC/N=C/c2cc(Cl)ccc2[O-])CC1=O ZINC000905001878 635773170 /nfs/dbraw/zinc/77/31/70/635773170.db2.gz LIOLJEGUNBCFHM-LYQMGENXSA-N -1 3 280.755 2.333 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000905003495 635773865 /nfs/dbraw/zinc/77/38/65/635773865.db2.gz XACXCQHVJQHCML-UXQWNLSTSA-N -1 3 274.364 2.443 20 30 CEEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]CCCF ZINC000907052863 636928526 /nfs/dbraw/zinc/92/85/26/636928526.db2.gz LEQZYVVSIXLUKR-UHFFFAOYSA-N -1 3 298.364 2.411 20 30 CEEDHM CC#CCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907165985 636950384 /nfs/dbraw/zinc/95/03/84/636950384.db2.gz SAZVJKMJUIUUSL-UHFFFAOYSA-N -1 3 295.364 2.243 20 30 CEEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000908651327 637442828 /nfs/dbraw/zinc/44/28/28/637442828.db2.gz BTPQFDFLXUPTAQ-CYBMUJFWSA-N -1 3 289.331 2.238 20 30 CEEDHM CC(C)(C)c1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)CO)cc1 ZINC000909306230 637687591 /nfs/dbraw/zinc/68/75/91/637687591.db2.gz 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ZINC000588610434 803433342 /nfs/dbraw/zinc/43/33/42/803433342.db2.gz IEDNLQYSQDSNSQ-UHFFFAOYSA-N -1 3 298.298 2.073 20 30 CEEDHM C#CC[C@@H](COC)NCc1cccc([O-])c1Cl ZINC000716854569 815153816 /nfs/dbraw/zinc/15/38/16/815153816.db2.gz FGDFKLUOBDGRAY-NSHDSACASA-N -1 3 253.729 2.174 20 30 CEEDHM C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCCP(=O)([O-])[O-] ZINC001172293195 815383681 /nfs/dbraw/zinc/38/36/81/815383681.db2.gz BTURQGDLFZEZAF-GFCCVEGCSA-N -1 3 296.307 2.037 20 30 CEEDHM N#CC12CCC(Nc3ccc(-c4nnn[n-]4)nc3)(CC1)CC2 ZINC001169750464 811646361 /nfs/dbraw/zinc/64/63/61/811646361.db2.gz ARFDRKOEJCOLFX-UHFFFAOYSA-N -1 3 295.350 2.290 20 30 CEEDHM N#CC12CCC(Nc3ccc(-c4nn[n-]n4)nc3)(CC1)CC2 ZINC001169750464 811646368 /nfs/dbraw/zinc/64/63/68/811646368.db2.gz ARFDRKOEJCOLFX-UHFFFAOYSA-N -1 3 295.350 2.290 20 30 CEEDHM N#CCc1ccc([N+](=O)[O-])c(NCc2ncccc2[O-])c1 ZINC001169731077 811649639 /nfs/dbraw/zinc/64/96/39/811649639.db2.gz BDJNNFPFUOUBED-UHFFFAOYSA-N -1 3 284.275 2.374 20 30 CEEDHM Cc1cc(NCc2ncccc2[O-])cc([N+](=O)[O-])c1C#N ZINC001169736990 811652789 /nfs/dbraw/zinc/65/27/89/811652789.db2.gz NSHDDLKQMWXQCK-UHFFFAOYSA-N -1 3 284.275 2.488 20 30 CEEDHM CC#CC(=O)Nc1ccc(Br)cc1[O-] ZINC000801134039 811804585 /nfs/dbraw/zinc/80/45/85/811804585.db2.gz SVRWGNHEBZFANV-UHFFFAOYSA-N -1 3 254.083 2.117 20 30 CEEDHM Cc1ncc(Nc2ccccc2OCC#N)c(=O)[n-]1 ZINC001212599101 812012721 /nfs/dbraw/zinc/01/27/21/812012721.db2.gz CYJGVYBNILNFJF-UHFFFAOYSA-N -1 3 256.265 2.137 20 30 CEEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Cl)cn1 ZINC001262163361 812330081 /nfs/dbraw/zinc/33/00/81/812330081.db2.gz QKTQTBCONCYLKA-JTQLQIEISA-N -1 3 254.717 2.244 20 30 CEEDHM Cc1ccccc1[C@@H](O)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001144532257 814103070 /nfs/dbraw/zinc/10/30/70/814103070.db2.gz KEHNGTUXGUADRE-OAHLLOKOSA-N -1 3 282.299 2.244 20 30 CEEDHM COc1cccc(C(=O)NC2=CC(=O)CC(C)(C)C2)c1[O-] ZINC001148208237 814536036 /nfs/dbraw/zinc/53/60/36/814536036.db2.gz HOIFBYTVIPFODT-UHFFFAOYSA-N -1 3 289.331 2.404 20 30 CEEDHM CC(=O)c1cc(C(=O)N[C@@H](C#N)CC(C)C)ccc1[O-] ZINC001148670637 814604755 /nfs/dbraw/zinc/60/47/55/814604755.db2.gz KFCFLEYENZDWOO-GFCCVEGCSA-N -1 3 274.320 2.263 20 30 CEEDHM Cc1cc(Cl)cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001171365708 814669927 /nfs/dbraw/zinc/66/99/27/814669927.db2.gz ILAYJSNHBAIDAX-KWQFWETISA-N -1 3 254.717 2.296 20 30 CEEDHM CCOc1c(C)cc(C)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171368782 814674288 /nfs/dbraw/zinc/67/42/88/814674288.db2.gz MLGBVTUMJILWKC-AAEUAGOBSA-N -1 3 278.352 2.350 20 30 CEEDHM N#Cc1cnoc1[N-]c1cnn([C@H]2CCCCO2)c1 ZINC001174598170 816058455 /nfs/dbraw/zinc/05/84/55/816058455.db2.gz LYKPMDQJGQXRJU-LLVKDONJSA-N -1 3 259.269 2.185 20 30 CEEDHM COC(=O)c1ncsc1[N-]c1cnc(C#N)c(F)c1 ZINC001203055516 816314257 /nfs/dbraw/zinc/31/42/57/816314257.db2.gz GRAVPBYQCNPYKZ-UHFFFAOYSA-N -1 3 278.268 2.079 20 30 CEEDHM Cc1ncc(CO)c(CN(CCC#N)C2CCCC2)c1[O-] ZINC001140868757 816389766 /nfs/dbraw/zinc/38/97/66/816389766.db2.gz XYXBZCWLLNGGCL-UHFFFAOYSA-N -1 3 289.379 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285.347 2.247 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1c(C)nn(C)c1Cl ZINC000493847749 381149071 /nfs/dbraw/zinc/14/90/71/381149071.db2.gz PRUNKTGKJLLIEE-NFXKFNAJSA-N -1 3 269.732 2.017 20 30 CEEDHM CC[C@H](C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000421583073 394555689 /nfs/dbraw/zinc/55/56/89/394555689.db2.gz WOTDPRVGQIGQSI-JTQLQIEISA-N -1 3 289.379 2.371 20 30 CEEDHM C[C@@H]1C[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)CCC1=O ZINC000328912565 394556394 /nfs/dbraw/zinc/55/63/94/394556394.db2.gz HIFNAWXEIXGYTF-NXEZZACHSA-N -1 3 299.334 2.460 20 30 CEEDHM C[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)CCC1=O ZINC000328912565 394556396 /nfs/dbraw/zinc/55/63/96/394556396.db2.gz HIFNAWXEIXGYTF-NXEZZACHSA-N -1 3 299.334 2.460 20 30 CEEDHM C[C@@H]1C[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)CCC1=O ZINC000328912565 394556402 /nfs/dbraw/zinc/55/64/02/394556402.db2.gz HIFNAWXEIXGYTF-NXEZZACHSA-N -1 3 299.334 2.460 20 30 CEEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000123103071 394823180 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C=C(C)CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000451795970 395624963 /nfs/dbraw/zinc/62/49/63/395624963.db2.gz AAFXAXQJGPMVSO-UHFFFAOYSA-N -1 3 284.337 2.148 20 30 CEEDHM N#Cc1ccc(/C=C/C(=O)N=c2cc3ccccn3[n-]2)cc1 ZINC000492920119 395671260 /nfs/dbraw/zinc/67/12/60/395671260.db2.gz HXTVOYVFGJTAJQ-CMDGGOBGSA-N -1 3 288.310 2.280 20 30 CEEDHM C=CCn1c(=O)[n-]nc1SCCC[C@H]1CCOC1 ZINC000647118456 396412912 /nfs/dbraw/zinc/41/29/12/396412912.db2.gz YPMYOAKSHTVWNS-JTQLQIEISA-N -1 3 269.370 2.079 20 30 CEEDHM N#Cc1cc(C(=O)Nc2ccc([O-])cc2F)ccn1 ZINC000193780752 153239898 /nfs/dbraw/zinc/23/98/98/153239898.db2.gz FABRXAZIPJEGPF-UHFFFAOYSA-N -1 3 257.224 2.050 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)s1 ZINC000230349447 153389201 /nfs/dbraw/zinc/38/92/01/153389201.db2.gz OMBYPRSUWBULMG-UHFFFAOYSA-N -1 3 282.390 2.088 20 30 CEEDHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230345580 153389537 /nfs/dbraw/zinc/38/95/37/153389537.db2.gz NKRMJCQDSMCKAI-UHFFFAOYSA-N -1 3 272.395 2.477 20 30 CEEDHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230343265 153391493 /nfs/dbraw/zinc/39/14/93/153391493.db2.gz MDXCZDDDFJQXFB-UHFFFAOYSA-N -1 3 298.414 2.468 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC2)c(Cl)c1 ZINC000169277146 165038612 /nfs/dbraw/zinc/03/86/12/165038612.db2.gz FCNSGHRYHPKSGX-UHFFFAOYSA-N -1 3 284.768 2.290 20 30 CEEDHM C=CCC1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000657187362 414799130 /nfs/dbraw/zinc/79/91/30/414799130.db2.gz NDXVXKBJEIQZPN-UHFFFAOYSA-N -1 3 284.381 2.459 20 30 CEEDHM CC(=O)c1ccc(C(=O)NCC2(C#N)CCCC2)cc1[O-] ZINC000653038167 414876995 /nfs/dbraw/zinc/87/69/95/414876995.db2.gz ZHURWZULMBKADM-UHFFFAOYSA-N -1 3 286.331 2.409 20 30 CEEDHM Cn1cnc2cc(C([O-])=C(C#N)c3ccccn3)ccc21 ZINC000347307706 226125057 /nfs/dbraw/zinc/12/50/57/226125057.db2.gz NFTGMFWJLNPLEU-GFCCVEGCSA-N -1 3 276.299 2.458 20 30 CEEDHM COCc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354475744 227008856 /nfs/dbraw/zinc/00/88/56/227008856.db2.gz RLNIYFOWRKVAGJ-ZDUSSCGKSA-N -1 3 267.288 2.113 20 30 CEEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CCC[C@@H]3OCC[C@@H]32)c1O ZINC000155080164 261097550 /nfs/dbraw/zinc/09/75/50/261097550.db2.gz JUAQAFXAWKRXMQ-JMLYBMSZSA-N -1 3 277.320 2.180 20 30 CEEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000331815652 261175167 /nfs/dbraw/zinc/17/51/67/261175167.db2.gz BPPYJFOWLHVMRU-UHFFFAOYSA-N -1 3 290.797 2.374 20 30 CEEDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000193310691 262220556 /nfs/dbraw/zinc/22/05/56/262220556.db2.gz AVGQNZDBQJVQMU-LLVKDONJSA-N -1 3 296.392 2.264 20 30 CEEDHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@H](C#N)C(C)C)c1 ZINC000337135379 262425412 /nfs/dbraw/zinc/42/54/12/262425412.db2.gz MJSVNCKERXARGZ-AWEZNQCLSA-N -1 3 280.393 2.271 20 30 CEEDHM COc1cc(C(=O)N[C@H](C#N)C(C)(C)C)ccc1[O-] ZINC000275929925 263034530 /nfs/dbraw/zinc/03/45/30/263034530.db2.gz CFMLAEPRJNXPLS-GFCCVEGCSA-N -1 3 262.309 2.069 20 30 CEEDHM CCOC1CC(CC/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000276504627 263036951 /nfs/dbraw/zinc/03/69/51/263036951.db2.gz WZAFMBDFITVCJM-RQZCQDPDSA-N -1 3 292.379 2.212 20 30 CEEDHM N#CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291678061 263124704 /nfs/dbraw/zinc/12/47/04/263124704.db2.gz LBOZWEKDJVDVAV-UHFFFAOYSA-N -1 3 298.311 2.349 20 30 CEEDHM CC(F)(F)C(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000293510419 263142423 /nfs/dbraw/zinc/14/24/23/263142423.db2.gz NSRCUPIABDHRKH-AWEZNQCLSA-N -1 3 264.275 2.209 20 30 CEEDHM C=CCCCC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416465033 263720091 /nfs/dbraw/zinc/72/00/91/263720091.db2.gz KCEYNGYEHUEKPD-GFCCVEGCSA-N -1 3 297.424 2.415 20 30 CEEDHM N#CC1(CS(=O)(=O)[N-]Cc2ccco2)CCCCC1 ZINC000330889767 264064302 /nfs/dbraw/zinc/06/43/02/264064302.db2.gz VLDFGHOUJHVHJL-UHFFFAOYSA-N -1 3 282.365 2.173 20 30 CEEDHM CCC(C)(CC)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330901809 264073233 /nfs/dbraw/zinc/07/32/33/264073233.db2.gz BGUYZGCJDLSKII-UHFFFAOYSA-N -1 3 266.345 2.132 20 30 CEEDHM CC(C)[C@@H](O)CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331231635 264153224 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C[C@@H](C#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188940701 264263268 /nfs/dbraw/zinc/26/32/68/264263268.db2.gz YEJMVJHMHGAIHW-NSHDSACASA-N -1 3 294.310 2.265 20 30 CEEDHM C=CCCC1(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000356866426 266198655 /nfs/dbraw/zinc/19/86/55/266198655.db2.gz SFUZAFCRCSSJOJ-UHFFFAOYSA-N -1 3 288.273 2.186 20 30 CEEDHM C=CCCC1(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000356866426 266198660 /nfs/dbraw/zinc/19/86/60/266198660.db2.gz SFUZAFCRCSSJOJ-UHFFFAOYSA-N -1 3 288.273 2.186 20 30 CEEDHM C=CCCC1(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000356866426 266198663 /nfs/dbraw/zinc/19/86/63/266198663.db2.gz SFUZAFCRCSSJOJ-UHFFFAOYSA-N -1 3 288.273 2.186 20 30 CEEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(N(C)C)c2)nc(C)n1 ZINC000357806283 266368946 /nfs/dbraw/zinc/36/89/46/266368946.db2.gz YPSUAMHCCAGRKK-ZDUSSCGKSA-N -1 3 295.346 2.045 20 30 CEEDHM CC(C)(C)CCCC[N-]S(=O)(=O)c1cccnc1C#N ZINC000428263740 271251212 /nfs/dbraw/zinc/25/12/12/271251212.db2.gz TXMGCAWMJUUSAW-UHFFFAOYSA-N -1 3 295.408 2.448 20 30 CEEDHM C=CCN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000347463978 527561927 /nfs/dbraw/zinc/56/19/27/527561927.db2.gz OKWMWRPWNKXFRV-UHFFFAOYSA-N -1 3 284.153 2.342 20 30 CEEDHM N#CC1(NC(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000186396065 327688972 /nfs/dbraw/zinc/68/89/72/327688972.db2.gz OKILIQHSVAFOON-UHFFFAOYSA-N -1 3 256.305 2.057 20 30 CEEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496141891 327921559 /nfs/dbraw/zinc/92/15/59/327921559.db2.gz PGPRUCANUIWCTH-GFCCVEGCSA-N -1 3 298.383 2.257 20 30 CEEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000571221064 328093116 /nfs/dbraw/zinc/09/31/16/328093116.db2.gz BAEDFGGTYNSZBL-UHFFFAOYSA-N -1 3 298.311 2.347 20 30 CEEDHM CCc1n[n-]c(S(=O)(=O)CCC2(C#N)CCCCC2)n1 ZINC000414219042 328153091 /nfs/dbraw/zinc/15/30/91/328153091.db2.gz GOAVYHXTDJXKDZ-UHFFFAOYSA-N -1 3 296.396 2.005 20 30 CEEDHM CCc1nnc(S(=O)(=O)CCC2(C#N)CCCCC2)[n-]1 ZINC000414219042 328153093 /nfs/dbraw/zinc/15/30/93/328153093.db2.gz 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C=C[C@H](C)O[N-]C(=O)Nc1nnc(C2CCOCC2)s1 ZINC000844687858 640807678 /nfs/dbraw/zinc/80/76/78/640807678.db2.gz IWDIVANRXOTJPT-QMMMGPOBSA-N -1 3 298.368 2.060 20 30 CEEDHM COc1ccc2ccc([O-])c(CN3CCO[C@@H](C#N)C3)c2c1 ZINC000106065016 641112717 /nfs/dbraw/zinc/11/27/17/641112717.db2.gz VJIPORYXXBEPPF-AWEZNQCLSA-N -1 3 298.342 2.278 20 30 CEEDHM COc1c(C)cc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1C ZINC000920373212 641143839 /nfs/dbraw/zinc/14/38/39/641143839.db2.gz ANKIQKSCTCCEHL-UHFFFAOYSA-N -1 3 296.334 2.424 20 30 CEEDHM C=C(C)CO[N-]C(=O)Cc1cc(F)ccc1OC ZINC000846535130 641326112 /nfs/dbraw/zinc/32/61/12/641326112.db2.gz QLRKHJMRVIXIHX-UHFFFAOYSA-N -1 3 253.273 2.001 20 30 CEEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc(OC)c(F)c1 ZINC000846537021 641328463 /nfs/dbraw/zinc/32/84/63/641328463.db2.gz FVJPAIFFDARUFE-UHFFFAOYSA-N -1 3 295.310 2.421 20 30 CEEDHM C=C(C)CO[N-]C(=O)CCCNC(=O)NC1CCCCC1 ZINC000846536957 641328722 /nfs/dbraw/zinc/32/87/22/641328722.db2.gz CRMPQABZNIHVJQ-UHFFFAOYSA-N -1 3 297.399 2.022 20 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QZWPFVGFRAQZIK-VXGBXAGGSA-N -1 3 278.327 2.274 20 30 CEEDHM CC[C@H](C)c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848135217 641902228 /nfs/dbraw/zinc/90/22/28/641902228.db2.gz ASXPRMJLPYLFAH-SMDDNHRTSA-N -1 3 290.363 2.310 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CCC2SCCS2)c1[O-] ZINC000852998516 643614717 /nfs/dbraw/zinc/61/47/17/643614717.db2.gz NMPDTRBIESHISI-VGOFMYFVSA-N -1 3 298.433 2.203 20 30 CEEDHM Cc1cc([O-])c(C=NNC[C@@H](C)C#N)cc1Cl ZINC000853323651 643740133 /nfs/dbraw/zinc/74/01/33/643740133.db2.gz ITLHEKUOTUCUIZ-QMMMGPOBSA-N -1 3 251.717 2.437 20 30 CEEDHM [O-]c1cc(Br)ccc1C=NNC1CC1 ZINC000853333187 643744526 /nfs/dbraw/zinc/74/45/26/643744526.db2.gz DSVGCFCEROICKR-UHFFFAOYSA-N -1 3 255.115 2.241 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000824033071 643779848 /nfs/dbraw/zinc/77/98/48/643779848.db2.gz BBUNTCYGFVQOJK-CIUDSAMLSA-N -1 3 267.247 2.109 20 30 CEEDHM C=CCCO[N-]C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000856027963 644545656 /nfs/dbraw/zinc/54/56/56/644545656.db2.gz ICNVDYGPEZXJFI-VIFPVBQESA-N -1 3 277.246 2.001 20 30 CEEDHM C=CCCO[N-]C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000856030760 644547667 /nfs/dbraw/zinc/54/76/67/644547667.db2.gz QBBLEBPDIBMIBE-UHFFFAOYSA-N -1 3 273.283 2.061 20 30 CEEDHM C=CCCO[N-]C(=O)CCc1nc(C2CCCC2)no1 ZINC000856033015 644548830 /nfs/dbraw/zinc/54/88/30/644548830.db2.gz VWGJXENXNBJOSO-UHFFFAOYSA-N -1 3 279.340 2.284 20 30 CEEDHM C[C@H](NC(=S)NN=Cc1cc(F)ccc1[O-])C1CC1 ZINC000755768045 644558421 /nfs/dbraw/zinc/55/84/21/644558421.db2.gz OATIEMOPFBDXBW-QMMMGPOBSA-N -1 3 281.356 2.128 20 30 CEEDHM C[C@@H](NC(=S)NN=Cc1cc(F)ccc1[O-])C1CC1 ZINC000755768044 644558568 /nfs/dbraw/zinc/55/85/68/644558568.db2.gz OATIEMOPFBDXBW-MRVPVSSYSA-N -1 3 281.356 2.128 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc[nH]2)c1[O-] ZINC000760229049 645124007 /nfs/dbraw/zinc/12/40/07/645124007.db2.gz NRPPNAWZTCIWLP-KKBGLURWSA-N -1 3 259.309 2.096 20 30 CEEDHM C#CC[C@@H](COC)[N-]c1nc(-c2ccccc2)no1 ZINC000858859562 645273687 /nfs/dbraw/zinc/27/36/87/645273687.db2.gz QJVFXBSUYFJMID-LBPRGKRZSA-N -1 3 257.293 2.187 20 30 CEEDHM CO[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCOC1 ZINC000763360818 645536552 /nfs/dbraw/zinc/53/65/52/645536552.db2.gz FHWVXOVTZCOTSV-BKNIFWKGSA-N -1 3 269.728 2.270 20 30 CEEDHM COc1nccnc1N=NC(C)c1ccc(F)cc1[O-] ZINC000763410958 645542765 /nfs/dbraw/zinc/54/27/65/645542765.db2.gz DZHOVIHOYWFWLO-UHFFFAOYSA-N -1 3 276.271 2.166 20 30 CEEDHM C=CCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000117993706 646023477 /nfs/dbraw/zinc/02/34/77/646023477.db2.gz XPPYCJYOMJIYGK-UHFFFAOYSA-N -1 3 288.347 2.305 20 30 CEEDHM [O-]c1c(F)cc(Cl)cc1C=NNc1cccnn1 ZINC000768362535 646113713 /nfs/dbraw/zinc/11/37/13/646113713.db2.gz NTDSHGYHGNQJML-UHFFFAOYSA-N -1 3 266.663 2.421 20 30 CEEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000770393054 646386359 /nfs/dbraw/zinc/38/63/59/646386359.db2.gz KWDGCYUGUKPLDM-QMMMGPOBSA-N -1 3 291.294 2.184 20 30 CEEDHM C[C@@H](C#N)CNN=Cc1cc(Br)ccc1[O-] ZINC000771100733 646487257 /nfs/dbraw/zinc/48/72/57/646487257.db2.gz VNLZEOBQBRQRBH-QMMMGPOBSA-N -1 3 282.141 2.238 20 30 CEEDHM Cc1cc([O-])c(C=NN2CCOC2=O)c(Cl)c1 ZINC000863161637 646660084 /nfs/dbraw/zinc/66/00/84/646660084.db2.gz RQDCMZVOJCHRBM-UHFFFAOYSA-N -1 3 254.673 2.140 20 30 CEEDHM C[C@@H]1COC(=O)C1=N[N-]c1ccnc(C(F)(F)F)c1 ZINC000863178871 646664657 /nfs/dbraw/zinc/66/46/57/646664657.db2.gz ITKKNGQYRCMLFY-ZCFIWIBFSA-N -1 3 273.214 2.061 20 30 CEEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)[C@@H]1CCCO1 ZINC000772881972 646682729 /nfs/dbraw/zinc/68/27/29/646682729.db2.gz FUMJLIYITXLLEE-OLZOCXBDSA-N -1 3 297.276 2.215 20 30 CEEDHM Cc1cccc2c1[C@H](C)CC2=NN=c1cc[n-]n1C ZINC000774410572 646842542 /nfs/dbraw/zinc/84/25/42/646842542.db2.gz KYTVCSCKGWUFPG-LLVKDONJSA-N -1 3 254.337 2.474 20 30 CEEDHM Cc1cc(C=NN=c2cc[n-]n2C)c(C)n1CC(C)C ZINC000774415367 646843969 /nfs/dbraw/zinc/84/39/69/646843969.db2.gz PRGHWGTZKYKASU-UHFFFAOYSA-N -1 3 273.384 2.362 20 30 CEEDHM CCCOc1ccc(C=NN=c2cc[n-]n2C)cc1OC ZINC000774414830 646844317 /nfs/dbraw/zinc/84/43/17/646844317.db2.gz LHCSQYKTXZZULL-UHFFFAOYSA-N -1 3 288.351 2.085 20 30 CEEDHM CCOCCON=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000774436708 646845327 /nfs/dbraw/zinc/84/53/27/646845327.db2.gz UYAVESWVPCSBIX-UHFFFAOYSA-N -1 3 273.716 2.441 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CC[C@H]2CCCS2)c1[O-] ZINC000864347395 646975215 /nfs/dbraw/zinc/97/52/15/646975215.db2.gz PXVNBSFGNIKFRZ-AZZDOICSSA-N -1 3 280.393 2.293 20 30 CEEDHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CC3)n[n-]2)o1 ZINC000775852656 646998493 /nfs/dbraw/zinc/99/84/93/646998493.db2.gz LXCAXBSIXLQPFB-UHFFFAOYSA-N -1 3 271.276 2.439 20 30 CEEDHM Cc1ccc(-c2cc(C(=O)OCC3(C#N)CC3)[n-]n2)o1 ZINC000775852656 646998495 /nfs/dbraw/zinc/99/84/95/646998495.db2.gz LXCAXBSIXLQPFB-UHFFFAOYSA-N -1 3 271.276 2.439 20 30 CEEDHM C=C(Cl)C[C@H](NCc1cccc2c1OCO2)C(=O)[O-] ZINC000864519066 647034556 /nfs/dbraw/zinc/03/45/56/647034556.db2.gz CMFVBKBVSXGWAG-JTQLQIEISA-N -1 3 283.711 2.101 20 30 CEEDHM Cc1nc(C(=O)N[O-])nn1-c1c(Cl)cccc1Cl ZINC000782171111 647595093 /nfs/dbraw/zinc/59/50/93/647595093.db2.gz YXNXEVQIIPEVMU-UHFFFAOYSA-N -1 3 287.106 2.002 20 30 CEEDHM Cc1ncc(CO)c(C=Nc2cccc3c2OCO3)c1[O-] ZINC000782175144 647595717 /nfs/dbraw/zinc/59/57/17/647595717.db2.gz LCVDJPIRRATFJY-UHFFFAOYSA-N -1 3 286.287 2.067 20 30 CEEDHM C#CCOCC/N=C/c1cc(Br)ccc1[O-] ZINC000783684801 647748244 /nfs/dbraw/zinc/74/82/44/647748244.db2.gz JGFIWQUAUUBFHU-NTEUORMPSA-N -1 3 282.137 2.223 20 30 CEEDHM Cc1ncc(CN[C@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866370905 647761460 /nfs/dbraw/zinc/76/14/60/647761460.db2.gz BSBQTKXDMLKPEI-SECBINFHSA-N -1 3 257.293 2.411 20 30 CEEDHM CCn1ccc(CN[C@H](C)c2cccc(C#N)c2[O-])n1 ZINC000866373054 647762606 /nfs/dbraw/zinc/76/26/06/647762606.db2.gz LKCDSYRLIIHJKC-LLVKDONJSA-N -1 3 270.336 2.331 20 30 CEEDHM C[C@H]1CCN(CCCC#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789067 647964310 /nfs/dbraw/zinc/96/43/10/647964310.db2.gz XXVHCACYFIIGSD-DCAQKATOSA-N -1 3 291.317 2.068 20 30 CEEDHM C=C[C@H](C)ONC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869154537 648361762 /nfs/dbraw/zinc/36/17/62/648361762.db2.gz USKSYCBQPZWEQT-QMMMGPOBSA-N -1 3 255.701 2.210 20 30 CEEDHM C#CCOc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000790944528 648462772 /nfs/dbraw/zinc/46/27/72/648462772.db2.gz AZQNEGVISZCELX-UHFFFAOYSA-N -1 3 283.283 2.362 20 30 CEEDHM CCCCC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000869477061 648475353 /nfs/dbraw/zinc/47/53/53/648475353.db2.gz TZWUTHWJFVSIAQ-UHFFFAOYSA-N -1 3 261.277 2.180 20 30 CEEDHM CC[C@H](NN=Cc1ccc(N(CC)CC)cc1)C(=O)[O-] ZINC000793071422 648704175 /nfs/dbraw/zinc/70/41/75/648704175.db2.gz IPFAFJDNZNYYFJ-AWEZNQCLSA-N -1 3 277.368 2.320 20 30 CEEDHM CCc1nccn1[C@@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870690096 648880543 /nfs/dbraw/zinc/88/05/43/648880543.db2.gz JJYPBGPELKDXSS-LBPRGKRZSA-N -1 3 298.346 2.378 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)OC[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000873380013 649659173 /nfs/dbraw/zinc/65/91/73/649659173.db2.gz KWJWXEZLTVWECP-UGFHNGPFSA-N -1 3 287.315 2.378 20 30 CEEDHM N#Cc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000873642460 649717045 /nfs/dbraw/zinc/71/70/45/649717045.db2.gz VMOWQYWJJPWYJZ-LLVKDONJSA-N -1 3 262.309 2.371 20 30 CEEDHM C=CCCC[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000880388895 651434664 /nfs/dbraw/zinc/43/46/64/651434664.db2.gz BSFJAEFUARHOPB-CQSZACIVSA-N -1 3 286.379 2.296 20 30 CEEDHM C=C(C)C[C@@H](CO)NC(=O)c1cc(SC)ccc1[O-] ZINC000882904272 652263421 /nfs/dbraw/zinc/26/34/21/652263421.db2.gz UCUOTSHWWWLZHL-JTQLQIEISA-N -1 3 281.377 2.171 20 30 CEEDHM N#Cc1cc(COC(=O)c2cccc3nn[n-]c32)ccc1F ZINC000800206572 652687093 /nfs/dbraw/zinc/68/70/93/652687093.db2.gz HJZMDZCTHOFWJM-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1cc(COC(=O)c2cccc3[n-]nnc32)ccc1F ZINC000800206572 652687097 /nfs/dbraw/zinc/68/70/97/652687097.db2.gz HJZMDZCTHOFWJM-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1cc(COC(=O)c2cccc3n[n-]nc32)ccc1F ZINC000800206572 652687101 /nfs/dbraw/zinc/68/71/01/652687101.db2.gz HJZMDZCTHOFWJM-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM CCC1=C(Oc2cc([O-])ccc2C(=O)OC)C(=O)[C@H](C)O1 ZINC001228191744 806143035 /nfs/dbraw/zinc/14/30/35/806143035.db2.gz ZVTCDPKYCKPNPS-QMMMGPOBSA-N -1 3 292.287 2.167 20 30 CEEDHM C=C1CCC(C[N-]S(=O)(=O)c2cccnc2F)CC1 ZINC000724445079 803116027 /nfs/dbraw/zinc/11/60/27/803116027.db2.gz QDYVJPWMPBFHCY-UHFFFAOYSA-N -1 3 284.356 2.245 20 30 CEEDHM C=CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC000703668050 809675854 /nfs/dbraw/zinc/67/58/54/809675854.db2.gz QUTBNJDUVIRLAD-SNVBAGLBSA-N -1 3 250.298 2.161 20 30 CEEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccnc1Cl ZINC000393817022 811301235 /nfs/dbraw/zinc/30/12/35/811301235.db2.gz DMRNOALVGNREHW-SECBINFHSA-N -1 3 274.773 2.368 20 30 CEEDHM N#Cc1ccc2ccnc(NCCCc3c[n-][nH]c3=O)c2c1 ZINC001156278991 811473542 /nfs/dbraw/zinc/47/35/42/811473542.db2.gz PFCUPRLPYFBORD-ZDUSSCGKSA-N -1 3 293.330 2.030 20 30 CEEDHM O=C1NCc2ccccc2[C@H]1Nc1cccc(/C=N/[O-])c1 ZINC001169885080 811691725 /nfs/dbraw/zinc/69/17/25/811691725.db2.gz FMZPQBCYCGOEKA-QANDDYDISA-N -1 3 281.315 2.278 20 30 CEEDHM N#Cc1cc(NC(=O)Cc2ccccc2O)ccc1[O-] ZINC001144261729 814004976 /nfs/dbraw/zinc/00/49/76/814004976.db2.gz YSFJGMAXFHPMOE-UHFFFAOYSA-N -1 3 268.272 2.151 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001144590308 814121323 /nfs/dbraw/zinc/12/13/23/814121323.db2.gz ZGDYLXFSFUUOAT-SECBINFHSA-N -1 3 289.291 2.241 20 30 CEEDHM N#CCc1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586406 814591872 /nfs/dbraw/zinc/59/18/72/814591872.db2.gz NWQLWCGGGLJLAM-UHFFFAOYSA-N -1 3 284.271 2.122 20 30 CEEDHM CC(=O)c1cc(C(=O)Nc2cc(C#N)ccn2)ccc1[O-] ZINC001148655466 814594469 /nfs/dbraw/zinc/59/44/69/814594469.db2.gz DHOXEWQUMMACSN-UHFFFAOYSA-N -1 3 281.271 2.114 20 30 CEEDHM Cc1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c2ncccc12 ZINC001171366121 814666959 /nfs/dbraw/zinc/66/69/59/814666959.db2.gz UDTITMNPKKPNQL-GWCFXTLKSA-N -1 3 271.320 2.191 20 30 CEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cncc2c(F)cccc12 ZINC001171369607 814673218 /nfs/dbraw/zinc/67/32/18/814673218.db2.gz VVQMIRZSMXKHII-SDBXPKJASA-N -1 3 275.283 2.022 20 30 CEEDHM Cc1nc(OCC(C)C)ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171368912 814673674 /nfs/dbraw/zinc/67/36/74/814673674.db2.gz NRHPBRNBKSAHTB-HZMBPMFUSA-N -1 3 293.367 2.073 20 30 CEEDHM CS(=O)(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174027997 815897746 /nfs/dbraw/zinc/89/77/46/815897746.db2.gz BMGWFBBZWIXMTH-UHFFFAOYSA-N -1 3 288.328 2.411 20 30 CEEDHM N#Cc1nc(Cl)c(Nc2cc(F)ccc2[O-])nc1C#N ZINC001174625452 816053153 /nfs/dbraw/zinc/05/31/53/816053153.db2.gz FLPJWVWZUDLXLL-UHFFFAOYSA-N -1 3 289.657 2.462 20 30 CEEDHM CN(Cc1cccc(C#N)c1)Cc1ccncc1[O-] ZINC001140281616 816223381 /nfs/dbraw/zinc/22/33/81/816223381.db2.gz FBDDQMOZRRHSPN-UHFFFAOYSA-N -1 3 253.305 2.291 20 30 CEEDHM C#CCN(CC#C)Cc1cccc([O-])c1Br ZINC001140555853 816284450 /nfs/dbraw/zinc/28/44/50/816284450.db2.gz ZLLJOYKMPKRSJP-UHFFFAOYSA-N -1 3 278.149 2.223 20 30 CEEDHM C=CCn1cc(Nc2cccc(C(=O)N(C)C)c2[O-])cn1 ZINC001176549081 816438922 /nfs/dbraw/zinc/43/89/22/816438922.db2.gz DKDSCRYRRDXKRV-UHFFFAOYSA-N -1 3 286.335 2.220 20 30 CEEDHM O=C(C#Cc1ccccn1)Nc1cc([O-])cc(Cl)c1 ZINC001177802255 816625038 /nfs/dbraw/zinc/62/50/38/816625038.db2.gz CIJUAZREEMVPCL-UHFFFAOYSA-N -1 3 272.691 2.431 20 30 CEEDHM Cc1noc([N-]c2cnn(Cc3ccncc3)c2)c1C#N ZINC001203125362 816745681 /nfs/dbraw/zinc/74/56/81/816745681.db2.gz ZLQWTBCIGHGYHN-UHFFFAOYSA-N -1 3 280.291 2.238 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)s1 ZINC000601481514 346841956 /nfs/dbraw/zinc/84/19/56/346841956.db2.gz XBTNIDGNOLGLDF-SNVBAGLBSA-N -1 3 282.390 2.231 20 30 CEEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccs1)C1CCCCC1 ZINC000040365802 361991353 /nfs/dbraw/zinc/99/13/53/361991353.db2.gz YUMBCMQNJYHSQV-LLVKDONJSA-N -1 3 284.406 2.499 20 30 CEEDHM CC(C)C[C@@H](Cc1ccn(C(C)C)n1)C(=O)N[O-] ZINC000671996701 539197829 /nfs/dbraw/zinc/19/78/29/539197829.db2.gz SKABNBXJNJBZNF-NSHDSACASA-N -1 3 253.346 2.174 20 30 CEEDHM Cc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)ccc1[O-] ZINC000601821684 346910225 /nfs/dbraw/zinc/91/02/25/346910225.db2.gz SRXTVDNSVAAWLH-QWHCGFSZSA-N -1 3 258.321 2.465 20 30 CEEDHM CC(C)c1c(-c2ccccc2)[n-]n(CCC#N)c1=O ZINC000601930933 346929441 /nfs/dbraw/zinc/92/94/41/346929441.db2.gz LECTZSOVEQLQGK-ZDUSSCGKSA-N -1 3 255.321 2.419 20 30 CEEDHM CS(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC000038273621 343434429 /nfs/dbraw/zinc/43/44/29/343434429.db2.gz IXXNKLZUSURNKP-UHFFFAOYSA-N -1 3 271.341 2.458 20 30 CEEDHM CC(C)OCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000063720759 343682279 /nfs/dbraw/zinc/68/22/79/343682279.db2.gz RLHCWAGSGMICCF-UHFFFAOYSA-N -1 3 250.258 2.078 20 30 CEEDHM CC(C)OCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000063720759 343682281 /nfs/dbraw/zinc/68/22/81/343682281.db2.gz RLHCWAGSGMICCF-UHFFFAOYSA-N -1 3 250.258 2.078 20 30 CEEDHM CC(C)OCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000063720759 343682282 /nfs/dbraw/zinc/68/22/82/343682282.db2.gz RLHCWAGSGMICCF-UHFFFAOYSA-N -1 3 250.258 2.078 20 30 CEEDHM C=C(C)CNC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000342543330 344772306 /nfs/dbraw/zinc/77/23/06/344772306.db2.gz LWTQYIVBWMSCDL-UHFFFAOYSA-N -1 3 256.305 2.142 20 30 CEEDHM CCc1cccc(C(=O)N2CCC(C#N)CC2)c1[O-] ZINC000531432499 344931008 /nfs/dbraw/zinc/93/10/08/344931008.db2.gz BIRFBEWMWPAHBO-UHFFFAOYSA-N -1 3 258.321 2.330 20 30 CEEDHM C=CCn1c(SCc2cccc(N)c2)n[n-]c1=O ZINC000581586280 344953586 /nfs/dbraw/zinc/95/35/86/344953586.db2.gz JNRQOAZNBSUKII-UHFFFAOYSA-N -1 3 262.338 2.044 20 30 CEEDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000590165121 345118711 /nfs/dbraw/zinc/11/87/11/345118711.db2.gz IMJIQIZQXZUPHM-UHFFFAOYSA-N -1 3 294.710 2.145 20 30 CEEDHM Cc1ccc(-c2nnc(NC(=O)CCCCC#N)[n-]2)o1 ZINC000594418103 345624471 /nfs/dbraw/zinc/62/44/71/345624471.db2.gz XJHGDHUDLQRETH-UHFFFAOYSA-N -1 3 273.296 2.396 20 30 CEEDHM Cc1ccc(-c2n[n-]c(NC(=O)CCCCC#N)n2)o1 ZINC000594418103 345624477 /nfs/dbraw/zinc/62/44/77/345624477.db2.gz XJHGDHUDLQRETH-UHFFFAOYSA-N -1 3 273.296 2.396 20 30 CEEDHM 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C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000340885600 367074248 /nfs/dbraw/zinc/07/42/48/367074248.db2.gz MEUDICYXKPPPAY-SSDOTTSWSA-N -1 3 263.721 2.332 20 30 CEEDHM CC[C@@H](C)n1nc([N-]c2nc(C)cc(C#N)n2)cc1C ZINC000342915790 367596251 /nfs/dbraw/zinc/59/62/51/367596251.db2.gz GSKCEPKBTVLQBQ-SNVBAGLBSA-N -1 3 270.340 2.298 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000179783919 368352131 /nfs/dbraw/zinc/35/21/31/368352131.db2.gz DZIDVWBMKFGTND-SNVBAGLBSA-N -1 3 258.325 2.433 20 30 CEEDHM Cc1nc(C)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)s1 ZINC000180669908 368391390 /nfs/dbraw/zinc/39/13/90/368391390.db2.gz YBLTUPNELNGODF-UHFFFAOYSA-N -1 3 299.421 2.265 20 30 CEEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000185035210 368738400 /nfs/dbraw/zinc/73/84/00/368738400.db2.gz SLEMCXLRRXCISJ-VIFPVBQESA-N -1 3 265.313 2.127 20 30 CEEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000185035210 368738401 /nfs/dbraw/zinc/73/84/01/368738401.db2.gz SLEMCXLRRXCISJ-VIFPVBQESA-N -1 3 265.313 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C=CCC[C@@H](O)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167604 380196323 /nfs/dbraw/zinc/19/63/23/380196323.db2.gz DXOKHNGHULUFSO-LLVKDONJSA-N -1 3 293.338 2.209 20 30 CEEDHM Cc1cc(NC(=O)c2cccc(C)c2[O-])n(CCC#N)n1 ZINC000538745185 380246045 /nfs/dbraw/zinc/24/60/45/380246045.db2.gz XZYGYKQJCMGIBR-UHFFFAOYSA-N -1 3 284.319 2.372 20 30 CEEDHM CC[C@@H](C#N)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000495575533 381177488 /nfs/dbraw/zinc/17/74/88/381177488.db2.gz YSTXAHZGJPMEKO-VIFPVBQESA-N -1 3 278.264 2.029 20 30 CEEDHM Cc1cc(C#N)cc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)c1 ZINC000334835353 207158465 /nfs/dbraw/zinc/15/84/65/207158465.db2.gz GFZBSBLLHXRLHK-SNVBAGLBSA-N -1 3 297.236 2.244 20 30 CEEDHM COc1cc(C(=O)NCc2cccc(C#N)c2)ccc1[O-] ZINC000357602300 533541574 /nfs/dbraw/zinc/54/15/74/533541574.db2.gz HBMUPNLVUFLPRI-UHFFFAOYSA-N -1 3 282.299 2.202 20 30 CEEDHM CN(CCC#N)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000268198161 394691392 /nfs/dbraw/zinc/69/13/92/394691392.db2.gz FVDQNJGNVXCZHK-UHFFFAOYSA-N -1 3 258.321 2.257 20 30 CEEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000270159422 394727885 /nfs/dbraw/zinc/72/78/85/394727885.db2.gz YJSHCBRWKTZFGW-VIFPVBQESA-N -1 3 276.720 2.060 20 30 CEEDHM CC[C@H](C#N)NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271375668 394754602 /nfs/dbraw/zinc/75/46/02/394754602.db2.gz ZTYSQEKQXJSNRH-GFCCVEGCSA-N -1 3 258.321 2.303 20 30 CEEDHM N#CCOc1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC000271776332 394764638 /nfs/dbraw/zinc/76/46/38/394764638.db2.gz OLDQIKBVVRXLQA-UHFFFAOYSA-N -1 3 274.320 2.122 20 30 CEEDHM CCCN(CC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000122994907 394820497 /nfs/dbraw/zinc/82/04/97/394820497.db2.gz INUJJEQBLGTFIW-UHFFFAOYSA-N -1 3 296.330 2.405 20 30 CEEDHM CC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000126007615 394845130 /nfs/dbraw/zinc/84/51/30/394845130.db2.gz MYGZVRQUWPFTNA-SNVBAGLBSA-N -1 3 268.263 2.205 20 30 CEEDHM C[C@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000339412291 394958098 /nfs/dbraw/zinc/95/80/98/394958098.db2.gz LYCKSHWAUHUUTE-SECBINFHSA-N -1 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ZINC000273459273 263017160 /nfs/dbraw/zinc/01/71/60/263017160.db2.gz HKGRRQUNTCKRPY-SECBINFHSA-N -1 3 299.400 2.436 20 30 CEEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc(SC)n[n-]1 ZINC000273459273 263017161 /nfs/dbraw/zinc/01/71/61/263017161.db2.gz HKGRRQUNTCKRPY-SECBINFHSA-N -1 3 299.400 2.436 20 30 CEEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1n[n-]c(SC)n1 ZINC000273459273 263017162 /nfs/dbraw/zinc/01/71/62/263017162.db2.gz HKGRRQUNTCKRPY-SECBINFHSA-N -1 3 299.400 2.436 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CCCc2nccs2)c1[O-] ZINC000290682388 263118175 /nfs/dbraw/zinc/11/81/75/263118175.db2.gz ZURDLGVKZLUWKU-OVCLIPMQSA-N -1 3 291.376 2.096 20 30 CEEDHM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1=CCN(C)CC1 ZINC000331283926 264172036 /nfs/dbraw/zinc/17/20/36/264172036.db2.gz SEIWCEDORJIEDQ-LLVKDONJSA-N -1 3 285.347 2.219 20 30 CEEDHM CC(C)c1ccc(C(=O)N[C@H]2CCCN(C)C2=O)c([O-])c1 ZINC000331235032 264174431 /nfs/dbraw/zinc/17/44/31/264174431.db2.gz LGJNBIHROFBEIA-ZDUSSCGKSA-N -1 3 290.363 2.441 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCOC2)cc1[O-] ZINC000331236153 264174550 /nfs/dbraw/zinc/17/45/50/264174550.db2.gz MIGQHKQSNHQMFV-LLVKDONJSA-N -1 3 263.293 2.078 20 30 CEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000281204649 264477986 /nfs/dbraw/zinc/47/79/86/264477986.db2.gz CTVUXMILRQMSJQ-FZMZJTMJSA-N -1 3 261.321 2.103 20 30 CEEDHM Cc1oc(C#N)cc1C(=O)Nc1nc(C)ccc1[O-] ZINC000437177624 268103657 /nfs/dbraw/zinc/10/36/57/268103657.db2.gz AJEBXGAGWCFZPN-UHFFFAOYSA-N -1 3 257.249 2.121 20 30 CEEDHM N#Cc1cccc(NC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000255197954 280479861 /nfs/dbraw/zinc/47/98/61/280479861.db2.gz PCNPLVDORYIEIB-PLNGDYQASA-N -1 3 265.272 2.311 20 30 CEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000155966394 289186883 /nfs/dbraw/zinc/18/68/83/289186883.db2.gz JYLORRQQVKSICT-UHFFFAOYSA-N -1 3 290.319 2.176 20 30 CEEDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000549905413 313586949 /nfs/dbraw/zinc/58/69/49/313586949.db2.gz XKUWRWAESSGHKN-UHFFFAOYSA-N -1 3 294.710 2.145 20 30 CEEDHM CC1(C2([N-]S(=O)(=O)c3ccc(F)cc3C#N)CC2)CC1 ZINC000568357116 313945159 /nfs/dbraw/zinc/94/51/59/313945159.db2.gz ULOBYVDMFVILFZ-UHFFFAOYSA-N -1 3 294.351 2.308 20 30 CEEDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1 ZINC000290910968 328261029 /nfs/dbraw/zinc/26/10/29/328261029.db2.gz GUHUJWKAPGZLPU-ZDUSSCGKSA-N -1 3 282.340 2.105 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1F ZINC000290974090 328261379 /nfs/dbraw/zinc/26/13/79/328261379.db2.gz QKDQLHCTDAPRFQ-ZDUSSCGKSA-N -1 3 282.340 2.105 20 30 CEEDHM CC(C)[C@H](/N=C/c1c([O-])ccc2ccccc21)C(N)=O ZINC000107098982 327247756 /nfs/dbraw/zinc/24/77/56/327247756.db2.gz XQYCQQJUKOIAGN-UPAIAECRSA-N -1 3 270.332 2.474 20 30 CEEDHM CCC(C#N)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000528345744 330321180 /nfs/dbraw/zinc/32/11/80/330321180.db2.gz RRBVHWCAVMFFQL-UHFFFAOYSA-N -1 3 284.323 2.135 20 30 CEEDHM CCC(C#N)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000528345744 330321181 /nfs/dbraw/zinc/32/11/81/330321181.db2.gz RRBVHWCAVMFFQL-UHFFFAOYSA-N -1 3 284.323 2.135 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000119117479 330370407 /nfs/dbraw/zinc/37/04/07/330370407.db2.gz BLPPAXFZUSFAJD-JTQLQIEISA-N -1 3 258.325 2.433 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000119117479 330370408 /nfs/dbraw/zinc/37/04/08/330370408.db2.gz BLPPAXFZUSFAJD-JTQLQIEISA-N -1 3 258.325 2.433 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000119117479 330370409 /nfs/dbraw/zinc/37/04/09/330370409.db2.gz BLPPAXFZUSFAJD-JTQLQIEISA-N -1 3 258.325 2.433 20 30 CEEDHM C=CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154463893 330659125 /nfs/dbraw/zinc/65/91/25/330659125.db2.gz QFDIVFVCYJTFNS-UHFFFAOYSA-N -1 3 294.145 2.053 20 30 CEEDHM C=CC[C@H](CO)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436615034 330681622 /nfs/dbraw/zinc/68/16/22/330681622.db2.gz CNAHPAIHSRYZDM-LBPRGKRZSA-N -1 3 277.364 2.430 20 30 CEEDHM COc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)ccc1[O-] ZINC000442800912 330784673 /nfs/dbraw/zinc/78/46/73/330784673.db2.gz 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C=CCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC000823919393 608243430 /nfs/dbraw/zinc/24/34/30/608243430.db2.gz DWCCMDCOKFZDFX-UHFFFAOYSA-N -1 3 259.288 2.161 20 30 CEEDHM C=CCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC000823919393 608243432 /nfs/dbraw/zinc/24/34/32/608243432.db2.gz DWCCMDCOKFZDFX-UHFFFAOYSA-N -1 3 259.288 2.161 20 30 CEEDHM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C1CC1 ZINC000823903432 608261243 /nfs/dbraw/zinc/26/12/43/608261243.db2.gz AJXYQIUFTCSZGM-UHFFFAOYSA-N -1 3 298.350 2.357 20 30 CEEDHM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C1CC1 ZINC000823903432 608261245 /nfs/dbraw/zinc/26/12/45/608261245.db2.gz AJXYQIUFTCSZGM-UHFFFAOYSA-N -1 3 298.350 2.357 20 30 CEEDHM CC(C)CCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824244557 608538737 /nfs/dbraw/zinc/53/87/37/608538737.db2.gz SXKMKZNXXSWQJQ-UHFFFAOYSA-N -1 3 279.735 2.359 20 30 CEEDHM CC(C)CCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824244557 608538740 /nfs/dbraw/zinc/53/87/40/608538740.db2.gz SXKMKZNXXSWQJQ-UHFFFAOYSA-N -1 3 279.735 2.359 20 30 CEEDHM 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2.087 20 30 CEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000228903619 414846273 /nfs/dbraw/zinc/84/62/73/414846273.db2.gz MLMUMNYYBGFGDX-UHFFFAOYSA-N -1 3 282.752 2.209 20 30 CEEDHM C=CCN(Cc1ccc(C(=O)[O-])cc1)[C@H](C)COC ZINC000662218632 415693670 /nfs/dbraw/zinc/69/36/70/415693670.db2.gz ZVSBSHUTDBJMEJ-GFCCVEGCSA-N -1 3 263.337 2.408 20 30 CEEDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)o1 ZINC000335832633 226906737 /nfs/dbraw/zinc/90/67/37/226906737.db2.gz XBTKPWMNRWOTJI-MFKMUULPSA-N -1 3 282.365 2.339 20 30 CEEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)[C@@H]1CCCCO1 ZINC000329985325 228006921 /nfs/dbraw/zinc/00/69/21/228006921.db2.gz QZQJJYVDQVPUCE-CBAPKCEASA-N -1 3 256.327 2.111 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c1F ZINC000273169769 263013411 /nfs/dbraw/zinc/01/34/11/263013411.db2.gz KHFQUZHCJZAIHW-LLVKDONJSA-N -1 3 284.356 2.351 20 30 CEEDHM CCCOc1ccc(/C=N/[C@@H](C)c2ncnn2C)c([O-])c1 ZINC000276425360 263036697 /nfs/dbraw/zinc/03/66/97/263036697.db2.gz 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/nfs/dbraw/zinc/17/98/42/263179842.db2.gz PMTCNTVRMFROIC-QWRGUYRKSA-N -1 3 274.320 2.213 20 30 CEEDHM N#CCCCOc1cccnc1NC([O-])=NOCC1CC1 ZINC000296892096 263198011 /nfs/dbraw/zinc/19/80/11/263198011.db2.gz NUKGPSXMPYHEDE-UHFFFAOYSA-N -1 3 290.323 2.227 20 30 CEEDHM N#CCCCOc1cccnc1NC(=O)[N-]OCC1CC1 ZINC000296892096 263198013 /nfs/dbraw/zinc/19/80/13/263198013.db2.gz NUKGPSXMPYHEDE-UHFFFAOYSA-N -1 3 290.323 2.227 20 30 CEEDHM CC(C)(C)[C@@H](NC(=O)c1csc(=O)[n-]1)C(N)=O ZINC000330964178 264089446 /nfs/dbraw/zinc/08/94/46/264089446.db2.gz AHOCLFMXTBDEIW-LURJTMIESA-N -1 3 257.315 2.103 20 30 CEEDHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(N)=O ZINC000331247406 264179209 /nfs/dbraw/zinc/17/92/09/264179209.db2.gz VWOBSTLDMYLLHU-ZETCQYMHSA-N -1 3 278.308 2.334 20 30 CEEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CC[C@H](O)C2)cc1[O-] ZINC000331329632 264191093 /nfs/dbraw/zinc/19/10/93/264191093.db2.gz HBYJOJSALJUAMQ-PWSUYJOCSA-N -1 3 277.320 2.060 20 30 CEEDHM C=CCCN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O 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N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000573272708 314149940 /nfs/dbraw/zinc/14/99/40/314149940.db2.gz YKLBIUFBHSMOCD-PTEHBNRSSA-N -1 3 296.779 2.288 20 30 CEEDHM COCCN(Cc1ccc(C#N)cc1)Cc1ncccc1[O-] ZINC000576073823 314238579 /nfs/dbraw/zinc/23/85/79/314238579.db2.gz OGARLRIFPJYREL-UHFFFAOYSA-N -1 3 297.358 2.307 20 30 CEEDHM COc1cc(C)cc(C(=O)Nc2cc(CC#N)ccn2)c1[O-] ZINC000531674210 328022774 /nfs/dbraw/zinc/02/27/74/328022774.db2.gz UFPOPPVOXMXNTI-UHFFFAOYSA-N -1 3 297.314 2.423 20 30 CEEDHM CC(C)CON=C([O-])Nc1ncccc1OCCCC#N ZINC000276025318 328217105 /nfs/dbraw/zinc/21/71/05/328217105.db2.gz DBGXDMNJZBHDNH-UHFFFAOYSA-N -1 3 292.339 2.473 20 30 CEEDHM CC(C)CO[N-]C(=O)Nc1ncccc1OCCCC#N ZINC000276025318 328217106 /nfs/dbraw/zinc/21/71/06/328217106.db2.gz DBGXDMNJZBHDNH-UHFFFAOYSA-N -1 3 292.339 2.473 20 30 CEEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C#N)C(C)C ZINC000278677680 328229217 /nfs/dbraw/zinc/22/92/17/328229217.db2.gz GOBWYUOQYCCBII-SNVBAGLBSA-N -1 3 267.279 2.146 20 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3 298.364 2.456 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000452045604 331052022 /nfs/dbraw/zinc/05/20/22/331052022.db2.gz UEBSBUFIUPKEQA-UHFFFAOYSA-N -1 3 290.366 2.209 20 30 CEEDHM C#C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C ZINC000491536255 332231772 /nfs/dbraw/zinc/23/17/72/332231772.db2.gz IUZYMCQMPIVDON-CYBMUJFWSA-N -1 3 263.312 2.238 20 30 CEEDHM C#C[C@@H](C)N(C)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000491617190 332244076 /nfs/dbraw/zinc/24/40/76/332244076.db2.gz BXCAOFILEIBTCE-LLVKDONJSA-N -1 3 257.333 2.365 20 30 CEEDHM N#C[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccc(F)cc1 ZINC000492397903 332395647 /nfs/dbraw/zinc/39/56/47/332395647.db2.gz KSPMZUXTARSDOG-GESSGCQNSA-N -1 3 297.289 2.321 20 30 CEEDHM Cc1cccc(C(=O)N2CCC(CC#N)CC2)c1[O-] ZINC000336576135 335109171 /nfs/dbraw/zinc/10/91/71/335109171.db2.gz REEHOXGLAWOHNQ-UHFFFAOYSA-N -1 3 258.321 2.467 20 30 CEEDHM C#CCN(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000191036789 333214055 /nfs/dbraw/zinc/21/40/55/333214055.db2.gz HEGOGCBPFQKELX-UHFFFAOYSA-N -1 3 293.322 2.328 20 30 CEEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000233903904 333356042 /nfs/dbraw/zinc/35/60/42/333356042.db2.gz LLHLOHXCOKCAJK-QMMMGPOBSA-N -1 3 281.362 2.103 20 30 CEEDHM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1ccncn1 ZINC000546152966 334016642 /nfs/dbraw/zinc/01/66/42/334016642.db2.gz FIDNQMNXCFOPEG-LBPRGKRZSA-N -1 3 264.288 2.239 20 30 CEEDHM Cc1cc(C(C#N)=C([O-])c2ccnn2CC(C)C)nc(C)n1 ZINC000581369135 336062828 /nfs/dbraw/zinc/06/28/28/336062828.db2.gz GVXGHJFCLIOXDD-ZDUSSCGKSA-N -1 3 297.362 2.436 20 30 CEEDHM C=CCOCCNCc1cccc([O-])c1Br ZINC000315000883 500578798 /nfs/dbraw/zinc/57/87/98/500578798.db2.gz HYUNVXLBUSUMCD-UHFFFAOYSA-N -1 3 286.169 2.447 20 30 CEEDHM Cc1nnc([N-]C(=O)c2ncoc2C2CC2)n1C1CC1 ZINC000329187223 534868810 /nfs/dbraw/zinc/86/88/10/534868810.db2.gz QAHGMIHZDCFLDH-UHFFFAOYSA-N -1 3 273.296 2.423 20 30 CEEDHM Cc1ccc([O-])c(C=Nn2cnnc2-c2ccccc2)n1 ZINC000728779941 574469426 /nfs/dbraw/zinc/46/94/26/574469426.db2.gz RDNOIKCSHXJBJE-UHFFFAOYSA-N -1 3 279.303 2.236 20 30 CEEDHM Cc1ccc([O-])c(C=NNc2ccc([N+](=O)[O-])cc2)n1 ZINC000728776868 574469452 /nfs/dbraw/zinc/46/94/52/574469452.db2.gz CFJCWVOMYXQUFH-UHFFFAOYSA-N -1 3 272.264 2.450 20 30 CEEDHM Cc1ccc([O-])c(C=NNCc2cccc(F)c2)n1 ZINC000728781563 574469487 /nfs/dbraw/zinc/46/94/87/574469487.db2.gz XKKGIUUNRHJAIV-UHFFFAOYSA-N -1 3 259.284 2.358 20 30 CEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1-c1nnn[n-]1 ZINC000737716686 574513276 /nfs/dbraw/zinc/51/32/76/574513276.db2.gz UFMJYYAPUUVGLU-SNVBAGLBSA-N -1 3 294.318 2.033 20 30 CEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1-c1nn[n-]n1 ZINC000737716686 574513277 /nfs/dbraw/zinc/51/32/77/574513277.db2.gz UFMJYYAPUUVGLU-SNVBAGLBSA-N -1 3 294.318 2.033 20 30 CEEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737718432 574525225 /nfs/dbraw/zinc/52/52/25/574525225.db2.gz JFULQTYOJZVLEW-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737718432 574525227 /nfs/dbraw/zinc/52/52/27/574525227.db2.gz JFULQTYOJZVLEW-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM C#C[C@@H](CC)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000754354044 574579903 /nfs/dbraw/zinc/57/99/03/574579903.db2.gz GZXSSWXHYAPBDU-LBPRGKRZSA-N -1 3 257.333 2.413 20 30 CEEDHM C#Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)nc1 ZINC000731790050 574603090 /nfs/dbraw/zinc/60/30/90/574603090.db2.gz JOUFSEGGYVEOIR-UHFFFAOYSA-N -1 3 263.256 2.486 20 30 CEEDHM CC(=O)NCc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000733081294 574641772 /nfs/dbraw/zinc/64/17/72/574641772.db2.gz UGXXEAYESUAKRD-UHFFFAOYSA-N -1 3 284.315 2.485 20 30 CEEDHM C=C(C)CN(CC)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735397713 574756539 /nfs/dbraw/zinc/75/65/39/574756539.db2.gz CLGRVGBFEDNKBZ-UHFFFAOYSA-N -1 3 278.747 2.318 20 30 CEEDHM C=C(C)CN(CC)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735397713 574756541 /nfs/dbraw/zinc/75/65/41/574756541.db2.gz CLGRVGBFEDNKBZ-UHFFFAOYSA-N -1 3 278.747 2.318 20 30 CEEDHM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735409242 574757098 /nfs/dbraw/zinc/75/70/98/574757098.db2.gz WHCWWPAYLZGKSG-UHFFFAOYSA-N -1 3 289.364 2.322 20 30 CEEDHM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735409242 574757100 /nfs/dbraw/zinc/75/71/00/574757100.db2.gz WHCWWPAYLZGKSG-UHFFFAOYSA-N -1 3 289.364 2.322 20 30 CEEDHM C=CCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000735408880 574757235 /nfs/dbraw/zinc/75/72/35/574757235.db2.gz UGWKJGOGKNRIOO-UHFFFAOYSA-N -1 3 288.307 2.137 20 30 CEEDHM C=CCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000735408880 574757238 /nfs/dbraw/zinc/75/72/38/574757238.db2.gz UGWKJGOGKNRIOO-UHFFFAOYSA-N -1 3 288.307 2.137 20 30 CEEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735419523 574757504 /nfs/dbraw/zinc/75/75/04/574757504.db2.gz UHMRILXRGHBRPO-UHFFFAOYSA-N -1 3 297.284 2.417 20 30 CEEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735419523 574757506 /nfs/dbraw/zinc/75/75/06/574757506.db2.gz UHMRILXRGHBRPO-UHFFFAOYSA-N -1 3 297.284 2.417 20 30 CEEDHM CCC=C(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736407726 574786617 /nfs/dbraw/zinc/78/66/17/574786617.db2.gz AZLUWGDXLTTWHO-RUDMXATFSA-N -1 3 282.307 2.033 20 30 CEEDHM CCC=C(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736407726 574786618 /nfs/dbraw/zinc/78/66/18/574786618.db2.gz AZLUWGDXLTTWHO-RUDMXATFSA-N -1 3 282.307 2.033 20 30 CEEDHM CC/C=C(\C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736407726 574786619 /nfs/dbraw/zinc/78/66/19/574786619.db2.gz AZLUWGDXLTTWHO-RUDMXATFSA-N -1 3 282.307 2.033 20 30 CEEDHM Cc1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737473131 574835730 /nfs/dbraw/zinc/83/57/30/574835730.db2.gz FEODAJJRPXIYFT-UHFFFAOYSA-N -1 3 299.363 2.386 20 30 CEEDHM Cc1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737473131 574835731 /nfs/dbraw/zinc/83/57/31/574835731.db2.gz FEODAJJRPXIYFT-UHFFFAOYSA-N -1 3 299.363 2.386 20 30 CEEDHM Cc1ncccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737501042 574836856 /nfs/dbraw/zinc/83/68/56/574836856.db2.gz HKXRTWQLSRXOBF-HJWRWDBZSA-N -1 3 291.314 2.466 20 30 CEEDHM Cc1ncccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737501042 574836859 /nfs/dbraw/zinc/83/68/59/574836859.db2.gz HKXRTWQLSRXOBF-HJWRWDBZSA-N -1 3 291.314 2.466 20 30 CEEDHM C[C@](CNC(=O)[O-])(NCc1ccc(C#N)cc1)C1CC1 ZINC000738924765 574885884 /nfs/dbraw/zinc/88/58/84/574885884.db2.gz MCMVUGQRMKDCME-OAHLLOKOSA-N -1 3 273.336 2.084 20 30 CEEDHM COC(=O)[C@@H](C/N=C/c1ccc(O)c([O-])c1O)CC(C)C ZINC000741463680 574987847 /nfs/dbraw/zinc/98/78/47/574987847.db2.gz HKEGBTLPLHCDNY-PFJSLNBISA-N -1 3 295.335 2.058 20 30 CEEDHM COc1ccc2c(c1)C(=N[N-]c1[nH+]cnc3[n-]cnc31)CC2 ZINC000747633761 575172853 /nfs/dbraw/zinc/17/28/53/575172853.db2.gz VNNFQAPMGACYIM-UHFFFAOYSA-N -1 3 294.318 2.124 20 30 CEEDHM COC(=O)c1ccc(/C=C2/Cc3c(cccc3[O-])C2=O)[nH]1 ZINC000748439899 575186706 /nfs/dbraw/zinc/18/67/06/575186706.db2.gz DUDAIZXOMILWBE-CLFYSBASSA-N -1 3 283.283 2.329 20 30 CEEDHM COCCON=C1C[C@@H](C)c2c1c([O-])ccc2F ZINC000748791461 575196561 /nfs/dbraw/zinc/19/65/61/575196561.db2.gz UJWPMHSUDIGIJV-MRVPVSSYSA-N -1 3 253.273 2.406 20 30 CEEDHM 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Cc1ccnc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822374382 607465184 /nfs/dbraw/zinc/46/51/84/607465184.db2.gz UCGIXDJHCXEUFQ-UHFFFAOYSA-N -1 3 297.297 2.155 20 30 CEEDHM CN(C(=O)[O-])C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000737937649 602533705 /nfs/dbraw/zinc/53/37/05/602533705.db2.gz LYIOZDFSYXIBSF-UHFFFAOYSA-N -1 3 273.336 2.132 20 30 CEEDHM C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179345 602779393 /nfs/dbraw/zinc/77/93/93/602779393.db2.gz BFCROMMFRAJOHY-RISCZKNCSA-N -1 3 273.336 2.036 20 30 CEEDHM C[C@@H]1[C@@H](C)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833615511 604613944 /nfs/dbraw/zinc/61/39/44/604613944.db2.gz FRDPMCTUDZEOEP-WDEREUQCSA-N -1 3 258.321 2.487 20 30 CEEDHM C#CCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823845748 607712245 /nfs/dbraw/zinc/71/22/45/607712245.db2.gz WWFQMZFREOZPPV-UHFFFAOYSA-N -1 3 293.124 2.031 20 30 CEEDHM C#CCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823845748 607712246 /nfs/dbraw/zinc/71/22/46/607712246.db2.gz WWFQMZFREOZPPV-UHFFFAOYSA-N -1 3 293.124 2.031 20 30 CEEDHM CC1=C(C(=O)[O-])C[C@H](CN(C)Cc2cccc(C#N)c2)O1 ZINC000833578281 604823353 /nfs/dbraw/zinc/82/33/53/604823353.db2.gz UURKNEWNNWWROF-CQSZACIVSA-N -1 3 286.331 2.138 20 30 CEEDHM N#Cc1ccc(CNCC[C@H]2CCN(C(=O)[O-])C2)c(F)c1 ZINC000831126934 605516935 /nfs/dbraw/zinc/51/69/35/605516935.db2.gz WYTDEJQEMYQZRW-NSHDSACASA-N -1 3 291.326 2.177 20 30 CEEDHM C#CC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819692772 606135298 /nfs/dbraw/zinc/13/52/98/606135298.db2.gz KPHWDAMMSARSAQ-ZDUSSCGKSA-N -1 3 284.319 2.071 20 30 CEEDHM C#CC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819692772 606135300 /nfs/dbraw/zinc/13/53/00/606135300.db2.gz KPHWDAMMSARSAQ-ZDUSSCGKSA-N -1 3 284.319 2.071 20 30 CEEDHM C=C[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000819729468 606802145 /nfs/dbraw/zinc/80/21/45/606802145.db2.gz HASIRFDNSOMPBQ-LURJTMIESA-N -1 3 284.245 2.267 20 30 CEEDHM C=C[C@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000819729468 606802146 /nfs/dbraw/zinc/80/21/46/606802146.db2.gz HASIRFDNSOMPBQ-LURJTMIESA-N -1 3 284.245 2.267 20 30 CEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819729766 607201673 /nfs/dbraw/zinc/20/16/73/607201673.db2.gz MLLNQJHIURCXBU-SSDOTTSWSA-N -1 3 292.730 2.216 20 30 CEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819729766 607201674 /nfs/dbraw/zinc/20/16/74/607201674.db2.gz MLLNQJHIURCXBU-SSDOTTSWSA-N -1 3 292.730 2.216 20 30 CEEDHM N#CCCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822806774 607237581 /nfs/dbraw/zinc/23/75/81/607237581.db2.gz TVHRULPELAPKMC-UHFFFAOYSA-N -1 3 263.688 2.203 20 30 CEEDHM N#CCCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822806774 607237582 /nfs/dbraw/zinc/23/75/82/607237582.db2.gz TVHRULPELAPKMC-UHFFFAOYSA-N -1 3 263.688 2.203 20 30 CEEDHM Clc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000826352577 607889471 /nfs/dbraw/zinc/88/94/71/607889471.db2.gz GIGPGHPKAYJLAH-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM Clc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000826352577 607889472 /nfs/dbraw/zinc/88/94/72/607889472.db2.gz 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631032290 /nfs/dbraw/zinc/03/22/90/631032290.db2.gz PUSSASIPGOZXSI-UHFFFAOYSA-N -1 3 270.336 2.003 20 30 CEEDHM CC1CC(C#N)(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928705828 631128603 /nfs/dbraw/zinc/12/86/03/631128603.db2.gz NXRKNSZZNQYFSS-UHFFFAOYSA-N -1 3 262.284 2.087 20 30 CEEDHM CCN1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1=O ZINC000801646987 631303080 /nfs/dbraw/zinc/30/30/80/631303080.db2.gz ZGCPLFFGWLLYCW-UXYFDLPDSA-N -1 3 266.728 2.085 20 30 CEEDHM C[C@@H](C#N)OCCO[N-]C(=O)Cc1cccc2ccccc21 ZINC000802730035 631449198 /nfs/dbraw/zinc/44/91/98/631449198.db2.gz RSDNGLMVNMYVQG-ZDUSSCGKSA-N -1 3 298.342 2.359 20 30 CEEDHM CC(C)OCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186117 632354301 /nfs/dbraw/zinc/35/43/01/632354301.db2.gz CVMTZFDFBMLKJM-UHFFFAOYSA-N -1 3 263.293 2.236 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2Cc3ccccc3C2=O)c1 ZINC000811186873 632354881 /nfs/dbraw/zinc/35/48/81/632354881.db2.gz BPUSVTJWZNGHMX-OAHLLOKOSA-N -1 3 293.278 2.228 20 30 CEEDHM CCOc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)nc1 ZINC000811188805 632354901 /nfs/dbraw/zinc/35/49/01/632354901.db2.gz YHSRGEUSWGOUAD-UHFFFAOYSA-N -1 3 298.298 2.415 20 30 CEEDHM CCc1noc([C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811187160 632355157 /nfs/dbraw/zinc/35/51/57/632355157.db2.gz AFYSRFKMTKSZHN-QMMMGPOBSA-N -1 3 287.275 2.127 20 30 CEEDHM CC(C)(C)c1ccc2[nH]cc(C=NN3CC(=O)[N-]C3=O)c2c1 ZINC000811635902 632410685 /nfs/dbraw/zinc/41/06/85/632410685.db2.gz QAZUBFILYNNAOF-UHFFFAOYSA-N -1 3 298.346 2.351 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000899226299 632742568 /nfs/dbraw/zinc/74/25/68/632742568.db2.gz PLABYTJNRQZGQE-VBVVTDNFSA-N -1 3 281.739 2.268 20 30 CEEDHM COC(=O)c1cc(C(=O)OCC2(C#N)CCCCC2)c[n-]1 ZINC000816008879 633100333 /nfs/dbraw/zinc/10/03/33/633100333.db2.gz IJAAGPFSOJWCQK-UHFFFAOYSA-N -1 3 290.319 2.432 20 30 CEEDHM CCCCCC(C)(C)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816753918 633472087 /nfs/dbraw/zinc/47/20/87/633472087.db2.gz RXLSRAICHAPUJT-LLVKDONJSA-N -1 3 270.373 2.089 20 30 CEEDHM 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289.310 2.003 20 30 CEEDHM O=C(C1=CCCCO1)N([O-])Cc1ccc(F)cc1 ZINC000904174497 635494316 /nfs/dbraw/zinc/49/43/16/635494316.db2.gz CVGVZKWEBHQZCV-UHFFFAOYSA-N -1 3 251.257 2.238 20 30 CEEDHM COC(=O)C[C@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178007 635496364 /nfs/dbraw/zinc/49/63/64/635496364.db2.gz WIMIQSWCDARGJC-SNVBAGLBSA-N -1 3 283.299 2.133 20 30 CEEDHM C[C@H]1OCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904191212 635504205 /nfs/dbraw/zinc/50/42/05/635504205.db2.gz WBNGDIYMTAEACN-KOLCDFICSA-N -1 3 269.728 2.483 20 30 CEEDHM CCCCCCN([O-])C(=O)C(C)(C)S(=O)(=O)C1CC1 ZINC000904203968 635511517 /nfs/dbraw/zinc/51/15/17/635511517.db2.gz BCHMOTICAABRGT-UHFFFAOYSA-N -1 3 291.413 2.140 20 30 CEEDHM CCCCCCN([O-])C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000904205067 635512514 /nfs/dbraw/zinc/51/25/14/635512514.db2.gz ZGNZYJCZXIGURP-CQSZACIVSA-N -1 3 270.373 2.233 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000904215940 635514836 /nfs/dbraw/zinc/51/48/36/635514836.db2.gz RCHYLVZYNUQSTG-CQSZACIVSA-N -1 3 290.363 2.167 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CC[C@@H]2CC[C@@H]3C[C@@H]32)c1[O-] ZINC000905003583 635773966 /nfs/dbraw/zinc/77/39/66/635773966.db2.gz YJMURNOUMFIOQW-MCAFJMKESA-N -1 3 274.364 2.443 20 30 CEEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccncc1 ZINC000826401141 635774176 /nfs/dbraw/zinc/77/41/76/635774176.db2.gz QLBQLXNMYPLHRA-RQOWECAXSA-N -1 3 295.277 2.297 20 30 CEEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccncc1 ZINC000826401141 635774180 /nfs/dbraw/zinc/77/41/80/635774180.db2.gz QLBQLXNMYPLHRA-RQOWECAXSA-N -1 3 295.277 2.297 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-]Cc1nn(C)cc1C(F)F ZINC000826754650 635837646 /nfs/dbraw/zinc/83/76/46/635837646.db2.gz LRVGANJLYVWGEZ-UHFFFAOYSA-N -1 3 279.237 2.185 20 30 CEEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OCC(F)(F)F ZINC000907046698 636926721 /nfs/dbraw/zinc/92/67/21/636926721.db2.gz FTAOLNDWPUEGCS-UHFFFAOYSA-N -1 3 286.253 2.328 20 30 CEEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OCCOC(C)C)cc1 ZINC000908326773 637309559 /nfs/dbraw/zinc/30/95/59/637309559.db2.gz DRSZLQMAIPDSFL-CMDGGOBGSA-N -1 3 291.347 2.207 20 30 CEEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cccc(O)c1[O-] ZINC000126133617 650417090 /nfs/dbraw/zinc/41/70/90/650417090.db2.gz UQZIGBRKUQOCFG-UHFFFAOYSA-N -1 3 282.299 2.242 20 30 CEEDHM C=CCO[N-]C(=O)CCCc1ccc(OC)cc1OC ZINC000837045967 639028840 /nfs/dbraw/zinc/02/88/40/639028840.db2.gz DHFIMPARVRVIFN-UHFFFAOYSA-N -1 3 279.336 2.260 20 30 CEEDHM COC[C@@](C)(O)CC/N=C\c1cc(Cl)ccc1[O-] ZINC000840707780 639526528 /nfs/dbraw/zinc/52/65/28/639526528.db2.gz SAHWEPIPYSQIAT-PBTLCFMXSA-N -1 3 271.744 2.252 20 30 CEEDHM C=CCC(C)(C)CNC=C1c2ccccc2C(=O)[N-]C1=O ZINC000840725272 639530892 /nfs/dbraw/zinc/53/08/92/639530892.db2.gz METYZGXLPMWNRM-UVTDQMKNSA-N -1 3 284.359 2.489 20 30 CEEDHM Cc1cc(F)cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000174011521 639891828 /nfs/dbraw/zinc/89/18/28/639891828.db2.gz QERGVZIKUNELPZ-CYBMUJFWSA-N -1 3 297.289 2.490 20 30 CEEDHM C[C@@H](CN1CCOCC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000915980179 640713769 /nfs/dbraw/zinc/71/37/69/640713769.db2.gz YGRACCZGTWYQHP-RCEBRVLHSA-N -1 3 282.771 2.185 20 30 CEEDHM CC(C)(C)OC(=O)CCNN=Cc1ccc([O-])cc1F ZINC000844590575 640776771 /nfs/dbraw/zinc/77/67/71/640776771.db2.gz RLNSBGWOPLFKJF-UHFFFAOYSA-N -1 3 282.315 2.187 20 30 CEEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c(C)o1 ZINC000126421747 650636242 /nfs/dbraw/zinc/63/62/42/650636242.db2.gz REYOIJYYSGODIC-LBPRGKRZSA-N -1 3 283.287 2.253 20 30 CEEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000233357811 641317983 /nfs/dbraw/zinc/31/79/83/641317983.db2.gz BJASYUMCXFMBGA-MRVPVSSYSA-N -1 3 277.798 2.482 20 30 CEEDHM C=C(C)CO[N-]C(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000846533749 641325093 /nfs/dbraw/zinc/32/50/93/641325093.db2.gz MKXBOCKNXATPOK-GFCCVEGCSA-N -1 3 273.336 2.296 20 30 CEEDHM C=C(C)CO[N-]C(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000846533286 641325455 /nfs/dbraw/zinc/32/54/55/641325455.db2.gz GEFGELBPFAMULV-LBPRGKRZSA-N -1 3 278.327 2.276 20 30 CEEDHM C=C(C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000846538939 641329442 /nfs/dbraw/zinc/32/94/42/641329442.db2.gz MMNNSSVJJUCDDJ-UHFFFAOYSA-N -1 3 284.699 2.415 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000846547440 641337302 /nfs/dbraw/zinc/33/73/02/641337302.db2.gz AMHHYOZLQKODRW-HIFRSBDPSA-N -1 3 274.364 2.273 20 30 CEEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000847415287 641659136 /nfs/dbraw/zinc/65/91/36/641659136.db2.gz ZMKCBLXROWLJHL-WFASDCNBSA-N -1 3 288.347 2.311 20 30 CEEDHM C#CCOCCC(=O)Nc1c([O-])cccc1Cl ZINC000848140220 641903800 /nfs/dbraw/zinc/90/38/00/641903800.db2.gz NCVUIPBBUYBEGC-UHFFFAOYSA-N -1 3 253.685 2.024 20 30 CEEDHM C[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CN1C1CC1 ZINC000848415897 641984171 /nfs/dbraw/zinc/98/41/71/641984171.db2.gz ROZQTRCURHAJTC-LLVKDONJSA-N -1 3 287.363 2.338 20 30 CEEDHM Cc1ncc(CO)c(/C=N\C[C@@H](C)c2ccccn2)c1[O-] ZINC000849169700 642277423 /nfs/dbraw/zinc/27/74/23/642277423.db2.gz HMMQLDFPSUBCJZ-JWHLFPLYSA-N -1 3 285.347 2.206 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cscn2)c1[O-] ZINC000849170922 642277865 /nfs/dbraw/zinc/27/78/65/642277865.db2.gz WVKAIOQEGOAWAQ-VALPKPDBSA-N -1 3 277.349 2.225 20 30 CEEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cscn2)c1[O-] ZINC000849170921 642278054 /nfs/dbraw/zinc/27/80/54/642278054.db2.gz WVKAIOQEGOAWAQ-RNXHRXLVSA-N -1 3 277.349 2.225 20 30 CEEDHM COc1cc(C(=O)/C=C/c2cc3n(n2)CCC3)ccc1[O-] ZINC000849242591 642293754 /nfs/dbraw/zinc/29/37/54/642293754.db2.gz IOFZALNMEXTPEE-FNORWQNLSA-N -1 3 284.315 2.440 20 30 CEEDHM N#CCC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922303101 643014846 /nfs/dbraw/zinc/01/48/46/643014846.db2.gz HFUCDBIISJJWHK-UHFFFAOYSA-N -1 3 277.299 2.024 20 30 CEEDHM COCCN(C)N=Cc1ccc(Br)cc1[O-] ZINC000853343907 643750024 /nfs/dbraw/zinc/75/00/24/643750024.db2.gz XGRXCOALRBAZOB-UHFFFAOYSA-N -1 3 287.157 2.067 20 30 CEEDHM Cc1nnc(N=NC(C)c2ccc(Cl)cc2[O-])n1C ZINC000853430917 643767469 /nfs/dbraw/zinc/76/74/69/643767469.db2.gz MAEDMAUMYUFTDP-UHFFFAOYSA-N -1 3 279.731 2.319 20 30 CEEDHM C=C(C)CO[N-]C(=O)CCc1cccnc1Cl ZINC000855026601 644234058 /nfs/dbraw/zinc/23/40/58/644234058.db2.gz KBZAXUVKWGSCHP-UHFFFAOYSA-N -1 3 254.717 2.292 20 30 CEEDHM C=CCCOC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754266234 644348909 /nfs/dbraw/zinc/34/89/09/644348909.db2.gz DEOSPCKJTSLJIM-UHFFFAOYSA-N -1 3 252.266 2.142 20 30 CEEDHM [O-]c1ccc(CN=Nc2nc(-c3ccncc3)no2)cc1F ZINC000755678021 644543684 /nfs/dbraw/zinc/54/36/84/644543684.db2.gz CQMWSOFSAWDTHV-UHFFFAOYSA-N -1 3 299.265 2.422 20 30 CEEDHM [O-]c1ccc(Cl)cc1C=NNC1CCOCC1 ZINC000757593143 644823539 /nfs/dbraw/zinc/82/35/39/644823539.db2.gz PJMXCNYEWXEODB-UHFFFAOYSA-N -1 3 254.717 2.148 20 30 CEEDHM C=C(C)CCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759397644 645021030 /nfs/dbraw/zinc/02/10/30/645021030.db2.gz XYGDNPCUQSUIDE-UHFFFAOYSA-N -1 3 283.349 2.181 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc[nH]2)c1[O-] ZINC000760229050 645123975 /nfs/dbraw/zinc/12/39/75/645123975.db2.gz NRPPNAWZTCIWLP-PRILJTSFSA-N -1 3 259.309 2.096 20 30 CEEDHM N#CC(=C([O-])c1ccnc(Cl)c1)c1ccncn1 ZINC000760351126 645145070 /nfs/dbraw/zinc/14/50/70/645145070.db2.gz CNJLPGIVQJRBHG-VIFPVBQESA-N -1 3 258.668 2.015 20 30 CEEDHM C#Cc1ccc(C(=O)Nc2cccc([O-])c2F)cn1 ZINC000762316917 645399391 /nfs/dbraw/zinc/39/93/91/645399391.db2.gz IOZYYJSUHICJCO-UHFFFAOYSA-N -1 3 256.236 2.160 20 30 CEEDHM CCCc1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878142198 651012602 /nfs/dbraw/zinc/01/26/02/651012602.db2.gz VKMONQWVCVPKAA-ZDUSSCGKSA-N -1 3 291.351 2.141 20 30 CEEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccsc1 ZINC000770872170 646447472 /nfs/dbraw/zinc/44/74/72/646447472.db2.gz VPIQYOITLLDJGU-QUCGXOGASA-N -1 3 285.328 2.087 20 30 CEEDHM CCCCOc1ccccc1C=NN=c1cc[n-]n1C ZINC000774409798 646842410 /nfs/dbraw/zinc/84/24/10/646842410.db2.gz KCPQITOQTZCAHZ-UHFFFAOYSA-N -1 3 272.352 2.467 20 30 CEEDHM Cn1[n-]ccc1=NN=C(CC1CCCCC1)c1ncccn1 ZINC000774414271 646844252 /nfs/dbraw/zinc/84/42/52/646844252.db2.gz FQSWSYLYTQGILK-UHFFFAOYSA-N -1 3 298.394 2.419 20 30 CEEDHM C#C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCO1 ZINC000775572219 646967331 /nfs/dbraw/zinc/96/73/31/646967331.db2.gz PRFJTJPACOIPHS-VZJVUDMVSA-N -1 3 290.319 2.132 20 30 CEEDHM CCn1nncc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000864345134 646973596 /nfs/dbraw/zinc/97/35/96/646973596.db2.gz PKEPDCAJZFTSMK-MKMNVTDBSA-N -1 3 264.716 2.276 20 30 CEEDHM CCC(F)(F)C/N=C\c1c([O-])c(C)ncc1CO ZINC000864346251 646974361 /nfs/dbraw/zinc/97/43/61/646974361.db2.gz RIDKBRIHNKRVFE-WCSRMQSCSA-N -1 3 258.268 2.052 20 30 CEEDHM COC(=O)[C@@H]1OCC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000864347457 646975419 /nfs/dbraw/zinc/97/54/19/646975419.db2.gz QWGFEEBQTOWEQZ-VUVBFMMCSA-N -1 3 297.738 2.043 20 30 CEEDHM O=c1nc(C=N[O-])ccn1[C@H]1CCCc2ccc(F)cc21 ZINC000775680994 646980165 /nfs/dbraw/zinc/98/01/65/646980165.db2.gz LWCFLPOLUSWNOS-AWEZNQCLSA-N -1 3 287.294 2.116 20 30 CEEDHM N#C[C@@H](OC(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000776384288 647056337 /nfs/dbraw/zinc/05/63/37/647056337.db2.gz GVPNKJSFOWUZES-CYBMUJFWSA-N -1 3 260.293 2.416 20 30 CEEDHM CCCn1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)nn1 ZINC000865216014 647205819 /nfs/dbraw/zinc/20/58/19/647205819.db2.gz BXBSIDCQYOIVNS-FNORWQNLSA-N -1 3 287.319 2.298 20 30 CEEDHM CC(=NNCCOC(C)C)c1ccc([O-])cc1F ZINC000778554384 647242387 /nfs/dbraw/zinc/24/23/87/647242387.db2.gz PHWZIKIGFINVJI-UHFFFAOYSA-N -1 3 254.305 2.270 20 30 CEEDHM CC(C)(C)OC(=O)CCNN=Cc1ccc([O-])c(F)c1 ZINC000783868520 647772730 /nfs/dbraw/zinc/77/27/30/647772730.db2.gz GDJILEJUGQWAHG-UHFFFAOYSA-N -1 3 282.315 2.187 20 30 CEEDHM COc1ccc2c(c1)C(C)(C)CC2=NN=c1cc[n-]n1C ZINC000788722783 648218427 /nfs/dbraw/zinc/21/84/27/648218427.db2.gz FEIUHPWJGICQNS-UHFFFAOYSA-N -1 3 284.363 2.348 20 30 CEEDHM C#C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)[C@@H]1CCCO1 ZINC000792332758 648639801 /nfs/dbraw/zinc/63/98/01/648639801.db2.gz NDLSTBFQFIKEAG-RDJZCZTQSA-N -1 3 295.338 2.456 20 30 CEEDHM Cc1nc(C#N)c(N=NCc2c(F)ccc([O-])c2F)o1 ZINC000794496564 648872179 /nfs/dbraw/zinc/87/21/79/648872179.db2.gz YKYKPJMPIADKLK-UHFFFAOYSA-N -1 3 278.218 2.285 20 30 CEEDHM C[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000870689762 648879272 /nfs/dbraw/zinc/87/92/72/648879272.db2.gz BDBLVGATXDMSOF-FZMZJTMJSA-N -1 3 274.320 2.173 20 30 CEEDHM CC(F)(F)CCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692618 648882733 /nfs/dbraw/zinc/88/27/33/648882733.db2.gz IGSMUESUIPIYNT-UHFFFAOYSA-N -1 3 254.236 2.404 20 30 CEEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@H]1F ZINC000872353454 649363462 /nfs/dbraw/zinc/36/34/62/649363462.db2.gz IOMLPRXRAXJWCX-GFCCVEGCSA-N -1 3 284.356 2.027 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)OC[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000873380010 649658983 /nfs/dbraw/zinc/65/89/83/649658983.db2.gz KWJWXEZLTVWECP-BYCMXARLSA-N -1 3 287.315 2.378 20 30 CEEDHM O=C(Nc1cccc(C(F)F)c1)N[C@H]1CCCN([O-])C1=O ZINC000878541498 651124687 /nfs/dbraw/zinc/12/46/87/651124687.db2.gz QAGURTHBTGHWLX-JTQLQIEISA-N -1 3 299.277 2.126 20 30 CEEDHM Cc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1Cl ZINC000878853778 651198533 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ZINC001210116185 802634533 /nfs/dbraw/zinc/63/45/33/802634533.db2.gz IVOVKRKZJJXAII-UHFFFAOYSA-N -1 3 256.221 2.011 20 30 CEEDHM CC(=O)c1ccc(C(=O)NOc2cccc(C#N)c2)cc1[O-] ZINC001171255398 814231943 /nfs/dbraw/zinc/23/19/43/814231943.db2.gz JQICUFPVUBEEKG-UHFFFAOYSA-N -1 3 296.282 2.190 20 30 CEEDHM CC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC001127779417 808442201 /nfs/dbraw/zinc/44/22/01/808442201.db2.gz YWTXMBDFCAOSRV-SNVBAGLBSA-N -1 3 295.289 2.155 20 30 CEEDHM C=CCCO[N-]C(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001168626488 808780109 /nfs/dbraw/zinc/78/01/09/808780109.db2.gz BXRBZZILQXJFKC-UHFFFAOYSA-N -1 3 271.320 2.039 20 30 CEEDHM N#Cc1cnc2ccnn2c1Nc1cc(F)cc(F)c1[O-] ZINC001212479596 809022313 /nfs/dbraw/zinc/02/23/13/809022313.db2.gz HPMJJCDQHFRNSK-UHFFFAOYSA-N -1 3 287.229 2.328 20 30 CEEDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(CC#N)cc1)C2 ZINC000826738077 810733183 /nfs/dbraw/zinc/73/31/83/810733183.db2.gz OSDRPAKSBWNXSN-UHFFFAOYSA-N -1 3 280.331 2.073 20 30 CEEDHM 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ZJHFDCCDZTWXQB-GFCCVEGCSA-N -1 3 280.349 2.055 20 30 CEEDHM Cc1cccc(F)c1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000332220933 534741062 /nfs/dbraw/zinc/74/10/62/534741062.db2.gz XWZMQJIOVRSKKG-UHFFFAOYSA-N -1 3 282.340 2.106 20 30 CEEDHM CC(C)[C@@H]1C[C@@H](NC(=O)c2csc(=O)[n-]2)CCO1 ZINC000329981231 528755801 /nfs/dbraw/zinc/75/58/01/528755801.db2.gz MWAQZXFSJWSQJQ-WPRPVWTQSA-N -1 3 270.354 2.357 20 30 CEEDHM CCOc1ccc(/C=N/CCSCC(=O)OC)c([O-])c1 ZINC000729819225 574493588 /nfs/dbraw/zinc/49/35/88/574493588.db2.gz GNVDLERCIJQGGB-OQLLNIDSSA-N -1 3 297.376 2.116 20 30 CEEDHM C=CCN1CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000730035893 574498599 /nfs/dbraw/zinc/49/85/99/574498599.db2.gz SWHQVYWYZYPHIG-UHFFFAOYSA-N -1 3 294.782 2.426 20 30 CEEDHM CC(=N[N-]S(C)(=O)=O)[C@H](C)c1nc2ccccc2s1 ZINC000764701594 574601785 /nfs/dbraw/zinc/60/17/85/574601785.db2.gz ZLUWUGHLYDABNR-QMMMGPOBSA-N -1 3 297.405 2.325 20 30 CEEDHM COc1ccc2oc(C(C)=N[N-]S(C)(=O)=O)c(C)c2c1 ZINC000764702506 574601601 /nfs/dbraw/zinc/60/16/01/574601601.db2.gz YGDPAVYFASWRCW-UHFFFAOYSA-N -1 3 296.348 2.023 20 30 CEEDHM COc1cccc([O-])c1/C=N/C[C@H](OC)C(F)(F)F ZINC000733205141 574657536 /nfs/dbraw/zinc/65/75/36/574657536.db2.gz LMEPYZGCTSEHEX-MTTUFYGSSA-N -1 3 277.242 2.397 20 30 CEEDHM O=C1Cc2cc(N=Cc3cccc([O-])c3O)ccc2N1 ZINC000733749984 574686473 /nfs/dbraw/zinc/68/64/73/574686473.db2.gz HQOGTBMTUATGCX-UHFFFAOYSA-N -1 3 268.272 2.343 20 30 CEEDHM C=CC[C@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735409678 574757440 /nfs/dbraw/zinc/75/74/40/574757440.db2.gz IMTOYKAWBNHIPR-VIFPVBQESA-N -1 3 288.380 2.118 20 30 CEEDHM C=CC[C@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735409678 574757441 /nfs/dbraw/zinc/75/74/41/574757441.db2.gz IMTOYKAWBNHIPR-VIFPVBQESA-N -1 3 288.380 2.118 20 30 CEEDHM CC(C)c1ccc2c(c1)C(=N[N-]c1cccnn1)C(=O)N2 ZINC000735976156 574772875 /nfs/dbraw/zinc/77/28/75/574772875.db2.gz JXLIZTAULIVLTC-UHFFFAOYSA-N -1 3 281.319 2.368 20 30 CEEDHM C[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736265042 574780645 /nfs/dbraw/zinc/78/06/45/574780645.db2.gz YPAAJEOGTTZZER-SECBINFHSA-N -1 3 256.313 2.455 20 30 CEEDHM C[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736265042 574780646 /nfs/dbraw/zinc/78/06/46/574780646.db2.gz YPAAJEOGTTZZER-SECBINFHSA-N -1 3 256.313 2.455 20 30 CEEDHM CC(C)(C)OCCN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736287224 574781076 /nfs/dbraw/zinc/78/10/76/574781076.db2.gz ZSLSNJHPCXJSOC-ZDUSSCGKSA-N -1 3 276.336 2.089 20 30 CEEDHM C=CCOc1ccccc1CN[C@H]1CCCN(C(=O)[O-])C1 ZINC000738506053 574866702 /nfs/dbraw/zinc/86/67/02/574866702.db2.gz XENLEABNJNATDA-AWEZNQCLSA-N -1 3 290.363 2.483 20 30 CEEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739055977 574891488 /nfs/dbraw/zinc/89/14/88/574891488.db2.gz ZIAGXQJWCVARQG-AAEUAGOBSA-N -1 3 273.336 2.209 20 30 CEEDHM N#CC(C(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2ccccc2n1 ZINC000739072847 574892609 /nfs/dbraw/zinc/89/26/09/574892609.db2.gz AHYNNDWVNJWMID-SRVKXCTJSA-N -1 3 280.283 2.132 20 30 CEEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)c1ccc(C)o1 ZINC000741165139 574977854 /nfs/dbraw/zinc/97/78/54/574977854.db2.gz HAWHHTZTIYPYCH-KHAFMBKQSA-N -1 3 275.304 2.455 20 30 CEEDHM Cn1cc(N2CCC[C@@H](/N=C\c3ccccc3[O-])C2)cn1 ZINC000741464039 574987769 /nfs/dbraw/zinc/98/77/69/574987769.db2.gz KDVMPAPVPYDTPA-KDVQLTRESA-N -1 3 284.363 2.214 20 30 CEEDHM CN1C(=O)COc2ccc(N=Cc3cccc([O-])c3O)cc21 ZINC000743503617 575105544 /nfs/dbraw/zinc/10/55/44/575105544.db2.gz ZSWJDNVNBKBGIM-UHFFFAOYSA-N -1 3 298.298 2.204 20 30 CEEDHM Cc1ncc(CO)c(/C=N\Cc2cccs2)c1[O-] ZINC000747712824 575173965 /nfs/dbraw/zinc/17/39/65/575173965.db2.gz GLROHTBFVGNAEZ-AUWJEWJLSA-N -1 3 262.334 2.269 20 30 CEEDHM Cc1ncc(CO)c(C=Nc2cccc(C#N)c2)c1[O-] ZINC000747708510 575174008 /nfs/dbraw/zinc/17/40/08/575174008.db2.gz ZUXOTDZYEJYEHV-UHFFFAOYSA-N -1 3 267.288 2.210 20 30 CEEDHM N#Cc1ccc(C(=O)COC(=O)c2ccc(F)cc2[O-])cc1 ZINC000750160145 575251408 /nfs/dbraw/zinc/25/14/08/575251408.db2.gz UIJWUQWVDWHKKW-UHFFFAOYSA-N -1 3 299.257 2.443 20 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CEEDHM N#Cc1ccccc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737727599 598548065 /nfs/dbraw/zinc/54/80/65/598548065.db2.gz OWILOAMSAZQQRB-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1ccccc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737727599 598548067 /nfs/dbraw/zinc/54/80/67/598548067.db2.gz OWILOAMSAZQQRB-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM C[C@H](Nc1cccc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820461315 599354886 /nfs/dbraw/zinc/35/48/86/599354886.db2.gz HDOQIAJWYDLJFC-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1cccc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820461315 599354889 /nfs/dbraw/zinc/35/48/89/599354889.db2.gz HDOQIAJWYDLJFC-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@@](NCc1ccc(F)cc1C#N)(C(=O)[O-])C1CC1 ZINC000827741048 601171979 /nfs/dbraw/zinc/17/19/79/601171979.db2.gz HCMIMSBDEBPGDG-AWEZNQCLSA-N -1 3 262.284 2.040 20 30 CEEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)C(C)C ZINC000823903541 607683975 /nfs/dbraw/zinc/68/39/75/607683975.db2.gz CLLKVNRYKPWMKE-UHFFFAOYSA-N -1 3 285.351 2.212 20 30 CEEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)C(C)C ZINC000823903541 607683976 /nfs/dbraw/zinc/68/39/76/607683976.db2.gz CLLKVNRYKPWMKE-UHFFFAOYSA-N -1 3 285.351 2.212 20 30 CEEDHM C[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])CN1C1CC1 ZINC000753956337 605097351 /nfs/dbraw/zinc/09/73/51/605097351.db2.gz RVLBDKMPIQSJKQ-SNVBAGLBSA-N -1 3 273.336 2.409 20 30 CEEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000827514460 605261948 /nfs/dbraw/zinc/26/19/48/605261948.db2.gz OTBVXTPVNDFZDM-BDAKNGLRSA-N -1 3 295.364 2.489 20 30 CEEDHM CCN(CCCNCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000827129197 605514777 /nfs/dbraw/zinc/51/47/77/605514777.db2.gz DRTFGIFNVWDKOK-UHFFFAOYSA-N -1 3 279.315 2.177 20 30 CEEDHM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(C#N)s1 ZINC000833834333 605684061 /nfs/dbraw/zinc/68/40/61/605684061.db2.gz NIJSBMGXXKCGPO-VHSXEESVSA-N -1 3 279.365 2.098 20 30 CEEDHM O=C([O-])N1CCC[C@H](C=Nn2cnnc2-c2ccccc2)C1 ZINC000834099451 606049834 /nfs/dbraw/zinc/04/98/34/606049834.db2.gz OUWSJIAXFUXALB-GFCCVEGCSA-N -1 3 299.334 2.169 20 30 CEEDHM C#CC[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819693798 606135330 /nfs/dbraw/zinc/13/53/30/606135330.db2.gz WOSVGPXIQGWHDD-CQSZACIVSA-N -1 3 298.346 2.000 20 30 CEEDHM C#CC[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819693798 606135331 /nfs/dbraw/zinc/13/53/31/606135331.db2.gz WOSVGPXIQGWHDD-CQSZACIVSA-N -1 3 298.346 2.000 20 30 CEEDHM C#CCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000819702321 606638567 /nfs/dbraw/zinc/63/85/67/606638567.db2.gz YLKJWDILYWFOHH-UHFFFAOYSA-N -1 3 292.302 2.099 20 30 CEEDHM C=C(C)COCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000819722334 606791157 /nfs/dbraw/zinc/79/11/57/606791157.db2.gz GZJYXMXYTBYMKV-UHFFFAOYSA-N -1 3 277.303 2.010 20 30 CEEDHM C=C(C)COCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000819722334 606791159 /nfs/dbraw/zinc/79/11/59/606791159.db2.gz GZJYXMXYTBYMKV-UHFFFAOYSA-N -1 3 277.303 2.010 20 30 CEEDHM N#Cc1cccc(Sc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822836986 606944846 /nfs/dbraw/zinc/94/48/46/606944846.db2.gz CZSKXZVJCOFKMF-UHFFFAOYSA-N -1 3 280.316 2.285 20 30 CEEDHM N#Cc1cccc(Sc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822836986 606944847 /nfs/dbraw/zinc/94/48/47/606944847.db2.gz CZSKXZVJCOFKMF-UHFFFAOYSA-N -1 3 280.316 2.285 20 30 CEEDHM N#Cc1cccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822836946 607005299 /nfs/dbraw/zinc/00/52/99/607005299.db2.gz BJTXFYFGNDSQGC-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1cccc(OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822836946 607005301 /nfs/dbraw/zinc/00/53/01/607005301.db2.gz BJTXFYFGNDSQGC-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM Clc1cccnc1N=NCc1ccccc1-c1nnn[n-]1 ZINC000826353832 607887181 /nfs/dbraw/zinc/88/71/81/607887181.db2.gz FSGHZBBVCDUDBV-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM Clc1cccnc1N=NCc1ccccc1-c1nn[n-]n1 ZINC000826353832 607887182 /nfs/dbraw/zinc/88/71/82/607887182.db2.gz FSGHZBBVCDUDBV-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM CCN(C[C@H](C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399104 608154315 /nfs/dbraw/zinc/15/43/15/608154315.db2.gz IXHLBAOTDJNAPI-NEPJUHHUSA-N -1 3 284.367 2.409 20 30 CEEDHM CC(C)CN(CCC#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824255324 608497111 /nfs/dbraw/zinc/49/71/11/608497111.db2.gz DZBFPTNASJGLJD-UHFFFAOYSA-N -1 3 290.396 2.300 20 30 CEEDHM CC(C)CN(CCC#N)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824255324 608497112 /nfs/dbraw/zinc/49/71/12/608497112.db2.gz DZBFPTNASJGLJD-UHFFFAOYSA-N -1 3 290.396 2.300 20 30 CEEDHM N#CCN(Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000826382010 608717116 /nfs/dbraw/zinc/71/71/16/608717116.db2.gz KSUWGGWFJURPNY-UHFFFAOYSA-N -1 3 288.380 2.196 20 30 CEEDHM C[C@@H](C#N)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824034742 609384799 /nfs/dbraw/zinc/38/47/99/609384799.db2.gz OHXZXTSSOXGCFN-ZETCQYMHSA-N -1 3 262.704 2.092 20 30 CEEDHM C[C@@H](C#N)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824034742 609384801 /nfs/dbraw/zinc/38/48/01/609384801.db2.gz OHXZXTSSOXGCFN-ZETCQYMHSA-N -1 3 262.704 2.092 20 30 CEEDHM Clc1cc(NN=Cc2cc[nH]c2)ccc1-c1nn[n-]n1 ZINC000826351215 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20 30 CEEDHM COc1cccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737142488 574812906 /nfs/dbraw/zinc/81/29/06/574812906.db2.gz VUVQOGJGFVBPQA-UHFFFAOYSA-N -1 3 294.318 2.321 20 30 CEEDHM COc1cccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737142488 574812909 /nfs/dbraw/zinc/81/29/09/574812909.db2.gz VUVQOGJGFVBPQA-UHFFFAOYSA-N -1 3 294.318 2.321 20 30 CEEDHM Cc1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737361488 574829837 /nfs/dbraw/zinc/82/98/37/574829837.db2.gz IDYVHMCQLLUISS-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM Cc1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737361488 574829839 /nfs/dbraw/zinc/82/98/39/574829839.db2.gz IDYVHMCQLLUISS-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM N#CCCCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000737688405 574843755 /nfs/dbraw/zinc/84/37/55/574843755.db2.gz TUCKYRXXJPPMDM-UHFFFAOYSA-N -1 3 278.266 2.251 20 30 CEEDHM N#CCCCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000737688405 574843756 /nfs/dbraw/zinc/84/37/56/574843756.db2.gz TUCKYRXXJPPMDM-UHFFFAOYSA-N -1 3 278.266 2.251 20 30 CEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cncs1 ZINC000737798638 574844465 /nfs/dbraw/zinc/84/44/65/574844465.db2.gz NBZJDYWLAYMKOB-SNAWJCMRSA-N -1 3 283.316 2.219 20 30 CEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cncs1 ZINC000737798638 574844467 /nfs/dbraw/zinc/84/44/67/574844467.db2.gz NBZJDYWLAYMKOB-SNAWJCMRSA-N -1 3 283.316 2.219 20 30 CEEDHM C#CCOc1ccccc1CNC[C@@H](NC(=O)[O-])C(C)C ZINC000738468830 574864734 /nfs/dbraw/zinc/86/47/34/574864734.db2.gz APQRAXYDRFTHTN-CQSZACIVSA-N -1 3 290.363 2.080 20 30 CEEDHM CCN(CC)c1ccc(/C=[NH+]/[C@H](C)C(=O)[O-])c([O-])c1 ZINC000739411984 574917001 /nfs/dbraw/zinc/91/70/01/574917001.db2.gz PCGJNHUCHLDILL-KXUVPBGPSA-N -1 3 264.325 2.130 20 30 CEEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=CC1CC1 ZINC000744027874 575112425 /nfs/dbraw/zinc/11/24/25/575112425.db2.gz BZXNVIKLBNYALF-MMQHEFTJSA-N -1 3 254.289 2.300 20 30 CEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744032992 575112434 /nfs/dbraw/zinc/11/24/34/575112434.db2.gz KYHMSPVROHCAFC-DFGFTWQDSA-N -1 3 284.315 2.309 20 30 CEEDHM Cc1ncc(CO)c(/C=N\C[C@H](C)c2ccncc2)c1[O-] ZINC000749846317 575237204 /nfs/dbraw/zinc/23/72/04/575237204.db2.gz XWJHIHJYDUNSHS-HCGGYXKBSA-N -1 3 285.347 2.206 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000751115181 575282974 /nfs/dbraw/zinc/28/29/74/575282974.db2.gz CRWGPOICTSOPDS-UHFFFAOYSA-N -1 3 291.159 2.242 20 30 CEEDHM Cc1ccc(C(=O)NCC#Cc2ccccc2)c([O-])c1O ZINC000751532883 575291496 /nfs/dbraw/zinc/29/14/96/575291496.db2.gz JMLJDDCGSZTXCX-UHFFFAOYSA-N -1 3 281.311 2.188 20 30 CEEDHM COc1cccc([O-])c1/C=N/[C@H]1CCN(c2ccccn2)C1 ZINC000753637935 575333282 /nfs/dbraw/zinc/33/32/82/575333282.db2.gz GKKBFVNJHIPTJM-MDBUFAAASA-N -1 3 297.358 2.494 20 30 CEEDHM C[C@@H]1CCC(=CC([O-])=C(C#N)C(=O)Nc2ccccn2)C1 ZINC000753800784 575343031 /nfs/dbraw/zinc/34/30/31/575343031.db2.gz FYVIUVDBOCIXBD-YURTZEIPSA-N -1 3 283.331 2.475 20 30 CEEDHM C#CCCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819692335 599078912 /nfs/dbraw/zinc/07/89/12/599078912.db2.gz 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/nfs/dbraw/zinc/99/06/31/606990631.db2.gz PGTHFYJDXFDQRY-UHFFFAOYSA-N -1 3 292.346 2.299 20 30 CEEDHM Cc1cccc(CNN=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822304068 606990632 /nfs/dbraw/zinc/99/06/32/606990632.db2.gz PGTHFYJDXFDQRY-UHFFFAOYSA-N -1 3 292.346 2.299 20 30 CEEDHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)CC ZINC000820833532 607092907 /nfs/dbraw/zinc/09/29/07/607092907.db2.gz YTROJGZDUHVFCS-UHFFFAOYSA-N -1 3 296.334 2.423 20 30 CEEDHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)CC ZINC000820833532 607092908 /nfs/dbraw/zinc/09/29/08/607092908.db2.gz YTROJGZDUHVFCS-UHFFFAOYSA-N -1 3 296.334 2.423 20 30 CEEDHM Cc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)nc1 ZINC000826291837 607888748 /nfs/dbraw/zinc/88/87/48/607888748.db2.gz YEBRAZRAKULGSN-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM Cc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)nc1 ZINC000826291837 607888749 /nfs/dbraw/zinc/88/87/49/607888749.db2.gz YEBRAZRAKULGSN-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM CC(C)(C)CC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824087226 607890059 /nfs/dbraw/zinc/89/00/59/607890059.db2.gz ROCXBNYAPWNWOO-UHFFFAOYSA-N -1 3 272.356 2.378 20 30 CEEDHM CC(C)(C)CC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000824087226 607890060 /nfs/dbraw/zinc/89/00/60/607890060.db2.gz ROCXBNYAPWNWOO-UHFFFAOYSA-N -1 3 272.356 2.378 20 30 CEEDHM CC(C)(C)CN(CCC#N)c1ccc(-c2nnn[n-]2)cn1 ZINC000824087633 607986943 /nfs/dbraw/zinc/98/69/43/607986943.db2.gz ZZPSBHKELPWMNB-UHFFFAOYSA-N -1 3 285.355 2.028 20 30 CEEDHM CC(C)(C)CN(CCC#N)c1ccc(-c2nn[n-]n2)cn1 ZINC000824087633 607986944 /nfs/dbraw/zinc/98/69/44/607986944.db2.gz ZZPSBHKELPWMNB-UHFFFAOYSA-N -1 3 285.355 2.028 20 30 CEEDHM C=CC[C@H](CO)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823888550 608410899 /nfs/dbraw/zinc/41/08/99/608410899.db2.gz PZYCMEWQNOIEJR-VIFPVBQESA-N -1 3 293.758 2.117 20 30 CEEDHM C=CC[C@H](CO)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823888550 608410897 /nfs/dbraw/zinc/41/08/97/608410897.db2.gz PZYCMEWQNOIEJR-VIFPVBQESA-N -1 3 293.758 2.117 20 30 CEEDHM C=CC[C@H](CO)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823888895 608411576 /nfs/dbraw/zinc/41/15/76/608411576.db2.gz ZSMDMRSWCJTERH-VIFPVBQESA-N -1 3 293.758 2.117 20 30 CEEDHM C=CC[C@H](CO)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823888895 608411577 /nfs/dbraw/zinc/41/15/77/608411577.db2.gz ZSMDMRSWCJTERH-VIFPVBQESA-N -1 3 293.758 2.117 20 30 CEEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826385101 608866365 /nfs/dbraw/zinc/86/63/65/608866365.db2.gz XIMVOMJYGWYFNY-UHFFFAOYSA-N -1 3 282.332 2.412 20 30 CEEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000826400774 608880105 /nfs/dbraw/zinc/88/01/05/608880105.db2.gz HYIPSDNBPRUNTO-GQCTYLIASA-N -1 3 284.250 2.495 20 30 CEEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000826400774 608880107 /nfs/dbraw/zinc/88/01/07/608880107.db2.gz HYIPSDNBPRUNTO-GQCTYLIASA-N -1 3 284.250 2.495 20 30 CEEDHM N#CCC1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826380754 609385577 /nfs/dbraw/zinc/38/55/77/609385577.db2.gz LSZVBQIZMROPRW-UHFFFAOYSA-N -1 3 286.314 2.136 20 30 CEEDHM C=C(C)CN(C)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823872570 609397833 /nfs/dbraw/zinc/39/78/33/609397833.db2.gz BBFGVHBNFCZXBW-UHFFFAOYSA-N -1 3 291.742 2.168 20 30 CEEDHM C=C(C)CN(C)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823872570 609397835 /nfs/dbraw/zinc/39/78/35/609397835.db2.gz BBFGVHBNFCZXBW-UHFFFAOYSA-N -1 3 291.742 2.168 20 30 CEEDHM C#CCCCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000823841421 609506340 /nfs/dbraw/zinc/50/63/40/609506340.db2.gz MZTFDGQUDIWHEU-UHFFFAOYSA-N -1 3 283.335 2.389 20 30 CEEDHM C#CCCCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000823841421 609506341 /nfs/dbraw/zinc/50/63/41/609506341.db2.gz MZTFDGQUDIWHEU-UHFFFAOYSA-N -1 3 283.335 2.389 20 30 CEEDHM C=C(C)CN(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823877888 609585370 /nfs/dbraw/zinc/58/53/70/609585370.db2.gz JZLHMOPOBJLHKP-UHFFFAOYSA-N -1 3 278.747 2.236 20 30 CEEDHM C=C(C)CN(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823877888 609585373 /nfs/dbraw/zinc/58/53/73/609585373.db2.gz JZLHMOPOBJLHKP-UHFFFAOYSA-N -1 3 278.747 2.236 20 30 CEEDHM N#Cc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)s1 ZINC000254927947 622666621 /nfs/dbraw/zinc/66/66/21/622666621.db2.gz JYQLUVKTPOXFQF-QPEQYQDCSA-N -1 3 280.308 2.430 20 30 CEEDHM C=CCCCN(CC)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000890814751 622997943 /nfs/dbraw/zinc/99/79/43/622997943.db2.gz FIFIQVFYZLYKGF-UHFFFAOYSA-N -1 3 277.368 2.156 20 30 CEEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cccs1 ZINC000255369671 623818314 /nfs/dbraw/zinc/81/83/14/623818314.db2.gz UGRYQGYBPZBKQS-WYGGZMRJSA-N -1 3 285.328 2.087 20 30 CEEDHM COc1c([O-])ccc(CN(C)[C@H](C)CC#N)c1[N+](=O)[O-] ZINC000891934476 624112927 /nfs/dbraw/zinc/11/29/27/624112927.db2.gz UKBQCTUVXSQLEF-SECBINFHSA-N -1 3 279.296 2.043 20 30 CEEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(C2CCC2)c1 ZINC000901979275 634402245 /nfs/dbraw/zinc/40/22/45/634402245.db2.gz BJLFITRCTIAPHV-UHFFFAOYSA-N -1 3 296.396 2.290 20 30 CEEDHM N#Cc1csc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000176842277 625093549 /nfs/dbraw/zinc/09/35/49/625093549.db2.gz KGMKIMCLUUPXSR-MLPAPPSSSA-N -1 3 280.308 2.430 20 30 CEEDHM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000935259896 625147286 /nfs/dbraw/zinc/14/72/86/625147286.db2.gz CTLGZKQBSWHZED-VIFPVBQESA-N -1 3 265.313 2.127 20 30 CEEDHM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000935259896 625147287 /nfs/dbraw/zinc/14/72/87/625147287.db2.gz CTLGZKQBSWHZED-VIFPVBQESA-N -1 3 265.313 2.127 20 30 CEEDHM [O-]c1c(C=NN2CCC[C@H]2CO)ccc2ccccc12 ZINC000841657712 628563869 /nfs/dbraw/zinc/56/38/69/628563869.db2.gz PYWPNRZIHLPKGW-AWEZNQCLSA-N -1 3 270.332 2.336 20 30 CEEDHM N#CCCN(Cc1cccnc1)C(=O)c1cccc(O)c1[O-] ZINC000184771099 628736134 /nfs/dbraw/zinc/73/61/34/628736134.db2.gz BUEWEDQICSUVHZ-UHFFFAOYSA-N -1 3 297.314 2.049 20 30 CEEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CC[C@@H](C)C2)c1[O-] ZINC000794848758 629335121 /nfs/dbraw/zinc/33/51/21/629335121.db2.gz SVTGVMKURDHDMO-UGFHQDBRSA-N -1 3 262.353 2.443 20 30 CEEDHM C[C@H]1COC(=O)C1=N[N-]c1ccc(Cl)cc1[N+](=O)[O-] ZINC000794896851 629353024 /nfs/dbraw/zinc/35/30/24/629353024.db2.gz 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Cc1ncc(CO)c(/C=N/CCC[C@@H]2CCCCO2)c1[O-] ZINC000273797173 263019338 /nfs/dbraw/zinc/01/93/38/263019338.db2.gz XYEGETCDPUQLGN-FBJMNJBLSA-N -1 3 292.379 2.356 20 30 CEEDHM N#CCCN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000277479087 263041493 /nfs/dbraw/zinc/04/14/93/263041493.db2.gz QHPPMCPEUKVJDV-UHFFFAOYSA-N -1 3 277.711 2.315 20 30 CEEDHM CC1(C)CCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C#N ZINC000277607399 263042498 /nfs/dbraw/zinc/04/24/98/263042498.db2.gz UYAGGEVGIDLSKF-GFCCVEGCSA-N -1 3 274.320 2.252 20 30 CEEDHM CC[C@@](C)(C#N)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000289111290 263107557 /nfs/dbraw/zinc/10/75/57/263107557.db2.gz NJNYVMJXMRIQKF-AWEZNQCLSA-N -1 3 287.298 2.489 20 30 CEEDHM C#C[C@@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289349089 263109189 /nfs/dbraw/zinc/10/91/89/263109189.db2.gz IUSFJPILYNJIEQ-SSDOTTSWSA-N -1 3 254.673 2.065 20 30 CEEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000290940531 263119327 /nfs/dbraw/zinc/11/93/27/263119327.db2.gz LJRWNQXMIVSEGG-NPQIQWPPSA-N -1 3 294.351 2.408 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CCc2ccsc2)c1[O-] ZINC000298267174 263216902 /nfs/dbraw/zinc/21/69/02/263216902.db2.gz BBOZXSOEKCQNFI-VIZOYTHASA-N -1 3 276.361 2.311 20 30 CEEDHM N#CC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCC1 ZINC000299511001 263244941 /nfs/dbraw/zinc/24/49/41/263244941.db2.gz NAQBUIUXVMCORW-UHFFFAOYSA-N -1 3 267.288 2.116 20 30 CEEDHM CC#CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000119566864 263276514 /nfs/dbraw/zinc/27/65/14/263276514.db2.gz YKNKFUKLUNGZSL-UHFFFAOYSA-N -1 3 281.739 2.044 20 30 CEEDHM CC[C@](C)(NC(=O)C[C@@H]1NC(=O)[N-]C1=O)c1nccs1 ZINC000328848722 263879630 /nfs/dbraw/zinc/87/96/30/263879630.db2.gz YMKWVZQUKJGPDK-MADCSZMMSA-N -1 3 296.352 2.368 20 30 CEEDHM Cc1cnc(C(=O)NCCN2CCCC[C@H]2C)c([O-])c1 ZINC000330885630 264062771 /nfs/dbraw/zinc/06/27/71/264062771.db2.gz QWAXUEPEBUFFIK-GFCCVEGCSA-N -1 3 277.368 2.275 20 30 CEEDHM Cn1cc(C(=O)NCc2ncccc2[O-])c(C(C)(C)C)n1 ZINC000331010482 264107018 /nfs/dbraw/zinc/10/70/18/264107018.db2.gz JAGHAJRVGWZAHG-UHFFFAOYSA-N -1 3 288.351 2.323 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H]2C)cc1[O-] ZINC000331235482 264174425 /nfs/dbraw/zinc/17/44/25/264174425.db2.gz LNYQBJURNKZNAU-BXKDBHETSA-N -1 3 263.293 2.077 20 30 CEEDHM N#CCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188872913 264254355 /nfs/dbraw/zinc/25/43/55/264254355.db2.gz HWYCHAKRMXSGAP-UHFFFAOYSA-N -1 3 266.713 2.045 20 30 CEEDHM C#CCN1CCC(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000129595780 264328036 /nfs/dbraw/zinc/32/80/36/264328036.db2.gz WXBFHFJNINQDBC-UHFFFAOYSA-N -1 3 292.766 2.329 20 30 CEEDHM N#CCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000131288005 264368208 /nfs/dbraw/zinc/36/82/08/264368208.db2.gz GQISQIFBBIQCHD-UHFFFAOYSA-N -1 3 276.720 2.061 20 30 CEEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)cc1[O-] ZINC000530030228 268199617 /nfs/dbraw/zinc/19/96/17/268199617.db2.gz ZGNPUASRZHWCGH-HNNXBMFYSA-N -1 3 299.374 2.011 20 30 CEEDHM N#Cc1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)cc1 ZINC000135207225 280039274 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327345613 /nfs/dbraw/zinc/34/56/13/327345613.db2.gz ACUFSSAQYPWXEW-UHFFFAOYSA-N -1 3 286.401 2.188 20 30 CEEDHM CCCCCCCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000120682217 327345614 /nfs/dbraw/zinc/34/56/14/327345614.db2.gz ACUFSSAQYPWXEW-UHFFFAOYSA-N -1 3 286.401 2.188 20 30 CEEDHM C#CCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000192230397 329432399 /nfs/dbraw/zinc/43/23/99/329432399.db2.gz FNCXSICDRXWAFA-UHFFFAOYSA-N -1 3 295.342 2.487 20 30 CEEDHM COCc1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000049155726 329635420 /nfs/dbraw/zinc/63/54/20/329635420.db2.gz QIPDHYBJWPMACF-VIFPVBQESA-N -1 3 273.317 2.175 20 30 CEEDHM CCN(CC#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000432878777 330609676 /nfs/dbraw/zinc/60/96/76/330609676.db2.gz QZHNVUHQWHCAGI-UHFFFAOYSA-N -1 3 297.152 2.069 20 30 CEEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000451809666 331043174 /nfs/dbraw/zinc/04/31/74/331043174.db2.gz JPCKPXZLGPUWIA-UHFFFAOYSA-N -1 3 285.413 2.030 20 30 CEEDHM C=CC(C)(C)CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000456118358 331184658 /nfs/dbraw/zinc/18/46/58/331184658.db2.gz QJYOLXXUXDOEGR-UHFFFAOYSA-N -1 3 270.332 2.470 20 30 CEEDHM C=CCC[C@@H](CO)NC(=O)c1cc(CC)ccc1[O-] ZINC000456768868 331202024 /nfs/dbraw/zinc/20/20/24/331202024.db2.gz OXDANWRAMXFKGB-LBPRGKRZSA-N -1 3 263.337 2.012 20 30 CEEDHM COc1cc(C(=O)NCC(C)(C)CCC#N)ccc1[O-] ZINC000489971812 332075207 /nfs/dbraw/zinc/07/52/07/332075207.db2.gz KTBPGKMQNVWRKL-UHFFFAOYSA-N -1 3 276.336 2.461 20 30 CEEDHM C#CCN(CC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000491285187 332180832 /nfs/dbraw/zinc/18/08/32/332180832.db2.gz BTGURVPMCMXNPS-UHFFFAOYSA-N -1 3 292.298 2.040 20 30 CEEDHM C=C(C)CO[N-]C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000496642193 332555494 /nfs/dbraw/zinc/55/54/94/332555494.db2.gz QMTJUXCMGVDNFH-LLVKDONJSA-N -1 3 286.372 2.113 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc([O-])cc1Cl ZINC000576749750 335242892 /nfs/dbraw/zinc/24/28/92/335242892.db2.gz WRFYQRFJDLLIKI-FZMZJTMJSA-N -1 3 295.766 2.295 20 30 CEEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000577345928 335340932 /nfs/dbraw/zinc/34/09/32/335340932.db2.gz GTSKONCBSDHQEB-LBPRGKRZSA-N -1 3 284.356 2.246 20 30 CEEDHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]c1nncn1C1CC1 ZINC000329122836 533894021 /nfs/dbraw/zinc/89/40/21/533894021.db2.gz RJOLHXCLPWFJGT-PWSUYJOCSA-N -1 3 294.355 2.175 20 30 CEEDHM C=C(C)CS(=O)(=O)[N-][C@@H](COC)c1ccc(CC)o1 ZINC000184435115 518625003 /nfs/dbraw/zinc/62/50/03/518625003.db2.gz JWSSLTRQBBESJD-LBPRGKRZSA-N -1 3 287.381 2.025 20 30 CEEDHM C=C(C)C[C@@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000183795943 518630350 /nfs/dbraw/zinc/63/03/50/518630350.db2.gz CZRWHPRRDPXWPI-LLVKDONJSA-N -1 3 285.351 2.085 20 30 CEEDHM C=C(C)C[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000183795943 518630359 /nfs/dbraw/zinc/63/03/59/518630359.db2.gz CZRWHPRRDPXWPI-LLVKDONJSA-N -1 3 285.351 2.085 20 30 CEEDHM C=C(C)C[C@@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000184528929 518632929 /nfs/dbraw/zinc/63/29/29/518632929.db2.gz MTILICKKWOZFLY-ZCFIWIBFSA-N -1 3 262.235 2.364 20 30 CEEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000184528929 518632937 /nfs/dbraw/zinc/63/29/37/518632937.db2.gz MTILICKKWOZFLY-ZCFIWIBFSA-N -1 3 262.235 2.364 20 30 CEEDHM CCO[N-]C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000183997484 520234586 /nfs/dbraw/zinc/23/45/86/520234586.db2.gz OIQMQDLKZXHZLK-UHFFFAOYSA-N -1 3 271.223 2.233 20 30 CEEDHM N#CC1(c2ccc(C(=O)NCc3ncccc3[O-])cc2)CC1 ZINC000352517074 534574631 /nfs/dbraw/zinc/57/46/31/534574631.db2.gz NOJJJJCOICWBKX-UHFFFAOYSA-N -1 3 293.326 2.272 20 30 CEEDHM C=CCOc1cccc(CNCc2cnc(C)[n-]c2=O)c1 ZINC000344321429 526903863 /nfs/dbraw/zinc/90/38/63/526903863.db2.gz FXRXMIAQVMKOMK-UHFFFAOYSA-N -1 3 285.347 2.345 20 30 CEEDHM C#CCO[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000295446535 527080450 /nfs/dbraw/zinc/08/04/50/527080450.db2.gz WCRZWKIKWMBARJ-VXGBXAGGSA-N -1 3 273.332 2.271 20 30 CEEDHM CC1(C)CC[C@H](CNC(=O)c2csc(=O)[n-]2)O1 ZINC000329995280 529038263 /nfs/dbraw/zinc/03/82/63/529038263.db2.gz ZXDXTKURCYYYII-SSDOTTSWSA-N -1 3 256.327 2.111 20 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/nfs/dbraw/zinc/78/73/28/574787328.db2.gz PZNVSDQTZUTXHF-YFHOEESVSA-N -1 3 296.334 2.423 20 30 CEEDHM N#Cc1ccccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737728069 574843684 /nfs/dbraw/zinc/84/36/84/574843684.db2.gz XNXOQYMXGLYEFL-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1ccccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737728069 574843685 /nfs/dbraw/zinc/84/36/85/574843685.db2.gz XNXOQYMXGLYEFL-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738009124 574849693 /nfs/dbraw/zinc/84/96/93/574849693.db2.gz WHOCWHRUAVOEMZ-INIZCTEOSA-N -1 3 296.326 2.482 20 30 CEEDHM Cc1noc(C)c1CCN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738944325 574886399 /nfs/dbraw/zinc/88/63/99/574886399.db2.gz WFIHQABPWFHBJJ-OAHLLOKOSA-N -1 3 299.330 2.121 20 30 CEEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000739117996 574896145 /nfs/dbraw/zinc/89/61/45/574896145.db2.gz KAATVHLMTNAQQT-INIZCTEOSA-N -1 3 291.310 2.345 20 30 CEEDHM COc1cccc([O-])c1/C=N\C[C@H](O)c1ccc(C)o1 ZINC000741165141 574977754 /nfs/dbraw/zinc/97/77/54/574977754.db2.gz HAWHHTZTIYPYCH-TUTDSIAXSA-N -1 3 275.304 2.455 20 30 CEEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)C1CC1 ZINC000743448973 575104348 /nfs/dbraw/zinc/10/43/48/575104348.db2.gz JPKQUOJNBDKVSH-UHFFFAOYSA-N -1 3 280.393 2.325 20 30 CEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccco1 ZINC000743449204 575104359 /nfs/dbraw/zinc/10/43/59/575104359.db2.gz QHYJFWCFGXTJMV-UHFFFAOYSA-N -1 3 292.360 2.166 20 30 CEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744033748 575112419 /nfs/dbraw/zinc/11/24/19/575112419.db2.gz WRMNSNUERHLAQB-IDVQTMNDSA-N -1 3 284.315 2.309 20 30 CEEDHM C[C@H](Cc1ccncc1)/N=C\c1ccc(O)c([O-])c1O ZINC000749845748 575237225 /nfs/dbraw/zinc/23/72/25/575237225.db2.gz UCDQEUNGZUNZTD-LGQZLYSRSA-N -1 3 272.304 2.249 20 30 CEEDHM COC1CCC(C/N=C/c2c([O-])c(C)ncc2CO)CC1 ZINC000749930755 575240232 /nfs/dbraw/zinc/24/02/32/575240232.db2.gz MXLVKWDEQOWIEJ-RQZCQDPDSA-N -1 3 292.379 2.212 20 30 CEEDHM C(=Cc1ccco1)C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819709316 607252987 /nfs/dbraw/zinc/25/29/87/607252987.db2.gz CCLVBYRZQZVIHN-OQKRJFEZSA-N -1 3 294.318 2.249 20 30 CEEDHM C(=Cc1ccco1)C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000819709316 607252988 /nfs/dbraw/zinc/25/29/88/607252988.db2.gz CCLVBYRZQZVIHN-OQKRJFEZSA-N -1 3 294.318 2.249 20 30 CEEDHM CN(CCC#N)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821597874 607302414 /nfs/dbraw/zinc/30/24/14/607302414.db2.gz KAUAWUCEEFJKCF-UHFFFAOYSA-N -1 3 296.256 2.235 20 30 CEEDHM CN(CCC#N)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821597874 607302415 /nfs/dbraw/zinc/30/24/15/607302415.db2.gz KAUAWUCEEFJKCF-UHFFFAOYSA-N -1 3 296.256 2.235 20 30 CEEDHM C=CC[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819730206 607291329 /nfs/dbraw/zinc/29/13/29/607291329.db2.gz SKOLDKASPTXJHQ-VIFPVBQESA-N -1 3 286.339 2.261 20 30 CEEDHM C=CC[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819730206 607291330 /nfs/dbraw/zinc/29/13/30/607291330.db2.gz SKOLDKASPTXJHQ-VIFPVBQESA-N -1 3 286.339 2.261 20 30 CEEDHM N#Cc1cccc(CN2CCC[C@@H](CC(=O)[O-])C2)c1F ZINC000222390893 598172112 /nfs/dbraw/zinc/17/21/12/598172112.db2.gz LLQMHBMZAKNEEG-NSHDSACASA-N -1 3 276.311 2.384 20 30 CEEDHM Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000822259264 607464847 /nfs/dbraw/zinc/46/48/47/607464847.db2.gz RJPPDYADUJLFJY-UHFFFAOYSA-N -1 3 297.297 2.155 20 30 CEEDHM Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000822259264 607464849 /nfs/dbraw/zinc/46/48/49/607464849.db2.gz RJPPDYADUJLFJY-UHFFFAOYSA-N -1 3 297.297 2.155 20 30 CEEDHM C[C@H](NCc1c[nH]c(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC000827735034 601833890 /nfs/dbraw/zinc/83/38/90/601833890.db2.gz ONTWNQNHCGGQEE-JTQLQIEISA-N -1 3 269.304 2.435 20 30 CEEDHM C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1CNC(=O)[O-] ZINC000825924121 603717437 /nfs/dbraw/zinc/71/74/37/603717437.db2.gz DECPPEDWACLYTE-WFASDCNBSA-N -1 3 287.363 2.426 20 30 CEEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825624375 603819352 /nfs/dbraw/zinc/81/93/52/603819352.db2.gz WVXSGHSSCLKCPH-BXUZGUMPSA-N -1 3 273.336 2.303 20 30 CEEDHM N#CC(C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1)c1ccccn1 ZINC000831064814 604220040 /nfs/dbraw/zinc/22/00/40/604220040.db2.gz NQPJCWUGKCODQQ-UTUOFQBUSA-N -1 3 287.319 2.084 20 30 CEEDHM C=CCCOCCN[C@H](C(=O)[O-])c1ccccc1F ZINC000833375137 604630597 /nfs/dbraw/zinc/63/05/97/604630597.db2.gz XSFHMBGJCDFREQ-ZDUSSCGKSA-N -1 3 267.300 2.134 20 30 CEEDHM COc1ccc(C#N)cc1CN1CCCC[C@@H]1C(=O)[O-] ZINC000131371940 604795240 /nfs/dbraw/zinc/79/52/40/604795240.db2.gz WXNHDXJJGACCMD-CYBMUJFWSA-N -1 3 274.320 2.006 20 30 CEEDHM CC(C)N(CCC(=O)[O-])Cc1cccc(C#N)c1F ZINC000222388220 605041389 /nfs/dbraw/zinc/04/13/89/605041389.db2.gz UNEATPOEYBWZLK-UHFFFAOYSA-N -1 3 264.300 2.382 20 30 CEEDHM C=C1CCN(Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833370271 605295957 /nfs/dbraw/zinc/29/59/57/605295957.db2.gz DUEPXVBMCQXYDX-UHFFFAOYSA-N -1 3 261.321 2.302 20 30 CEEDHM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1ccccn1 ZINC000833960678 605487452 /nfs/dbraw/zinc/48/74/52/605487452.db2.gz KIUYCJMFETXSRA-VXGBXAGGSA-N -1 3 287.319 2.038 20 30 CEEDHM N#Cc1ccc(CNC[C@H]2CCCCN2C(=O)[O-])c(F)c1 ZINC000831126339 605515531 /nfs/dbraw/zinc/51/55/31/605515531.db2.gz AWLNSOKLBULUFO-CYBMUJFWSA-N -1 3 291.326 2.319 20 30 CEEDHM N#CCC[C@H](N[C@@H]1CCN(C(=O)[O-])C1)c1ccccc1 ZINC000833969285 605988274 /nfs/dbraw/zinc/98/82/74/605988274.db2.gz UMHXUFNHYNYXCK-KGLIPLIRSA-N -1 3 273.336 2.373 20 30 CEEDHM N#CC(C(=O)CC1CCN(C(=O)[O-])CC1)c1ccccn1 ZINC000833961004 606084663 /nfs/dbraw/zinc/08/46/63/606084663.db2.gz NJKNCZJFEAZNNQ-GFCCVEGCSA-N -1 3 287.319 2.038 20 30 CEEDHM C=CCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819734444 606262747 /nfs/dbraw/zinc/26/27/47/606262747.db2.gz NXAKPGAAASVOEC-UHFFFAOYSA-N -1 3 275.287 2.301 20 30 CEEDHM C=CCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819734444 606262749 /nfs/dbraw/zinc/26/27/49/606262749.db2.gz NXAKPGAAASVOEC-UHFFFAOYSA-N -1 3 275.287 2.301 20 30 CEEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccoc1 ZINC000819781969 606700613 /nfs/dbraw/zinc/70/06/13/606700613.db2.gz GCASSKYCUHTCHI-UHFFFAOYSA-N -1 3 268.280 2.296 20 30 CEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccoc1 ZINC000819781969 606700615 /nfs/dbraw/zinc/70/06/15/606700615.db2.gz GCASSKYCUHTCHI-UHFFFAOYSA-N -1 3 268.280 2.296 20 30 CEEDHM N#Cc1cccc(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822836940 607170722 /nfs/dbraw/zinc/17/07/22/607170722.db2.gz BFMGIOZRCBWIAZ-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1cccc(COc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822836940 607170723 /nfs/dbraw/zinc/17/07/23/607170723.db2.gz BFMGIOZRCBWIAZ-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM Cc1c(N=Cc2cccc(O)c2O)cccc1-c1nn[n-]n1 ZINC000822035097 607251230 /nfs/dbraw/zinc/25/12/30/607251230.db2.gz PXDQMHYRQWVBLA-UHFFFAOYSA-N -1 3 295.302 2.337 20 30 CEEDHM O=C1c2ccccc2OC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476707 607885148 /nfs/dbraw/zinc/88/51/48/607885148.db2.gz NDQXHSZMZSTMJM-NTEUORMPSA-N -1 3 290.282 2.483 20 30 CEEDHM O=C1c2ccccc2OC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476707 607885149 /nfs/dbraw/zinc/88/51/49/607885149.db2.gz NDQXHSZMZSTMJM-NTEUORMPSA-N -1 3 290.282 2.483 20 30 CEEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823837704 608300942 /nfs/dbraw/zinc/30/09/42/608300942.db2.gz FVKUTOWHBTWVIT-UHFFFAOYSA-N -1 3 283.335 2.307 20 30 CEEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823837704 608300944 /nfs/dbraw/zinc/30/09/44/608300944.db2.gz FVKUTOWHBTWVIT-UHFFFAOYSA-N -1 3 283.335 2.307 20 30 CEEDHM C#CCCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823844572 608323031 /nfs/dbraw/zinc/32/30/31/608323031.db2.gz BKMBMNDDYWHZIU-UHFFFAOYSA-N -1 3 278.319 2.144 20 30 CEEDHM C#CCCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823844572 608323033 /nfs/dbraw/zinc/32/30/33/608323033.db2.gz BKMBMNDDYWHZIU-UHFFFAOYSA-N -1 3 278.319 2.144 20 30 CEEDHM N#CC1(COc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826380063 608330489 /nfs/dbraw/zinc/33/04/89/608330489.db2.gz LQUAIWQEHHCODE-UHFFFAOYSA-N -1 3 275.699 2.203 20 30 CEEDHM N#CC1(COc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826380063 608330491 /nfs/dbraw/zinc/33/04/91/608330491.db2.gz LQUAIWQEHHCODE-UHFFFAOYSA-N -1 3 275.699 2.203 20 30 CEEDHM C=CCN(CC=C)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823904066 608353379 /nfs/dbraw/zinc/35/33/79/608353379.db2.gz UJAQPMPHRCLMAU-UHFFFAOYSA-N -1 3 285.351 2.049 20 30 CEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cscn1 ZINC000823958403 608473135 /nfs/dbraw/zinc/47/31/35/608473135.db2.gz MRYCZYFAKLZSDN-UHFFFAOYSA-N -1 3 285.336 2.159 20 30 CEEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000826266751 608473883 /nfs/dbraw/zinc/47/38/83/608473883.db2.gz ZUUFNROVEZWSDU-UHFFFAOYSA-N -1 3 296.334 2.200 20 30 CEEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826266751 608473886 /nfs/dbraw/zinc/47/38/86/608473886.db2.gz ZUUFNROVEZWSDU-UHFFFAOYSA-N -1 3 296.334 2.200 20 30 CEEDHM C[C@@H](Nc1cnccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000824663398 608770833 /nfs/dbraw/zinc/77/08/33/608770833.db2.gz YXTYZMBDYJOORM-SNVBAGLBSA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@@H](Nc1cnccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000824663398 608770835 /nfs/dbraw/zinc/77/08/35/608770835.db2.gz YXTYZMBDYJOORM-SNVBAGLBSA-N -1 3 291.318 2.306 20 30 CEEDHM C=C(Cl)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000823883595 609306562 /nfs/dbraw/zinc/30/65/62/609306562.db2.gz VDKRQPCMXHEKLR-UHFFFAOYSA-N -1 3 282.760 2.118 20 30 CEEDHM C=C(Cl)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000823883595 609306564 /nfs/dbraw/zinc/30/65/64/609306564.db2.gz VDKRQPCMXHEKLR-UHFFFAOYSA-N -1 3 282.760 2.118 20 30 CEEDHM C#C[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000890654632 622754786 /nfs/dbraw/zinc/75/47/86/622754786.db2.gz FKDKLSRAMVWJEH-LBPRGKRZSA-N -1 3 261.296 2.088 20 30 CEEDHM C=CC(C)(C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000891269290 623345074 /nfs/dbraw/zinc/34/50/74/623345074.db2.gz GTZGBSQINITACT-UHFFFAOYSA-N -1 3 265.309 2.104 20 30 CEEDHM COc1cnc([C@H]2CCCN2CCC(C)(C)C#N)[n-]c1=O ZINC000934280188 624384454 /nfs/dbraw/zinc/38/44/54/624384454.db2.gz UBAOGRWURHPQDF-LLVKDONJSA-N -1 3 290.367 2.268 20 30 CEEDHM CS[C@@H]1CC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000743043745 624678414 /nfs/dbraw/zinc/67/84/14/624678414.db2.gz ZFDHNBNKZHNZNQ-PPCFUKRJSA-N -1 3 280.393 2.291 20 30 CEEDHM Cc1cc([O-])c(C=NN(C)C[C@H](C)O)c(Cl)c1 ZINC000841648594 627771620 /nfs/dbraw/zinc/77/16/20/627771620.db2.gz OUYSXVJLBLNFPJ-VIFPVBQESA-N -1 3 256.733 2.001 20 30 CEEDHM CC[C@H](NN=C(C)c1ccc(N(C)CC)cc1)C(=O)[O-] ZINC000793078365 629744263 /nfs/dbraw/zinc/74/42/63/629744263.db2.gz LMLLCUROLQMFLK-AWEZNQCLSA-N -1 3 277.368 2.320 20 30 CEEDHM O=C1[C@@H](NCc2cccc(Cl)c2Cl)CCCN1[O-] ZINC000895166552 629991239 /nfs/dbraw/zinc/99/12/39/629991239.db2.gz RQOHTNHRMKFWTH-JTQLQIEISA-N -1 3 289.162 2.463 20 30 CEEDHM C=CCO[N-]C(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000821891493 634820019 /nfs/dbraw/zinc/82/00/19/634820019.db2.gz FAVZPAQPFBKHGX-IUCAKERBSA-N -1 3 267.247 2.110 20 30 CEEDHM CCCCN([O-])C(=O)CCc1nc(-c2ccoc2)no1 ZINC000904210396 635501969 /nfs/dbraw/zinc/50/19/69/635501969.db2.gz OBGHKKOWILOKEM-UHFFFAOYSA-N -1 3 279.296 2.280 20 30 CEEDHM Cc1ccc(-c2cc(C(=O)OCCO[C@H](C)C#N)n[n-]2)o1 ZINC000801827904 631326853 /nfs/dbraw/zinc/32/68/53/631326853.db2.gz XYBZKIMQTDZHDN-SNVBAGLBSA-N -1 3 289.291 2.064 20 30 CEEDHM Cc1ccc(-c2cc(C(=O)OCCO[C@H](C)C#N)[n-]n2)o1 ZINC000801827904 631326859 /nfs/dbraw/zinc/32/68/59/631326859.db2.gz XYBZKIMQTDZHDN-SNVBAGLBSA-N -1 3 289.291 2.064 20 30 CEEDHM CC(C)c1nnc(COC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000811187058 632355223 /nfs/dbraw/zinc/35/52/23/632355223.db2.gz IONCPYRBOHIQCJ-UHFFFAOYSA-N -1 3 287.275 2.127 20 30 CEEDHM N#Cc1ccc(CCC(=O)[N-]OC/C=C\Cl)cc1 ZINC000812406529 632525957 /nfs/dbraw/zinc/52/59/57/632525957.db2.gz BXKBBTDZTDBKFO-QPIMQUGISA-N -1 3 264.712 2.291 20 30 CEEDHM COC(=O)CCC[C@@H]1CCCC(=NN=c2cc[n-]n2C)C1 ZINC000814907697 632922422 /nfs/dbraw/zinc/92/24/22/632922422.db2.gz VOROKODQAOEYPO-LBPRGKRZSA-N -1 3 292.383 2.143 20 30 CEEDHM C[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)n1ccnc1 ZINC000901371409 634075722 /nfs/dbraw/zinc/07/57/22/634075722.db2.gz BFOGTTBGBGZCNX-LLVKDONJSA-N -1 3 277.299 2.391 20 30 CEEDHM CCCCCCCCCC(=O)N[C@H]1CCN([O-])C1=O ZINC000820156140 634342970 /nfs/dbraw/zinc/34/29/70/634342970.db2.gz DQQITBQDRBADJD-LBPRGKRZSA-N -1 3 270.373 2.233 20 30 CEEDHM C=C(Cl)C[C@@H](NCc1ncc(C)c(OC)c1C)C(=O)[O-] ZINC000901941577 634368374 /nfs/dbraw/zinc/36/83/74/634368374.db2.gz XBXUHZGKEZSPFA-LLVKDONJSA-N -1 3 298.770 2.392 20 30 CEEDHM C=C[C@H](CC)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823883523 635300420 /nfs/dbraw/zinc/30/04/20/635300420.db2.gz SJTMHGUASUJCQU-BZYZDCJZSA-N -1 3 284.319 2.388 20 30 CEEDHM C=C[C@H](CC)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823883523 635300427 /nfs/dbraw/zinc/30/04/27/635300427.db2.gz SJTMHGUASUJCQU-BZYZDCJZSA-N -1 3 284.319 2.388 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894506 635302476 /nfs/dbraw/zinc/30/24/76/635302476.db2.gz RTDVWZLNNYMOSU-NSHDSACASA-N -1 3 285.351 2.341 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894506 635302485 /nfs/dbraw/zinc/30/24/85/635302485.db2.gz RTDVWZLNNYMOSU-NSHDSACASA-N -1 3 285.351 2.341 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894315 635302898 /nfs/dbraw/zinc/30/28/98/635302898.db2.gz NBWQTYIAOHFXBN-LBPRGKRZSA-N -1 3 299.378 2.270 20 30 CEEDHM C=CCCC[C@H](C)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894315 635302906 /nfs/dbraw/zinc/30/29/06/635302906.db2.gz NBWQTYIAOHFXBN-LBPRGKRZSA-N -1 3 299.378 2.270 20 30 CEEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903890073 635316509 /nfs/dbraw/zinc/31/65/09/635316509.db2.gz VBBIABHVHQRFTJ-GXTWGEPZSA-N -1 3 290.319 2.304 20 30 CEEDHM C[C@H]1COCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173009 635491467 /nfs/dbraw/zinc/49/14/67/635491467.db2.gz FYQMNYRGSHRPEQ-GXFFZTMASA-N -1 3 267.300 2.216 20 30 CEEDHM CCc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1C ZINC000904175603 635494253 /nfs/dbraw/zinc/49/42/53/635494253.db2.gz VBFOLXGQKXMAAD-UHFFFAOYSA-N -1 3 277.299 2.153 20 30 CEEDHM CCCCCCN([O-])C(=O)C1(S(C)(=O)=O)CCCC1 ZINC000904207066 635497662 /nfs/dbraw/zinc/49/76/62/635497662.db2.gz PHDNEVPIOPZHOK-UHFFFAOYSA-N -1 3 291.413 2.142 20 30 CEEDHM CCCCCCN([O-])C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000904206535 635497705 /nfs/dbraw/zinc/49/77/05/635497705.db2.gz AWFZRBYZMBLMLY-OLZOCXBDSA-N -1 3 273.373 2.226 20 30 CEEDHM CCCCN([O-])C(=O)CCc1nc(C(C)(C)C)no1 ZINC000904208929 635499418 /nfs/dbraw/zinc/49/94/18/635499418.db2.gz MSJSMDXQUBSPKL-UHFFFAOYSA-N -1 3 269.345 2.318 20 30 CEEDHM CCCCN([O-])C(=O)CSCc1ccccn1 ZINC000904208628 635499535 /nfs/dbraw/zinc/49/95/35/635499535.db2.gz DHBKDFHQMOCQBJ-UHFFFAOYSA-N -1 3 254.355 2.333 20 30 CEEDHM CCCCN([O-])C(=O)[C@]1(C)Cc2ccccc2C(=O)O1 ZINC000904209226 635501188 /nfs/dbraw/zinc/50/11/88/635501188.db2.gz WUFNBBNILPZHJA-HNNXBMFYSA-N -1 3 277.320 2.176 20 30 CEEDHM O=C([C@H]1CCCOC1)N([O-])Cc1ccccc1Cl ZINC000904188662 635502698 /nfs/dbraw/zinc/50/26/98/635502698.db2.gz ISBCTMSDGLHHCH-NSHDSACASA-N -1 3 269.728 2.484 20 30 CEEDHM CCCCN([O-])C(=O)Cc1nn(C)c2ccccc12 ZINC000904215082 635514954 /nfs/dbraw/zinc/51/49/54/635514954.db2.gz ZMGAKEZARSGFRA-UHFFFAOYSA-N -1 3 261.325 2.134 20 30 CEEDHM CCCCN([O-])C(=O)[C@H]1CCN1C(=O)OC(C)(C)C ZINC000904213289 635521848 /nfs/dbraw/zinc/52/18/48/635521848.db2.gz NPMPZLYPRKAZGA-SNVBAGLBSA-N -1 3 272.345 2.014 20 30 CEEDHM C=C1CCC(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000831006329 637216745 /nfs/dbraw/zinc/21/67/45/637216745.db2.gz STFMGMYXLYIITH-UHFFFAOYSA-N -1 3 289.379 2.204 20 30 CEEDHM CCn1nnc(C)c1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000834409752 637819652 /nfs/dbraw/zinc/81/96/52/637819652.db2.gz ZWIIAIFCSPMVSJ-SOFGYWHQSA-N -1 3 287.319 2.217 20 30 CEEDHM CC1(C)OCC[C@H]1NN=Cc1ccc([O-])c(F)c1 ZINC000835016772 638023296 /nfs/dbraw/zinc/02/32/96/638023296.db2.gz NJFPBGLDRGDAEN-GFCCVEGCSA-N -1 3 252.289 2.022 20 30 CEEDHM C=CCO[N-]C(=O)C(C)(C)Cc1nc2ccccc2[nH]1 ZINC000837049316 639031339 /nfs/dbraw/zinc/03/13/39/639031339.db2.gz DLQYOOYQTTWJRB-UHFFFAOYSA-N -1 3 273.336 2.365 20 30 CEEDHM Cc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)nc1C ZINC000840712154 639527547 /nfs/dbraw/zinc/52/75/47/639527547.db2.gz WOAVNWXRBROOQV-CAOOACKPSA-N -1 3 285.347 2.219 20 30 CEEDHM O=C1CCCN1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000060802509 639652705 /nfs/dbraw/zinc/65/27/05/639652705.db2.gz MPCVWHSOIRZDNT-MHWRWJLKSA-N -1 3 280.755 2.477 20 30 CEEDHM CO[C@H](C/N=C/c1c([O-])c(C)ncc1CO)CC(C)C ZINC000841482632 639773621 /nfs/dbraw/zinc/77/36/21/639773621.db2.gz RMDFQOIAJLMUAB-MJOIQJIUSA-N -1 3 280.368 2.068 20 30 CEEDHM C[C@H](CO)N(C)N=Cc1ccc2ccccc2c1[O-] ZINC000842539237 640094681 /nfs/dbraw/zinc/09/46/81/640094681.db2.gz SSQBXTDSBPRMAA-LLVKDONJSA-N -1 3 258.321 2.192 20 30 CEEDHM C#CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000843999629 640573983 /nfs/dbraw/zinc/57/39/83/640573983.db2.gz IUTZWHHIMCWPNW-GFCCVEGCSA-N -1 3 275.323 2.336 20 30 CEEDHM C#CC1CCN(C(=O)c2cccc(CC)c2[O-])CC1 ZINC000844047294 640587880 /nfs/dbraw/zinc/58/78/80/640587880.db2.gz POTQNHVPRNBPKZ-UHFFFAOYSA-N -1 3 257.333 2.440 20 30 CEEDHM [O-]c1ccc(Br)cc1/C=N/[C@H](CO)CCF ZINC000844271511 640650374 /nfs/dbraw/zinc/65/03/74/640650374.db2.gz PEQKYIYMYSHLSM-XPWNQWCVSA-N -1 3 290.132 2.294 20 30 CEEDHM CCCNN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000915965372 640714434 /nfs/dbraw/zinc/71/44/34/640714434.db2.gz NRQSTBMUOLZFBD-UHFFFAOYSA-N -1 3 287.157 2.497 20 30 CEEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@](C)(C#N)CN(C)C)cc1 ZINC000844528738 640759062 /nfs/dbraw/zinc/75/90/62/640759062.db2.gz YDBTYISHNMUTGK-CQSZACIVSA-N -1 3 295.333 2.047 20 30 CEEDHM [O-]c1ccc(C=NNC[C@@H]2CCSC2)c(F)c1 ZINC000844596706 640780964 /nfs/dbraw/zinc/78/09/64/640780964.db2.gz MPHCFRBADXVGTC-VIFPVBQESA-N -1 3 254.330 2.208 20 30 CEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccs1 ZINC000126428970 650638399 /nfs/dbraw/zinc/63/83/99/650638399.db2.gz SNQOFBSDLOYAQD-VIFPVBQESA-N -1 3 271.301 2.104 20 30 CEEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1c(C)noc1C ZINC000846536473 641328727 /nfs/dbraw/zinc/32/87/27/641328727.db2.gz MPXWNDHHVKPQPC-VIFPVBQESA-N -1 3 252.314 2.409 20 30 CEEDHM C=C(C)CO[N-]C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000846540507 641330995 /nfs/dbraw/zinc/33/09/95/641330995.db2.gz YUIUWBKFMSKDRM-UHFFFAOYSA-N -1 3 287.319 2.293 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccccc1OC ZINC000846541249 641332619 /nfs/dbraw/zinc/33/26/19/641332619.db2.gz FNLZROKVYOEDIV-NSHDSACASA-N -1 3 265.309 2.086 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(OC)c1OC ZINC000846543946 641332951 /nfs/dbraw/zinc/33/29/51/641332951.db2.gz STDQNHNIQOZSOR-NSHDSACASA-N -1 3 279.336 2.259 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc2c(c1)OCCO2 ZINC000846544019 641333326 /nfs/dbraw/zinc/33/33/26/641333326.db2.gz UCHHZQCWPQSYKB-NSHDSACASA-N -1 3 277.320 2.013 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(OC)cc1 ZINC000846550361 641339840 /nfs/dbraw/zinc/33/98/40/641339840.db2.gz NGLISHYGEKGVRH-LLVKDONJSA-N -1 3 277.320 2.280 20 30 CEEDHM Cc1csc(NC(=O)[N-]OCC(F)F)c1C#N ZINC000847187301 641597746 /nfs/dbraw/zinc/59/77/46/641597746.db2.gz YIOOHBKIYUSTQT-UHFFFAOYSA-N -1 3 261.253 2.246 20 30 CEEDHM CC[C@@H](C)CCCCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135094 641902107 /nfs/dbraw/zinc/90/21/07/641902107.db2.gz JZLKBYMNVXGYJK-VXGBXAGGSA-N -1 3 270.373 2.089 20 30 CEEDHM C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848415634 641984148 /nfs/dbraw/zinc/98/41/48/641984148.db2.gz PAHQSJLGYMZOTG-LLVKDONJSA-N -1 3 287.363 2.196 20 30 CEEDHM C=CCCSCC/N=C\c1c([O-])c(C)ncc1CO ZINC000849169526 642277656 /nfs/dbraw/zinc/27/76/56/642277656.db2.gz DPQJATWYSSHRQT-DHDCSXOGSA-N -1 3 280.393 2.316 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2cscn2)c1[O-] ZINC000849170920 642278462 /nfs/dbraw/zinc/27/84/62/642278462.db2.gz WVKAIOQEGOAWAQ-QDPZXSOWSA-N -1 3 277.349 2.225 20 30 CEEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000921980433 642825437 /nfs/dbraw/zinc/82/54/37/642825437.db2.gz MMWFWUCYFUBMNK-CABZTGNLSA-N -1 3 277.299 2.023 20 30 CEEDHM CCN(CCO)N=Cc1cc(Cl)c(C)cc1[O-] ZINC000853367210 643756795 /nfs/dbraw/zinc/75/67/95/643756795.db2.gz YQYPDWVOMRVFPH-UHFFFAOYSA-N -1 3 256.733 2.002 20 30 CEEDHM C#CCOCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000853911836 643942064 /nfs/dbraw/zinc/94/20/64/643942064.db2.gz WIPIDGKCDFUBEX-UHFFFAOYSA-N -1 3 280.295 2.047 20 30 CEEDHM C=CCCO[N-]C(=O)CCc1nc2ccccc2o1 ZINC000856028386 644545583 /nfs/dbraw/zinc/54/55/83/644545583.db2.gz HEGMLJSHJUYBJR-UHFFFAOYSA-N -1 3 260.293 2.384 20 30 CEEDHM C=CCCO[N-]C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000856035476 644550730 /nfs/dbraw/zinc/55/07/30/644550730.db2.gz AKXZDKWRSURVII-CYBMUJFWSA-N -1 3 260.337 2.137 20 30 CEEDHM CCCNN=Cc1ccc(OC)c([O-])c1Br ZINC000761011009 645223170 /nfs/dbraw/zinc/22/31/70/645223170.db2.gz GTMRBGIUXIVVGC-UHFFFAOYSA-N -1 3 287.157 2.497 20 30 CEEDHM COc1cc(F)ccc1NN=Cc1ccc([O-])cn1 ZINC000761891578 645334582 /nfs/dbraw/zinc/33/45/82/645334582.db2.gz ZMMASTLKEZCWSC-UHFFFAOYSA-N -1 3 261.256 2.381 20 30 CEEDHM O=c1nc(C=N[O-])ccn1Cc1ccc(C(F)F)cc1 ZINC000763425821 645545292 /nfs/dbraw/zinc/54/52/92/645545292.db2.gz HNSYVHZCDFPNCM-UHFFFAOYSA-N -1 3 279.246 2.037 20 30 CEEDHM C=CC[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000860901534 645939406 /nfs/dbraw/zinc/93/94/06/645939406.db2.gz SCMJPZKMVLZZOK-JTQLQIEISA-N -1 3 283.349 2.180 20 30 CEEDHM CC(N=Nc1ncc(F)cn1)c1sccc1[O-] ZINC000769800528 646318822 /nfs/dbraw/zinc/31/88/22/646318822.db2.gz VSWRYEJBHDCKJT-UHFFFAOYSA-N -1 3 252.274 2.219 20 30 CEEDHM CC(=NNCC(F)(F)F)c1cc(F)ccc1[O-] ZINC000769821119 646322260 /nfs/dbraw/zinc/32/22/60/646322260.db2.gz HPGJMKLEGRBXKK-UHFFFAOYSA-N -1 3 250.195 2.407 20 30 CEEDHM CC(=NNCC(C)(C)O)c1cc(Cl)ccc1[O-] ZINC000863140251 646654280 /nfs/dbraw/zinc/65/42/80/646654280.db2.gz GTVPNAPTVLHUMQ-UHFFFAOYSA-N -1 3 256.733 2.130 20 30 CEEDHM Cn1[n-]ccc1=NN=C1CC(C)(c2ccccc2)C1 ZINC000774412632 646843026 /nfs/dbraw/zinc/84/30/26/646843026.db2.gz STGXFDFTZFKPFX-UHFFFAOYSA-N -1 3 254.337 2.362 20 30 CEEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(Cl)cn2)c1[O-] ZINC000775632853 646974250 /nfs/dbraw/zinc/97/42/50/646974250.db2.gz ARWFDXFVENJPFA-FRKPEAEDSA-N -1 3 291.738 2.255 20 30 CEEDHM CC(N=Nc1cc(Cl)nc(N)n1)c1ccc(F)cc1[O-] ZINC000778543958 647240522 /nfs/dbraw/zinc/24/05/22/647240522.db2.gz AHSVBTISOZVMTG-UHFFFAOYSA-N -1 3 295.705 2.393 20 30 CEEDHM N#Cc1ccc(SCc2nc3c(c(=O)[n-]2)COCC3)cc1 ZINC000865353569 647255228 /nfs/dbraw/zinc/25/52/28/647255228.db2.gz GXASMNVJHWXXPV-UHFFFAOYSA-N -1 3 299.355 2.419 20 30 CEEDHM C=C(Cl)C[C@@H]([N-]C(=O)C(F)(F)CC)C(=O)OCC ZINC000870035342 648686047 /nfs/dbraw/zinc/68/60/47/648686047.db2.gz IKFDEILOXSPVDH-MRVPVSSYSA-N -1 3 283.702 2.222 20 30 CEEDHM N#CC1([N-]C(=O)C(F)(F)Cc2ccccc2)CC1 ZINC000793520147 648768850 /nfs/dbraw/zinc/76/88/50/648768850.db2.gz XYOXRVFGIBYQNZ-UHFFFAOYSA-N -1 3 250.248 2.037 20 30 CEEDHM CC(C)(C)NC(=S)NN=Cc1c(F)ccc([O-])c1F ZINC000794481852 648871563 /nfs/dbraw/zinc/87/15/63/648871563.db2.gz MDMFRWFQCAINNW-UHFFFAOYSA-N -1 3 287.335 2.267 20 30 CEEDHM C[C@H](CC#N)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000874251057 649757833 /nfs/dbraw/zinc/75/78/33/649757833.db2.gz JXYBDVWMEQQYNP-SSDOTTSWSA-N -1 3 274.217 2.475 20 30 CEEDHM CCC(C)(C)OCC/N=C\c1c([O-])c(C)ncc1CO ZINC000840709047 805907224 /nfs/dbraw/zinc/90/72/24/805907224.db2.gz HDDGSELSQGCROG-SXGWCWSVSA-N -1 3 280.368 2.212 20 30 CEEDHM CC[C@@H](NCc1nn(CC)nc1C)c1cccc(C#N)c1[O-] ZINC000926610304 803476084 /nfs/dbraw/zinc/47/60/84/803476084.db2.gz BYKFPFOQFXDMPA-CQSZACIVSA-N -1 3 299.378 2.425 20 30 CEEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)CC(OC)OC ZINC001233803260 807475077 /nfs/dbraw/zinc/47/50/77/807475077.db2.gz MCBIMSJJFXCXOS-KXUVPBGPSA-N -1 3 283.324 2.280 20 30 CEEDHM C=C(C)C[C@@H](NCc1nc(Cl)cs1)C(=O)[O-] ZINC001119602816 815135998 /nfs/dbraw/zinc/13/59/98/815135998.db2.gz ZVBCHSIVJGWKCI-SSDOTTSWSA-N -1 3 260.746 2.306 20 30 CEEDHM C#CCCCCNC(=O)NCc1c([O-])cccc1F ZINC000921441446 808058251 /nfs/dbraw/zinc/05/82/51/808058251.db2.gz JGGSTHQOPMEPPO-UHFFFAOYSA-N -1 3 264.300 2.134 20 30 CEEDHM C[C@@H](C#N)CNCc1c([O-])cccc1Br ZINC000706829126 809855271 /nfs/dbraw/zinc/85/52/71/809855271.db2.gz LTPMREGECOEBIB-QMMMGPOBSA-N -1 3 269.142 2.404 20 30 CEEDHM Cc1noc([N-]C(=O)[C@@H](O)c2cccc(Cl)c2)c1C#N ZINC001144815972 814188418 /nfs/dbraw/zinc/18/84/18/814188418.db2.gz UBIQWQQKDYTJRQ-NSHDSACASA-N -1 3 291.694 2.180 20 30 CEEDHM C#CCO[N-]C(=O)/C=C/Sc1cc(F)ccc1F ZINC001147035652 814363837 /nfs/dbraw/zinc/36/38/37/814363837.db2.gz QLZNUTSQHZYTQU-FNORWQNLSA-N -1 3 269.272 2.252 20 30 CEEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cncnc1 ZINC001147426210 814436990 /nfs/dbraw/zinc/43/69/90/814436990.db2.gz LUQVRCIKHWNRFV-UHFFFAOYSA-N -1 3 264.244 2.347 20 30 CEEDHM N#CCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001148219249 814537642 /nfs/dbraw/zinc/53/76/42/814537642.db2.gz YMMIOQQHBVCJMT-UHFFFAOYSA-N -1 3 282.299 2.264 20 30 CEEDHM C[C@@H](C#N)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC001148621905 814596182 /nfs/dbraw/zinc/59/61/82/814596182.db2.gz HJGIIVVHHWUTLJ-NSHDSACASA-N -1 3 281.315 2.344 20 30 CEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(Br)cc1 ZINC001171364824 814664783 /nfs/dbraw/zinc/66/47/83/814664783.db2.gz BLFLSZOXGQWEDO-XVKPBYJWSA-N -1 3 285.141 2.097 20 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CCCOc1ccc(/C=N/[C@H](C)C(=O)OC)c([O-])c1 ZINC000155071486 261097987 /nfs/dbraw/zinc/09/79/87/261097987.db2.gz BALSDTGQTAXTNC-KXUVPBGPSA-N -1 3 265.309 2.161 20 30 CEEDHM C#CCN(CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1 ZINC000491071903 261316610 /nfs/dbraw/zinc/31/66/10/261316610.db2.gz OJEZRGJJNOMWES-UHFFFAOYSA-N -1 3 298.308 2.190 20 30 CEEDHM CO[C@]1(C)C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000174033402 261554505 /nfs/dbraw/zinc/55/45/05/261554505.db2.gz JASACKYBDITMCU-QLQBFJNESA-N -1 3 279.336 2.426 20 30 CEEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC#N)c2)n1 ZINC000364105206 262145802 /nfs/dbraw/zinc/14/58/02/262145802.db2.gz VNZBEBLFWYGNHK-UHFFFAOYSA-N -1 3 282.303 2.264 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)CC[C@H](C)NC(=O)OC(C)(C)C ZINC000496601824 262349201 /nfs/dbraw/zinc/34/92/01/262349201.db2.gz ZDLHHAFHJXGIRZ-QWRGUYRKSA-N -1 3 286.372 2.302 20 30 CEEDHM Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c([O-])c1O ZINC000272708535 263008391 /nfs/dbraw/zinc/00/83/91/263008391.db2.gz DAMKYOBYQQHHEZ-JTQLQIEISA-N 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598644042 /nfs/dbraw/zinc/64/40/42/598644042.db2.gz HFVGDRIWFWWJJK-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1ccc(OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737721124 598644044 /nfs/dbraw/zinc/64/40/44/598644044.db2.gz HFVGDRIWFWWJJK-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC1(CC#N)CC1 ZINC000826251874 607400985 /nfs/dbraw/zinc/40/09/85/607400985.db2.gz DVRMRPIUTAMSJU-UHFFFAOYSA-N -1 3 297.318 2.026 20 30 CEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC1(CC#N)CC1 ZINC000826251874 607400987 /nfs/dbraw/zinc/40/09/87/607400987.db2.gz DVRMRPIUTAMSJU-UHFFFAOYSA-N -1 3 297.318 2.026 20 30 CEEDHM COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832553955 601297668 /nfs/dbraw/zinc/29/76/68/601297668.db2.gz JNSBHWHCOLPAPF-MRXNPFEDSA-N -1 3 296.326 2.482 20 30 CEEDHM C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739179346 602779387 /nfs/dbraw/zinc/77/93/87/602779387.db2.gz BFCROMMFRAJOHY-SMDDNHRTSA-N -1 3 273.336 2.036 20 30 CEEDHM CC(C)[C@@H](CNCc1ccc(C#N)s1)NC(=O)[O-] ZINC000824123049 604166221 /nfs/dbraw/zinc/16/62/21/604166221.db2.gz MYJAYRVRZJBIKA-LLVKDONJSA-N -1 3 267.354 2.002 20 30 CEEDHM C=C(Br)CN(C)C1(C(=O)[O-])CCCC1 ZINC000389295931 604959910 /nfs/dbraw/zinc/95/99/10/604959910.db2.gz GIEICKRUBWDJNT-UHFFFAOYSA-N -1 3 262.147 2.224 20 30 CEEDHM N#C[C@@H]1CCC[C@H]1NCC[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833964080 605983602 /nfs/dbraw/zinc/98/36/02/605983602.db2.gz YZVOVYNPPKNMJE-RWMBFGLXSA-N -1 3 265.357 2.048 20 30 CEEDHM C#CC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819692771 606135265 /nfs/dbraw/zinc/13/52/65/606135265.db2.gz KPHWDAMMSARSAQ-CYBMUJFWSA-N -1 3 284.319 2.071 20 30 CEEDHM C#CC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819692771 606135267 /nfs/dbraw/zinc/13/52/67/606135267.db2.gz KPHWDAMMSARSAQ-CYBMUJFWSA-N -1 3 284.319 2.071 20 30 CEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccnc1 ZINC000822923779 606303040 /nfs/dbraw/zinc/30/30/40/606303040.db2.gz UGISTECEVIUXGW-ONEGZZNKSA-N -1 3 283.316 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2.471 20 30 CEEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000581110218 336009630 /nfs/dbraw/zinc/00/96/30/336009630.db2.gz HAIWREXEVPAUOA-UHFFFAOYSA-N -1 3 291.159 2.328 20 30 CEEDHM Cc1cnc(C(C)(C)NC(=O)C[C@@H]2NC(=O)[N-]C2=O)s1 ZINC000329204045 534534458 /nfs/dbraw/zinc/53/44/58/534534458.db2.gz YSJMNFFBSBLYGL-ZETCQYMHSA-N -1 3 296.352 2.286 20 30 CEEDHM Cc1nc(C(=O)[N-]c2nnc(C(F)F)s2)ccc1C#N ZINC000067551785 526658735 /nfs/dbraw/zinc/65/87/35/526658735.db2.gz UKBXBXHJGTWXNF-UHFFFAOYSA-N -1 3 295.274 2.303 20 30 CEEDHM CC(C)CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000178506370 527704856 /nfs/dbraw/zinc/70/48/56/527704856.db2.gz PNHLXRRFONEAGB-UHFFFAOYSA-N -1 3 284.356 2.412 20 30 CEEDHM COc1cc(C=NNC2CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000727651683 574454091 /nfs/dbraw/zinc/45/40/91/574454091.db2.gz LIAMYDXXOGIAMW-UHFFFAOYSA-N -1 3 279.296 2.175 20 30 CEEDHM Cc1ncc(CO)c(C=Nc2ccc(F)c(C#N)c2)c1[O-] ZINC000728174500 574461892 /nfs/dbraw/zinc/46/18/92/574461892.db2.gz UOMCYSXAKBXMCT-UHFFFAOYSA-N 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ZYRANFGQNOZDHQ-UHFFFAOYSA-N -1 3 260.276 2.112 20 30 CEEDHM N#Cc1cccc(CNCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737731022 574844260 /nfs/dbraw/zinc/84/42/60/574844260.db2.gz VTNAAPTTXFTNCM-UHFFFAOYSA-N -1 3 290.330 2.028 20 30 CEEDHM Oc1cccc(C=Nc2ccc(F)c(-c3nnn[n-]3)c2)c1O ZINC000738400796 574861032 /nfs/dbraw/zinc/86/10/32/574861032.db2.gz JXJIFGNRLAFHNO-UHFFFAOYSA-N -1 3 299.265 2.168 20 30 CEEDHM Oc1cccc(C=Nc2ccc(F)c(-c3nn[n-]n3)c2)c1O ZINC000738400796 574861033 /nfs/dbraw/zinc/86/10/33/574861033.db2.gz JXJIFGNRLAFHNO-UHFFFAOYSA-N -1 3 299.265 2.168 20 30 CEEDHM C[C@H](C#N)Oc1ccc(CNC(C)(C)CNC(=O)[O-])cc1 ZINC000738605722 574870056 /nfs/dbraw/zinc/87/00/56/574870056.db2.gz WXWICRATIMSLRY-LLVKDONJSA-N -1 3 291.351 2.113 20 30 CEEDHM C[C@@](CNC(=O)[O-])(NCc1ccc(C#N)cc1)C1CC1 ZINC000738924762 574885841 /nfs/dbraw/zinc/88/58/41/574885841.db2.gz MCMVUGQRMKDCME-HNNXBMFYSA-N -1 3 273.336 2.084 20 30 CEEDHM [O-]c1c(O)ccc(/C=N/C[C@@H]2COc3ccccc3C2)c1O ZINC000747713195 575174047 /nfs/dbraw/zinc/17/40/47/575174047.db2.gz QCCXOKUZMQYSHX-PBFYJAPKSA-N -1 3 299.326 2.474 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2ccncc2)c1[O-] ZINC000749844066 575237221 /nfs/dbraw/zinc/23/72/21/575237221.db2.gz GSKHZNCMULCMNR-HCGGYXKBSA-N -1 3 285.347 2.033 20 30 CEEDHM C=C(C)CN(CC)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819722510 607303522 /nfs/dbraw/zinc/30/35/22/607303522.db2.gz LCCQQOOHXJMLNP-UHFFFAOYSA-N -1 3 261.304 2.408 20 30 CEEDHM C=C(C)CN(CC)c1ccc(F)cc1-c1nn[n-]n1 ZINC000819722510 607303523 /nfs/dbraw/zinc/30/35/23/607303523.db2.gz LCCQQOOHXJMLNP-UHFFFAOYSA-N -1 3 261.304 2.408 20 30 CEEDHM Cc1cn(Cc2ccc(F)cc2C#N)cc1-c1nnn[n-]1 ZINC000822384038 607329543 /nfs/dbraw/zinc/32/95/43/607329543.db2.gz FIFSVCGXXWQSJP-UHFFFAOYSA-N -1 3 282.282 2.036 20 30 CEEDHM Cc1cn(Cc2ccc(F)cc2C#N)cc1-c1nn[n-]n1 ZINC000822384038 607329544 /nfs/dbraw/zinc/32/95/44/607329544.db2.gz FIFSVCGXXWQSJP-UHFFFAOYSA-N -1 3 282.282 2.036 20 30 CEEDHM CC[C@H](C)[C@H](NCC#Cc1ccc(F)cc1)C(=O)[O-] ZINC000820459606 598187949 /nfs/dbraw/zinc/18/79/49/598187949.db2.gz IVNJDMBKSGOMFK-FZMZJTMJSA-N -1 3 263.312 2.266 20 30 CEEDHM CC(C)[C@@H](NCC#Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000820041382 598188224 /nfs/dbraw/zinc/18/82/24/598188224.db2.gz FQQRRGOTTTXBQJ-CYBMUJFWSA-N -1 3 265.740 2.390 20 30 CEEDHM N#Cc1cccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737730465 598550971 /nfs/dbraw/zinc/55/09/71/598550971.db2.gz LEOMJNAXIVIERU-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1cccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737730465 598550972 /nfs/dbraw/zinc/55/09/72/598550972.db2.gz LEOMJNAXIVIERU-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM C=CCNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819750914 607371937 /nfs/dbraw/zinc/37/19/37/607371937.db2.gz KAGNXPHFGNYWFY-UHFFFAOYSA-N -1 3 259.313 2.252 20 30 CEEDHM C=CCNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819750914 607371939 /nfs/dbraw/zinc/37/19/39/607371939.db2.gz KAGNXPHFGNYWFY-UHFFFAOYSA-N -1 3 259.313 2.252 20 30 CEEDHM CCN(CC#Cc1ccc(Cl)cc1)CCC(=O)[O-] ZINC000829618478 601414605 /nfs/dbraw/zinc/41/46/05/601414605.db2.gz BTTMOXUAWNOEKN-UHFFFAOYSA-N -1 3 265.740 2.488 20 30 CEEDHM CN(Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833696963 604858364 /nfs/dbraw/zinc/85/83/64/604858364.db2.gz ZKNBFXWKGFBJEQ-HNNXBMFYSA-N -1 3 281.315 2.211 20 30 CEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000103623515 606810371 /nfs/dbraw/zinc/81/03/71/606810371.db2.gz AUBYRXXINOYGES-VMPITWQZSA-N -1 3 266.260 2.356 20 30 CEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000103623515 606810372 /nfs/dbraw/zinc/81/03/72/606810372.db2.gz AUBYRXXINOYGES-VMPITWQZSA-N -1 3 266.260 2.356 20 30 CEEDHM COCc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821695269 606989171 /nfs/dbraw/zinc/98/91/71/606989171.db2.gz PYKIPBIWNIZTBP-UHFFFAOYSA-N -1 3 298.306 2.052 20 30 CEEDHM COCc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821695269 606989173 /nfs/dbraw/zinc/98/91/73/606989173.db2.gz PYKIPBIWNIZTBP-UHFFFAOYSA-N -1 3 298.306 2.052 20 30 CEEDHM N#Cc1cccc(Oc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826387449 607902517 /nfs/dbraw/zinc/90/25/17/607902517.db2.gz VUADVNGZBCNQLZ-UHFFFAOYSA-N -1 3 282.238 2.065 20 30 CEEDHM N#Cc1cccc(Oc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826387449 607902518 /nfs/dbraw/zinc/90/25/18/607902518.db2.gz VUADVNGZBCNQLZ-UHFFFAOYSA-N -1 3 282.238 2.065 20 30 CEEDHM C=CCC[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823893993 608275081 /nfs/dbraw/zinc/27/50/81/608275081.db2.gz DGQJEDGYUOAJQL-QMMMGPOBSA-N -1 3 278.337 2.440 20 30 CEEDHM C=CCC[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823893993 608275082 /nfs/dbraw/zinc/27/50/82/608275082.db2.gz DGQJEDGYUOAJQL-QMMMGPOBSA-N -1 3 278.337 2.440 20 30 CEEDHM C=CC[C@@H](CO)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823888894 608411507 /nfs/dbraw/zinc/41/15/07/608411507.db2.gz ZSMDMRSWCJTERH-SECBINFHSA-N -1 3 293.758 2.117 20 30 CEEDHM C=CC[C@@H](CO)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823888894 608411510 /nfs/dbraw/zinc/41/15/10/608411510.db2.gz ZSMDMRSWCJTERH-SECBINFHSA-N -1 3 293.758 2.117 20 30 CEEDHM N#Cc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387321 608479602 /nfs/dbraw/zinc/47/96/02/608479602.db2.gz PMXFOGFZXNTGRP-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387321 608479604 /nfs/dbraw/zinc/47/96/04/608479604.db2.gz PMXFOGFZXNTGRP-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM C#CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000823842186 609133216 /nfs/dbraw/zinc/13/32/16/609133216.db2.gz YRBZEDUOEGRVLD-UHFFFAOYSA-N -1 3 298.346 2.494 20 30 CEEDHM C#CCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000823842186 609133217 /nfs/dbraw/zinc/13/32/17/609133217.db2.gz YRBZEDUOEGRVLD-UHFFFAOYSA-N -1 3 298.346 2.494 20 30 CEEDHM C=C(C)CN(C)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823878246 609317573 /nfs/dbraw/zinc/31/75/73/609317573.db2.gz UBBRYFJRRDBELA-UHFFFAOYSA-N -1 3 284.367 2.153 20 30 CEEDHM C=C(C)CN(C)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823878246 609317575 /nfs/dbraw/zinc/31/75/75/609317575.db2.gz UBBRYFJRRDBELA-UHFFFAOYSA-N -1 3 284.367 2.153 20 30 CEEDHM Clc1cc(NN=Cc2ccc[nH]2)ccc1-c1nnn[n-]1 ZINC000826351600 609471643 /nfs/dbraw/zinc/47/16/43/609471643.db2.gz SGGJGHRBTFQGNZ-UHFFFAOYSA-N -1 3 287.714 2.294 20 30 CEEDHM Clc1cc(NN=Cc2ccc[nH]2)ccc1-c1nn[n-]n1 ZINC000826351600 609471644 /nfs/dbraw/zinc/47/16/44/609471644.db2.gz SGGJGHRBTFQGNZ-UHFFFAOYSA-N -1 3 287.714 2.294 20 30 CEEDHM C#CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000779901899 609505454 /nfs/dbraw/zinc/50/54/54/609505454.db2.gz MYEKGZHDYBYCQO-UHFFFAOYSA-N -1 3 283.335 2.389 20 30 CEEDHM C#CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000779901899 609505457 /nfs/dbraw/zinc/50/54/57/609505457.db2.gz MYEKGZHDYBYCQO-UHFFFAOYSA-N -1 3 283.335 2.389 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C ZINC000846548890 623393442 /nfs/dbraw/zinc/39/34/42/623393442.db2.gz LVEFWNQNKPKKBY-WCQGTBRESA-N -1 3 253.342 2.250 20 30 CEEDHM C#C[C@@H](C)NCc1cccc([O-])c1Br ZINC000306330812 623490235 /nfs/dbraw/zinc/49/02/35/623490235.db2.gz OSMOLYKVVAVZKO-MRVPVSSYSA-N -1 3 254.127 2.266 20 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294.399 2.223 20 30 CEEDHM N#Cc1ccc(C2CCN(c3cc(=O)[n-]cn3)CC2)cc1 ZINC000896864662 630696415 /nfs/dbraw/zinc/69/64/15/630696415.db2.gz LXDHHCBCQYDISB-UHFFFAOYSA-N -1 3 280.331 2.438 20 30 CEEDHM C=CCN1CC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000798576593 630895335 /nfs/dbraw/zinc/89/53/35/630895335.db2.gz XXPDAOZABKPSEY-NSHDSACASA-N -1 3 290.344 2.173 20 30 CEEDHM CCCCN([O-])C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000904212092 635520833 /nfs/dbraw/zinc/52/08/33/635520833.db2.gz IYCLTVKKJZUMSG-UHFFFAOYSA-N -1 3 266.297 2.464 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000839906199 631134031 /nfs/dbraw/zinc/13/40/31/631134031.db2.gz HRYOHUBCRNXANN-UHFFFAOYSA-N -1 3 273.308 2.243 20 30 CEEDHM C#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C(C)(C)C ZINC000807878005 631880796 /nfs/dbraw/zinc/88/07/96/631880796.db2.gz DLCHICNTCZRXAR-GFCCVEGCSA-N -1 3 283.331 2.113 20 30 CEEDHM CC#CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898095880 632061256 /nfs/dbraw/zinc/06/12/56/632061256.db2.gz 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/nfs/dbraw/zinc/24/84/88/366248488.db2.gz HMZRMSQFYXNMIO-UHFFFAOYSA-N -1 3 269.275 2.313 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000578007031 366429112 /nfs/dbraw/zinc/42/91/12/366429112.db2.gz GULVTCWIDOIKOI-DZGCQCFKSA-N -1 3 299.374 2.123 20 30 CEEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000116905219 365079257 /nfs/dbraw/zinc/07/92/57/365079257.db2.gz AJVPJDBBUSEWNI-MRVPVSSYSA-N -1 3 261.293 2.208 20 30 CEEDHM COCc1cncc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000680934721 541475595 /nfs/dbraw/zinc/47/55/95/541475595.db2.gz SIWZXJVXKGUMFE-AWEZNQCLSA-N -1 3 296.330 2.125 20 30 CEEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1conc1C ZINC000632545251 367833243 /nfs/dbraw/zinc/83/32/43/367833243.db2.gz ZKISEFFYQUGZQV-VXGBXAGGSA-N -1 3 284.381 2.396 20 30 CEEDHM C=CCOCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000345157418 368175177 /nfs/dbraw/zinc/17/51/77/368175177.db2.gz KDUDWUVDPVUTJU-LLVKDONJSA-N -1 3 261.321 2.435 20 30 CEEDHM Cc1nn(C)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000345404961 368263661 /nfs/dbraw/zinc/26/36/61/368263661.db2.gz VMLUIZHCZXOHRT-NSHDSACASA-N -1 3 293.330 2.403 20 30 CEEDHM CN(C(=O)c1cccc2nn[n-]c21)c1cccc(C#N)c1 ZINC000187486901 369167801 /nfs/dbraw/zinc/16/78/01/369167801.db2.gz ILGSDPDXNVOHIV-UHFFFAOYSA-N -1 3 277.287 2.106 20 30 CEEDHM CN(C(=O)c1cccc2[n-]nnc21)c1cccc(C#N)c1 ZINC000187486901 369167806 /nfs/dbraw/zinc/16/78/06/369167806.db2.gz ILGSDPDXNVOHIV-UHFFFAOYSA-N -1 3 277.287 2.106 20 30 CEEDHM CN(C(=O)c1cccc2n[n-]nc21)c1cccc(C#N)c1 ZINC000187486901 369167809 /nfs/dbraw/zinc/16/78/09/369167809.db2.gz ILGSDPDXNVOHIV-UHFFFAOYSA-N -1 3 277.287 2.106 20 30 CEEDHM C=CCCN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000276211191 193244458 /nfs/dbraw/zinc/24/44/58/193244458.db2.gz CDMLSUGEVDYWAP-UHFFFAOYSA-N -1 3 287.363 2.243 20 30 CEEDHM C=CCCS(=O)(=O)[N-]c1cnc([C@H](C)CC)nc1 ZINC000358491111 371089269 /nfs/dbraw/zinc/08/92/69/371089269.db2.gz FQVUIFUEMPDANP-SNVBAGLBSA-N -1 3 269.370 2.308 20 30 CEEDHM COc1cncc(C(=O)[N-]c2sc(C)c(C)c2C#N)n1 ZINC000362478397 372380919 /nfs/dbraw/zinc/38/09/19/372380919.db2.gz BTWXFGPAUBCPHO-UHFFFAOYSA-N -1 3 288.332 2.288 20 30 CEEDHM N#Cc1cnccc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000344479071 217203917 /nfs/dbraw/zinc/20/39/17/217203917.db2.gz ZAWQHQVBBDZOOW-UHFFFAOYSA-N -1 3 290.282 2.282 20 30 CEEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000277805881 374652278 /nfs/dbraw/zinc/65/22/78/374652278.db2.gz WYSJADCTYBDPJS-ZETCQYMHSA-N -1 3 263.771 2.010 20 30 CEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1nc(C)ccc1[O-] ZINC000280034530 375068392 /nfs/dbraw/zinc/06/83/92/375068392.db2.gz FTMKKTXZTMRNQR-AWEZNQCLSA-N -1 3 264.325 2.263 20 30 CEEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1sc(C)nc1C ZINC000281429349 375379501 /nfs/dbraw/zinc/37/95/01/375379501.db2.gz GJCXFMAPEJZBEO-SNVBAGLBSA-N -1 3 274.411 2.393 20 30 CEEDHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000313249739 376742030 /nfs/dbraw/zinc/74/20/30/376742030.db2.gz XFYINLVDZXXQEG-UHFFFAOYSA-N -1 3 295.408 2.304 20 30 CEEDHM C=C[C@@H](CC(=O)[N-]OCCCC(=O)OC)c1ccccc1 ZINC000290728679 376898583 /nfs/dbraw/zinc/89/85/83/376898583.db2.gz SFYZCWRXRSDZGC-ZDUSSCGKSA-N -1 3 291.347 2.347 20 30 CEEDHM C#CCO[N-]C(=O)CCCCCCNC(=O)OC(C)(C)C ZINC000291060322 377055491 /nfs/dbraw/zinc/05/54/91/377055491.db2.gz JVCZHCABOXCMPG-UHFFFAOYSA-N -1 3 298.383 2.143 20 30 CEEDHM C#CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000264954515 190147875 /nfs/dbraw/zinc/14/78/75/190147875.db2.gz LWGPTIYZARXNMJ-UHFFFAOYSA-N -1 3 295.257 2.146 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-][C@@](C)(CCC)C(=O)OC ZINC000294697545 378014592 /nfs/dbraw/zinc/01/45/92/378014592.db2.gz UFDMYACGMSSRBZ-NSHDSACASA-N -1 3 263.284 2.046 20 30 CEEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1CCO[C@H](C)C1 ZINC000447286968 378099244 /nfs/dbraw/zinc/09/92/44/378099244.db2.gz LOZOBBBFBAHFMK-ZJUUUORDSA-N -1 3 269.370 2.077 20 30 CEEDHM CCOc1nc2cc(C(=O)NCCCCC#N)ccc2[n-]1 ZINC000449843165 378236725 /nfs/dbraw/zinc/23/67/25/378236725.db2.gz HCXXMDGBVDPDBH-UHFFFAOYSA-N 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IVDTWGBWHYRHFO-UHFFFAOYSA-N -1 3 299.359 2.244 20 30 CEEDHM C[C@H]1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCC1=O ZINC000328922551 394557325 /nfs/dbraw/zinc/55/73/25/394557325.db2.gz MPIATYQIGJMMMC-NTSWFWBYSA-N -1 3 290.245 2.417 20 30 CEEDHM C[C@H]1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCC1=O ZINC000328922551 394557326 /nfs/dbraw/zinc/55/73/26/394557326.db2.gz MPIATYQIGJMMMC-NTSWFWBYSA-N -1 3 290.245 2.417 20 30 CEEDHM CC(C)(C)n1cnc([N-]C(=O)c2cn3ccnc3s2)n1 ZINC000329820004 394588529 /nfs/dbraw/zinc/58/85/29/394588529.db2.gz GJWSGFJPMRFRSO-UHFFFAOYSA-N -1 3 290.352 2.379 20 30 CEEDHM C[C@@H]1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCC1=O ZINC000328922552 394556775 /nfs/dbraw/zinc/55/67/75/394556775.db2.gz MPIATYQIGJMMMC-PHDIDXHHSA-N -1 3 290.245 2.417 20 30 CEEDHM C[C@@H]1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCC1=O ZINC000328922552 394556779 /nfs/dbraw/zinc/55/67/79/394556779.db2.gz MPIATYQIGJMMMC-PHDIDXHHSA-N -1 3 290.245 2.417 20 30 CEEDHM CC1(C)CCC[C@@](O)(CNC(=O)c2csc(=O)[n-]2)C1 ZINC000329929120 394595784 /nfs/dbraw/zinc/59/57/84/394595784.db2.gz NCNXDPQBAOVNBD-ZDUSSCGKSA-N -1 3 284.381 2.485 20 30 CEEDHM Cc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)c([O-])c1C ZINC000335110707 394738329 /nfs/dbraw/zinc/73/83/29/394738329.db2.gz PEIYHXYJVNWIGI-NWDGAFQWSA-N -1 3 258.321 2.431 20 30 CEEDHM Cc1cccc(F)c1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000335621323 394782385 /nfs/dbraw/zinc/78/23/85/394782385.db2.gz KNKANVINTXXDFV-UHFFFAOYSA-N -1 3 282.340 2.106 20 30 CEEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000135134537 394963663 /nfs/dbraw/zinc/96/36/63/394963663.db2.gz YSWGJEBUFFWMFD-AWEZNQCLSA-N -1 3 273.340 2.351 20 30 CEEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000135134537 394963667 /nfs/dbraw/zinc/96/36/67/394963667.db2.gz YSWGJEBUFFWMFD-AWEZNQCLSA-N -1 3 273.340 2.351 20 30 CEEDHM C=C(C)CC[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416494086 395063167 /nfs/dbraw/zinc/06/31/67/395063167.db2.gz JFIWWRMPJGSBIP-NSHDSACASA-N -1 3 283.397 2.025 20 30 CEEDHM C=C(C)C[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352990821 395282550 /nfs/dbraw/zinc/28/25/50/395282550.db2.gz OMDPZOPGIOLNBB-CMPLNLGQSA-N -1 3 263.341 2.224 20 30 CEEDHM C=CCOc1cccnc1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC000354324956 395327021 /nfs/dbraw/zinc/32/70/21/395327021.db2.gz DKETWBSIJSYJNT-UHFFFAOYSA-N -1 3 299.334 2.284 20 30 CEEDHM N#CC(=C([O-])c1ccc(-n2cccn2)cc1)c1ccncn1 ZINC000354403313 395330057 /nfs/dbraw/zinc/33/00/57/395330057.db2.gz GYQQZUZVIKXGIS-CQSZACIVSA-N -1 3 289.298 2.152 20 30 CEEDHM CC(=O)c1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1[O-] ZINC000412217536 395351401 /nfs/dbraw/zinc/35/14/01/395351401.db2.gz QIBLWEYXNBMQIU-JTQLQIEISA-N -1 3 286.331 2.359 20 30 CEEDHM C=CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444000168 395410648 /nfs/dbraw/zinc/41/06/48/395410648.db2.gz FREFLQDLQYPEGQ-UHFFFAOYSA-N -1 3 283.246 2.309 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000452046379 395626063 /nfs/dbraw/zinc/62/60/63/395626063.db2.gz VZJVKJXAQNRAEX-UHFFFAOYSA-N -1 3 284.768 2.456 20 30 CEEDHM C=CCn1c(=O)[n-]nc1SCCC[C@@H]1CCOC1 ZINC000647118457 396412799 /nfs/dbraw/zinc/41/27/99/396412799.db2.gz YPMYOAKSHTVWNS-SNVBAGLBSA-N -1 3 269.370 2.079 20 30 CEEDHM CSc1nnc(NC(=O)[C@H](C)c2cccc(C#N)c2)[n-]1 ZINC000360138012 155226010 /nfs/dbraw/zinc/22/60/10/155226010.db2.gz ZAPVEPDTFPOMEG-MRVPVSSYSA-N -1 3 287.348 2.140 20 30 CEEDHM CSc1n[n-]c(NC(=O)[C@H](C)c2cccc(C#N)c2)n1 ZINC000360138012 155226014 /nfs/dbraw/zinc/22/60/14/155226014.db2.gz ZAPVEPDTFPOMEG-MRVPVSSYSA-N -1 3 287.348 2.140 20 30 CEEDHM CSc1nc(NC(=O)[C@H](C)c2cccc(C#N)c2)n[n-]1 ZINC000360138012 155226016 /nfs/dbraw/zinc/22/60/16/155226016.db2.gz ZAPVEPDTFPOMEG-MRVPVSSYSA-N -1 3 287.348 2.140 20 30 CEEDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230340345 153390959 /nfs/dbraw/zinc/39/09/59/153390959.db2.gz UCNAVOLEDKISPD-WCBMZHEXSA-N -1 3 270.379 2.087 20 30 CEEDHM COc1ccc(C#N)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000352786735 154337061 /nfs/dbraw/zinc/33/70/61/154337061.db2.gz AWYLGADMTUNXPY-UHFFFAOYSA-N -1 3 293.286 2.090 20 30 CEEDHM C=CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)COC ZINC000661240888 415152441 /nfs/dbraw/zinc/15/24/41/415152441.db2.gz SOWHQWLLBBLZRT-NSHDSACASA-N -1 3 277.368 2.083 20 30 CEEDHM CC(=O)c1ccc(C(=O)N2CCC[C@](C)(C#N)C2)cc1[O-] ZINC000665422925 415737139 /nfs/dbraw/zinc/73/71/39/415737139.db2.gz OFYAVWUQZBUXRW-MRXNPFEDSA-N -1 3 286.331 2.361 20 30 CEEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1ccccn1 ZINC000355098177 227395596 /nfs/dbraw/zinc/39/55/96/227395596.db2.gz LBCILHKFGTYQMD-LLVKDONJSA-N -1 3 289.298 2.357 20 30 CEEDHM Cc1cccc2c1[n-]cc(C(=O)N[C@H]1CCC[C@@H]1C#N)c2=O ZINC000332160134 228150377 /nfs/dbraw/zinc/15/03/77/228150377.db2.gz NNIVNXJOKBUJHJ-RISCZKNCSA-N -1 3 295.342 2.259 20 30 CEEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000667737618 419788833 /nfs/dbraw/zinc/78/88/33/419788833.db2.gz RCDLLFYWWRAXFZ-AWEZNQCLSA-N -1 3 260.293 2.017 20 30 CEEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000193310682 262220453 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COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)c([O-])c1 ZINC000601819286 346908768 /nfs/dbraw/zinc/90/87/68/346908768.db2.gz IVRZWJGKYSMQEG-GXFFZTMASA-N -1 3 274.320 2.165 20 30 CEEDHM CCc1ccc([O-])c(C(=O)N2CCSC[C@H]2C#N)c1 ZINC000336144812 529691204 /nfs/dbraw/zinc/69/12/04/529691204.db2.gz JYIWFXJLJHQZPH-LLVKDONJSA-N -1 3 276.361 2.036 20 30 CEEDHM C=CC[C@H]1CCCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000622144594 349803568 /nfs/dbraw/zinc/80/35/68/349803568.db2.gz PMJOWFNMFNCRNH-JTQLQIEISA-N -1 3 264.300 2.355 20 30 CEEDHM Cc1cc(C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000041574400 343441927 /nfs/dbraw/zinc/44/19/27/343441927.db2.gz PXUYCGWHBFDHDL-ZDUSSCGKSA-N -1 3 296.286 2.492 20 30 CEEDHM C[C@@H]1CCc2[n-]n(Cc3cccc(C#N)c3)c(=O)c21 ZINC000601946428 346938047 /nfs/dbraw/zinc/93/80/47/346938047.db2.gz YNBBGNHPTUMMFS-YGRLFVJLSA-N -1 3 253.305 2.303 20 30 CEEDHM Cc1cc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000041574338 343442017 /nfs/dbraw/zinc/44/20/17/343442017.db2.gz PVVHYVBXWADKSX-ZDUSSCGKSA-N -1 3 296.286 2.492 20 30 CEEDHM C[C@H](CC#N)N(C)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094107654 344234055 /nfs/dbraw/zinc/23/40/55/344234055.db2.gz OQTIGAGLOVWGMM-SNVBAGLBSA-N -1 3 288.347 2.480 20 30 CEEDHM CCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151003430 344418970 /nfs/dbraw/zinc/41/89/70/344418970.db2.gz XIUDNDVGMFPLTP-UHFFFAOYSA-N -1 3 270.329 2.164 20 30 CEEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccsc1 ZINC000235519979 344591631 /nfs/dbraw/zinc/59/16/31/344591631.db2.gz RQSBLZLCCNTYBC-VIFPVBQESA-N -1 3 293.373 2.054 20 30 CEEDHM C=CCN(CC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000275005660 344669686 /nfs/dbraw/zinc/66/96/86/344669686.db2.gz OYGRYBAOQQYHBI-UHFFFAOYSA-N -1 3 275.226 2.288 20 30 CEEDHM C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-] ZINC000382088614 344825698 /nfs/dbraw/zinc/82/56/98/344825698.db2.gz BQNBYHCZFMDSEP-SMDDNHRTSA-N -1 3 258.321 2.101 20 30 CEEDHM N#CCCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000054138292 362513981 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CSc1ccc([O-])c(C(=O)N[C@]2(C#N)CCSC2)c1 ZINC000597036403 346118507 /nfs/dbraw/zinc/11/85/07/346118507.db2.gz RFDZIUOLYKAHIF-ZDUSSCGKSA-N -1 3 294.401 2.243 20 30 CEEDHM C[C@H](CC#N)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000597732758 346223626 /nfs/dbraw/zinc/22/36/26/346223626.db2.gz YLLOEOZOZKRCJK-SNVBAGLBSA-N -1 3 269.304 2.106 20 30 CEEDHM CC[C@H](C#N)C(=O)NCc1ccc([O-])c2ncccc12 ZINC000597732586 346223721 /nfs/dbraw/zinc/22/37/21/346223721.db2.gz UJCYSYWMJGSPJC-SNVBAGLBSA-N -1 3 269.304 2.106 20 30 CEEDHM C=CCCSCCNC(=O)c1cccc(OC)c1[O-] ZINC000597971607 346260766 /nfs/dbraw/zinc/26/07/66/346260766.db2.gz VLUFEZATMJTKKP-UHFFFAOYSA-N -1 3 281.377 2.440 20 30 CEEDHM Cc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000600711870 346675693 /nfs/dbraw/zinc/67/56/93/346675693.db2.gz ZPWUZMCZZYCJCX-WFASDCNBSA-N -1 3 272.348 2.409 20 30 CEEDHM CC(C)(C#N)c1ccccc1CSCCc1nnn[n-]1 ZINC000603339173 347343956 /nfs/dbraw/zinc/34/39/56/347343956.db2.gz NXNBAWQDSRWIKW-UHFFFAOYSA-N -1 3 287.392 2.477 20 30 CEEDHM CC(C)(C#N)c1ccccc1CSCCc1nn[n-]n1 ZINC000603339173 347343958 /nfs/dbraw/zinc/34/39/58/347343958.db2.gz NXNBAWQDSRWIKW-UHFFFAOYSA-N -1 3 287.392 2.477 20 30 CEEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)F ZINC000603423640 347366994 /nfs/dbraw/zinc/36/69/94/347366994.db2.gz MVBREOKJQGZSCL-LURJTMIESA-N -1 3 294.710 2.144 20 30 CEEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CC1 ZINC000611016267 347732840 /nfs/dbraw/zinc/73/28/40/347732840.db2.gz LLRIRVFHEBERMN-SECBINFHSA-N -1 3 282.340 2.022 20 30 CEEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000611113641 347740340 /nfs/dbraw/zinc/74/03/40/347740340.db2.gz CEAOQTVPCJWHBP-VIFPVBQESA-N -1 3 288.319 2.181 20 30 CEEDHM Cc1ccc(C(=O)N2CCC[C@](C)(C#N)C2)c([O-])c1 ZINC000612370982 347875963 /nfs/dbraw/zinc/87/59/63/347875963.db2.gz XXUNVFJWZGJPDI-OAHLLOKOSA-N -1 3 258.321 2.467 20 30 CEEDHM C=CC[C@H](CO)CNC(=O)c1cc(SC)ccc1[O-] ZINC000613252103 348009034 /nfs/dbraw/zinc/00/90/34/348009034.db2.gz AXZOSGRWMWEJPV-JTQLQIEISA-N -1 3 281.377 2.029 20 30 CEEDHM Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1C(F)(F)F ZINC000613296610 348019433 /nfs/dbraw/zinc/01/94/33/348019433.db2.gz NBRHSNOMMOAWAV-QMMMGPOBSA-N -1 3 294.236 2.324 20 30 CEEDHM C=CCC1(NC(=O)c2ccc([O-])c(OC)c2)CCOCC1 ZINC000618249385 348906554 /nfs/dbraw/zinc/90/65/54/348906554.db2.gz RLLPRWVQPOYYDF-UHFFFAOYSA-N -1 3 291.347 2.256 20 30 CEEDHM N#Cc1ccc(OC2CN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000130624795 365975594 /nfs/dbraw/zinc/97/55/94/365975594.db2.gz PQLQZBJREVGREA-UHFFFAOYSA-N -1 3 294.310 2.167 20 30 CEEDHM C=CC[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000628493020 351117641 /nfs/dbraw/zinc/11/76/41/351117641.db2.gz IALZGVIXUHPABG-NSHDSACASA-N -1 3 263.312 2.498 20 30 CEEDHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2ccccn2)c1C ZINC000131974390 366107957 /nfs/dbraw/zinc/10/79/57/366107957.db2.gz PPAWOFZRIPUMBB-LLVKDONJSA-N -1 3 297.314 2.303 20 30 CEEDHM C=CC[C@@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000356358413 540351572 /nfs/dbraw/zinc/35/15/72/540351572.db2.gz HTGVBKBSCUJUHR-ZDUSSCGKSA-N -1 3 271.316 2.212 20 30 CEEDHM C=CC[C@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000356358410 540351651 /nfs/dbraw/zinc/35/16/51/540351651.db2.gz HTGVBKBSCUJUHR-CYBMUJFWSA-N -1 3 271.316 2.212 20 30 CEEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(C)s2)s1 ZINC000136122754 366495526 /nfs/dbraw/zinc/49/55/26/366495526.db2.gz SSJPITFZPWWHRG-UHFFFAOYSA-N -1 3 281.366 2.153 20 30 CEEDHM C=CCN(CC=C)CCOc1ccccc1C(=O)[O-] ZINC000011803190 361365191 /nfs/dbraw/zinc/36/51/91/361365191.db2.gz PFIUNNLFTBNQFG-UHFFFAOYSA-N -1 3 261.321 2.438 20 30 CEEDHM Cc1[nH]nc([N-]C(=O)c2ccc(Br)o2)c1C#N ZINC000335697737 364847927 /nfs/dbraw/zinc/84/79/27/364847927.db2.gz LUVWFKIHHSXULO-UHFFFAOYSA-N -1 3 295.096 2.198 20 30 CEEDHM Cc1cccc(C(=O)Nc2ccn(CCC#N)n2)c1[O-] ZINC000117715598 365121576 /nfs/dbraw/zinc/12/15/76/365121576.db2.gz QPBKKUBJXYCNEE-UHFFFAOYSA-N -1 3 270.292 2.063 20 30 CEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000160136852 366976049 /nfs/dbraw/zinc/97/60/49/366976049.db2.gz ODGYGEUBDDIIAG-UHFFFAOYSA-N -1 3 294.351 2.166 20 30 CEEDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(C#N)cc2)n1 ZINC000160788267 367034315 /nfs/dbraw/zinc/03/43/15/367034315.db2.gz MAKNWXAXQZDEPN-UHFFFAOYSA-N -1 3 282.347 2.248 20 30 CEEDHM CC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000168077982 367346784 /nfs/dbraw/zinc/34/67/84/367346784.db2.gz ODHNGXOOIHGSCO-UHFFFAOYSA-N -1 3 284.768 2.433 20 30 CEEDHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1ccccn1 ZINC000682497280 541671378 /nfs/dbraw/zinc/67/13/78/541671378.db2.gz FKDNTQGEMCLOIU-JTQLQIEISA-N -1 3 294.236 2.330 20 30 CEEDHM N#Cc1cccc(NCC(=O)Nc2ccc([O-])cc2F)c1 ZINC000358155433 370927490 /nfs/dbraw/zinc/92/74/90/370927490.db2.gz SNYRSRJYGMRKOS-UHFFFAOYSA-N -1 3 285.278 2.454 20 30 CEEDHM CC(C)CCN(CCC#N)C(=O)c1cccc2[n-]nnc21 ZINC000187769623 369219518 /nfs/dbraw/zinc/21/95/18/369219518.db2.gz JFLXVBLNCVONRK-UHFFFAOYSA-N -1 3 285.351 2.360 20 30 CEEDHM CC(C)CCN(CCC#N)C(=O)c1cccc2nn[n-]c21 ZINC000187769623 369219523 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CEEDHM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000822832944 599057899 /nfs/dbraw/zinc/05/78/99/599057899.db2.gz JRBDHNBMVUGAFP-UHFFFAOYSA-N -1 3 298.306 2.424 20 30 CEEDHM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000822832944 599057901 /nfs/dbraw/zinc/05/79/01/599057901.db2.gz JRBDHNBMVUGAFP-UHFFFAOYSA-N -1 3 298.306 2.424 20 30 CEEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(C#N)c1 ZINC000820455547 599353879 /nfs/dbraw/zinc/35/38/79/599353879.db2.gz JRAWFOAHUXMPFR-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(C#N)c1 ZINC000820455547 599353882 /nfs/dbraw/zinc/35/38/82/599353882.db2.gz JRAWFOAHUXMPFR-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM CC(C)N(CCC(=O)[O-])Cc1cc(C#N)ccc1F ZINC000037596048 600221384 /nfs/dbraw/zinc/22/13/84/600221384.db2.gz YSNTYMXVXUGHEW-UHFFFAOYSA-N -1 3 264.300 2.382 20 30 CEEDHM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2ccc(C#N)cc2)O1 ZINC000833576565 605315629 /nfs/dbraw/zinc/31/56/29/605315629.db2.gz KZDGRJVSLYFEFM-AWEZNQCLSA-N -1 3 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CCCCN([O-])C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000904210690 635502132 /nfs/dbraw/zinc/50/21/32/635502132.db2.gz XQOJPFFXJPTORN-NSHDSACASA-N -1 3 299.392 2.212 20 30 CEEDHM Cc1cc(C(=O)/C=C\c2cnc(N(C)C)n2C)ccc1[O-] ZINC000840718024 631027783 /nfs/dbraw/zinc/02/77/83/631027783.db2.gz WENFQPXPTBLZND-VURMDHGXSA-N -1 3 285.347 2.396 20 30 CEEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@H]2C[C@@H]12 ZINC000800814225 631146658 /nfs/dbraw/zinc/14/66/58/631146658.db2.gz RERKEJVYCUWVEA-UONOGXRCSA-N -1 3 292.404 2.325 20 30 CEEDHM Cc1cc([O-])c(CN2CCO[C@](C)(C#N)C2)c(Cl)c1 ZINC000897586088 631797924 /nfs/dbraw/zinc/79/79/24/631797924.db2.gz FQXZYFKLJRQFEQ-CQSZACIVSA-N -1 3 280.755 2.469 20 30 CEEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(C)(C)C ZINC000807883405 631882164 /nfs/dbraw/zinc/88/21/64/631882164.db2.gz AHJAEQAUXXYPHA-QMMMGPOBSA-N -1 3 272.320 2.399 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000898280495 632146242 /nfs/dbraw/zinc/14/62/42/632146242.db2.gz 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C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cccc3n[n-]nc32)C1 ZINC000183634347 368637425 /nfs/dbraw/zinc/63/74/25/368637425.db2.gz LQHYHUGGVUYEJN-MEBBXXQBSA-N -1 3 283.335 2.160 20 30 CEEDHM CC[C@H](C#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185728111 368849752 /nfs/dbraw/zinc/84/97/52/368849752.db2.gz REWRSCBHLUGGTO-LLVKDONJSA-N -1 3 258.321 2.303 20 30 CEEDHM C[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(C#N)cc1 ZINC000348707519 369127549 /nfs/dbraw/zinc/12/75/49/369127549.db2.gz SMNHMSJYPUUAIW-NSHDSACASA-N -1 3 296.330 2.219 20 30 CEEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(F)c[n-]c1=O ZINC000635448024 369177273 /nfs/dbraw/zinc/17/72/73/369177273.db2.gz BVCXFNLPFULFJJ-UHFFFAOYSA-N -1 3 278.205 2.117 20 30 CEEDHM CCN=c1[n-]c(C(=O)Nc2ccc(CC#N)cc2)cs1 ZINC000358273405 370987113 /nfs/dbraw/zinc/98/71/13/370987113.db2.gz IHRVNXMHKVRSDL-UHFFFAOYSA-N -1 3 286.360 2.315 20 30 CEEDHM C#CCC1(C(=O)N2CCc3c(=O)[n-]cnc3C2)CCCCC1 ZINC000276576485 193387467 /nfs/dbraw/zinc/38/74/67/193387467.db2.gz WTWBIVXYXYDFKH-UHFFFAOYSA-N -1 3 299.374 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COc1cc(C(=O)NCc2ccc(C#N)cc2)ccc1[O-] ZINC000357611891 533542684 /nfs/dbraw/zinc/54/26/84/533542684.db2.gz HIXMFMWJYRCASO-UHFFFAOYSA-N -1 3 282.299 2.202 20 30 CEEDHM CC(C)[C@@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000271323000 394754460 /nfs/dbraw/zinc/75/44/60/394754460.db2.gz PHGUEYNMRWUHQT-OEVPUMOJSA-N -1 3 279.336 2.426 20 30 CEEDHM CC(C)c1ccc(C(=O)NC2(C#N)CCOCC2)c([O-])c1 ZINC000271345271 394755075 /nfs/dbraw/zinc/75/50/75/394755075.db2.gz WWYLJAYSWFEEFG-UHFFFAOYSA-N -1 3 288.347 2.318 20 30 CEEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000123102844 394823129 /nfs/dbraw/zinc/82/31/29/394823129.db2.gz GOBXCLYIRWLTFK-ZDUSSCGKSA-N -1 3 289.335 2.019 20 30 CEEDHM C=C[C@](C)(CC)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000134951387 394960354 /nfs/dbraw/zinc/96/03/54/394960354.db2.gz ZOIOKUZJILCZOO-CQSZACIVSA-N -1 3 271.324 2.408 20 30 CEEDHM C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000134951387 394960358 /nfs/dbraw/zinc/96/03/58/394960358.db2.gz ZOIOKUZJILCZOO-CQSZACIVSA-N -1 3 271.324 2.408 20 30 CEEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000134951387 394960360 /nfs/dbraw/zinc/96/03/60/394960360.db2.gz ZOIOKUZJILCZOO-CQSZACIVSA-N -1 3 271.324 2.408 20 30 CEEDHM C=C[C@@](C)(CC)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000134926186 394960673 /nfs/dbraw/zinc/96/06/73/394960673.db2.gz QIERTAWOXAPNKF-VIFPVBQESA-N -1 3 262.235 2.364 20 30 CEEDHM C=C[C@@](C)(CC)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000134926186 394960677 /nfs/dbraw/zinc/96/06/77/394960677.db2.gz QIERTAWOXAPNKF-VIFPVBQESA-N -1 3 262.235 2.364 20 30 CEEDHM N#CC1(CNC(=O)Cc2ccc([O-])cc2Cl)CCC1 ZINC000416345206 395055132 /nfs/dbraw/zinc/05/51/32/395055132.db2.gz GJUZQJYKLJRWAD-UHFFFAOYSA-N -1 3 278.739 2.398 20 30 CEEDHM CC(C)(C)c1nsc([N-]C(=O)c2cc(C#N)ccn2)n1 ZINC000288751283 395065709 /nfs/dbraw/zinc/06/57/09/395065709.db2.gz BYOMXBRTDIHDIB-UHFFFAOYSA-N -1 3 287.348 2.355 20 30 CEEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccs2)C1 ZINC000182006882 395229674 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ZINC000649185097 396085468 /nfs/dbraw/zinc/08/54/68/396085468.db2.gz XSOVPNXSLBVEJB-ZDUSSCGKSA-N -1 3 275.348 2.020 20 30 CEEDHM C[C@H](C(=O)NCc1ncccc1[O-])c1cccc(C#N)c1 ZINC000360446036 155300823 /nfs/dbraw/zinc/30/08/23/155300823.db2.gz KVGLHMCUDVHPOA-NSHDSACASA-N -1 3 281.315 2.079 20 30 CEEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ncccc1[O-] ZINC000022262946 171383264 /nfs/dbraw/zinc/38/32/64/171383264.db2.gz DKUCRINXKCLRTI-SNVBAGLBSA-N -1 3 283.287 2.065 20 30 CEEDHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000657147804 414789862 /nfs/dbraw/zinc/78/98/62/414789862.db2.gz JCJGNKIJIDQLFB-UHFFFAOYSA-N -1 3 287.356 2.005 20 30 CEEDHM C=CCOCCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000657147747 414789880 /nfs/dbraw/zinc/78/98/80/414789880.db2.gz FXRPBRNTJRJHFI-UHFFFAOYSA-N -1 3 287.356 2.005 20 30 CEEDHM Cc1cccc([O-])c1NC(=O)[C@H]1CCc2nncn2C1 ZINC000329035772 227267748 /nfs/dbraw/zinc/26/77/48/227267748.db2.gz RBYFKPRAOCGVKT-JTQLQIEISA-N -1 3 272.308 2.143 20 30 CEEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1nnc(SC)[n-]1 ZINC000273459275 263017231 /nfs/dbraw/zinc/01/72/31/263017231.db2.gz HKGRRQUNTCKRPY-VIFPVBQESA-N -1 3 299.400 2.436 20 30 CEEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(SC)n[n-]1 ZINC000273459275 263017232 /nfs/dbraw/zinc/01/72/32/263017232.db2.gz HKGRRQUNTCKRPY-VIFPVBQESA-N -1 3 299.400 2.436 20 30 CEEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1n[n-]c(SC)n1 ZINC000273459275 263017233 /nfs/dbraw/zinc/01/72/33/263017233.db2.gz HKGRRQUNTCKRPY-VIFPVBQESA-N -1 3 299.400 2.436 20 30 CEEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccoc1 ZINC000285101033 263090340 /nfs/dbraw/zinc/09/03/40/263090340.db2.gz NMTYAGMGWDSDNA-UHFFFAOYSA-N -1 3 270.354 2.420 20 30 CEEDHM CS(=O)(=O)C1(C/N=C/c2ccccc2[O-])CCCC1 ZINC000285361767 263092520 /nfs/dbraw/zinc/09/25/20/263092520.db2.gz NNTCSONCRJRCAQ-XNTDXEJSSA-N -1 3 281.377 2.169 20 30 CEEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCSC2)c1[O-] ZINC000287191242 263101294 /nfs/dbraw/zinc/10/12/94/263101294.db2.gz LATODYHTNHTOCM-LBMJDHPKSA-N -1 3 280.393 2.150 20 30 CEEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2COc3ccccc32)c1[O-] ZINC000289940102 263113249 /nfs/dbraw/zinc/11/32/49/263113249.db2.gz OGYXEEXKMQZKCA-NACCWKTGSA-N -1 3 298.342 2.183 20 30 CEEDHM CCc1nc(C)c(C/N=C/c2ccc(O)c([O-])c2O)o1 ZINC000292072804 263128124 /nfs/dbraw/zinc/12/81/24/263128124.db2.gz LLNWGSLVDSTWEZ-GIDUJCDVSA-N -1 3 276.292 2.281 20 30 CEEDHM COC(=O)[C@H](C/N=C/c1c([O-])ccc2ccccc21)OC ZINC000292158599 263129209 /nfs/dbraw/zinc/12/92/09/263129209.db2.gz VYMYLQWYTFTFEN-ZUZCKIMGSA-N -1 3 287.315 2.152 20 30 CEEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc([O-])ccc1Cl ZINC000294646513 263165387 /nfs/dbraw/zinc/16/53/87/263165387.db2.gz JUTUXBNNYNAGNF-ZDUSSCGKSA-N -1 3 264.712 2.468 20 30 CEEDHM N#C[C@@]1(C(=O)Nc2ncccc2[O-])CC12CCCC2 ZINC000295220361 263174552 /nfs/dbraw/zinc/17/45/52/263174552.db2.gz QWVMPUCUVGJRBU-CQSZACIVSA-N -1 3 257.293 2.200 20 30 CEEDHM C[C@@H](C#N)Oc1ccccc1NC([O-])=NOCC1CC1 ZINC000296983772 263199620 /nfs/dbraw/zinc/19/96/20/263199620.db2.gz XZSKVNMQBUEPJF-JTQLQIEISA-N -1 3 275.308 2.441 20 30 CEEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000296983772 263199623 /nfs/dbraw/zinc/19/96/23/263199623.db2.gz XZSKVNMQBUEPJF-JTQLQIEISA-N -1 3 275.308 2.441 20 30 CEEDHM CN(C)c1nc(C(=O)N[C@]2(C)CC=CCC2)cc(=O)[n-]1 ZINC000331347745 264205910 /nfs/dbraw/zinc/20/59/10/264205910.db2.gz MOXNMRYAQAHQLT-CQSZACIVSA-N -1 3 276.340 2.052 20 30 CEEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000131793972 264381245 /nfs/dbraw/zinc/38/12/45/264381245.db2.gz AOKCKQVDVHCULZ-UHFFFAOYSA-N -1 3 297.362 2.251 20 30 CEEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000131793972 264381246 /nfs/dbraw/zinc/38/12/46/264381246.db2.gz AOKCKQVDVHCULZ-UHFFFAOYSA-N -1 3 297.362 2.251 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCCC)C(=O)OC ZINC000293408298 264939025 /nfs/dbraw/zinc/93/90/25/264939025.db2.gz FZAHOUFGQBPKAN-VIFPVBQESA-N -1 3 263.284 2.046 20 30 CEEDHM CN(CC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000357082093 266244463 /nfs/dbraw/zinc/24/44/63/266244463.db2.gz VFTZZPDAAIAHIH-UHFFFAOYSA-N -1 3 268.276 2.037 20 30 CEEDHM C[C@H](CC#N)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000357368659 266285899 /nfs/dbraw/zinc/28/58/99/266285899.db2.gz ULTFNFZOQRWCCX-MRVPVSSYSA-N -1 3 297.152 2.116 20 30 CEEDHM C=CC[C@H](CC)N=c1[n-]c(C(=O)OC)c(C)s1 ZINC000357693020 266347223 /nfs/dbraw/zinc/34/72/23/266347223.db2.gz SFEOICNIFGFKJV-VIFPVBQESA-N -1 3 254.355 2.427 20 30 CEEDHM N#Cc1cccc(CC(=O)Nc2ccccc2[O-])c1 ZINC000531157580 268278863 /nfs/dbraw/zinc/27/88/63/268278863.db2.gz DHQPWXFHWULFLK-UHFFFAOYSA-N -1 3 252.273 2.445 20 30 CEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCCC1 ZINC000156047807 303175178 /nfs/dbraw/zinc/17/51/78/303175178.db2.gz GBDKARMHVMMYAP-UHFFFAOYSA-N -1 3 284.768 2.433 20 30 CEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCCC1 ZINC000156047678 303181476 /nfs/dbraw/zinc/18/14/76/303181476.db2.gz RYXSRQPKIDTEAE-UHFFFAOYSA-N -1 3 284.768 2.433 20 30 CEEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000571312380 314084192 /nfs/dbraw/zinc/08/41/92/314084192.db2.gz KVTBUUCGLXNBMM-UHFFFAOYSA-N -1 3 274.305 2.441 20 30 CEEDHM C#CCCCS(=O)(=O)[N-][C@@H]1COc2cccc(Cl)c21 ZINC000377390834 329013742 /nfs/dbraw/zinc/01/37/42/329013742.db2.gz ZLZXOZRTAFFMDQ-LLVKDONJSA-N -1 3 299.779 2.106 20 30 CEEDHM C=CCOc1ccccc1CN(C)C[C@@H](C)C(=O)[O-] ZINC000414654874 328208744 /nfs/dbraw/zinc/20/87/44/328208744.db2.gz JWAIZEZFQFUNNZ-GFCCVEGCSA-N -1 3 263.337 2.404 20 30 CEEDHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000385771012 321864115 /nfs/dbraw/zinc/86/41/15/321864115.db2.gz ZZMLDTISNVGIKQ-MWLCHTKSSA-N -1 3 284.406 2.333 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000572107816 329945006 /nfs/dbraw/zinc/94/50/06/329945006.db2.gz VXPNCNCSZZBRJW-SKDRFNHKSA-N -1 3 251.257 2.061 20 30 CEEDHM N#CC1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CCCCC1 ZINC000527499476 330253384 /nfs/dbraw/zinc/25/33/84/330253384.db2.gz GGCFPTOCRMCQRB-GFCCVEGCSA-N -1 3 288.351 2.096 20 30 CEEDHM CC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000514910474 330467614 /nfs/dbraw/zinc/46/76/14/330467614.db2.gz RKGQGVYQLSWCFG-JTQLQIEISA-N -1 3 254.245 2.367 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000452041231 331051624 /nfs/dbraw/zinc/05/16/24/331051624.db2.gz LYSKXIPCJXKXKX-UHFFFAOYSA-N -1 3 294.298 2.345 20 30 CEEDHM C=CC(C)(C)CNC(=O)c1cc(F)cc2nn[n-]c21 ZINC000456116575 331184543 /nfs/dbraw/zinc/18/45/43/331184543.db2.gz NAUSCKRWRRJPBZ-UHFFFAOYSA-N -1 3 262.288 2.039 20 30 CEEDHM C=CC(C)(C)CNC(=O)c1cc(F)cc2[n-]nnc21 ZINC000456116575 331184544 /nfs/dbraw/zinc/18/45/44/331184544.db2.gz NAUSCKRWRRJPBZ-UHFFFAOYSA-N -1 3 262.288 2.039 20 30 CEEDHM C=CC(C)(C)CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000456116575 331184545 /nfs/dbraw/zinc/18/45/45/331184545.db2.gz NAUSCKRWRRJPBZ-UHFFFAOYSA-N -1 3 262.288 2.039 20 30 CEEDHM C=CCC[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)OCC ZINC000456617952 331196975 /nfs/dbraw/zinc/19/69/75/331196975.db2.gz ZNKPNNGRXSIARC-ZDUSSCGKSA-N -1 3 291.347 2.328 20 30 CEEDHM C=CCC[C@H](NC(=O)c1ccccc1[O-])C(=O)OCC ZINC000456630243 331197720 /nfs/dbraw/zinc/19/77/20/331197720.db2.gz QCYPAVXFGHAALX-LBPRGKRZSA-N -1 3 277.320 2.020 20 30 CEEDHM C=CCC[C@H](CO)NC(=O)c1ccc([O-])c(CC)c1 ZINC000456762958 331201052 /nfs/dbraw/zinc/20/10/52/331201052.db2.gz GTEKSJAEHVZXRX-CYBMUJFWSA-N -1 3 263.337 2.012 20 30 CEEDHM C=C[C@@H]1CCCCN1C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000488852955 332029469 /nfs/dbraw/zinc/02/94/69/332029469.db2.gz KYPLNMHGAILVLE-CYBMUJFWSA-N -1 3 289.379 2.299 20 30 CEEDHM C#CCN(CC#CC)C(=O)c1cc(CC)ccc1[O-] ZINC000490916809 332128998 /nfs/dbraw/zinc/12/89/98/332128998.db2.gz VPMCHTIHENVDPP-UHFFFAOYSA-N -1 3 255.317 2.053 20 30 CEEDHM N#C[C@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccc(F)cc1 ZINC000492397904 332395539 /nfs/dbraw/zinc/39/55/39/332395539.db2.gz KSPMZUXTARSDOG-IQHSHDKKSA-N -1 3 297.289 2.321 20 30 CEEDHM N#CCOc1ccc(/C=C/C(=O)[N-]OC2CCC2)cc1 ZINC000493857001 332456747 /nfs/dbraw/zinc/45/67/47/332456747.db2.gz PXUGIYHWQUSRSM-RMKNXTFCSA-N -1 3 272.304 2.202 20 30 CEEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000126247505 333595193 /nfs/dbraw/zinc/59/51/93/333595193.db2.gz SXQPENMQCNNYHA-QMMMGPOBSA-N -1 3 270.741 2.064 20 30 CEEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1O ZINC000550109318 334213245 /nfs/dbraw/zinc/21/32/45/334213245.db2.gz CFUXRHUGUNCJFM-UHFFFAOYSA-N -1 3 268.338 2.074 20 30 CEEDHM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]c1nncn1C1CC1 ZINC000329122837 533900742 /nfs/dbraw/zinc/90/07/42/533900742.db2.gz RJOLHXCLPWFJGT-ZYHUDNBSSA-N -1 3 294.355 2.175 20 30 CEEDHM CC#CCCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000184324701 519338558 /nfs/dbraw/zinc/33/85/58/519338558.db2.gz ZLEXREXEPKFXNP-UHFFFAOYSA-N -1 3 294.376 2.190 20 30 CEEDHM C=CCOc1ccc(CN[C@@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000738504978 574468023 /nfs/dbraw/zinc/46/80/23/574468023.db2.gz FPXFQKQVRAOVDI-CQSZACIVSA-N -1 3 290.363 2.483 20 30 CEEDHM N#CCN(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000737693391 574490521 /nfs/dbraw/zinc/49/05/21/574490521.db2.gz OGHSFRRHQBNTSI-UHFFFAOYSA-N -1 3 282.351 2.135 20 30 CEEDHM N#CCN(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000737693391 574490522 /nfs/dbraw/zinc/49/05/22/574490522.db2.gz OGHSFRRHQBNTSI-UHFFFAOYSA-N -1 3 282.351 2.135 20 30 CEEDHM [O-]c1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1Cl ZINC000753941007 574520228 /nfs/dbraw/zinc/52/02/28/574520228.db2.gz VTMWZJXNLNOLIN-VXGBXAGGSA-N -1 3 292.770 2.240 20 30 CEEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=CC1CCOCC1 ZINC000732707553 574626684 /nfs/dbraw/zinc/62/66/84/574626684.db2.gz ABQLJRHXEYVQNQ-XHPSBEMXSA-N -1 3 298.342 2.317 20 30 CEEDHM Cc1cc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)ncn1 ZINC000732711938 574626732 /nfs/dbraw/zinc/62/67/32/574626732.db2.gz MDIYLAUKJBWYNI-UHFFFAOYSA-N -1 3 285.282 2.001 20 30 CEEDHM Cc1nn(C)c(C)c1C(=N[N-]c1cnccn1)C(F)(F)F ZINC000733907166 574690359 /nfs/dbraw/zinc/69/03/59/574690359.db2.gz LTVUJCBPJNENIL-UHFFFAOYSA-N -1 3 298.272 2.205 20 30 CEEDHM CC#CCN(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735450170 574758490 /nfs/dbraw/zinc/75/84/90/574758490.db2.gz WPYFUWSPHLGNIT-UHFFFAOYSA-N -1 3 269.352 2.100 20 30 CEEDHM C=CCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735417076 574758704 /nfs/dbraw/zinc/75/87/04/574758704.db2.gz YFOUNWONGXAOOO-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM C=CCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735417076 574758706 /nfs/dbraw/zinc/75/87/06/574758706.db2.gz YFOUNWONGXAOOO-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCC1 ZINC000736204483 574778119 /nfs/dbraw/zinc/77/81/19/574778119.db2.gz SOIGWIUAXYHPTM-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCC1 ZINC000736204483 574778120 /nfs/dbraw/zinc/77/81/20/574778120.db2.gz SOIGWIUAXYHPTM-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000736344514 574784012 /nfs/dbraw/zinc/78/40/12/574784012.db2.gz AHIOKQARMZCDTP-UHFFFAOYSA-N -1 3 297.710 2.319 20 30 CEEDHM C[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)[O-] ZINC000739192473 574899127 /nfs/dbraw/zinc/89/91/27/574899127.db2.gz RBSACRGJKVOILJ-RISCZKNCSA-N -1 3 273.336 2.036 20 30 CEEDHM CN(CC1CCN(Cc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000739665577 574930400 /nfs/dbraw/zinc/93/04/00/574930400.db2.gz LGWFWQDTTZHTTO-UHFFFAOYSA-N -1 3 287.363 2.380 20 30 CEEDHM N#CCCCN1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740307388 574951616 /nfs/dbraw/zinc/95/16/16/574951616.db2.gz QZYIEMVXIBFWFI-CHWSQXEVSA-N -1 3 265.357 2.287 20 30 CEEDHM COc1cccc([O-])c1C=NN=C(C)c1cnccn1 ZINC000745200959 575135096 /nfs/dbraw/zinc/13/50/96/575135096.db2.gz PAGGMUNSLVBLKJ-UHFFFAOYSA-N -1 3 270.292 2.034 20 30 CEEDHM COc1cc(C)nc(N=NC(C)c2cc(F)ccc2[O-])n1 ZINC000747635189 575172883 /nfs/dbraw/zinc/17/28/83/575172883.db2.gz HZCKOFKOSKHNFY-UHFFFAOYSA-N -1 3 290.298 2.474 20 30 CEEDHM N#Cc1ccc(C(=O)OC[C@@H]2Cc3cc(F)ccc3O2)[n-]1 ZINC000752508038 575310953 /nfs/dbraw/zinc/31/09/53/575310953.db2.gz QJEYHDXNCUQEEG-LBPRGKRZSA-N -1 3 286.262 2.186 20 30 CEEDHM N#Cc1ccc(C(=O)OCCn2ncc3ccccc32)[n-]1 ZINC000752505433 575311057 /nfs/dbraw/zinc/31/10/57/575311057.db2.gz NVDYBPUICHQTSU-UHFFFAOYSA-N -1 3 280.287 2.093 20 30 CEEDHM CCc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821480365 607253818 /nfs/dbraw/zinc/25/38/18/607253818.db2.gz BPJBTCYDMLIYER-UHFFFAOYSA-N -1 3 296.334 2.146 20 30 CEEDHM CCc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821480365 607253819 /nfs/dbraw/zinc/25/38/19/607253819.db2.gz BPJBTCYDMLIYER-UHFFFAOYSA-N -1 3 296.334 2.146 20 30 CEEDHM O=C([O-])[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000821510834 597352650 /nfs/dbraw/zinc/35/26/50/597352650.db2.gz ASFLTBOEKGCTRB-GFCCVEGCSA-N -1 3 263.724 2.098 20 30 CEEDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1cccc(C#N)c1 ZINC000820431428 599396217 /nfs/dbraw/zinc/39/62/17/599396217.db2.gz FHZASFJMQWRJSC-SNVBAGLBSA-N -1 3 294.318 2.182 20 30 CEEDHM CC[C@@](C)(CC(=O)[O-])NCc1ccc(F)cc1C#N ZINC000828665500 602219560 /nfs/dbraw/zinc/21/95/60/602219560.db2.gz UBEAHKYTDLVJES-AWEZNQCLSA-N -1 3 264.300 2.430 20 30 CEEDHM CCN(CC(=O)C(C#N)c1nc(C(C)C)cs1)C(=O)[O-] ZINC000826992859 603441040 /nfs/dbraw/zinc/44/10/40/603441040.db2.gz 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Cc1ncc(CO)c(/C=N/C[C@@H]2C[C@H]2C2CC2)c1[O-] ZINC000840711041 630906859 /nfs/dbraw/zinc/90/68/59/630906859.db2.gz UNANOYYMVXFHAB-KVRWYEPMSA-N -1 3 260.337 2.053 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800260395 631104159 /nfs/dbraw/zinc/10/41/59/631104159.db2.gz ZWXYBFIKGDQWFW-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800260395 631104163 /nfs/dbraw/zinc/10/41/63/631104163.db2.gz ZWXYBFIKGDQWFW-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800260395 631104166 /nfs/dbraw/zinc/10/41/66/631104166.db2.gz ZWXYBFIKGDQWFW-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM CC#CCCOC(=O)c1n[n-]c2c1cccc2OC ZINC000808676112 631998303 /nfs/dbraw/zinc/99/83/03/631998303.db2.gz DLBXHOQRKQVAQF-UHFFFAOYSA-N -1 3 258.277 2.142 20 30 CEEDHM CC#CCCOC(=O)c1[n-]nc2c1cccc2OC ZINC000808676112 631998307 /nfs/dbraw/zinc/99/83/07/631998307.db2.gz DLBXHOQRKQVAQF-UHFFFAOYSA-N -1 3 258.277 2.142 20 30 CEEDHM COc1cccc(O)c1C=Nc1cccc(-c2nnn[n-]2)c1 ZINC000812394844 632522096 /nfs/dbraw/zinc/52/20/96/632522096.db2.gz YRDZBNQXFCTNEO-UHFFFAOYSA-N -1 3 295.302 2.332 20 30 CEEDHM COc1cccc(O)c1C=Nc1cccc(-c2nn[n-]n2)c1 ZINC000812394844 632522099 /nfs/dbraw/zinc/52/20/99/632522099.db2.gz YRDZBNQXFCTNEO-UHFFFAOYSA-N -1 3 295.302 2.332 20 30 CEEDHM CCCCCCCCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816753700 633471280 /nfs/dbraw/zinc/47/12/80/633471280.db2.gz NSJSIQSKIGYJFZ-GFCCVEGCSA-N -1 3 270.373 2.233 20 30 CEEDHM CCCc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)sc1C ZINC000816756613 633472100 /nfs/dbraw/zinc/47/21/00/633472100.db2.gz ASCRYVAYPUKRKD-LLVKDONJSA-N -1 3 296.392 2.119 20 30 CEEDHM O=C(CC[C@H]1CCOC1)N([O-])Cc1ccc(F)cc1 ZINC000901372101 634075600 /nfs/dbraw/zinc/07/56/00/634075600.db2.gz QLPCUTODEHEVAQ-LBPRGKRZSA-N -1 3 267.300 2.360 20 30 CEEDHM NC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901374680 634078858 /nfs/dbraw/zinc/07/88/58/634078858.db2.gz QYPFKJJRWWBOPK-UHFFFAOYSA-N -1 3 294.307 2.018 20 30 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Cc1c(NC(=O)C2(C#N)CCCC2)cccc1-c1nn[n-]n1 ZINC000822061624 607294772 /nfs/dbraw/zinc/29/47/72/607294772.db2.gz SAAYKJVCNGFZRO-UHFFFAOYSA-N -1 3 296.334 2.198 20 30 CEEDHM Cc1ccoc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000822379615 599335487 /nfs/dbraw/zinc/33/54/87/599335487.db2.gz RAORXMPISXWECH-UHFFFAOYSA-N -1 3 268.280 2.214 20 30 CEEDHM Cc1ccoc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822379615 599335489 /nfs/dbraw/zinc/33/54/89/599335489.db2.gz RAORXMPISXWECH-UHFFFAOYSA-N -1 3 268.280 2.214 20 30 CEEDHM C[C@H](Nc1ncccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820461695 599351769 /nfs/dbraw/zinc/35/17/69/599351769.db2.gz PURNHCNEOQBZHB-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820461695 599351770 /nfs/dbraw/zinc/35/17/70/599351770.db2.gz PURNHCNEOQBZHB-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@@H](CC(=O)[O-])C(=O)C(C#N)c1nc2ccccc2o1 ZINC000827240446 602184664 /nfs/dbraw/zinc/18/46/64/602184664.db2.gz KLHDUAYMHLKMEZ-DTWKUNHWSA-N -1 3 272.260 2.115 20 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/nfs/dbraw/zinc/19/87/40/263198740.db2.gz WDEXMVGGKBEFQV-SNVBAGLBSA-N -1 3 263.297 2.439 20 30 CEEDHM CCOc1cc(CN2CCO[C@@H](C#N)C2)cc(Cl)c1[O-] ZINC000297985556 263213355 /nfs/dbraw/zinc/21/33/55/263213355.db2.gz YLDLPGAXIVSBIF-NSHDSACASA-N -1 3 296.754 2.169 20 30 CEEDHM CC(C)c1ccc(C(=O)NC[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000331340089 264194776 /nfs/dbraw/zinc/19/47/76/264194776.db2.gz MPHJYNBQOMPTRL-MEDUHNTESA-N -1 3 293.363 2.360 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCOC2)cc1[O-] ZINC000331342053 264195237 /nfs/dbraw/zinc/19/52/37/264195237.db2.gz KOHAEVXFYXFKNK-SKDRFNHKSA-N -1 3 277.320 2.324 20 30 CEEDHM C=C(CC)CNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000456814852 264350925 /nfs/dbraw/zinc/35/09/25/264350925.db2.gz WAWYDMNVANALMM-UHFFFAOYSA-N -1 3 265.309 2.105 20 30 CEEDHM C=CCCCN(C)CC(=O)[N-]OCc1ccccc1 ZINC000093174992 264502622 /nfs/dbraw/zinc/50/26/22/264502622.db2.gz YJWIHUKUWINVFM-UHFFFAOYSA-N -1 3 262.353 2.132 20 30 CEEDHM C=C(C)CS(=O)(=O)[N-]c1cnc([C@@H](C)CC)nc1 ZINC000357093085 266246081 /nfs/dbraw/zinc/24/60/81/266246081.db2.gz VWAXHSMVAIFHFV-JTQLQIEISA-N -1 3 269.370 2.308 20 30 CEEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C(C)(C)C ZINC000428264854 267196333 /nfs/dbraw/zinc/19/63/33/267196333.db2.gz MLTGTNVBNZYHNB-GFCCVEGCSA-N -1 3 281.381 2.056 20 30 CEEDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1cccc(C#N)c1 ZINC000492435684 267270215 /nfs/dbraw/zinc/27/02/15/267270215.db2.gz GCJCGAOPPVTGBO-WAYWQWQTSA-N -1 3 279.299 2.335 20 30 CEEDHM CNc1ccc(C#N)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000493433105 267353455 /nfs/dbraw/zinc/35/34/55/267353455.db2.gz XVLMDBMGYMVUPL-HWKANZROSA-N -1 3 294.314 2.352 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(F)c1 ZINC000151107568 280088672 /nfs/dbraw/zinc/08/86/72/280088672.db2.gz QBTHNPGPLMBYEQ-NSHDSACASA-N -1 3 294.351 2.332 20 30 CEEDHM O=C(NC1CC(C(F)(F)F)C1)c1csc(=O)[n-]1 ZINC000330204734 295376321 /nfs/dbraw/zinc/37/63/21/295376321.db2.gz CXXJQEOUXWLBOS-UHFFFAOYSA-N -1 3 266.244 2.494 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1C#N ZINC000416587319 302016050 /nfs/dbraw/zinc/01/60/50/302016050.db2.gz HHYMYUAXHIYCRC-CHWSQXEVSA-N -1 3 296.367 2.426 20 30 CEEDHM CC(C)n1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000355626068 327948161 /nfs/dbraw/zinc/94/81/61/327948161.db2.gz AYMXYNTYXBMKPD-NSHDSACASA-N -1 3 254.293 2.349 20 30 CEEDHM CC[C@H](CC#N)NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412246199 328106347 /nfs/dbraw/zinc/10/63/47/328106347.db2.gz JIOVZXHTVCHQDT-LLVKDONJSA-N -1 3 260.293 2.017 20 30 CEEDHM CCc1ccc(C(=O)N[C@]2(C#N)CC2(C)C)c([O-])c1 ZINC000292523225 328271043 /nfs/dbraw/zinc/27/10/43/328271043.db2.gz QQYHVVAVLHRMCF-HNNXBMFYSA-N -1 3 258.321 2.377 20 30 CEEDHM C=C(C)CN(CC)C(=O)N=c1cc2ccccn2[n-]1 ZINC000558467583 327096555 /nfs/dbraw/zinc/09/65/55/327096555.db2.gz VRMHLRGNLDCGRN-UHFFFAOYSA-N -1 3 258.325 2.186 20 30 CEEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121537407 328980741 /nfs/dbraw/zinc/98/07/41/328980741.db2.gz PVCVDDOPYCIZLX-SECBINFHSA-N -1 3 284.337 2.064 20 30 CEEDHM C=CCOCCCC(=O)Nc1ccc([O-])cc1F ZINC000183240177 329248921 /nfs/dbraw/zinc/24/89/21/329248921.db2.gz SDXDFDBKGAVMID-UHFFFAOYSA-N -1 3 253.273 2.453 20 30 CEEDHM C=CCNc1ncc(C(=O)Nc2ncccc2[O-])s1 ZINC000136080273 329670526 /nfs/dbraw/zinc/67/05/26/329670526.db2.gz DHODRRLWOBASHD-UHFFFAOYSA-N -1 3 276.321 2.094 20 30 CEEDHM N#CC1(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CCCCC1 ZINC000527499477 330253388 /nfs/dbraw/zinc/25/33/88/330253388.db2.gz GGCFPTOCRMCQRB-LBPRGKRZSA-N -1 3 288.351 2.096 20 30 CEEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C(F)F)n1 ZINC000533179957 330351955 /nfs/dbraw/zinc/35/19/55/330351955.db2.gz PKKCXSKWGDMIJZ-MRVPVSSYSA-N -1 3 276.246 2.243 20 30 CEEDHM C=CCOCCCC(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000439021172 330732524 /nfs/dbraw/zinc/73/25/24/330732524.db2.gz PMGVBNQQCSNCJZ-UHFFFAOYSA-N -1 3 285.347 2.420 20 30 CEEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442762391 330781516 /nfs/dbraw/zinc/78/15/16/330781516.db2.gz HEYIXGMNRFTNHM-MRVPVSSYSA-N -1 3 294.298 2.343 20 30 CEEDHM Cc1csc(S(=O)(=O)[N-]CCCCC#N)c1 ZINC000451165807 331018353 /nfs/dbraw/zinc/01/83/53/331018353.db2.gz LXHZILLQCCGQQE-UHFFFAOYSA-N -1 3 258.368 2.029 20 30 CEEDHM CCc1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000451731241 331040406 /nfs/dbraw/zinc/04/04/06/331040406.db2.gz DEZCWYVOZYZDQT-UWVGGRQHSA-N -1 3 299.421 2.066 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(O)c(OCC)c1 ZINC000493817370 332455198 /nfs/dbraw/zinc/45/51/98/332455198.db2.gz RNLHNNAYKBNKBK-GXMKHXEJSA-N -1 3 277.320 2.426 20 30 CEEDHM C=C(C)CO[N-]C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000497038836 332568262 /nfs/dbraw/zinc/56/82/62/332568262.db2.gz RZPWVOAMEPABNE-UHFFFAOYSA-N -1 3 296.367 2.178 20 30 CEEDHM COc1ccc([O-])c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000227517327 333284363 /nfs/dbraw/zinc/28/43/63/333284363.db2.gz NMUQWVWFNZWGFU-UHFFFAOYSA-N -1 3 274.320 2.167 20 30 CEEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000233898251 333355810 /nfs/dbraw/zinc/35/58/10/333355810.db2.gz INYLNGVMJIJWQK-VIFPVBQESA-N -1 3 275.732 2.169 20 30 CEEDHM C=CCCO[C@@H](C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132896012 334009518 /nfs/dbraw/zinc/00/95/18/334009518.db2.gz MJZPKOORVMZOQQ-JTQLQIEISA-N -1 3 267.300 2.129 20 30 CEEDHM C#CCN(C(=O)c1cc(OC)ccc1[O-])C1CCCC1 ZINC000155649131 334726145 /nfs/dbraw/zinc/72/61/45/334726145.db2.gz BBZGGMCVPRXZMI-UHFFFAOYSA-N -1 3 273.332 2.419 20 30 CEEDHM CC(C)(C)c1nnsc1C(=O)[N-]c1nncn1C1CC1 ZINC000329113878 526898873 /nfs/dbraw/zinc/89/88/73/526898873.db2.gz LNRGUUJGBVTKDG-UHFFFAOYSA-N -1 3 292.368 2.398 20 30 CEEDHM COC(=O)N1CCC[C@H](/N=C\c2ccccc2[O-])C1 ZINC000726429315 574426296 /nfs/dbraw/zinc/42/62/96/574426296.db2.gz MJEWHLYSSCHWPG-ZENNRRHLSA-N -1 3 262.309 2.042 20 30 CEEDHM Cc1ncc(CO)c(C=NNCCCc2ccccc2)c1[O-] ZINC000729146105 574480629 /nfs/dbraw/zinc/48/06/29/574480629.db2.gz LKCKATHBIKJGAX-UHFFFAOYSA-N -1 3 299.374 2.144 20 30 CEEDHM CC(C)OC(=O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000729150785 574480826 /nfs/dbraw/zinc/48/08/26/574480826.db2.gz YJQISGCTIADBHJ-NSIKDUERSA-N -1 3 255.701 2.416 20 30 CEEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)Cc1ccccc1 ZINC000729150831 574480862 /nfs/dbraw/zinc/48/08/62/574480862.db2.gz YSCYRZXYHYCAJB-QCUKBLKESA-N -1 3 285.343 2.423 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cncc([O-])c2)c1 ZINC000731915209 574606065 /nfs/dbraw/zinc/60/60/65/574606065.db2.gz DRHZZIKULMIRGF-UHFFFAOYSA-N -1 3 254.245 2.016 20 30 CEEDHM Cc1cc([N-]N=C2C(=O)Nc3c2c(F)ccc3C)ncn1 ZINC000731936034 574607730 /nfs/dbraw/zinc/60/77/30/574607730.db2.gz XWFJDXZYXJSKCQ-UHFFFAOYSA-N -1 3 285.282 2.001 20 30 CEEDHM CCS(=O)(=O)C[C@H](C)/N=C\c1cc(Cl)ccc1[O-] ZINC000733205187 574657669 /nfs/dbraw/zinc/65/76/69/574657669.db2.gz MJHOBFNSYZKQHT-VUPJLDGMSA-N -1 3 289.784 2.288 20 30 CEEDHM C=CC[C@H](C)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735410313 574755197 /nfs/dbraw/zinc/75/51/97/574755197.db2.gz ZEAMIPFCPMTDJL-QMMMGPOBSA-N -1 3 290.302 2.092 20 30 CEEDHM C=CC[C@H](C)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735410313 574755199 /nfs/dbraw/zinc/75/51/99/574755199.db2.gz ZEAMIPFCPMTDJL-QMMMGPOBSA-N -1 3 290.302 2.092 20 30 CEEDHM C=CCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000735407901 574756964 /nfs/dbraw/zinc/75/69/64/574756964.db2.gz APWAXEQEPBZQDS-UHFFFAOYSA-N -1 3 276.271 2.015 20 30 CEEDHM C=CCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000735407901 574756966 /nfs/dbraw/zinc/75/69/66/574756966.db2.gz APWAXEQEPBZQDS-UHFFFAOYSA-N -1 3 276.271 2.015 20 30 CEEDHM C=C(C)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735402238 574756971 /nfs/dbraw/zinc/75/69/71/574756971.db2.gz NLWPZIUTNOHMSK-UHFFFAOYSA-N -1 3 266.308 2.306 20 30 CEEDHM C=C(C)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735402238 574756974 /nfs/dbraw/zinc/75/69/74/574756974.db2.gz NLWPZIUTNOHMSK-UHFFFAOYSA-N -1 3 266.308 2.306 20 30 CEEDHM C=CCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735416911 574758575 /nfs/dbraw/zinc/75/85/75/574758575.db2.gz TYOYBBKGSOTOGX-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM C=CCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735416911 574758576 /nfs/dbraw/zinc/75/85/76/574758576.db2.gz TYOYBBKGSOTOGX-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736138219 574776696 /nfs/dbraw/zinc/77/66/96/574776696.db2.gz PUXICPNSICLWOK-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1cccc(C#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736138219 574776697 /nfs/dbraw/zinc/77/66/97/574776697.db2.gz PUXICPNSICLWOK-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM CCCC(C)=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736419473 574787368 /nfs/dbraw/zinc/78/73/68/574787368.db2.gz MFBVSCQCBKDYJN-YFHOEESVSA-N -1 3 296.334 2.423 20 30 CEEDHM CCCC(C)=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736419473 574787369 /nfs/dbraw/zinc/78/73/69/574787369.db2.gz MFBVSCQCBKDYJN-YFHOEESVSA-N -1 3 296.334 2.423 20 30 CEEDHM CCC/C(C)=C\C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736419473 574787370 /nfs/dbraw/zinc/78/73/70/574787370.db2.gz MFBVSCQCBKDYJN-YFHOEESVSA-N -1 3 296.334 2.423 20 30 CEEDHM Cc1ncccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737503345 574837052 /nfs/dbraw/zinc/83/70/52/574837052.db2.gz URIANGXCHDXTAO-BQYQJAHWSA-N -1 3 291.314 2.466 20 30 CEEDHM Cc1ncccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737503345 574837053 /nfs/dbraw/zinc/83/70/53/574837053.db2.gz URIANGXCHDXTAO-BQYQJAHWSA-N -1 3 291.314 2.466 20 30 CEEDHM O=C(C=Cc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737807680 574845237 /nfs/dbraw/zinc/84/52/37/574845237.db2.gz LSUBOOPATJOPDH-AATRIKPKSA-N -1 3 283.316 2.219 20 30 CEEDHM O=C(C=Cc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737807680 574845239 /nfs/dbraw/zinc/84/52/39/574845239.db2.gz LSUBOOPATJOPDH-AATRIKPKSA-N -1 3 283.316 2.219 20 30 CEEDHM COc1cccc([O-])c1/C=N\C[C@@](C)(O)c1ccco1 ZINC000741464460 574987917 /nfs/dbraw/zinc/98/79/17/574987917.db2.gz OZDVIZRWQDXDRS-AVIKPIRVSA-N -1 3 275.304 2.320 20 30 CEEDHM Cc1ncc(CO)c(/C=N\Cc2cc(C#N)ccc2F)c1[O-] ZINC000743043024 575042060 /nfs/dbraw/zinc/04/20/60/575042060.db2.gz PMNQBYMJPZZHOK-UWVJOHFNSA-N -1 3 299.305 2.218 20 30 CEEDHM C#CCN(CC#CC)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000744409740 575120968 /nfs/dbraw/zinc/12/09/68/575120968.db2.gz GLEUUPHAKADCNV-UHFFFAOYSA-N -1 3 295.338 2.266 20 30 CEEDHM O=C1[N-]c2c(cccc2F)C1=NOCc1cccnc1 ZINC000746585551 575160127 /nfs/dbraw/zinc/16/01/27/575160127.db2.gz HIWORKCPCSJNAB-UHFFFAOYSA-N -1 3 271.251 2.094 20 30 CEEDHM Cc1cccnc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000750683653 575272117 /nfs/dbraw/zinc/27/21/17/575272117.db2.gz HXWCDHPEYZEMPQ-ZDUSSCGKSA-N -1 3 279.299 2.351 20 30 CEEDHM CCCC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821009590 607254670 /nfs/dbraw/zinc/25/46/70/607254670.db2.gz WKJHRFMCROBGHZ-UHFFFAOYSA-N -1 3 258.329 2.132 20 30 CEEDHM CCCC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821009590 607254671 /nfs/dbraw/zinc/25/46/71/607254671.db2.gz WKJHRFMCROBGHZ-UHFFFAOYSA-N -1 3 258.329 2.132 20 30 CEEDHM Clc1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822578822 599342401 /nfs/dbraw/zinc/34/24/01/599342401.db2.gz PUPRPUOBUHGFKD-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM Clc1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822578822 599342404 /nfs/dbraw/zinc/34/24/04/599342404.db2.gz PUPRPUOBUHGFKD-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM COc1ccc(C#N)cc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000131418197 597352372 /nfs/dbraw/zinc/35/23/72/597352372.db2.gz VKXWLFJRIUSOBW-CYBMUJFWSA-N -1 3 288.347 2.254 20 30 CEEDHM N#Cc1cccc(CN2CCCC[C@@H]2C(=O)[O-])c1F ZINC000222386451 598172375 /nfs/dbraw/zinc/17/23/75/598172375.db2.gz YHQXGCNRDCRDRR-GFCCVEGCSA-N -1 3 262.284 2.136 20 30 CEEDHM CC(C)CCN(CCC#N)c1ncccc1-c1nnn[n-]1 ZINC000820076575 607381114 /nfs/dbraw/zinc/38/11/14/607381114.db2.gz NPYPNRNRSLLHEU-UHFFFAOYSA-N -1 3 285.355 2.028 20 30 CEEDHM CC(C)CCN(CCC#N)c1ncccc1-c1nn[n-]n1 ZINC000820076575 607381116 /nfs/dbraw/zinc/38/11/16/607381116.db2.gz NPYPNRNRSLLHEU-UHFFFAOYSA-N -1 3 285.355 2.028 20 30 CEEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CC2(CCC2)C1 ZINC000823742942 607466668 /nfs/dbraw/zinc/46/66/68/607466668.db2.gz OCMAEXQKJIWOEG-UHFFFAOYSA-N -1 3 282.351 2.276 20 30 CEEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CC2(CCC2)C1 ZINC000823742942 607466670 /nfs/dbraw/zinc/46/66/70/607466670.db2.gz OCMAEXQKJIWOEG-UHFFFAOYSA-N -1 3 282.351 2.276 20 30 CEEDHM C[C@H](CN(C)Cc1ccc(C#N)cc1OC(F)F)C(=O)[O-] ZINC000827442496 601531880 /nfs/dbraw/zinc/53/18/80/601531880.db2.gz NWLMWKQPTDOAJR-SECBINFHSA-N -1 3 298.289 2.312 20 30 CEEDHM COc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826210034 607571338 /nfs/dbraw/zinc/57/13/38/607571338.db2.gz BKKGCADWGSKSMI-UHFFFAOYSA-N -1 3 294.318 2.321 20 30 CEEDHM COc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826210034 607571340 /nfs/dbraw/zinc/57/13/40/607571340.db2.gz BKKGCADWGSKSMI-UHFFFAOYSA-N -1 3 294.318 2.321 20 30 CEEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825624386 603819719 /nfs/dbraw/zinc/81/97/19/603819719.db2.gz WVXSGHSSCLKCPH-FZMZJTMJSA-N -1 3 273.336 2.303 20 30 CEEDHM CN(C[C@H]1CCCN1Cc1ccc(C#N)cc1)C(=O)[O-] ZINC000828229883 604102524 /nfs/dbraw/zinc/10/25/24/604102524.db2.gz IVKTVEHIKXCQQV-CQSZACIVSA-N -1 3 273.336 2.132 20 30 CEEDHM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H]1C ZINC000833615509 604613515 /nfs/dbraw/zinc/61/35/15/604613515.db2.gz FRDPMCTUDZEOEP-MNOVXSKESA-N -1 3 258.321 2.487 20 30 CEEDHM C[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000833627073 604916946 /nfs/dbraw/zinc/91/69/46/604916946.db2.gz QIUIXWNUFHZIFN-RISCZKNCSA-N -1 3 277.751 2.344 20 30 CEEDHM C=C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000819729473 606801855 /nfs/dbraw/zinc/80/18/55/606801855.db2.gz HASIRFDNSOMPBQ-ZCFIWIBFSA-N -1 3 284.245 2.267 20 30 CEEDHM C=C[C@@H](C)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000819729473 606801857 /nfs/dbraw/zinc/80/18/57/606801857.db2.gz HASIRFDNSOMPBQ-ZCFIWIBFSA-N -1 3 284.245 2.267 20 30 CEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000822928259 606811262 /nfs/dbraw/zinc/81/12/62/606811262.db2.gz FVXOJZGSSYRQAM-VOTSOKGWSA-N -1 3 266.260 2.356 20 30 CEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000822928259 606811264 /nfs/dbraw/zinc/81/12/64/606811264.db2.gz FVXOJZGSSYRQAM-VOTSOKGWSA-N -1 3 266.260 2.356 20 30 CEEDHM CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000825270595 607848654 /nfs/dbraw/zinc/84/86/54/607848654.db2.gz AEZBIIKAJWOMJY-UHFFFAOYSA-N -1 3 290.371 2.285 20 30 CEEDHM CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000825270595 607848655 /nfs/dbraw/zinc/84/86/55/607848655.db2.gz AEZBIIKAJWOMJY-UHFFFAOYSA-N -1 3 290.371 2.285 20 30 CEEDHM C#CC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000823837307 607936209 /nfs/dbraw/zinc/93/62/09/607936209.db2.gz AUUAAOYSKMHGLC-CQSZACIVSA-N -1 3 290.330 2.438 20 30 CEEDHM C#CC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000823837307 607936210 /nfs/dbraw/zinc/93/62/10/607936210.db2.gz AUUAAOYSKMHGLC-CQSZACIVSA-N -1 3 290.330 2.438 20 30 CEEDHM N#CCC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826380659 609388374 /nfs/dbraw/zinc/38/83/74/609388374.db2.gz IUBWOZFRWLRJFP-UHFFFAOYSA-N -1 3 286.314 2.136 20 30 CEEDHM N#CCC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826380659 609388376 /nfs/dbraw/zinc/38/83/76/609388376.db2.gz IUBWOZFRWLRJFP-UHFFFAOYSA-N -1 3 286.314 2.136 20 30 CEEDHM CC(C)(C#N)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824058914 609389257 /nfs/dbraw/zinc/38/92/57/609389257.db2.gz ITQAVGZQOATLEO-UHFFFAOYSA-N -1 3 276.731 2.482 20 30 CEEDHM CC(C)(C#N)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824058914 609389258 /nfs/dbraw/zinc/38/92/58/609389258.db2.gz ITQAVGZQOATLEO-UHFFFAOYSA-N -1 3 276.731 2.482 20 30 CEEDHM C=CCOCCNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823932381 609574290 /nfs/dbraw/zinc/57/42/90/609574290.db2.gz WBWTVQXPJVZIIA-UHFFFAOYSA-N -1 3 296.334 2.029 20 30 CEEDHM C=CCOCCNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823932381 609574293 /nfs/dbraw/zinc/57/42/93/609574293.db2.gz WBWTVQXPJVZIIA-UHFFFAOYSA-N -1 3 296.334 2.029 20 30 CEEDHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825049501 609584616 /nfs/dbraw/zinc/58/46/16/609584616.db2.gz BSLQUPRJDIPVIW-UWVGGRQHSA-N -1 3 298.350 2.359 20 30 CEEDHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825049501 609584618 /nfs/dbraw/zinc/58/46/18/609584618.db2.gz BSLQUPRJDIPVIW-UWVGGRQHSA-N -1 3 298.350 2.359 20 30 CEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC[C@](C)(C#N)C2)n1 ZINC000826262599 609600936 /nfs/dbraw/zinc/60/09/36/609600936.db2.gz SWBBJLKGDRBGDZ-OAHLLOKOSA-N -1 3 297.366 2.009 20 30 CEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC[C@](C)(C#N)C2)n1 ZINC000826262599 609600939 /nfs/dbraw/zinc/60/09/39/609600939.db2.gz SWBBJLKGDRBGDZ-OAHLLOKOSA-N -1 3 297.366 2.009 20 30 CEEDHM CC[C@@H](O)CNN=C(C)c1cc(Cl)ccc1[O-] ZINC000811653350 622638210 /nfs/dbraw/zinc/63/82/10/622638210.db2.gz CIYWDUCNOWULIR-SNVBAGLBSA-N -1 3 256.733 2.130 20 30 CEEDHM C[C@@H]1CCc2[nH]nc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000892480702 625617621 /nfs/dbraw/zinc/61/76/21/625617621.db2.gz IZXLQLGOLBDXRT-PWSUYJOCSA-N -1 3 280.331 2.420 20 30 CEEDHM C[C@H]1CCc2[nH]nc(C([O-])=C(C#N)c3ccccn3)c2C1 ZINC000892480701 625617699 /nfs/dbraw/zinc/61/76/99/625617699.db2.gz IZXLQLGOLBDXRT-JQWIXIFHSA-N -1 3 280.331 2.420 20 30 CEEDHM C=C(C)CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000846537610 623386491 /nfs/dbraw/zinc/38/64/91/623386491.db2.gz NVPDBGLJKFNBDG-UHFFFAOYSA-N -1 3 264.281 2.151 20 30 CEEDHM C#Cc1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000901983159 634405232 /nfs/dbraw/zinc/40/52/32/634405232.db2.gz AWRIPEXLQKHMMJ-AWEZNQCLSA-N -1 3 275.373 2.060 20 30 CEEDHM N#Cc1ccc(OC2CCN(c3cc(=O)[n-]cn3)CC2)cc1 ZINC000892325908 624764549 /nfs/dbraw/zinc/76/45/49/624764549.db2.gz OXIOUQXVPPJILM-UHFFFAOYSA-N -1 3 296.330 2.102 20 30 CEEDHM N#CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893983518 629076317 /nfs/dbraw/zinc/07/63/17/629076317.db2.gz CTADCWCXZUMBPM-UHFFFAOYSA-N -1 3 252.264 2.406 20 30 CEEDHM C=CCO[N-]C(=O)C[C@H](C)Cc1cccc(OC)c1 ZINC000821891526 634820039 /nfs/dbraw/zinc/82/00/39/634820039.db2.gz GARNBBPTMNEVST-GFCCVEGCSA-N -1 3 263.337 2.498 20 30 CEEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(C)C ZINC000798472478 630877765 /nfs/dbraw/zinc/87/77/65/630877765.db2.gz NVXRLFXBCZTDRH-NSHDSACASA-N -1 3 289.759 2.415 20 30 CEEDHM C#C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(C)C ZINC000799043547 630964727 /nfs/dbraw/zinc/96/47/27/630964727.db2.gz PJTMHCPDMAMYLS-ZDUSSCGKSA-N -1 3 295.285 2.245 20 30 CEEDHM C=C(Cl)COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800263602 631103691 /nfs/dbraw/zinc/10/36/91/631103691.db2.gz MXRJHONFCFEOPH-UHFFFAOYSA-N -1 3 255.636 2.006 20 30 CEEDHM C=C(Cl)COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800263602 631103695 /nfs/dbraw/zinc/10/36/95/631103695.db2.gz MXRJHONFCFEOPH-UHFFFAOYSA-N -1 3 255.636 2.006 20 30 CEEDHM C=C(Cl)COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800263602 631103700 /nfs/dbraw/zinc/10/37/00/631103700.db2.gz MXRJHONFCFEOPH-UHFFFAOYSA-N -1 3 255.636 2.006 20 30 CEEDHM Cc1cc(C#N)ccc1N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000897346770 631152507 /nfs/dbraw/zinc/15/25/07/631152507.db2.gz YDIHQVDVCPXAGA-ZDUSSCGKSA-N -1 3 295.346 2.053 20 30 CEEDHM CCN1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1=O ZINC000801646984 631303376 /nfs/dbraw/zinc/30/33/76/631303376.db2.gz ZGCPLFFGWLLYCW-LWHXSLQUSA-N -1 3 266.728 2.085 20 30 CEEDHM CC(C)(O)c1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000807965256 631893091 /nfs/dbraw/zinc/89/30/91/631893091.db2.gz PIEFBIMSRASCLO-UHFFFAOYSA-N -1 3 296.334 2.026 20 30 CEEDHM C=C1CCC(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)CC1 ZINC000898226063 632126627 /nfs/dbraw/zinc/12/66/27/632126627.db2.gz IOQHQVFBKQVUSR-GFCCVEGCSA-N -1 3 275.352 2.178 20 30 CEEDHM CCc1nnc([C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000811185628 632353806 /nfs/dbraw/zinc/35/38/06/632353806.db2.gz PWZKEPKFPDUXEW-QMMMGPOBSA-N -1 3 287.275 2.127 20 30 CEEDHM CCc1nnc([C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000811185627 632353966 /nfs/dbraw/zinc/35/39/66/632353966.db2.gz PWZKEPKFPDUXEW-MRVPVSSYSA-N -1 3 287.275 2.127 20 30 CEEDHM CSCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186745 632354566 /nfs/dbraw/zinc/35/45/66/632354566.db2.gz XDSGPACTMDJKDP-UHFFFAOYSA-N -1 3 251.307 2.174 20 30 CEEDHM CCCC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)OC ZINC000811187018 632354604 /nfs/dbraw/zinc/35/46/04/632354604.db2.gz HBWBYEUALMPXNL-ZDUSSCGKSA-N -1 3 291.303 2.152 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)OCC[C@H]2CCCC2=O)c1 ZINC000811187349 632354707 /nfs/dbraw/zinc/35/47/07/632354707.db2.gz PAZRHXKCYRBFEP-LLVKDONJSA-N -1 3 273.288 2.180 20 30 CEEDHM Cc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)nc1 ZINC000811188791 632354845 /nfs/dbraw/zinc/35/48/45/632354845.db2.gz XTHWMAHIVULGJX-UHFFFAOYSA-N -1 3 268.272 2.324 20 30 CEEDHM CC[C@@H](NCc1nncn1CC)c1cccc(C#N)c1[O-] ZINC000924685027 632419082 /nfs/dbraw/zinc/41/90/82/632419082.db2.gz NLHDFSAYVUFDOK-CYBMUJFWSA-N -1 3 285.351 2.116 20 30 CEEDHM C[C@@H]1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000814814829 632903096 /nfs/dbraw/zinc/90/30/96/632903096.db2.gz BKQVISFKASPBGG-LLVKDONJSA-N -1 3 266.366 2.282 20 30 CEEDHM Cn1[n-]ccc1=NN=C1CS[C@@H](C(C)(C)C)C1 ZINC000814907319 632921440 /nfs/dbraw/zinc/92/14/40/632921440.db2.gz DHTGZPTZWOIFED-SNVBAGLBSA-N -1 3 252.387 2.162 20 30 CEEDHM C=CCN(CC(=O)OCC)Cc1c(F)ccc([O-])c1F ZINC000816491404 633400140 /nfs/dbraw/zinc/40/01/40/633400140.db2.gz KMWVWKGCLJENPV-UHFFFAOYSA-N -1 3 285.290 2.222 20 30 CEEDHM CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000900456242 633730342 /nfs/dbraw/zinc/73/03/42/633730342.db2.gz HYWBEHDPZYKJPR-ZIAGYGMSSA-N -1 3 298.427 2.388 20 30 CEEDHM CCCCCCCC[C@H](N)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000900457809 633731901 /nfs/dbraw/zinc/73/19/01/633731901.db2.gz NIPYNIWYOQDPEX-BBRMVZONSA-N -1 3 298.427 2.388 20 30 CEEDHM C=CCn1cc(CN[C@@H](C)c2ccc(F)cc2[O-])nn1 ZINC000818347888 633915245 /nfs/dbraw/zinc/91/52/45/633915245.db2.gz WNLQUJZFYASXOX-JTQLQIEISA-N -1 3 276.315 2.160 20 30 CEEDHM C[C@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000901371569 634075801 /nfs/dbraw/zinc/07/58/01/634075801.db2.gz DXTLMWQJVVLCNW-CMPLNLGQSA-N -1 3 267.300 2.359 20 30 CEEDHM Cc1cc(C(C#N)=C([O-])C=C[C@H]2CCCO2)nc(C)n1 ZINC000819941329 634292032 /nfs/dbraw/zinc/29/20/32/634292032.db2.gz KETMLUIVCWCLAA-PBJSTTKNSA-N -1 3 271.320 2.005 20 30 CEEDHM 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CEEDHM C=CCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000735408835 574756859 /nfs/dbraw/zinc/75/68/59/574756859.db2.gz SCYFRXCDKAAIJI-JTQLQIEISA-N -1 3 272.308 2.437 20 30 CEEDHM C=CCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000735408835 574756862 /nfs/dbraw/zinc/75/68/62/574756862.db2.gz SCYFRXCDKAAIJI-JTQLQIEISA-N -1 3 272.308 2.437 20 30 CEEDHM C=CC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735409697 574757386 /nfs/dbraw/zinc/75/73/86/574757386.db2.gz IWGJYLSTAMHIKO-UHFFFAOYSA-N -1 3 273.315 2.408 20 30 CEEDHM C=CC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735409697 574757387 /nfs/dbraw/zinc/75/73/87/574757387.db2.gz IWGJYLSTAMHIKO-UHFFFAOYSA-N -1 3 273.315 2.408 20 30 CEEDHM CC(C)CCOCCN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736431837 574787892 /nfs/dbraw/zinc/78/78/92/574787892.db2.gz HANLSLBURNJTDF-OAHLLOKOSA-N -1 3 290.363 2.336 20 30 CEEDHM Cc1ncccc1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000737500143 574836574 /nfs/dbraw/zinc/83/65/74/574836574.db2.gz CUGYCQMNEIJUGH-UHFFFAOYSA-N -1 3 279.307 2.016 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CC(C)c1nn(C)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000514606464 266019689 /nfs/dbraw/zinc/01/96/89/266019689.db2.gz XPUAWWCRVOVGOY-UHFFFAOYSA-N -1 3 298.412 2.225 20 30 CEEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)c1ncc(C)o1 ZINC000356168883 266061431 /nfs/dbraw/zinc/06/14/31/266061431.db2.gz SMGBSJYJHXFJRE-QMMMGPOBSA-N -1 3 266.326 2.319 20 30 CEEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)C(F)F ZINC000451076584 267195495 /nfs/dbraw/zinc/19/54/95/267195495.db2.gz AFOPRSLKYPRSQK-SNVBAGLBSA-N -1 3 292.282 2.019 20 30 CEEDHM N#Cc1cccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000255515408 280501602 /nfs/dbraw/zinc/50/16/02/280501602.db2.gz WRIZTKCVJKOVLX-ZPIQOJFGSA-N -1 3 272.304 2.146 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)c1C#N ZINC000339119156 302016660 /nfs/dbraw/zinc/01/66/60/302016660.db2.gz KYSYBNGSFDDFFU-VXGBXAGGSA-N -1 3 282.340 2.036 20 30 CEEDHM N#C[C@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000335971991 303167397 /nfs/dbraw/zinc/16/73/97/303167397.db2.gz NPJCBVYZZMBPDP-ZWNOBZJWSA-N -1 3 278.739 2.397 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)s1 ZINC000563021617 313715745 /nfs/dbraw/zinc/71/57/45/313715745.db2.gz SSUNVYGVKHFMHK-JQWIXIFHSA-N -1 3 296.417 2.334 20 30 CEEDHM CC1(C#N)CN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000436594224 328171923 /nfs/dbraw/zinc/17/19/23/328171923.db2.gz FZILTXGSKMZMIF-UHFFFAOYSA-N -1 3 286.331 2.091 20 30 CEEDHM C[C@H](CCO)C1(C/N=C/c2ccc(O)c([O-])c2O)CCC1 ZINC000271859235 328198358 /nfs/dbraw/zinc/19/83/58/328198358.db2.gz YEQYUJRMPFPAKB-LBFZPMSMSA-N -1 3 293.363 2.411 20 30 CEEDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c(F)c1 ZINC000291032714 328262072 /nfs/dbraw/zinc/26/20/72/328262072.db2.gz YZZUHRUSGMBLBM-CYBMUJFWSA-N -1 3 282.340 2.105 20 30 CEEDHM C#CCO[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000291362230 328534230 /nfs/dbraw/zinc/53/42/30/328534230.db2.gz YLHLBBGHXFVYGZ-NWDGAFQWSA-N -1 3 283.249 2.490 20 30 CEEDHM C=CCCS(=O)(=O)[N-][C@H]1COc2cccc(Cl)c21 ZINC000377364039 329012791 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C=C[C@H](C)O[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000846546190 641335569 /nfs/dbraw/zinc/33/55/69/641335569.db2.gz SQAIPMWDPPIZQK-QMMMGPOBSA-N -1 3 284.699 2.413 20 30 CEEDHM Cc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c2ccccc12 ZINC000848133054 641902553 /nfs/dbraw/zinc/90/25/53/641902553.db2.gz ZARDZAPSLONXHW-OAHLLOKOSA-N -1 3 298.342 2.258 20 30 CEEDHM O=C(CCC1CCCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000848130731 641902632 /nfs/dbraw/zinc/90/26/32/641902632.db2.gz PTYUAYNTAPDGEH-CYBMUJFWSA-N -1 3 282.384 2.233 20 30 CEEDHM O=C([O-])c1ccc(N=NC2CCCN3CCCC[C@@H]23)cn1 ZINC000848412294 641982975 /nfs/dbraw/zinc/98/29/75/641982975.db2.gz MYULCAWBNZFKON-AWEZNQCLSA-N -1 3 288.351 2.196 20 30 CEEDHM COc1cc(C(=O)OCC2(CC#N)CC2)cc(OC)c1[O-] ZINC000849746911 642435534 /nfs/dbraw/zinc/43/55/34/642435534.db2.gz DVNMGLKJHMHHIE-UHFFFAOYSA-N -1 3 291.303 2.260 20 30 CEEDHM N#CCC1(COC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000849795635 642464934 /nfs/dbraw/zinc/46/49/34/642464934.db2.gz FNMLOFHKYDVDIS-UHFFFAOYSA-N -1 3 263.268 2.311 20 30 CEEDHM C=C(C)CO[N-]C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000855026708 644233548 /nfs/dbraw/zinc/23/35/48/644233548.db2.gz NCOWSDSRQAEWHZ-VIFPVBQESA-N -1 3 277.246 2.001 20 30 CEEDHM Cn1c2ccccc2sc1=NN=Cc1ccc([O-])cn1 ZINC000755482007 644522421 /nfs/dbraw/zinc/52/24/21/644522421.db2.gz UGPHYKRZFUOFSM-UHFFFAOYSA-N -1 3 284.344 2.275 20 30 CEEDHM C#C[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CCOCC1 ZINC000856103386 644569912 /nfs/dbraw/zinc/56/99/12/644569912.db2.gz LERIWCDYXUYFON-AWEZNQCLSA-N -1 3 293.750 2.204 20 30 CEEDHM C#C[C@@H](NC(=O)c1cc(CC)ccc1[O-])C1CCOCC1 ZINC000856105747 644570832 /nfs/dbraw/zinc/57/08/32/644570832.db2.gz DVLJYECRWSBZGZ-OAHLLOKOSA-N -1 3 287.359 2.113 20 30 CEEDHM C=C(C)[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000755997338 644592270 /nfs/dbraw/zinc/59/22/70/644592270.db2.gz RSCWOMBDUTXLQD-JTQLQIEISA-N -1 3 283.349 2.180 20 30 CEEDHM N#CC(=C([O-])c1ccc(-n2cccc2)nc1)c1ccncn1 ZINC000760357104 645146710 /nfs/dbraw/zinc/14/67/10/645146710.db2.gz 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C=C1CC(C)(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000879345533 651290824 /nfs/dbraw/zinc/29/08/24/651290824.db2.gz ONRMCHQAKVDPRT-NSHDSACASA-N -1 3 298.383 2.304 20 30 CEEDHM COc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1C#N ZINC000880879932 651539281 /nfs/dbraw/zinc/53/92/81/651539281.db2.gz DWQADHKHZQOGAN-CYBMUJFWSA-N -1 3 291.307 2.147 20 30 CEEDHM COc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1C#N ZINC000880879932 651539285 /nfs/dbraw/zinc/53/92/85/651539285.db2.gz DWQADHKHZQOGAN-CYBMUJFWSA-N -1 3 291.307 2.147 20 30 CEEDHM C#CC1(F)CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000881940916 651920083 /nfs/dbraw/zinc/92/00/83/651920083.db2.gz QZDLODVFQXLNGC-UHFFFAOYSA-N -1 3 279.286 2.038 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-]C1(c2ncccn2)CCC1 ZINC000882002473 651935603 /nfs/dbraw/zinc/93/56/03/651935603.db2.gz LZQQRCNJVNKUSB-UHFFFAOYSA-N -1 3 267.279 2.183 20 30 CEEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885212861 652993005 /nfs/dbraw/zinc/99/30/05/652993005.db2.gz VQADNIIKZBPKHW-LBPRGKRZSA-N -1 3 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ZINC000596137330 345948590 /nfs/dbraw/zinc/94/85/90/345948590.db2.gz RSWBAXSFGJKTMW-SFYZADRCSA-N -1 3 271.773 2.053 20 30 CEEDHM C[C@H]1COCC[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596229352 345975015 /nfs/dbraw/zinc/97/50/15/345975015.db2.gz LGNXJQDLIAIZCE-JGVFFNPUSA-N -1 3 271.773 2.175 20 30 CEEDHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)CC#N)[nH][n-]1 ZINC000597466704 346189630 /nfs/dbraw/zinc/18/96/30/346189630.db2.gz IGAYUIILFPVGBR-LLVKDONJSA-N -1 3 268.320 2.295 20 30 CEEDHM CC(C)(C#N)CC(=O)NCc1ccc([O-])c2ncccc12 ZINC000597732180 346223823 /nfs/dbraw/zinc/22/38/23/346223823.db2.gz KDXXEYXSLVOMJL-UHFFFAOYSA-N -1 3 283.331 2.496 20 30 CEEDHM N#CC[C@@H]1CCCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)C1 ZINC000597899556 346248191 /nfs/dbraw/zinc/24/81/91/346248191.db2.gz BMKIPNOUYRDSMP-JTQLQIEISA-N -1 3 284.319 2.034 20 30 CEEDHM CCN(C(=O)c1cc([O-])ccc1Cl)[C@H](C)C#N ZINC000598361516 346338784 /nfs/dbraw/zinc/33/87/84/346338784.db2.gz KBEZYXWIBOTKGA-MRVPVSSYSA-N -1 3 252.701 2.420 20 30 CEEDHM C[C@H](CC#N)NCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000602870575 347232958 /nfs/dbraw/zinc/23/29/58/347232958.db2.gz NLXKFCXEAAFSKK-LLVKDONJSA-N -1 3 268.320 2.241 20 30 CEEDHM N#Cc1cncc(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000336841604 365915396 /nfs/dbraw/zinc/91/53/96/365915396.db2.gz SDFMBEIHVODFDC-UHFFFAOYSA-N -1 3 295.270 2.032 20 30 CEEDHM C=CCOCCCC(=O)Nc1nc(C)ccc1[O-] ZINC000273443276 192153499 /nfs/dbraw/zinc/15/34/99/192153499.db2.gz GJNRFUWSNBZRAI-UHFFFAOYSA-N -1 3 250.298 2.017 20 30 CEEDHM C=CC[C@H]1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000628491915 351116840 /nfs/dbraw/zinc/11/68/40/351116840.db2.gz KMUJUIREMXOCAC-JTQLQIEISA-N -1 3 273.336 2.098 20 30 CEEDHM Cc1nc(C(=O)Nc2ccccc2[O-])ccc1C#N ZINC000073688546 363241423 /nfs/dbraw/zinc/24/14/23/363241423.db2.gz UCDVXKACJZGUAO-UHFFFAOYSA-N -1 3 253.261 2.220 20 30 CEEDHM CC(C)[C@@H](C/N=C/c1ccccc1[O-])N1CCOCC1 ZINC000073741897 363244142 /nfs/dbraw/zinc/24/41/42/363244142.db2.gz CKBKALDPHBGQBQ-QAEAHILHSA-N -1 3 276.380 2.168 20 30 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CC(C)CNN=Cc1cc(C(=O)[O-])ccc1N(C)C ZINC001120245033 815206439 /nfs/dbraw/zinc/20/64/39/815206439.db2.gz DJPOGOBMXDLZGW-UHFFFAOYSA-N -1 3 263.341 2.030 20 30 CEEDHM Cc1cc(C)c(C#N)c(NCc2ncccc2[O-])n1 ZINC001169731564 811649159 /nfs/dbraw/zinc/64/91/59/811649159.db2.gz ALASRIKWUJOGPV-UHFFFAOYSA-N -1 3 254.293 2.283 20 30 CEEDHM O=C1NCc2ccccc2[C@@H]1Nc1cccc(/C=N/[O-])c1 ZINC001169885081 811691853 /nfs/dbraw/zinc/69/18/53/811691853.db2.gz FMZPQBCYCGOEKA-UPAIAECRSA-N -1 3 281.315 2.278 20 30 CEEDHM C#Cc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC001144392721 814047246 /nfs/dbraw/zinc/04/72/46/814047246.db2.gz NOCDCAPNFPPJQL-UHFFFAOYSA-N -1 3 295.342 2.137 20 30 CEEDHM Cc1noc([N-]C(=O)[C@H](O)c2cccc(Cl)c2)c1C#N ZINC001144815971 814189144 /nfs/dbraw/zinc/18/91/44/814189144.db2.gz UBIQWQQKDYTJRQ-LLVKDONJSA-N -1 3 291.694 2.180 20 30 CEEDHM C#Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001148218512 814537650 /nfs/dbraw/zinc/53/76/50/814537650.db2.gz CKIDCNRQKWSQBM-UHFFFAOYSA-N -1 3 271.247 2.471 20 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261191598 /nfs/dbraw/zinc/19/15/98/261191598.db2.gz SGFPBBWGANVTTQ-UHFFFAOYSA-N -1 3 282.347 2.366 20 30 CEEDHM C#CCN(C(=O)c1cccc2n[n-]nc21)C1CCCCC1 ZINC000490714874 261191601 /nfs/dbraw/zinc/19/16/01/261191601.db2.gz SGFPBBWGANVTTQ-UHFFFAOYSA-N -1 3 282.347 2.366 20 30 CEEDHM C#C[C@H](C)N(C)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000491181055 261362529 /nfs/dbraw/zinc/36/25/29/261362529.db2.gz QAKMXDQVILATDI-JTQLQIEISA-N -1 3 286.306 2.069 20 30 CEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc(O)c2[O-])C1 ZINC000185676982 262066021 /nfs/dbraw/zinc/06/60/21/262066021.db2.gz AUHBLSUSHPZFLF-BMIGLBTASA-N -1 3 274.320 2.300 20 30 CEEDHM CCc1ccc(C(=O)N2CCC(C#N)CC2)c([O-])c1 ZINC000190664285 262184816 /nfs/dbraw/zinc/18/48/16/262184816.db2.gz JURBNAFPHINOFQ-UHFFFAOYSA-N -1 3 258.321 2.330 20 30 CEEDHM CCCCCCCCCNC(=O)C(=O)[N-]c1cnns1 ZINC000191972482 262196836 /nfs/dbraw/zinc/19/68/36/262196836.db2.gz UJBZRLZAGSTAHF-UHFFFAOYSA-N -1 3 298.412 2.343 20 30 CEEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C 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C#C[C@H]1CC[C@H](NC(=O)c2ccc(OC)cc2[O-])CC1 ZINC000874866087 649859038 /nfs/dbraw/zinc/85/90/38/649859038.db2.gz BTQMRULSUCXMHV-HAQNSBGRSA-N -1 3 273.332 2.323 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1CNCc1c(F)ccc([O-])c1F ZINC000425356941 264131216 /nfs/dbraw/zinc/13/12/16/264131216.db2.gz RDURZJIPLIQHEZ-ZANVPECISA-N -1 3 269.291 2.351 20 30 CEEDHM CC(=O)c1ccc(C(=O)NC[C@]2(O)CCC[C@H]2C)cc1[O-] ZINC000331320164 264188793 /nfs/dbraw/zinc/18/87/93/264188793.db2.gz DVTRLBMABRMZDM-QLJPJBMISA-N -1 3 291.347 2.451 20 30 CEEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)C(F)F ZINC000451626246 267223578 /nfs/dbraw/zinc/22/35/78/267223578.db2.gz SBPSBOAPBMYHTB-JTQLQIEISA-N -1 3 288.319 2.189 20 30 CEEDHM N#Cc1cccc(/C=C/C(=O)[N-]OCc2cccnc2)c1 ZINC000152524504 289092037 /nfs/dbraw/zinc/09/20/37/289092037.db2.gz AKKHGLLRBNRWKX-VOTSOKGWSA-N -1 3 279.299 2.214 20 30 CEEDHM O=C(C/N=C/c1ccc(O)c([O-])c1O)OC1CCCCC1 ZINC000267616196 328179675 /nfs/dbraw/zinc/17/96/75/328179675.db2.gz HNEBGCYWIVPIOB-LZYBPNLTSA-N -1 3 293.319 2.098 20 30 CEEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cncc(Cl)c2)C1 ZINC000295850549 328287564 /nfs/dbraw/zinc/28/75/64/328287564.db2.gz XDCVJSYLDQNGCK-ONGXEEELSA-N -1 3 299.783 2.096 20 30 CEEDHM CCc1ncc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)s1 ZINC000049175280 328345575 /nfs/dbraw/zinc/34/55/75/328345575.db2.gz SSKSNIUQZXIGKH-UHFFFAOYSA-N -1 3 291.258 2.479 20 30 CEEDHM CCc1ncc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)s1 ZINC000049175280 328345577 /nfs/dbraw/zinc/34/55/77/328345577.db2.gz SSKSNIUQZXIGKH-UHFFFAOYSA-N -1 3 291.258 2.479 20 30 CEEDHM N#CC1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000584265387 327204054 /nfs/dbraw/zinc/20/40/54/327204054.db2.gz QXPVGYHKJSIEMR-UHFFFAOYSA-N -1 3 296.295 2.101 20 30 CEEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccn(C)c3)nc1-2 ZINC000357658257 328874094 /nfs/dbraw/zinc/87/40/94/328874094.db2.gz RJDKGUNYFAKIBV-LLVKDONJSA-N -1 3 279.303 2.095 20 30 CEEDHM N#CCCC1CCN(S(=O)(=O)c2ccc([O-])cc2)CC1 ZINC000572117016 329945956 /nfs/dbraw/zinc/94/59/56/329945956.db2.gz PDWWRLLGXKZLGD-UHFFFAOYSA-N -1 3 294.376 2.097 20 30 CEEDHM C=CCCS(=O)(=O)[N-]c1cc(NC(C)=O)ccc1F ZINC000119918697 330380246 /nfs/dbraw/zinc/38/02/46/330380246.db2.gz UDBUDVSJZZQWSD-UHFFFAOYSA-N -1 3 286.328 2.102 20 30 CEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000456261818 331187797 /nfs/dbraw/zinc/18/77/97/331187797.db2.gz JQQDOCXSCRMJEG-KGLIPLIRSA-N -1 3 275.348 2.472 20 30 CEEDHM COc1cc(C(=O)NCC(C)(C)CC#N)cc(OC)c1[O-] ZINC000457993427 331239728 /nfs/dbraw/zinc/23/97/28/331239728.db2.gz MUWFGBRKANCPMM-UHFFFAOYSA-N -1 3 292.335 2.079 20 30 CEEDHM C#CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000490556631 332091828 /nfs/dbraw/zinc/09/18/28/332091828.db2.gz OHOVHVCKDYVPCR-UHFFFAOYSA-N -1 3 278.160 2.213 20 30 CEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000491638229 332259022 /nfs/dbraw/zinc/25/90/22/332259022.db2.gz NKEONGLCXSXCAW-LLVKDONJSA-N -1 3 257.333 2.365 20 30 CEEDHM C#CCN(Cc1ccccc1)C(=O)c1csc(=NCC)[n-]1 ZINC000491767152 332334738 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574466214 /nfs/dbraw/zinc/46/62/14/574466214.db2.gz XVBUCVCQTLCZFP-UHFFFAOYSA-N -1 3 276.271 2.166 20 30 CEEDHM O=C1Nc2cc([O-])ccc2C1=NNCCCc1ccccc1 ZINC000729146245 574480558 /nfs/dbraw/zinc/48/05/58/574480558.db2.gz PXPCHZSJBRYVOP-UHFFFAOYSA-N -1 3 295.342 2.271 20 30 CEEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C)(C)C#N)cc2)n1 ZINC000195488801 574486214 /nfs/dbraw/zinc/48/62/14/574486214.db2.gz SRKFQLNFDBDISE-UHFFFAOYSA-N -1 3 296.330 2.234 20 30 CEEDHM Cc1cc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)nc(C)n1 ZINC000732712848 574626881 /nfs/dbraw/zinc/62/68/81/574626881.db2.gz QZEBMGNGLFMWAE-UHFFFAOYSA-N -1 3 299.309 2.309 20 30 CEEDHM CCOc1ccc(/C=N\[C@H]2CCN(C(C)C)C2=O)c([O-])c1 ZINC000734095633 574700505 /nfs/dbraw/zinc/70/05/05/574700505.db2.gz DRGUVYBYOSCWFB-XGHPXPSOSA-N -1 3 290.363 2.219 20 30 CEEDHM C=CCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735413165 574756112 /nfs/dbraw/zinc/75/61/12/574756112.db2.gz PFUXFSKARXVKKF-UHFFFAOYSA-N -1 3 288.311 2.177 20 30 CEEDHM C=CCCCN(C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735413165 574756113 /nfs/dbraw/zinc/75/61/13/574756113.db2.gz PFUXFSKARXVKKF-UHFFFAOYSA-N -1 3 288.311 2.177 20 30 CEEDHM C#CCOc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735388221 574755766 /nfs/dbraw/zinc/75/57/66/574755766.db2.gz UILMLSGMNRFACQ-UHFFFAOYSA-N -1 3 293.286 2.066 20 30 CEEDHM C#CCOc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735388221 574755768 /nfs/dbraw/zinc/75/57/68/574755768.db2.gz UILMLSGMNRFACQ-UHFFFAOYSA-N -1 3 293.286 2.066 20 30 CEEDHM C=CCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000735408833 574757049 /nfs/dbraw/zinc/75/70/49/574757049.db2.gz SAQSQFLYBXOLCV-UHFFFAOYSA-N -1 3 297.318 2.129 20 30 CEEDHM C=CCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735408833 574757051 /nfs/dbraw/zinc/75/70/51/574757051.db2.gz SAQSQFLYBXOLCV-UHFFFAOYSA-N -1 3 297.318 2.129 20 30 CEEDHM C=CCCCN(C)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735408841 574757059 /nfs/dbraw/zinc/75/70/59/574757059.db2.gz SFHBJWZXCCBLPX-ZHACJKMWSA-N -1 3 297.362 2.305 20 30 CEEDHM C=CCCCN(C)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735408841 574757062 /nfs/dbraw/zinc/75/70/62/574757062.db2.gz SFHBJWZXCCBLPX-ZHACJKMWSA-N -1 3 297.362 2.305 20 30 CEEDHM COc1cccc([O-])c1C=Nc1ccc2c(c1)C(=O)NC2 ZINC000746683469 575162584 /nfs/dbraw/zinc/16/25/84/575162584.db2.gz LTZZLBZQLRPNKQ-UHFFFAOYSA-N -1 3 282.299 2.395 20 30 CEEDHM COc1cc(C=NOCC(C)C)c([N+](=O)[O-])cc1[O-] ZINC000749631316 575228123 /nfs/dbraw/zinc/22/81/23/575228123.db2.gz KIWSDXXNOYXOSO-UHFFFAOYSA-N -1 3 268.269 2.316 20 30 CEEDHM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000752155297 575306069 /nfs/dbraw/zinc/30/60/69/575306069.db2.gz OPCLONOPHHCMTA-JTQLQIEISA-N -1 3 292.298 2.457 20 30 CEEDHM C[C@H](Nc1ccc(C#N)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820456112 599353753 /nfs/dbraw/zinc/35/37/53/599353753.db2.gz QBHWYNFVDRBGCB-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1ccc(C#N)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820456112 599353757 /nfs/dbraw/zinc/35/37/57/599353757.db2.gz QBHWYNFVDRBGCB-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C=C(Cl)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823883314 607385157 /nfs/dbraw/zinc/38/51/57/607385157.db2.gz OMBQFBBTWYRLCJ-UHFFFAOYSA-N -1 3 278.699 2.084 20 30 CEEDHM C=C(Cl)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823883314 607385158 /nfs/dbraw/zinc/38/51/58/607385158.db2.gz OMBQFBBTWYRLCJ-UHFFFAOYSA-N -1 3 278.699 2.084 20 30 CEEDHM C=C(C)CN1CCC(N(CC2CC2)C(=O)[O-])CC1 ZINC000823480480 604231497 /nfs/dbraw/zinc/23/14/97/604231497.db2.gz DMTQZAWMUFPIND-UHFFFAOYSA-N -1 3 252.358 2.417 20 30 CEEDHM C=C(C)CN(CC)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000833369469 604518468 /nfs/dbraw/zinc/51/84/68/604518468.db2.gz ZVWUPCOFKZCKPD-UHFFFAOYSA-N -1 3 279.384 2.373 20 30 CEEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(C[C@H](C#N)CCC#N)C1 ZINC000833421529 604940435 /nfs/dbraw/zinc/94/04/35/604940435.db2.gz QUQNBJYMMDGGAT-QWHCGFSZSA-N -1 3 277.368 2.253 20 30 CEEDHM COC[C@@](C)(CC(=O)[O-])NCC#Cc1cccc(Cl)c1 ZINC000833721990 604953973 /nfs/dbraw/zinc/95/39/73/604953973.db2.gz 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GGSGLVQENPQTEQ-UHFFFAOYSA-N -1 3 282.307 2.468 20 30 CEEDHM Cc1cc(C)c(C=NNc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC000822194296 607147100 /nfs/dbraw/zinc/14/71/00/607147100.db2.gz QYTZSRJTGVQMJY-UHFFFAOYSA-N -1 3 281.323 2.258 20 30 CEEDHM Cc1cc(C)c(C=NNc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000822194296 607147102 /nfs/dbraw/zinc/14/71/02/607147102.db2.gz QYTZSRJTGVQMJY-UHFFFAOYSA-N -1 3 281.323 2.258 20 30 CEEDHM CCC(CC)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000820898174 607148271 /nfs/dbraw/zinc/14/82/71/607148271.db2.gz VRWNNPKKYYUSNV-UHFFFAOYSA-N -1 3 297.366 2.460 20 30 CEEDHM CCC(CC)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000820898174 607148272 /nfs/dbraw/zinc/14/82/72/607148272.db2.gz VRWNNPKKYYUSNV-UHFFFAOYSA-N -1 3 297.366 2.460 20 30 CEEDHM C=CCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819734055 607190410 /nfs/dbraw/zinc/19/04/10/607190410.db2.gz HBUXVAQMPOWRHU-UHFFFAOYSA-N -1 3 277.715 2.425 20 30 CEEDHM C=CCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819734055 607190411 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N#Cc1ccc(CNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000158187770 608867415 /nfs/dbraw/zinc/86/74/15/608867415.db2.gz ZDNKAKZNECHYKC-UHFFFAOYSA-N -1 3 282.332 2.412 20 30 CEEDHM N#Cc1ccc(CNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000158187770 608867418 /nfs/dbraw/zinc/86/74/18/608867418.db2.gz ZDNKAKZNECHYKC-UHFFFAOYSA-N -1 3 282.332 2.412 20 30 CEEDHM C=C(Cl)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823882611 609299455 /nfs/dbraw/zinc/29/94/55/609299455.db2.gz ALLXYJACYQDPCE-UHFFFAOYSA-N -1 3 298.133 2.002 20 30 CEEDHM C=C(Cl)CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823882611 609299456 /nfs/dbraw/zinc/29/94/56/609299456.db2.gz ALLXYJACYQDPCE-UHFFFAOYSA-N -1 3 298.133 2.002 20 30 CEEDHM N#CC1(COc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826379852 609311474 /nfs/dbraw/zinc/31/14/74/609311474.db2.gz FDEKKRQISRFFNA-UHFFFAOYSA-N -1 3 275.699 2.203 20 30 CEEDHM N#CC1(COc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826379852 609311476 /nfs/dbraw/zinc/31/14/76/609311476.db2.gz FDEKKRQISRFFNA-UHFFFAOYSA-N -1 3 275.699 2.203 20 30 CEEDHM C=CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823919433 609427225 /nfs/dbraw/zinc/42/72/25/609427225.db2.gz FPWMVRVFYABIBQ-UHFFFAOYSA-N -1 3 292.346 2.454 20 30 CEEDHM C=CCN(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823919433 609427227 /nfs/dbraw/zinc/42/72/27/609427227.db2.gz FPWMVRVFYABIBQ-UHFFFAOYSA-N -1 3 292.346 2.454 20 30 CEEDHM N#Cc1ccccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255847612 625591467 /nfs/dbraw/zinc/59/14/67/625591467.db2.gz TYXJSUIUABWNSP-UVTDQMKNSA-N -1 3 289.294 2.281 20 30 CEEDHM C[C@H]([N-]C(=O)CC(F)(F)C(F)F)C(F)(F)F ZINC000890953610 623085449 /nfs/dbraw/zinc/08/54/49/623085449.db2.gz CAODQBFQRFAOKO-VKHMYHEASA-N -1 3 255.133 2.344 20 30 CEEDHM CCN(CCC#N)Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC000891578103 623799413 /nfs/dbraw/zinc/79/94/13/623799413.db2.gz INCPHILLWMTMPL-UHFFFAOYSA-N -1 3 279.296 2.045 20 30 CEEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCCS2)c1[O-] ZINC000783681744 627692091 /nfs/dbraw/zinc/69/20/91/627692091.db2.gz LRVKYKPVPZLVGX-IYVNWDGISA-N -1 3 280.393 2.293 20 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3 290.363 2.268 20 30 CEEDHM C=CCC1(C(=O)NCCCc2c[n-][nH]c2=O)CCCCC1 ZINC000898738507 632589175 /nfs/dbraw/zinc/58/91/75/632589175.db2.gz BKLUYHJHWUOZGL-ZDUSSCGKSA-N -1 3 291.395 2.141 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cnc2n1CCOC2 ZINC000899233114 632747978 /nfs/dbraw/zinc/74/79/78/632747978.db2.gz BLMIROHNLJSVNH-OMCISZLKSA-N -1 3 291.738 2.391 20 30 CEEDHM O=c1[n-]c(N=NC[C@@H]2CCCOC2)nc2ccccc21 ZINC000814868950 632910691 /nfs/dbraw/zinc/91/06/91/632910691.db2.gz OEJVUWQCJAYVCP-JTQLQIEISA-N -1 3 272.308 2.160 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OC)c1cccs1 ZINC000815150748 632972778 /nfs/dbraw/zinc/97/27/78/632972778.db2.gz NBUCSVOYOZYXFH-VIFPVBQESA-N -1 3 289.303 2.290 20 30 CEEDHM N#CCCOCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000815215875 632981187 /nfs/dbraw/zinc/98/11/87/632981187.db2.gz RSDFAOUYNLPHAP-UHFFFAOYSA-N -1 3 287.674 2.272 20 30 CEEDHM C=C[C@@](C)(CCOC)COC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000816036865 633106819 /nfs/dbraw/zinc/10/68/19/633106819.db2.gz XGVMVJNBWRVRFU-HNNXBMFYSA-N -1 3 295.335 2.187 20 30 CEEDHM CC(C)(NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900033934 633360278 /nfs/dbraw/zinc/36/02/78/633360278.db2.gz QAKUWJBBTIUHTD-UHFFFAOYSA-N -1 3 297.152 2.274 20 30 CEEDHM CCCCCC[C@@H](CC)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816690725 633464083 /nfs/dbraw/zinc/46/40/83/633464083.db2.gz AVFLETYAGLPJHT-VXGBXAGGSA-N -1 3 270.373 2.089 20 30 CEEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccccc2)cc1 ZINC000816692458 633464278 /nfs/dbraw/zinc/46/42/78/633464278.db2.gz OTEDCYVAGIAQJW-OAHLLOKOSA-N -1 3 296.326 2.074 20 30 CEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccccc2s1 ZINC000816757355 633472896 /nfs/dbraw/zinc/47/28/96/633472896.db2.gz QSOAVPVUYCFSRK-JTQLQIEISA-N -1 3 290.344 2.011 20 30 CEEDHM CCCCCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000900452320 633728600 /nfs/dbraw/zinc/72/86/00/633728600.db2.gz CBYZYXRZTIQWKT-CHWSQXEVSA-N -1 3 284.400 2.140 20 30 CEEDHM CCCCCCCC[C@@H](N)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000900457812 633731379 /nfs/dbraw/zinc/73/13/79/633731379.db2.gz NIPYNIWYOQDPEX-CZUORRHYSA-N -1 3 298.427 2.388 20 30 CEEDHM C=CCCC[C@@H](N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000900462180 633731660 /nfs/dbraw/zinc/73/16/60/633731660.db2.gz DOIFZIOZSRWZOX-GFCCVEGCSA-N -1 3 262.309 2.007 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@](C)(NC(C)=O)C(C)C ZINC000900678100 633805175 /nfs/dbraw/zinc/80/51/75/633805175.db2.gz HCCZUKIXJJDTRK-CQSZACIVSA-N -1 3 272.389 2.335 20 30 CEEDHM CCCCN([O-])C(=O)CCCn1nc(C)cc1C ZINC000900682744 633806011 /nfs/dbraw/zinc/80/60/11/633806011.db2.gz QIIGHNHLPIVSFB-UHFFFAOYSA-N -1 3 253.346 2.298 20 30 CEEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900703174 633812779 /nfs/dbraw/zinc/81/27/79/633812779.db2.gz KEXCPNYTPCEYII-UHFFFAOYSA-N -1 3 262.259 2.178 20 30 CEEDHM [O-]c1cc(Cl)cc(C=NN[C@@H]2CCSC2)c1 ZINC000901240068 634002945 /nfs/dbraw/zinc/00/29/45/634002945.db2.gz ZUJQYKKJEHTYLW-SNVBAGLBSA-N -1 3 256.758 2.475 20 30 CEEDHM CS(=O)(=O)CCCC/N=C/c1cc(Cl)ccc1[O-] ZINC000818991662 634031499 /nfs/dbraw/zinc/03/14/99/634031499.db2.gz HKESQLGXNGVEQT-NTEUORMPSA-N -1 3 289.784 2.289 20 30 CEEDHM CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820127548 634337967 /nfs/dbraw/zinc/33/79/67/634337967.db2.gz NTHHTYZWLCCENY-QWHCGFSZSA-N -1 3 284.400 2.479 20 30 CEEDHM Cc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822233240 634873326 /nfs/dbraw/zinc/87/33/26/634873326.db2.gz KYZSNXBWLOXULI-UHFFFAOYSA-N -1 3 298.375 2.360 20 30 CEEDHM Cc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822233240 634873329 /nfs/dbraw/zinc/87/33/29/634873329.db2.gz KYZSNXBWLOXULI-UHFFFAOYSA-N -1 3 298.375 2.360 20 30 CEEDHM N#Cc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000903401485 635110597 /nfs/dbraw/zinc/11/05/97/635110597.db2.gz PEUHFIXBQRUTJV-GFCCVEGCSA-N -1 3 264.712 2.261 20 30 CEEDHM C=CCCO[N-]C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC000824653094 635471315 /nfs/dbraw/zinc/47/13/15/635471315.db2.gz TWIKDVVYOKLGRH-UHFFFAOYSA-N -1 3 294.317 2.275 20 30 CEEDHM O=C([C@@H]1CCCC12OCCO2)N([O-])Cc1ccc(F)cc1 ZINC000904173839 635493017 /nfs/dbraw/zinc/49/30/17/635493017.db2.gz QURNDWKECSDOAZ-ZDUSSCGKSA-N -1 3 295.310 2.087 20 30 CEEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1C(C)C ZINC000904177361 635495046 /nfs/dbraw/zinc/49/50/46/635495046.db2.gz BVYGJJZWOQFKAI-UHFFFAOYSA-N -1 3 292.314 2.338 20 30 CEEDHM CC[C@](C)(C#N)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177485 635495283 /nfs/dbraw/zinc/49/52/83/635495283.db2.gz FEYZGEFPGOAOKZ-CYBMUJFWSA-N -1 3 250.273 2.483 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H](OC)C(=O)OC(C)(C)C ZINC000904206576 635497283 /nfs/dbraw/zinc/49/72/83/635497283.db2.gz CGODEJHYZVFYLD-LLVKDONJSA-N -1 3 289.372 2.141 20 30 CEEDHM CCCCCCN([O-])C(=O)CCc1cc(OC)no1 ZINC000904206873 635497410 /nfs/dbraw/zinc/49/74/10/635497410.db2.gz LUQZEZUIEXITLX-UHFFFAOYSA-N -1 3 270.329 2.414 20 30 CEEDHM CCCCCCN([O-])C(=O)c1cn(C2CC2)nn1 ZINC000904207292 635498595 /nfs/dbraw/zinc/49/85/95/635498595.db2.gz YBZFZZHJWSQQCQ-UHFFFAOYSA-N -1 3 252.318 2.025 20 30 CEEDHM CCCCN([O-])C(=O)CN1C(=O)CSc2ccccc21 ZINC000904207990 635498818 /nfs/dbraw/zinc/49/88/18/635498818.db2.gz KYOUHLNDTIEKDY-UHFFFAOYSA-N -1 3 294.376 2.143 20 30 CEEDHM CCCCN([O-])C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000904209100 635500948 /nfs/dbraw/zinc/50/09/48/635500948.db2.gz UFAIVZXGIIBEAO-UHFFFAOYSA-N -1 3 292.383 2.364 20 30 CEEDHM COC(=O)[C@@H]1CC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192456 635505201 /nfs/dbraw/zinc/50/52/01/635505201.db2.gz MMOOWUYUTNRNOV-WDEREUQCSA-N -1 3 297.738 2.257 20 30 CEEDHM CCCCCCN([O-])C(=O)Cc1ncccc1OC ZINC000904204089 635512347 /nfs/dbraw/zinc/51/23/47/635512347.db2.gz DVNIGHDQWVCWRO-UHFFFAOYSA-N -1 3 266.341 2.431 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCC12OCCO2 ZINC000904204534 635512474 /nfs/dbraw/zinc/51/24/74/635512474.db2.gz NYZBHUYDJOPINA-LBPRGKRZSA-N -1 3 271.357 2.328 20 30 CEEDHM CCCCCCN([O-])C(=O)CN(C)[C@H]1CCSC1 ZINC000904204340 635512689 /nfs/dbraw/zinc/51/26/89/635512689.db2.gz KGIVTIFJLWVFEU-LBPRGKRZSA-N -1 3 274.430 2.222 20 30 CEEDHM CCCCCCN([O-])C(=O)CNC(=O)Cc1ccccc1 ZINC000904205888 635513347 /nfs/dbraw/zinc/51/33/47/635513347.db2.gz WUDMLYUNRHZOGU-UHFFFAOYSA-N -1 3 292.379 2.143 20 30 CEEDHM CCCCN([O-])C(=O)c1cc(C(F)(F)F)ncn1 ZINC000904215528 635514871 /nfs/dbraw/zinc/51/48/71/635514871.db2.gz CFXGOIFJJIPXQD-UHFFFAOYSA-N -1 3 263.219 2.127 20 30 CEEDHM CCCCN([O-])C(=O)Cc1cn2c(C)csc2n1 ZINC000904215871 635514932 /nfs/dbraw/zinc/51/49/32/635514932.db2.gz OEVIPTKZQHSGAV-UHFFFAOYSA-N -1 3 267.354 2.265 20 30 CEEDHM CCCCN([O-])C(=O)c1c(C(F)(F)F)cnn1C ZINC000904214568 635522816 /nfs/dbraw/zinc/52/28/16/635522816.db2.gz DJXNDVDDSFEZIT-UHFFFAOYSA-N -1 3 265.235 2.070 20 30 CEEDHM CCCCN([O-])C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000904214715 635523054 /nfs/dbraw/zinc/52/30/54/635523054.db2.gz KKWYCBKUHAVLPV-XYPYZODXSA-N -1 3 286.372 2.308 20 30 CEEDHM N#CC1(CC(=O)[N-]O[C@@H]2CCCCO2)CCCCC1 ZINC000825026792 635542037 /nfs/dbraw/zinc/54/20/37/635542037.db2.gz NEIMPGPATFQRBM-CYBMUJFWSA-N -1 3 266.341 2.425 20 30 CEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccncc1 ZINC000826399906 635773776 /nfs/dbraw/zinc/77/37/76/635773776.db2.gz JPRNOHRSAWQIJL-IWQZZHSRSA-N -1 3 283.316 2.219 20 30 CEEDHM C[C@H]1C[C@H](CNC(=O)[O-])CN1Cc1cc(C#N)cs1 ZINC000833833853 637748090 /nfs/dbraw/zinc/74/80/90/637748090.db2.gz LBKLSDLTEPLWER-GXSJLCMTSA-N -1 3 279.365 2.098 20 30 CEEDHM COc1c([O-])ccc(C=NOCCOC(C)C)c1[N+](=O)[O-] ZINC000834978159 638007744 /nfs/dbraw/zinc/00/77/44/638007744.db2.gz CFDNCGCXVAOVPS-UHFFFAOYSA-N -1 3 298.295 2.085 20 30 CEEDHM C=CCONC(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000836370364 638613286 /nfs/dbraw/zinc/61/32/86/638613286.db2.gz DIYPMFNCEKQKNI-UHFFFAOYSA-N -1 3 256.331 2.075 20 30 CEEDHM C=CCCO[N-]C(=O)CC1CC(NC(=O)OC(C)(C)C)C1 ZINC000912627670 638747904 /nfs/dbraw/zinc/74/79/04/638747904.db2.gz IUZDQVXFRPSJGK-UHFFFAOYSA-N -1 3 298.383 2.304 20 30 CEEDHM C=CCO[N-]C(=O)Cc1cc(Cl)ccc1OC ZINC000837044349 639028127 /nfs/dbraw/zinc/02/81/27/639028127.db2.gz ZHQMCZWSJYJDRR-UHFFFAOYSA-N -1 3 255.701 2.125 20 30 CEEDHM COCCCNN=Cc1c([O-])cc(C)cc1Cl ZINC000841635458 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299.367 2.004 20 30 CEEDHM C=CCCC1(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC1 ZINC000564806543 377459116 /nfs/dbraw/zinc/45/91/16/377459116.db2.gz MVDZFWFCFBGNHY-GFCCVEGCSA-N -1 3 275.352 2.368 20 30 CEEDHM Cc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)c([O-])c1 ZINC000436606569 377826688 /nfs/dbraw/zinc/82/66/88/377826688.db2.gz QWVKSQANMCEKPN-LLVKDONJSA-N -1 3 258.321 2.465 20 30 CEEDHM CC(=O)c1ccc(C(=O)N(CCC#N)CC2CC2)cc1[O-] ZINC000436658161 377826925 /nfs/dbraw/zinc/82/69/25/377826925.db2.gz YARZJDKUZWVKSG-UHFFFAOYSA-N -1 3 286.331 2.361 20 30 CEEDHM Cc1ccc(C(=O)NCC2(CC#N)CC2)c([O-])c1C ZINC000437000782 377834510 /nfs/dbraw/zinc/83/45/10/377834510.db2.gz OBEHXCQYFATCPX-UHFFFAOYSA-N -1 3 258.321 2.433 20 30 CEEDHM C=CCCCCN=c1nc(C(C)C)nc(N(C)C)[n-]1 ZINC000472648891 380074256 /nfs/dbraw/zinc/07/42/56/380074256.db2.gz ILFHTGNZUQZPQK-UHFFFAOYSA-N -1 3 263.389 2.251 20 30 CEEDHM C=C[C@H]1CCCCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000554412117 380769641 /nfs/dbraw/zinc/76/96/41/380769641.db2.gz 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[O-]c1ccc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753935260 574520133 /nfs/dbraw/zinc/52/01/33/574520133.db2.gz MUDUTRMGIDCCCW-TXEJJXNPSA-N -1 3 292.770 2.240 20 30 CEEDHM N#CC1(NC(=O)c2cc([O-])cs2)CCCCC1 ZINC000732266693 574616450 /nfs/dbraw/zinc/61/64/50/574616450.db2.gz IIVKQMZDZKLWEA-UHFFFAOYSA-N -1 3 250.323 2.410 20 30 CEEDHM CCOc1ccc(/C=N/[C@H]2CCN(C(C)C)C2=O)c([O-])c1 ZINC000734095631 574700491 /nfs/dbraw/zinc/70/04/91/574700491.db2.gz DRGUVYBYOSCWFB-FBJMNJBLSA-N -1 3 290.363 2.219 20 30 CEEDHM CCC(CC)NN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000734365239 574709768 /nfs/dbraw/zinc/70/97/68/574709768.db2.gz VPBUXVJXGCXHNQ-UHFFFAOYSA-N -1 3 281.312 2.421 20 30 CEEDHM C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735409193 574756946 /nfs/dbraw/zinc/75/69/46/574756946.db2.gz CHFFVOUQTFWTPT-MRVPVSSYSA-N -1 3 274.284 2.151 20 30 CEEDHM C=CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735409193 574756948 /nfs/dbraw/zinc/75/69/48/574756948.db2.gz CHFFVOUQTFWTPT-MRVPVSSYSA-N -1 3 274.284 2.151 20 30 CEEDHM Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000737362142 574830500 /nfs/dbraw/zinc/83/05/00/574830500.db2.gz OERYYBUNJBFXKS-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737362142 574830501 /nfs/dbraw/zinc/83/05/01/574830501.db2.gz OERYYBUNJBFXKS-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM Cc1nc(C)c(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737473476 574835700 /nfs/dbraw/zinc/83/57/00/574835700.db2.gz IAEBIYUARPUUQT-UHFFFAOYSA-N -1 3 299.363 2.386 20 30 CEEDHM Cc1nc(C)c(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737473476 574835701 /nfs/dbraw/zinc/83/57/01/574835701.db2.gz IAEBIYUARPUUQT-UHFFFAOYSA-N -1 3 299.363 2.386 20 30 CEEDHM O=C(C=Cc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737807683 574844901 /nfs/dbraw/zinc/84/49/01/574844901.db2.gz LSUBOOPATJOPDH-WAYWQWQTSA-N -1 3 283.316 2.219 20 30 CEEDHM O=C(C=Cc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737807683 574844903 /nfs/dbraw/zinc/84/49/03/574844903.db2.gz LSUBOOPATJOPDH-WAYWQWQTSA-N -1 3 283.316 2.219 20 30 CEEDHM O=C(C=Cc1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000737806439 574845218 /nfs/dbraw/zinc/84/52/18/574845218.db2.gz HFPAPVLZQXKMQZ-SNAWJCMRSA-N -1 3 283.316 2.219 20 30 CEEDHM O=C(C=Cc1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000737806439 574845220 /nfs/dbraw/zinc/84/52/20/574845220.db2.gz HFPAPVLZQXKMQZ-SNAWJCMRSA-N -1 3 283.316 2.219 20 30 CEEDHM C=CCOc1cccc(CN[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738505311 574866632 /nfs/dbraw/zinc/86/66/32/574866632.db2.gz JNYYGOVOGKUXFY-CQSZACIVSA-N -1 3 290.363 2.483 20 30 CEEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000739117999 574896163 /nfs/dbraw/zinc/89/61/63/574896163.db2.gz KAATVHLMTNAQQT-MRXNPFEDSA-N -1 3 291.310 2.345 20 30 CEEDHM C#CCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000742333680 575015115 /nfs/dbraw/zinc/01/51/15/575015115.db2.gz KWQNIFKLLZMNTH-UHFFFAOYSA-N -1 3 275.732 2.171 20 30 CEEDHM COc1cccc([O-])c1/C=N\C[C@@H](C)C(=O)OC(C)C ZINC000743044169 575041900 /nfs/dbraw/zinc/04/19/00/575041900.db2.gz GBELYYCNKYCGGW-WIWNTQSISA-N -1 3 279.336 2.407 20 30 CEEDHM CC(=NNS(=O)(=O)C(C)C)c1cc(Cl)ccc1[O-] ZINC000749745288 575231813 /nfs/dbraw/zinc/23/18/13/575231813.db2.gz NXGQDNKFCIRUMQ-UHFFFAOYSA-N -1 3 290.772 2.097 20 30 CEEDHM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000752155298 575306062 /nfs/dbraw/zinc/30/60/62/575306062.db2.gz OPCLONOPHHCMTA-SNVBAGLBSA-N -1 3 292.298 2.457 20 30 CEEDHM O=C1c2ccccc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823503949 599117238 /nfs/dbraw/zinc/11/72/38/599117238.db2.gz KVUUSDPZGGSOHQ-NTEUORMPSA-N -1 3 290.282 2.483 20 30 CEEDHM O=C1c2ccccc2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823503949 599117241 /nfs/dbraw/zinc/11/72/41/599117241.db2.gz KVUUSDPZGGSOHQ-NTEUORMPSA-N -1 3 290.282 2.483 20 30 CEEDHM C=CC[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819730205 607291118 /nfs/dbraw/zinc/29/11/18/607291118.db2.gz SKOLDKASPTXJHQ-SECBINFHSA-N -1 3 286.339 2.261 20 30 CEEDHM C=CC[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819730205 607291119 /nfs/dbraw/zinc/29/11/19/607291119.db2.gz SKOLDKASPTXJHQ-SECBINFHSA-N -1 3 286.339 2.261 20 30 CEEDHM COc1cc(C#N)ccc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000820754691 598088065 /nfs/dbraw/zinc/08/80/65/598088065.db2.gz JBXRNKRUSRHDBK-ZDUSSCGKSA-N -1 3 288.347 2.254 20 30 CEEDHM N#Cc1ccc(CNCC2(NC(=O)[O-])CCCCC2)o1 ZINC000831126348 603162389 /nfs/dbraw/zinc/16/23/89/603162389.db2.gz BBGWELZLNRLNLD-UHFFFAOYSA-N -1 3 277.324 2.211 20 30 CEEDHM CCN(CC1CCN(CCCC#N)CC1)C(=O)[O-] ZINC000827092445 603510087 /nfs/dbraw/zinc/51/00/87/603510087.db2.gz DSAPLFMDPAKHFA-UHFFFAOYSA-N -1 3 253.346 2.002 20 30 CEEDHM C/C(=C/CNC1(c2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000833382104 605139282 /nfs/dbraw/zinc/13/92/82/605139282.db2.gz GJCLOZKHQOAQRX-WZUFQYTHSA-N -1 3 256.305 2.168 20 30 CEEDHM C[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CN1C1CC1 ZINC000753954475 605591771 /nfs/dbraw/zinc/59/17/71/605591771.db2.gz CIYWPIYFUGHFEU-SNVBAGLBSA-N -1 3 273.336 2.409 20 30 CEEDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000833816177 605604350 /nfs/dbraw/zinc/60/43/50/605604350.db2.gz YGWPCJNSLHGPHF-JQWIXIFHSA-N -1 3 293.392 2.488 20 30 CEEDHM N#C[C@H]1CCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC000822805839 606242578 /nfs/dbraw/zinc/24/25/78/606242578.db2.gz FLVHHRKJPBIECZ-GMSGAONNSA-N -1 3 289.730 2.019 20 30 CEEDHM N#C[C@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000822806319 606242377 /nfs/dbraw/zinc/24/23/77/606242377.db2.gz LUBFLBKZUXIZTG-SCZZXKLOSA-N -1 3 272.287 2.110 20 30 CEEDHM N#C[C@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000822806319 606242379 /nfs/dbraw/zinc/24/23/79/606242379.db2.gz LUBFLBKZUXIZTG-SCZZXKLOSA-N -1 3 272.287 2.110 20 30 CEEDHM N#C[C@H]1CCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822805839 606242576 /nfs/dbraw/zinc/24/25/76/606242576.db2.gz FLVHHRKJPBIECZ-GMSGAONNSA-N -1 3 289.730 2.019 20 30 CEEDHM C=C(C)CCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819722694 606748701 /nfs/dbraw/zinc/74/87/01/606748701.db2.gz OTSKFKVPRYKMSK-UHFFFAOYSA-N -1 3 294.261 2.268 20 30 CEEDHM C=C(C)CCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819722694 606748702 /nfs/dbraw/zinc/74/87/02/606748702.db2.gz OTSKFKVPRYKMSK-UHFFFAOYSA-N -1 3 294.261 2.268 20 30 CEEDHM C(=NNc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823867563 607881610 /nfs/dbraw/zinc/88/16/10/607881610.db2.gz CIKLPECPCXUHAF-UHFFFAOYSA-N -1 3 264.292 2.313 20 30 CEEDHM C(=NNc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823867563 607881611 /nfs/dbraw/zinc/88/16/11/607881611.db2.gz CIKLPECPCXUHAF-UHFFFAOYSA-N -1 3 264.292 2.313 20 30 CEEDHM C=C(CC)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823878287 608317910 /nfs/dbraw/zinc/31/79/10/608317910.db2.gz UVNZCIPHNTXDNP-HJWRWDBZSA-N -1 3 284.319 2.389 20 30 CEEDHM C=C(CC)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823878287 608317912 /nfs/dbraw/zinc/31/79/12/608317912.db2.gz UVNZCIPHNTXDNP-HJWRWDBZSA-N -1 3 284.319 2.389 20 30 CEEDHM C[C@H](C#N)CN(C)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000824033809 608367317 /nfs/dbraw/zinc/36/73/17/608367317.db2.gz BJTAXXYTBNWOMI-MRVPVSSYSA-N -1 3 276.731 2.116 20 30 CEEDHM C[C@H](C#N)CN(C)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000824033809 608367319 /nfs/dbraw/zinc/36/73/19/608367319.db2.gz BJTAXXYTBNWOMI-MRVPVSSYSA-N -1 3 276.731 2.116 20 30 CEEDHM N#Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387469 608670446 /nfs/dbraw/zinc/67/04/46/608670446.db2.gz WRQIMDVEIJIJHA-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387469 608670448 /nfs/dbraw/zinc/67/04/48/608670448.db2.gz WRQIMDVEIJIJHA-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM N#CC1(COC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000826380357 609157247 /nfs/dbraw/zinc/15/72/47/609157247.db2.gz XFNULFWGFWOVBG-UHFFFAOYSA-N -1 3 297.318 2.107 20 30 CEEDHM N#CC1(COC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000826380357 609157249 /nfs/dbraw/zinc/15/72/49/609157249.db2.gz XFNULFWGFWOVBG-UHFFFAOYSA-N -1 3 297.318 2.107 20 30 CEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1=CCC1 ZINC000823909994 609540258 /nfs/dbraw/zinc/54/02/58/609540258.db2.gz VLKXANKDUNTXSG-UHFFFAOYSA-N -1 3 295.346 2.102 20 30 CEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1=CCC1 ZINC000823909994 609540262 /nfs/dbraw/zinc/54/02/62/609540262.db2.gz VLKXANKDUNTXSG-UHFFFAOYSA-N -1 3 295.346 2.102 20 30 CEEDHM CC1(C#N)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824777601 609561963 /nfs/dbraw/zinc/56/19/63/609561963.db2.gz KODYALSIAULNPK-UHFFFAOYSA-N -1 3 286.314 2.136 20 30 CEEDHM CC1(C#N)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824777601 609561965 /nfs/dbraw/zinc/56/19/65/609561965.db2.gz KODYALSIAULNPK-UHFFFAOYSA-N -1 3 286.314 2.136 20 30 CEEDHM COc1cc(C(=O)/C=C\c2ccnn2C)c(OC)cc1[O-] ZINC000255677604 625379953 /nfs/dbraw/zinc/37/99/53/625379953.db2.gz ZVHIAWLMBVFLKE-PLNGDYQASA-N -1 3 288.303 2.039 20 30 CEEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCOC1 ZINC000254987646 622715720 /nfs/dbraw/zinc/71/57/20/622715720.db2.gz KWASEAPEZMHGQX-YRVKEHPISA-N -1 3 270.126 2.363 20 30 CEEDHM C#C[C@H](C)NCc1cccc([O-])c1Br ZINC000306330816 623491068 /nfs/dbraw/zinc/49/10/68/623491068.db2.gz OSMOLYKVVAVZKO-QMMMGPOBSA-N -1 3 254.127 2.266 20 30 CEEDHM C=CCC[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)C1CC1 ZINC000159611333 625071028 /nfs/dbraw/zinc/07/10/28/625071028.db2.gz SQTSTQZZDWRAMZ-CQSZACIVSA-N -1 3 290.363 2.217 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C1CC1 ZINC000066546554 625936161 /nfs/dbraw/zinc/93/61/61/625936161.db2.gz PXQWVPKUQGTKSO-LLVKDONJSA-N -1 3 288.347 2.138 20 30 CEEDHM C=CCCO[N-]C(=O)Cc1ccccc1OC(F)F ZINC000856032875 628373178 /nfs/dbraw/zinc/37/31/78/628373178.db2.gz VPQYBJUNHLEENA-UHFFFAOYSA-N -1 3 271.263 2.454 20 30 CEEDHM Cc1ccccc1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000254843051 629178856 /nfs/dbraw/zinc/17/88/56/629178856.db2.gz VKZLPWGVEXGHAD-UHFFFAOYSA-N -1 3 252.281 2.107 20 30 CEEDHM CCn1ncnc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000794850369 629335139 /nfs/dbraw/zinc/33/51/39/629335139.db2.gz ZXEQOGDPDWERMQ-MKMNVTDBSA-N -1 3 264.716 2.276 20 30 CEEDHM COc1cc(C=NNc2cncnc2)cc(Cl)c1[O-] ZINC000794979622 629388879 /nfs/dbraw/zinc/38/88/79/629388879.db2.gz 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QZNOPXHNLNWQCB-UHFFFAOYSA-N -1 3 277.320 2.282 20 30 CEEDHM C=CCCO[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC000856032392 644548582 /nfs/dbraw/zinc/54/85/82/644548582.db2.gz NLJIRUOPHYRJFZ-AWEZNQCLSA-N -1 3 261.321 2.314 20 30 CEEDHM C#CC[C@@H](COC)[N-]c1nc(-c2ccc(F)cc2)no1 ZINC000858861340 645274246 /nfs/dbraw/zinc/27/42/46/645274246.db2.gz AFZSHEZOUZDADA-LBPRGKRZSA-N -1 3 275.283 2.326 20 30 CEEDHM C#CC[C@@H](COC)[N-]c1nc(-c2cccc(OC)c2)no1 ZINC000858860337 645274302 /nfs/dbraw/zinc/27/43/02/645274302.db2.gz LUVJLOQDEKDODE-LBPRGKRZSA-N -1 3 287.319 2.195 20 30 CEEDHM Cc1[n-]ncc1S(=O)(=O)Oc1cc(Cl)ccc1C#N ZINC000761931771 645338623 /nfs/dbraw/zinc/33/86/23/645338623.db2.gz FWJXMWGIGGUCKR-UHFFFAOYSA-N -1 3 297.723 2.011 20 30 CEEDHM CCOc1cc(C(=O)N=C2C[C@@H](C)ON2)cc(Cl)c1[O-] ZINC000762624717 645431825 /nfs/dbraw/zinc/43/18/25/645431825.db2.gz FGXCDXPZEZLQCQ-SSDOTTSWSA-N -1 3 298.726 2.296 20 30 CEEDHM COc1nccnc1N=NC(C)c1ccc([O-])c(F)c1 ZINC000763425087 645545484 /nfs/dbraw/zinc/54/54/84/645545484.db2.gz IFAJEOHZVVUMIW-UHFFFAOYSA-N -1 3 276.271 2.166 20 30 CEEDHM COCCON=Cc1c([O-])cccc1Br ZINC000863099880 646634433 /nfs/dbraw/zinc/63/44/33/646634433.db2.gz LGDCDEUFOBZJNL-UHFFFAOYSA-N -1 3 274.114 2.152 20 30 CEEDHM CC(C)CC(=NN=c1cc[n-]n1C)c1ccccn1 ZINC000774409009 646842159 /nfs/dbraw/zinc/84/21/59/646842159.db2.gz FFMGOFZTFBPQAE-UHFFFAOYSA-N -1 3 257.341 2.099 20 30 CEEDHM C#C[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])[C@H]1CCCO1 ZINC000775328576 646940814 /nfs/dbraw/zinc/94/08/14/646940814.db2.gz IVNOBRSZWRUVCV-GOEBONIOSA-N -1 3 287.359 2.426 20 30 CEEDHM CCOc1cc(C=NN[C@@H](C)COC)cc(Cl)c1[O-] ZINC000777895416 647187735 /nfs/dbraw/zinc/18/77/35/647187735.db2.gz XHLNJBOYWVXLFB-VIFPVBQESA-N -1 3 286.759 2.403 20 30 CEEDHM Cc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CC2)cc1 ZINC000779990062 647379685 /nfs/dbraw/zinc/37/96/85/647379685.db2.gz CADLWDZETKWWTG-UHFFFAOYSA-N -1 3 250.248 2.259 20 30 CEEDHM CC(C)(C)C1CCC(C=NN2CC(=O)[N-]C2=O)CC1 ZINC000783815892 647767560 /nfs/dbraw/zinc/76/75/60/647767560.db2.gz KZMGWUROPQLWFT-UHFFFAOYSA-N -1 3 265.357 2.377 20 30 CEEDHM N#CCC[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000787622705 648123550 /nfs/dbraw/zinc/12/35/50/648123550.db2.gz SVGGEGZSUNBOAY-UHFFFAOYSA-N -1 3 260.190 2.086 20 30 CEEDHM CC1(C)C[C@]1(C#N)[N-]C(=O)C(F)(F)C1(O)CCCCC1 ZINC000794161194 648834435 /nfs/dbraw/zinc/83/44/35/648834435.db2.gz METWTWGXBQCHNK-GFCCVEGCSA-N -1 3 286.322 2.125 20 30 CEEDHM Cc1ncc(CO)c(/C=N/Cc2ncc(Cl)s2)c1[O-] ZINC000871596660 649115104 /nfs/dbraw/zinc/11/51/04/649115104.db2.gz ACHIQRCPRCMTCV-LZWSPWQCSA-N -1 3 297.767 2.317 20 30 CEEDHM C[C@H]1C(N=Nc2ccc(C(=O)[O-])c(F)c2)CCN1C ZINC000872379810 649374267 /nfs/dbraw/zinc/37/42/67/649374267.db2.gz MMAQPQFOCDTNFI-QMMMGPOBSA-N -1 3 265.288 2.016 20 30 CEEDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(C#N)c1 ZINC000872488664 649403896 /nfs/dbraw/zinc/40/38/96/649403896.db2.gz ZCDJCCLHCPPDEJ-QMMMGPOBSA-N -1 3 292.282 2.096 20 30 CEEDHM C#CC1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1 ZINC000878763682 651181380 /nfs/dbraw/zinc/18/13/80/651181380.db2.gz LGEOLFAWJKUXJU-UHFFFAOYSA-N -1 3 283.331 2.287 20 30 CEEDHM C#C[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC000878844084 651196883 /nfs/dbraw/zinc/19/68/83/651196883.db2.gz QLRKZJOWLOFFFZ-LBPRGKRZSA-N -1 3 283.331 2.287 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cccc3nn[n-]c32)c1F ZINC000800206928 652687113 /nfs/dbraw/zinc/68/71/13/652687113.db2.gz NOFPXOPCKMHNTJ-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cccc3[n-]nnc32)c1F ZINC000800206928 652687116 /nfs/dbraw/zinc/68/71/16/652687116.db2.gz NOFPXOPCKMHNTJ-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1cccc(COC(=O)c2cccc3n[n-]nc32)c1F ZINC000800206928 652687120 /nfs/dbraw/zinc/68/71/20/652687120.db2.gz NOFPXOPCKMHNTJ-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC000885212860 652992924 /nfs/dbraw/zinc/99/29/24/652992924.db2.gz VQADNIIKZBPKHW-GFCCVEGCSA-N -1 3 286.784 2.124 20 30 CEEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000088475843 802336371 /nfs/dbraw/zinc/33/63/71/802336371.db2.gz NWFXCWXTBCKVDT-ZCFIWIBFSA-N -1 3 262.693 2.133 20 30 CEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccsc1 ZINC000125097357 803983981 /nfs/dbraw/zinc/98/39/81/803983981.db2.gz WXTXNFCLKWPIDW-JTQLQIEISA-N -1 3 271.301 2.104 20 30 CEEDHM CN(C)C=Nc1ccc(NCc2cc(=O)[n-]o2)cc1C#N ZINC001169492661 811551485 /nfs/dbraw/zinc/55/14/85/811551485.db2.gz NVQPAMZYJMTBIP-RQZCQDPDSA-N -1 3 285.307 2.085 20 30 CEEDHM O=C(CCS)Nc1cc(Br)ccc1[O-] ZINC001143986508 813914839 /nfs/dbraw/zinc/91/48/39/813914839.db2.gz PDVPYCHDGMXFPZ-UHFFFAOYSA-N -1 3 276.155 2.413 20 30 CEEDHM CC(C)(Br)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001144554343 814107569 /nfs/dbraw/zinc/10/75/69/814107569.db2.gz NWXIMNFUFXYCAC-UHFFFAOYSA-N -1 3 283.125 2.376 20 30 CEEDHM C[C@@H]1CCCC[C@@H]1NC(=S)NN=Cc1ccc([O-])cn1 ZINC000755519742 814163773 /nfs/dbraw/zinc/16/37/73/814163773.db2.gz OQLYQTIUODDKQF-MFKMUULPSA-N -1 3 292.408 2.164 20 30 CEEDHM C[C@H](C#N)c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC001148621903 814596495 /nfs/dbraw/zinc/59/64/95/814596495.db2.gz HJGIIVVHHWUTLJ-LLVKDONJSA-N -1 3 281.315 2.344 20 30 CEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nc2c1CCCC2 ZINC001171363634 814663970 /nfs/dbraw/zinc/66/39/70/814663970.db2.gz JHCNDXVFKHFFPZ-SDBXPKJASA-N -1 3 295.770 2.262 20 30 CEEDHM Cc1c(F)c(F)cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1F ZINC001171365550 814667544 /nfs/dbraw/zinc/66/75/44/814667544.db2.gz CGGDAFMGIYRANZ-DYEAUMGKSA-N -1 3 274.242 2.060 20 30 CEEDHM C=CCN(C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129199 815965556 /nfs/dbraw/zinc/96/55/56/815965556.db2.gz QDEFIENBJQBVJO-UHFFFAOYSA-N -1 3 259.305 2.425 20 30 CEEDHM CSc1nn(-c2c(F)cc([O-])cc2F)c(N)c1C#N ZINC001175095143 816137669 /nfs/dbraw/zinc/13/76/69/816137669.db2.gz ACNYZXWGOFUBQM-UHFFFAOYSA-N -1 3 282.275 2.032 20 30 CEEDHM N#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175429225 816199659 /nfs/dbraw/zinc/19/96/59/816199659.db2.gz SGEFMOJTGFPMBD-UHFFFAOYSA-N -1 3 262.276 2.482 20 30 CEEDHM N#CC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508620 816677450 /nfs/dbraw/zinc/67/74/50/816677450.db2.gz FKIMICUPBIMRGU-UHFFFAOYSA-N -1 3 252.264 2.406 20 30 CEEDHM C=CCN(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000121230999 365538702 /nfs/dbraw/zinc/53/87/02/365538702.db2.gz SVWSUKPRDPMLFN-UHFFFAOYSA-N -1 3 259.305 2.425 20 30 CEEDHM O=C(N[O-])c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC000671995868 539196852 /nfs/dbraw/zinc/19/68/52/539196852.db2.gz OBLQQSNXTMZLDD-UHFFFAOYSA-N -1 3 271.198 2.010 20 30 CEEDHM Cc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)ccc1[O-] ZINC000601821686 346910009 /nfs/dbraw/zinc/91/00/09/346910009.db2.gz SRXTVDNSVAAWLH-STQMWFEESA-N -1 3 258.321 2.465 20 30 CEEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041494135 362038225 /nfs/dbraw/zinc/03/82/25/362038225.db2.gz RVHOMUHTDSXQDQ-CYBMUJFWSA-N -1 3 280.283 2.358 20 30 CEEDHM O=C(N[O-])c1cc2cccc(Br)c2o1 ZINC000042256039 362075411 /nfs/dbraw/zinc/07/54/11/362075411.db2.gz XNVPBXUDZLZRBG-UHFFFAOYSA-N -1 3 256.055 2.314 20 30 CEEDHM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000046439628 362181848 /nfs/dbraw/zinc/18/18/48/362181848.db2.gz UJYCMHHZQDQZFU-GFCCVEGCSA-N -1 3 267.244 2.480 20 30 CEEDHM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000046439649 362182028 /nfs/dbraw/zinc/18/20/28/362182028.db2.gz DVPLBTDOONGDHI-LBPRGKRZSA-N -1 3 267.244 2.480 20 30 CEEDHM C[C@@H]1CCc2[n-]n(Cc3cccc(C#N)c3)c(=O)c21 ZINC000601946427 346938381 /nfs/dbraw/zinc/93/83/81/346938381.db2.gz YNBBGNHPTUMMFS-QMTHXVAHSA-N -1 3 253.305 2.303 20 30 CEEDHM CCc1nc(C)c(C(=O)[N-]c2snc(C)c2C#N)o1 ZINC000410807400 529721251 /nfs/dbraw/zinc/72/12/51/529721251.db2.gz AIMBTWXJUSIVQJ-UHFFFAOYSA-N -1 3 276.321 2.434 20 30 CEEDHM Cc1cccc(CS(=O)(=O)[N-][C@H](C#N)CC(C)C)c1 ZINC000071631223 343801662 /nfs/dbraw/zinc/80/16/62/343801662.db2.gz RLAOXNFUIGOTTC-AWEZNQCLSA-N -1 3 280.393 2.353 20 30 CEEDHM C=CCNc1nnc(SCc2cc(=O)c([O-])co2)s1 ZINC000072635843 343808331 /nfs/dbraw/zinc/80/83/31/343808331.db2.gz GFYRCDWQIYBTTO-UHFFFAOYSA-N -1 3 297.361 2.087 20 30 CEEDHM COCCN(CCC#N)C(=O)c1cc([O-])ccc1Cl ZINC000234766513 344587180 /nfs/dbraw/zinc/58/71/80/344587180.db2.gz SJUXZTLCZHKKFV-UHFFFAOYSA-N -1 3 282.727 2.048 20 30 CEEDHM C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC000382088613 344825616 /nfs/dbraw/zinc/82/56/16/344825616.db2.gz BQNBYHCZFMDSEP-RISCZKNCSA-N -1 3 258.321 2.101 20 30 CEEDHM C[C@@]1(C#N)CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000590705901 345164899 /nfs/dbraw/zinc/16/48/99/345164899.db2.gz PKFJXZCYQOVNJG-HNNXBMFYSA-N -1 3 276.311 2.226 20 30 CEEDHM CCC(CC)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593541373 345505396 /nfs/dbraw/zinc/50/53/96/345505396.db2.gz APASOEWRNRDRDM-UHFFFAOYSA-N -1 3 272.395 2.334 20 30 CEEDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593543806 345506251 /nfs/dbraw/zinc/50/62/51/345506251.db2.gz NTVJBVSXQYNQCM-RKDXNWHRSA-N -1 3 270.379 2.087 20 30 CEEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCCC1 ZINC000593543355 345506263 /nfs/dbraw/zinc/50/62/63/345506263.db2.gz CTOYAAOSLQGFIO-SECBINFHSA-N -1 3 284.406 2.477 20 30 CEEDHM CC(C)n1cnc([N-]C(=O)c2ncc(C#N)cc2Cl)n1 ZINC000593232321 345456803 /nfs/dbraw/zinc/45/68/03/345456803.db2.gz NSWGFFPPGOSGSU-UHFFFAOYSA-N -1 3 290.714 2.031 20 30 CEEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593278439 345461442 /nfs/dbraw/zinc/46/14/42/345461442.db2.gz LWGXGIMGKPZCSO-LLVKDONJSA-N -1 3 290.747 2.306 20 30 CEEDHM CC(C)(CCCO)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596186114 345964054 /nfs/dbraw/zinc/96/40/54/345964054.db2.gz UHDRTHMNZSSBDJ-UHFFFAOYSA-N -1 3 273.789 2.301 20 30 CEEDHM C[C@H](O)CC(C)(C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596144503 345950848 /nfs/dbraw/zinc/95/08/48/345950848.db2.gz FXKDZKZZHZNEBY-ZETCQYMHSA-N -1 3 273.789 2.299 20 30 CEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCF)c1 ZINC000311067638 201881323 /nfs/dbraw/zinc/88/13/23/201881323.db2.gz CMOYRMSHLKZVSE-UHFFFAOYSA-N -1 3 290.747 2.240 20 30 CEEDHM COCCN(CCC#N)C(=O)c1cc(SC)ccc1[O-] ZINC000597135182 346133475 /nfs/dbraw/zinc/13/34/75/346133475.db2.gz IAMRYKCZKYZDEC-UHFFFAOYSA-N -1 3 294.376 2.116 20 30 CEEDHM C=CCCSCCNC(=O)c1cccc([O-])c1 ZINC000597973688 346261380 /nfs/dbraw/zinc/26/13/80/346261380.db2.gz JIRRVIYAIQUZQH-UHFFFAOYSA-N -1 3 251.351 2.431 20 30 CEEDHM Cc1cccc([O-])c1C(=O)N1CCC[C@H](CC#N)C1 ZINC000600094642 346596713 /nfs/dbraw/zinc/59/67/13/346596713.db2.gz WPJFPRZYUTXCCT-GFCCVEGCSA-N -1 3 258.321 2.467 20 30 CEEDHM N#Cc1cc(NCc2ccc([O-])c(F)c2)nc(C2CC2)n1 ZINC000601120934 346759462 /nfs/dbraw/zinc/75/94/62/346759462.db2.gz LVNXHUKENIJFFW-UHFFFAOYSA-N -1 3 284.294 2.104 20 30 CEEDHM Cc1co[n-]c1=NC(=O)c1cc2ccccc2n1CC#N ZINC000610938235 347723399 /nfs/dbraw/zinc/72/33/99/347723399.db2.gz CRUMLFOMVGBNTK-UHFFFAOYSA-N -1 3 280.287 2.136 20 30 CEEDHM COc1cc(C(=O)N2CCC[C@](C)(C#N)C2)ccc1[O-] ZINC000615434164 348328419 /nfs/dbraw/zinc/32/84/19/348328419.db2.gz VRFKWWQOTRHJJI-OAHLLOKOSA-N -1 3 274.320 2.167 20 30 CEEDHM C=CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)COC ZINC000617582702 348744282 /nfs/dbraw/zinc/74/42/82/348744282.db2.gz SGJVHOQSCMVLLF-NSHDSACASA-N -1 3 291.347 2.258 20 30 CEEDHM C=CCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000617617035 348751737 /nfs/dbraw/zinc/75/17/37/348751737.db2.gz SGQITTSLQQHQHU-UHFFFAOYSA-N -1 3 261.321 2.412 20 30 CEEDHM C=CCOCCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000618526948 348967322 /nfs/dbraw/zinc/96/73/22/348967322.db2.gz WBZVALMGHSSTPL-UHFFFAOYSA-N -1 3 263.337 2.332 20 30 CEEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1csc(=O)[n-]1 ZINC000619417519 349174701 /nfs/dbraw/zinc/17/47/01/349174701.db2.gz JLWPXNPWHJSSMZ-NSHDSACASA-N -1 3 285.328 2.138 20 30 CEEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1 ZINC000123006114 187065645 /nfs/dbraw/zinc/06/56/45/187065645.db2.gz NABWQVCHQDBHND-UHFFFAOYSA-N -1 3 283.349 2.181 20 30 CEEDHM CCCn1nccc1C([O-])=C(C#N)c1ccccn1 ZINC000578524541 366508082 /nfs/dbraw/zinc/50/80/82/366508082.db2.gz JDGYNJXXXSRBMN-LLVKDONJSA-N -1 3 254.293 2.178 20 30 CEEDHM COc1cccc(C(=O)N(CC#N)C2CCCC2)c1[O-] ZINC000080212288 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ZINC000292636068 377260257 /nfs/dbraw/zinc/26/02/57/377260257.db2.gz LEJPEYWSQHTWLT-UHFFFAOYSA-N -1 3 262.338 2.161 20 30 CEEDHM Cc1cc(C#N)ccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000162552575 249321385 /nfs/dbraw/zinc/32/13/85/249321385.db2.gz LRZWXWJNECUABR-UHFFFAOYSA-N -1 3 295.224 2.256 20 30 CEEDHM Cc1cc(C#N)ccc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000162552575 249321388 /nfs/dbraw/zinc/32/13/88/249321388.db2.gz LRZWXWJNECUABR-UHFFFAOYSA-N -1 3 295.224 2.256 20 30 CEEDHM N#Cc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1[O-] ZINC000332474927 377618129 /nfs/dbraw/zinc/61/81/29/377618129.db2.gz WIFNXXGZNJRXDD-UHFFFAOYSA-N -1 3 296.330 2.007 20 30 CEEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000432288283 377740384 /nfs/dbraw/zinc/74/03/84/377740384.db2.gz XYVABWOOPLJPIF-UHFFFAOYSA-N -1 3 285.413 2.345 20 30 CEEDHM C=C[C@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436930008 377835178 /nfs/dbraw/zinc/83/51/78/377835178.db2.gz GNKZYNLRILMRHG-GFCCVEGCSA-N -1 3 299.326 2.461 20 30 CEEDHM Cc1cc(NC(=O)c2cccc([O-])c2)n(CCC#N)n1 ZINC000540958474 380263854 /nfs/dbraw/zinc/26/38/54/380263854.db2.gz ZUFPTMMBZODRQQ-UHFFFAOYSA-N -1 3 270.292 2.063 20 30 CEEDHM N#Cc1ccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC000491352876 380309078 /nfs/dbraw/zinc/30/90/78/380309078.db2.gz QUVAVLJFTSNASP-WHLNPGIBSA-N -1 3 272.304 2.146 20 30 CEEDHM N#CC(=C([O-])c1cccnc1C1CC1)c1ccncn1 ZINC000544816202 380365466 /nfs/dbraw/zinc/36/54/66/380365466.db2.gz CYOFHIFIGSCIPY-LBPRGKRZSA-N -1 3 264.288 2.239 20 30 CEEDHM Cc1csc(C[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000334408235 380369589 /nfs/dbraw/zinc/36/95/89/380369589.db2.gz RQKYSQZPZGHROR-UHFFFAOYSA-N -1 3 298.414 2.468 20 30 CEEDHM CC(C)Cn1nccc1C([O-])=C(C#N)c1ccccn1 ZINC000574809225 335048896 /nfs/dbraw/zinc/04/88/96/335048896.db2.gz ITHPHIWFDHEOQL-LBPRGKRZSA-N -1 3 268.320 2.424 20 30 CEEDHM C=CCn1c(=O)[n-]nc1SC1CC(OC(C)C)C1 ZINC000413002106 394457920 /nfs/dbraw/zinc/45/79/20/394457920.db2.gz STNQPPDNDFNPKS-UHFFFAOYSA-N -1 3 269.370 2.218 20 30 CEEDHM Cn1cc(C#N)cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000227545335 394473199 /nfs/dbraw/zinc/47/31/99/394473199.db2.gz YFHPUHGMGTYPDW-UHFFFAOYSA-N -1 3 266.260 2.319 20 30 CEEDHM CCO[C@@H](CC/N=C/c1c([O-])c(C)ncc1CO)C(C)C ZINC000266845536 394670656 /nfs/dbraw/zinc/67/06/56/394670656.db2.gz OTVMXZNUVWDEKZ-ZUZCKIMGSA-N -1 3 294.395 2.458 20 30 CEEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C#N)c1Cl ZINC000334278045 394670893 /nfs/dbraw/zinc/67/08/93/394670893.db2.gz DTTQNIFQFJHZAK-SSDOTTSWSA-N -1 3 293.175 2.492 20 30 CEEDHM CC[C@H](C#N)[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000270383583 394732700 /nfs/dbraw/zinc/73/27/00/394732700.db2.gz ZHCBGHDGFCZCEL-RXMQYKEDSA-N -1 3 260.190 2.275 20 30 CEEDHM [O-]c1ccccc1/C=N/C[C@@H]1COC2(CCCC2)O1 ZINC000271593301 394759131 /nfs/dbraw/zinc/75/91/31/394759131.db2.gz YNLUCLHGEDDLEN-BPKVKKHESA-N -1 3 261.321 2.497 20 30 CEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126694705 394847879 /nfs/dbraw/zinc/84/78/79/394847879.db2.gz JTDNOQXEYKCFOY-JTQLQIEISA-N -1 3 297.767 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OBPPHBAXZSIWPR-SNVBAGLBSA-N -1 3 250.298 2.015 20 30 CEEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(=O)[O-])cn1 ZINC000659802036 415694869 /nfs/dbraw/zinc/69/48/69/415694869.db2.gz NUOHEZGKWQCSGM-OKILXGFUSA-N -1 3 258.321 2.463 20 30 CEEDHM Cc1csc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCC2)n1 ZINC000349683144 226807372 /nfs/dbraw/zinc/80/73/72/226807372.db2.gz GPHMHZPUPLQVQP-JTQLQIEISA-N -1 3 299.421 2.126 20 30 CEEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000336485636 227057052 /nfs/dbraw/zinc/05/70/52/227057052.db2.gz YLVBSWKGWSUUEC-UHFFFAOYSA-N -1 3 284.406 2.356 20 30 CEEDHM Cc1ccccc1-c1cc(=NC(=O)[C@@]2(C#N)C[C@H]2C)[nH][n-]1 ZINC000336209119 228213977 /nfs/dbraw/zinc/21/39/77/228213977.db2.gz OAEOFBRERCVQQN-BDJLRTHQSA-N -1 3 280.331 2.295 20 30 CEEDHM C=CCON=C([O-])Nc1cccc(N2CCOC2=O)c1C ZINC000497183309 262083717 /nfs/dbraw/zinc/08/37/17/262083717.db2.gz YNAYUCDDWPPIFG-UHFFFAOYSA-N -1 3 291.307 2.191 20 30 CEEDHM C=CCO[N-]C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000497183309 262083720 /nfs/dbraw/zinc/08/37/20/262083720.db2.gz YNAYUCDDWPPIFG-UHFFFAOYSA-N -1 3 291.307 2.191 20 30 CEEDHM COc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)cc(OC)c1[O-] ZINC000273905136 263020408 /nfs/dbraw/zinc/02/04/08/263020408.db2.gz YIEJIHAOFCJCPU-LBPRGKRZSA-N -1 3 292.335 2.077 20 30 CEEDHM CCCOc1ccc(/C=N/[C@H]2COC[C@@H]2OC)c([O-])c1 ZINC000290509610 263117209 /nfs/dbraw/zinc/11/72/09/263117209.db2.gz JOMCUTATSLNZQJ-GGLKDVFASA-N -1 3 279.336 2.014 20 30 CEEDHM C=C(C)COCCNC(=O)c1ccc(CC)cc1[O-] ZINC000188389130 263795362 /nfs/dbraw/zinc/79/53/62/263795362.db2.gz YBZPJFKNBPIMHC-UHFFFAOYSA-N -1 3 263.337 2.277 20 30 CEEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000874866595 649858930 /nfs/dbraw/zinc/85/89/30/649858930.db2.gz PCIIAKBAPAYKIO-JOCQHMNTSA-N -1 3 294.354 2.450 20 30 CEEDHM CC(C)(CO)C(C)(C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000330830335 264049961 /nfs/dbraw/zinc/04/99/61/264049961.db2.gz RWRZGBYRNNBUFK-UHFFFAOYSA-N -1 3 276.340 2.060 20 30 CEEDHM Cc1noc([C@H](C)NC(=O)c2ccc(C)cc2[O-])n1 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2.495 20 30 CEEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000152732205 334510906 /nfs/dbraw/zinc/51/09/06/334510906.db2.gz UHGVLTJMHFDJSP-MRVPVSSYSA-N -1 3 275.757 2.201 20 30 CEEDHM CN(Cc1cn2ccccc2c1C#N)C(C)(C)C(=O)[O-] ZINC000061172892 523494572 /nfs/dbraw/zinc/49/45/72/523494572.db2.gz LRTFKJQQYNRSMZ-UHFFFAOYSA-N -1 3 271.320 2.106 20 30 CEEDHM N#Cc1cccc(CNC(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156173217 526705958 /nfs/dbraw/zinc/70/59/58/526705958.db2.gz HSPAAHYIGPPEQV-UHFFFAOYSA-N -1 3 299.305 2.402 20 30 CEEDHM C=C(C[N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1 ZINC000344930890 526882632 /nfs/dbraw/zinc/88/26/32/526882632.db2.gz KUDHVNSRIOQROH-UHFFFAOYSA-N -1 3 292.335 2.212 20 30 CEEDHM C=CCC(CC=C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352983880 527028525 /nfs/dbraw/zinc/02/85/25/527028525.db2.gz FSDGJCZMQUQIOR-CYBMUJFWSA-N -1 3 275.352 2.390 20 30 CEEDHM CC(C)CC[C@@](C)(NCc1cccc(C#N)n1)C(=O)[O-] ZINC000417537531 527830908 /nfs/dbraw/zinc/83/09/08/527830908.db2.gz SNEGPFTXUWILAE-OAHLLOKOSA-N -1 3 275.352 2.322 20 30 CEEDHM COCCON=C(C)c1ccc(N2CCCC2)cc1[O-] ZINC000748791676 574440884 /nfs/dbraw/zinc/44/08/84/574440884.db2.gz WKTVGTQLAXPDCH-UHFFFAOYSA-N -1 3 278.352 2.379 20 30 CEEDHM Cc1nc2n(n1)C[C@H](/N=C\c1cc(Cl)ccc1[O-])CC2 ZINC000727061220 574445393 /nfs/dbraw/zinc/44/53/93/574445393.db2.gz IJHDGIRBDQGTIA-YNUIFBACSA-N -1 3 290.754 2.379 20 30 CEEDHM COc1cccc([O-])c1/C=N\CCOc1cccnc1 ZINC000733904168 574690054 /nfs/dbraw/zinc/69/00/54/574690054.db2.gz VRPOWWOSJCQUDO-BOPFTXTBSA-N -1 3 272.304 2.294 20 30 CEEDHM C=CCCCNc1cc(-c2nnn[n-]2)ccc1OC ZINC000735413214 574755830 /nfs/dbraw/zinc/75/58/30/574755830.db2.gz QCBMKJTWTBFCNT-UHFFFAOYSA-N -1 3 259.313 2.253 20 30 CEEDHM C=CCCCNc1cc(-c2nn[n-]n2)ccc1OC ZINC000735413214 574755831 /nfs/dbraw/zinc/75/58/31/574755831.db2.gz QCBMKJTWTBFCNT-UHFFFAOYSA-N -1 3 259.313 2.253 20 30 CEEDHM C=C1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000735402069 574756610 /nfs/dbraw/zinc/75/66/10/574756610.db2.gz HCQCXLPJQUNYHH-VOTSOKGWSA-N -1 3 295.346 2.059 20 30 CEEDHM C=C1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735402069 574756611 /nfs/dbraw/zinc/75/66/11/574756611.db2.gz HCQCXLPJQUNYHH-VOTSOKGWSA-N -1 3 295.346 2.059 20 30 CEEDHM CC#CCN(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735449822 574758108 /nfs/dbraw/zinc/75/81/08/574758108.db2.gz SUUKDVGSOBVIHC-GFCCVEGCSA-N -1 3 269.352 2.273 20 30 CEEDHM C=CCCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000735525936 574760825 /nfs/dbraw/zinc/76/08/25/574760825.db2.gz RKUYGTZTEOBUTI-UHFFFAOYSA-N -1 3 283.349 2.181 20 30 CEEDHM CCCN1c2ccccc2C(=N[N-]c2cccnn2)C1=O ZINC000735976089 574772939 /nfs/dbraw/zinc/77/29/39/574772939.db2.gz BBYHLWJHPJZERL-UHFFFAOYSA-N -1 3 281.319 2.049 20 30 CEEDHM CC(=NO[C@@H]1CCCCO1)c1ccc(O)cc1[O-] ZINC000755824612 574776363 /nfs/dbraw/zinc/77/63/63/574776363.db2.gz XCJUVXYZNKQMGD-CYBMUJFWSA-N -1 3 251.282 2.365 20 30 CEEDHM CC(C#N)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000736204033 574778046 /nfs/dbraw/zinc/77/80/46/574778046.db2.gz XBYKBFMSGNBLOM-QMMMGPOBSA-N -1 3 288.328 2.375 20 30 CEEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(C)cs1 ZINC000739301363 574907869 /nfs/dbraw/zinc/90/78/69/574907869.db2.gz FCKLZVBHSHBRKL-DTWKUNHWSA-N -1 3 281.337 2.064 20 30 CEEDHM CCN(CCNC(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000739434337 574918503 /nfs/dbraw/zinc/91/85/03/574918503.db2.gz VNXTUWGBBJANTA-LLVKDONJSA-N -1 3 261.325 2.209 20 30 CEEDHM CC1(C)[C@H](/N=C\c2ccc(O)c([O-])c2O)[C@@H]2CCCO[C@@H]21 ZINC000741463863 574987863 /nfs/dbraw/zinc/98/78/63/574987863.db2.gz IYYKQPMCLOBIPL-HJSDYHJZSA-N -1 3 291.347 2.426 20 30 CEEDHM COc1cccc([O-])c1/C=N/C[C@@](C)(O)c1ccco1 ZINC000741464464 574987897 /nfs/dbraw/zinc/98/78/97/574987897.db2.gz OZDVIZRWQDXDRS-INQNZLQJSA-N -1 3 275.304 2.320 20 30 CEEDHM C=CCN(CC(=O)N=c1cc[n-]n1[C@H](C)C1CC1)C(C)C ZINC000741777009 574997982 /nfs/dbraw/zinc/99/79/82/574997982.db2.gz IDSYZUPJXMXJPF-CYBMUJFWSA-N -1 3 290.411 2.111 20 30 CEEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)c1 ZINC000744027501 575112394 /nfs/dbraw/zinc/11/23/94/575112394.db2.gz WTEMSYQUBXAXMY-DANTVBBOSA-N -1 3 284.315 2.309 20 30 CEEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NOCc1cccnc1 ZINC000746587169 575160352 /nfs/dbraw/zinc/16/03/52/575160352.db2.gz HLZICYXAMILYKQ-UHFFFAOYSA-N -1 3 285.278 2.402 20 30 CEEDHM CC(C(=O)Nc1cc(C#N)ccc1[O-])C(F)(F)F ZINC000748410378 575185845 /nfs/dbraw/zinc/18/58/45/575185845.db2.gz JIMRLILZAANEQV-ZCFIWIBFSA-N -1 3 258.199 2.401 20 30 CEEDHM C[C@H](C/N=C/c1ccc(O)c([O-])c1O)c1ccncc1 ZINC000749843652 575237197 /nfs/dbraw/zinc/23/71/97/575237197.db2.gz CXYVONNHIPEWMV-IYPWXLATSA-N -1 3 272.304 2.421 20 30 CEEDHM Fc1ccc(C#CCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822766852 607325876 /nfs/dbraw/zinc/32/58/76/607325876.db2.gz OTZMDYTWLLGPPL-UHFFFAOYSA-N -1 3 294.289 2.436 20 30 CEEDHM N#Cc1ccsc1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000737728307 598573875 /nfs/dbraw/zinc/57/38/75/598573875.db2.gz LMXCHMQGLQVSOR-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1ccsc1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000737728307 598573877 /nfs/dbraw/zinc/57/38/77/598573877.db2.gz LMXCHMQGLQVSOR-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM C=CC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccncc1 ZINC000819734351 599438526 /nfs/dbraw/zinc/43/85/26/599438526.db2.gz MSVVFMVGIBBUFO-CYBMUJFWSA-N -1 3 296.334 2.262 20 30 CEEDHM C=CCSCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000819759191 599502319 /nfs/dbraw/zinc/50/23/19/599502319.db2.gz PTHAPICLHKKDDO-UHFFFAOYSA-N -1 3 279.344 2.337 20 30 CEEDHM C=CCSCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000819759191 599502318 /nfs/dbraw/zinc/50/23/18/599502318.db2.gz PTHAPICLHKKDDO-UHFFFAOYSA-N -1 3 279.344 2.337 20 30 CEEDHM C=C(C)CCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819722934 599626821 /nfs/dbraw/zinc/62/68/21/599626821.db2.gz RKGWMLLWILBEHD-FPLPWBNLSA-N -1 3 284.319 2.389 20 30 CEEDHM C=C(C)CCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819722934 599626822 /nfs/dbraw/zinc/62/68/22/599626822.db2.gz RKGWMLLWILBEHD-FPLPWBNLSA-N -1 3 284.319 2.389 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000822826448 607459024 /nfs/dbraw/zinc/45/90/24/607459024.db2.gz YVHCHRZGFHHCIP-XQRVVYSFSA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000822826448 607459025 /nfs/dbraw/zinc/45/90/25/607459025.db2.gz YVHCHRZGFHHCIP-XQRVVYSFSA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000822826447 607459118 /nfs/dbraw/zinc/45/91/18/607459118.db2.gz YVHCHRZGFHHCIP-GQCTYLIASA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000822826447 607459119 /nfs/dbraw/zinc/45/91/19/607459119.db2.gz YVHCHRZGFHHCIP-GQCTYLIASA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1cccc([C@H](NCc2ccccc2)C(=O)[O-])c1 ZINC000833075291 601297986 /nfs/dbraw/zinc/29/79/86/601297986.db2.gz JWNGQPHPUJBOSV-HNNXBMFYSA-N -1 3 266.300 2.474 20 30 CEEDHM C[C@H](CN(C)CC#Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000827442802 601419497 /nfs/dbraw/zinc/41/94/97/601419497.db2.gz UZTPEWVVTLWYIP-LLVKDONJSA-N -1 3 265.740 2.344 20 30 CEEDHM CC1(C#N)CCN(Cc2ccccc2CC(=O)[O-])CC1 ZINC000226319176 605679186 /nfs/dbraw/zinc/67/91/86/605679186.db2.gz LJRDMORNVPXRFR-UHFFFAOYSA-N -1 3 272.348 2.439 20 30 CEEDHM N#Cc1ccccc1CN[C@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000833975594 606075087 /nfs/dbraw/zinc/07/50/87/606075087.db2.gz DCJWNFYDYWTUQB-KGLIPLIRSA-N -1 3 273.336 2.084 20 30 CEEDHM C=C(C)CSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819722194 606179015 /nfs/dbraw/zinc/17/90/15/606179015.db2.gz BSVUWFZWVSOYDQ-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM C=C(C)CSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819722194 606179017 /nfs/dbraw/zinc/17/90/17/606179017.db2.gz BSVUWFZWVSOYDQ-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM C=CCCCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734326 606315988 /nfs/dbraw/zinc/31/59/88/606315988.db2.gz LYHAGEUOGYWTGO-UHFFFAOYSA-N -1 3 271.324 2.186 20 30 CEEDHM C=CCCCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734326 606315989 /nfs/dbraw/zinc/31/59/89/606315989.db2.gz LYHAGEUOGYWTGO-UHFFFAOYSA-N -1 3 271.324 2.186 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000822826436 606390905 /nfs/dbraw/zinc/39/09/05/606390905.db2.gz YLMJKPUZMWEPPX-ARJAWSKDSA-N -1 3 280.316 2.365 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000822826436 606390906 /nfs/dbraw/zinc/39/09/06/606390906.db2.gz YLMJKPUZMWEPPX-ARJAWSKDSA-N -1 3 280.316 2.365 20 30 CEEDHM N#Cc1cccnc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000822842687 606433105 /nfs/dbraw/zinc/43/31/05/606433105.db2.gz UGBLVQXUNPPMAV-UHFFFAOYSA-N -1 3 298.306 2.424 20 30 CEEDHM N#Cc1cccnc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000822842687 606433106 /nfs/dbraw/zinc/43/31/06/606433106.db2.gz UGBLVQXUNPPMAV-UHFFFAOYSA-N -1 3 298.306 2.424 20 30 CEEDHM c1cc(OCCCON=C2CCC2)cc(-c2nnn[n-]2)c1 ZINC000823761974 606840096 /nfs/dbraw/zinc/84/00/96/606840096.db2.gz CLRRHPVETFQOJQ-UHFFFAOYSA-N -1 3 287.323 2.192 20 30 CEEDHM c1cc(OCCCON=C2CCC2)cc(-c2nn[n-]n2)c1 ZINC000823761974 606840097 /nfs/dbraw/zinc/84/00/97/606840097.db2.gz CLRRHPVETFQOJQ-UHFFFAOYSA-N -1 3 287.323 2.192 20 30 CEEDHM C(=NOCc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000823867592 607885710 /nfs/dbraw/zinc/88/57/10/607885710.db2.gz CUVQBIZIMDXPOL-UHFFFAOYSA-N -1 3 279.303 2.417 20 30 CEEDHM C(=NOCc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000823867592 607885711 /nfs/dbraw/zinc/88/57/11/607885711.db2.gz CUVQBIZIMDXPOL-UHFFFAOYSA-N -1 3 279.303 2.417 20 30 CEEDHM C[C@H](C#N)CN(C)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000824034231 608367435 /nfs/dbraw/zinc/36/74/35/608367435.db2.gz IEICPTJHHGRRKY-SNVBAGLBSA-N -1 3 293.334 2.011 20 30 CEEDHM C[C@H](C#N)CN(C)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000824034231 608367437 /nfs/dbraw/zinc/36/74/37/608367437.db2.gz IEICPTJHHGRRKY-SNVBAGLBSA-N -1 3 293.334 2.011 20 30 CEEDHM C=CCCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000823894423 608588522 /nfs/dbraw/zinc/58/85/22/608588522.db2.gz PWQKCFNJAFJGQJ-JTQLQIEISA-N -1 3 258.329 2.418 20 30 CEEDHM C=CCCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000823894423 608588525 /nfs/dbraw/zinc/58/85/25/608588525.db2.gz PWQKCFNJAFJGQJ-JTQLQIEISA-N -1 3 258.329 2.418 20 30 CEEDHM N#Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826385609 608869486 /nfs/dbraw/zinc/86/94/86/608869486.db2.gz UAOBFNCLJJUQGX-UHFFFAOYSA-N -1 3 282.332 2.412 20 30 CEEDHM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826385609 608869487 /nfs/dbraw/zinc/86/94/87/608869487.db2.gz UAOBFNCLJJUQGX-UHFFFAOYSA-N -1 3 282.332 2.412 20 30 CEEDHM CC(C)(C#N)CCOc1ccccc1-c1nnn[n-]1 ZINC000824059089 609282172 /nfs/dbraw/zinc/28/21/72/609282172.db2.gz MGSOUQNAOYJWID-UHFFFAOYSA-N -1 3 257.297 2.185 20 30 CEEDHM CC(C)(C#N)CCOc1ccccc1-c1nn[n-]n1 ZINC000824059089 609282173 /nfs/dbraw/zinc/28/21/73/609282173.db2.gz MGSOUQNAOYJWID-UHFFFAOYSA-N -1 3 257.297 2.185 20 30 CEEDHM COC(=O)CSCC/N=C\c1cc(Cl)ccc1[O-] ZINC000255622751 625288158 /nfs/dbraw/zinc/28/81/58/625288158.db2.gz QJJKDJVBIZAUAJ-AUWJEWJLSA-N -1 3 287.768 2.371 20 30 CEEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000234027200 622868553 /nfs/dbraw/zinc/86/85/53/622868553.db2.gz RRNZUSYEYQBSHG-MRVPVSSYSA-N -1 3 277.798 2.400 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)C[C@@H](C)c1c(C)n[nH]c1C ZINC000846550105 623394850 /nfs/dbraw/zinc/39/48/50/623394850.db2.gz UYGUZFOOAXLIFG-RKDXNWHRSA-N -1 3 251.330 2.142 20 30 CEEDHM C=CCC1(O)CCN(C(=O)c2cccc(CC)c2[O-])CC1 ZINC000924435616 624639964 /nfs/dbraw/zinc/63/99/64/624639964.db2.gz UZUNEJOPSKCQOI-UHFFFAOYSA-N -1 3 289.375 2.498 20 30 CEEDHM C[C@@H]1COC(=O)C1=N[N-]c1c(F)cccc1Cl ZINC000794930244 629362499 /nfs/dbraw/zinc/36/24/99/629362499.db2.gz FSLFFPDHXSZVIO-ZCFIWIBFSA-N -1 3 256.664 2.440 20 30 CEEDHM O=C1[C@@H](NCc2c(F)ccc(F)c2Cl)CCCN1[O-] ZINC000895158044 629974321 /nfs/dbraw/zinc/97/43/21/629974321.db2.gz VUMNOOVJYRDUCI-JTQLQIEISA-N -1 3 290.697 2.088 20 30 CEEDHM O=C1[C@@H](NCc2ccc(Cl)cc2Cl)CCCN1[O-] ZINC000895166295 629990434 /nfs/dbraw/zinc/99/04/34/629990434.db2.gz QTWHFRQNDPTYJG-NSHDSACASA-N -1 3 289.162 2.463 20 30 CEEDHM C=CCO[N-]C(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000821891494 634820103 /nfs/dbraw/zinc/82/01/03/634820103.db2.gz FAVZPAQPFBKHGX-RKDXNWHRSA-N -1 3 267.247 2.110 20 30 CEEDHM CCCCN([O-])C(=O)C1CCN(CC(F)(F)F)CC1 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ZINC000282753827 263078454 /nfs/dbraw/zinc/07/84/54/263078454.db2.gz PRIDVBIDYUYZTH-UHFFFAOYSA-N -1 3 274.320 2.158 20 30 CEEDHM CCOC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC)c([O-])c1 ZINC000285851957 263096177 /nfs/dbraw/zinc/09/61/77/263096177.db2.gz UKVCYPLITHDWIC-HNNXBMFYSA-N -1 3 290.319 2.447 20 30 CEEDHM C=CCOCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000340326452 263113184 /nfs/dbraw/zinc/11/31/84/263113184.db2.gz JCRSVKSTFGYGBY-UHFFFAOYSA-N -1 3 255.701 2.495 20 30 CEEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000292457825 263132409 /nfs/dbraw/zinc/13/24/09/263132409.db2.gz LNATXLPTOYNFND-INIZCTEOSA-N -1 3 281.315 2.362 20 30 CEEDHM CC[C@H](C)CON=C([O-])Nc1cc(C)n(CCC#N)n1 ZINC000296876766 263197699 /nfs/dbraw/zinc/19/76/99/263197699.db2.gz LMCFGCLJHFWGJK-JTQLQIEISA-N -1 3 279.344 2.204 20 30 CEEDHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C)n(CCC#N)n1 ZINC000296876766 263197700 /nfs/dbraw/zinc/19/77/00/263197700.db2.gz LMCFGCLJHFWGJK-JTQLQIEISA-N -1 3 279.344 2.204 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CCCC(C)C)c1[O-] ZINC000298276204 263216936 /nfs/dbraw/zinc/21/69/36/263216936.db2.gz AGFSOKTVZJVUPI-OVCLIPMQSA-N -1 3 250.342 2.443 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416497348 263731687 /nfs/dbraw/zinc/73/16/87/263731687.db2.gz SQVOQLVMXCCPCI-NSHDSACASA-N -1 3 283.397 2.025 20 30 CEEDHM CC(C)(C)Cc1csc(NC(=O)c2cnn[n-]2)n1 ZINC000330682105 264003126 /nfs/dbraw/zinc/00/31/26/264003126.db2.gz PTEOMGPZGVBYCR-UHFFFAOYSA-N -1 3 265.342 2.486 20 30 CEEDHM CC(C)(C)Cc1csc(NC(=O)c2c[n-]nn2)n1 ZINC000330682105 264003129 /nfs/dbraw/zinc/00/31/29/264003129.db2.gz PTEOMGPZGVBYCR-UHFFFAOYSA-N -1 3 265.342 2.486 20 30 CEEDHM CC(C)(C)Cc1csc(NC(=O)c2cn[n-]n2)n1 ZINC000330682105 264003131 /nfs/dbraw/zinc/00/31/31/264003131.db2.gz PTEOMGPZGVBYCR-UHFFFAOYSA-N -1 3 265.342 2.486 20 30 CEEDHM CC[C@H](C)CN(C)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331165516 264143817 /nfs/dbraw/zinc/14/38/17/264143817.db2.gz MBERRVBJLCUHMD-ZETCQYMHSA-N -1 3 293.293 2.215 20 30 CEEDHM CC[C@H](C)CN(C)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000331165516 264143818 /nfs/dbraw/zinc/14/38/18/264143818.db2.gz MBERRVBJLCUHMD-ZETCQYMHSA-N -1 3 293.293 2.215 20 30 CEEDHM CC[C@H](C)CN(C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331165516 264143822 /nfs/dbraw/zinc/14/38/22/264143822.db2.gz MBERRVBJLCUHMD-ZETCQYMHSA-N -1 3 293.293 2.215 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1[O-] ZINC000331342052 264195543 /nfs/dbraw/zinc/19/55/43/264195543.db2.gz KOHAEVXFYXFKNK-BXKDBHETSA-N -1 3 277.320 2.324 20 30 CEEDHM C[C@@H](CC#N)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000357368660 266285574 /nfs/dbraw/zinc/28/55/74/266285574.db2.gz ULTFNFZOQRWCCX-QMMMGPOBSA-N -1 3 297.152 2.116 20 30 CEEDHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C[C@@H]1C ZINC000235346517 267030923 /nfs/dbraw/zinc/03/09/23/267030923.db2.gz IXVDFAVDFGNCHO-WOPDTQHZSA-N -1 3 293.392 2.056 20 30 CEEDHM CC[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1C)OC ZINC000421149044 267214499 /nfs/dbraw/zinc/21/44/99/267214499.db2.gz FLGMXVWKOQXLNC-GFCCVEGCSA-N -1 3 282.365 2.033 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)c1C#N ZINC000451686159 268055674 /nfs/dbraw/zinc/05/56/74/268055674.db2.gz DJIJOSFKKJCYSX-VIFPVBQESA-N -1 3 288.319 2.189 20 30 CEEDHM COc1cccc(NC(=O)c2ncc(C#N)cc2C)c1[O-] ZINC000551940719 298464451 /nfs/dbraw/zinc/46/44/51/298464451.db2.gz AVAXSYYVHZGILO-UHFFFAOYSA-N -1 3 283.287 2.228 20 30 CEEDHM CCn1nc(C)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1C ZINC000563224346 327981423 /nfs/dbraw/zinc/98/14/23/327981423.db2.gz KOHUUSTYERAICW-UHFFFAOYSA-N -1 3 298.412 2.201 20 30 CEEDHM C=CC[C@@H](CO)CNCc1cccc([O-])c1Cl ZINC000339338654 328006285 /nfs/dbraw/zinc/00/62/85/328006285.db2.gz SAIHJNKJSXAMOZ-SNVBAGLBSA-N -1 3 255.745 2.320 20 30 CEEDHM CCc1ccc(C(=O)N2CCSC[C@@H]2C#N)c([O-])c1 ZINC000276194372 328217509 /nfs/dbraw/zinc/21/75/09/328217509.db2.gz CXTVMIXYYOPRKQ-NSHDSACASA-N -1 3 276.361 2.036 20 30 CEEDHM CC(C)CO[C@H](C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000049137291 328342460 /nfs/dbraw/zinc/34/24/60/328342460.db2.gz QRLWIDFQTYLAKN-ZCFIWIBFSA-N -1 3 280.250 2.473 20 30 CEEDHM CC(C)CO[C@H](C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000049137291 328342462 /nfs/dbraw/zinc/34/24/62/328342462.db2.gz QRLWIDFQTYLAKN-ZCFIWIBFSA-N -1 3 280.250 2.473 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c(Cl)c1 ZINC000581932584 322432112 /nfs/dbraw/zinc/43/21/12/322432112.db2.gz ISBSKWBDKHAXGS-JTQLQIEISA-N -1 3 296.779 2.290 20 30 CEEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(C(C)=O)c1 ZINC000570344392 327584274 /nfs/dbraw/zinc/58/42/74/327584274.db2.gz SEXBUILTZWDSMD-GFCCVEGCSA-N -1 3 280.349 2.242 20 30 CEEDHM CC[C@@H](C#N)NC(=O)Cc1ccc([O-])cc1Cl ZINC000182275819 329241499 /nfs/dbraw/zinc/24/14/99/329241499.db2.gz IEEHAMJNCFNWCB-VIFPVBQESA-N -1 3 252.701 2.006 20 30 CEEDHM COCc1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000049155729 329635628 /nfs/dbraw/zinc/63/56/28/329635628.db2.gz QIPDHYBJWPMACF-SECBINFHSA-N -1 3 273.317 2.175 20 30 CEEDHM CN(CCC#N)C(=O)c1cc([O-])cc(Br)c1 ZINC000528170084 330311348 /nfs/dbraw/zinc/31/13/48/330311348.db2.gz NYPFJEDHQMDZBJ-UHFFFAOYSA-N -1 3 283.125 2.140 20 30 CEEDHM CC#CCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000436900758 330688182 /nfs/dbraw/zinc/68/81/82/330688182.db2.gz JYYUCUDFFRHXHU-UHFFFAOYSA-N -1 3 257.333 2.414 20 30 CEEDHM CCOC(=O)c1ccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c([O-])c1 ZINC000450414193 330977602 /nfs/dbraw/zinc/97/76/02/330977602.db2.gz WTPXTLXIYIRMRI-RFAUZJTJSA-N -1 3 288.303 2.057 20 30 CEEDHM C=CCC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(=O)OCC ZINC000456601372 331196156 /nfs/dbraw/zinc/19/61/56/331196156.db2.gz FZLZQEMBWYYFFM-CYBMUJFWSA-N -1 3 291.347 2.328 20 30 CEEDHM N#CCCN(Cc1cc(=O)[n-]c(C2CC2)n1)CC1CC1 ZINC000459352489 331277699 /nfs/dbraw/zinc/27/76/99/331277699.db2.gz HNJKNMHNZKKCQC-UHFFFAOYSA-N -1 3 272.352 2.185 20 30 CEEDHM C=CCn1cccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000489020327 332037918 /nfs/dbraw/zinc/03/79/18/332037918.db2.gz RXQNVPOACUNHSC-UHFFFAOYSA-N -1 3 296.334 2.050 20 30 CEEDHM C=CCn1cccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000489020327 332037920 /nfs/dbraw/zinc/03/79/20/332037920.db2.gz RXQNVPOACUNHSC-UHFFFAOYSA-N -1 3 296.334 2.050 20 30 CEEDHM N#CCOc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1 ZINC000492396834 332395563 /nfs/dbraw/zinc/39/55/63/332395563.db2.gz JASFUBFWEKTYEG-SNAWJCMRSA-N -1 3 295.298 2.341 20 30 CEEDHM N#CC1CCC(CNC(=O)/C=C\c2cncc([O-])c2)CC1 ZINC000493598232 332446579 /nfs/dbraw/zinc/44/65/79/332446579.db2.gz OPKKFHATBJDYHP-WAYWQWQTSA-N -1 3 285.347 2.247 20 30 CEEDHM N#CC(=C([O-])c1cncc(F)c1)c1nnc2n1CCCCC2 ZINC000177731460 333062449 /nfs/dbraw/zinc/06/24/49/333062449.db2.gz NWSUNYFUHJBUFH-LBPRGKRZSA-N -1 3 299.309 2.029 20 30 CEEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000546734046 334048790 /nfs/dbraw/zinc/04/87/90/334048790.db2.gz RGGOHCMSXMMBHP-UHFFFAOYSA-N -1 3 282.340 2.332 20 30 CEEDHM CCOC(=O)N1CC[C@H](/N=C\c2ccccc2[O-])C1 ZINC000495464451 500695526 /nfs/dbraw/zinc/69/55/26/500695526.db2.gz WCBJNLYMMPNEDC-ZENNRRHLSA-N -1 3 262.309 2.042 20 30 CEEDHM COC(=O)c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049457446 522203162 /nfs/dbraw/zinc/20/31/62/522203162.db2.gz ZIOKOCRPRZVBQM-CYBMUJFWSA-N -1 3 280.283 2.358 20 30 CEEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccoc1 ZINC000351943526 526950605 /nfs/dbraw/zinc/95/06/05/526950605.db2.gz GYZKBDDJERRYPS-UHFFFAOYSA-N -1 3 293.344 2.323 20 30 CEEDHM COC(=O)N1CCC[C@H](/N=C\c2c([O-])cccc2OC)C1 ZINC000726429982 574426306 /nfs/dbraw/zinc/42/63/06/574426306.db2.gz UMUUIILTLUOZHX-RCEBRVLHSA-N -1 3 292.335 2.051 20 30 CEEDHM Cc1ccc(N=NC(C)c2ccc([O-])cc2F)nn1 ZINC000729937872 574496627 /nfs/dbraw/zinc/49/66/27/574496627.db2.gz IVXHGFVWNDBNAQ-UHFFFAOYSA-N -1 3 260.272 2.466 20 30 CEEDHM N#Cc1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737717208 574520671 /nfs/dbraw/zinc/52/06/71/574520671.db2.gz AZPPDFVNLFSXRQ-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737717208 574520672 /nfs/dbraw/zinc/52/06/72/574520672.db2.gz AZPPDFVNLFSXRQ-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM CCOc1ccc(/C=N/C2CCN(CC#N)CC2)c([O-])c1 ZINC000730434466 574519867 /nfs/dbraw/zinc/51/98/67/574519867.db2.gz NHQIKHIOLULZTE-LDADJPATSA-N -1 3 287.363 2.198 20 30 CEEDHM CCOc1ccc(/C=N/[C@H](C)CS(=O)(=O)CC)c([O-])c1 ZINC000733205462 574657460 /nfs/dbraw/zinc/65/74/60/574657460.db2.gz WOSJJEKRGDZVSJ-BTAWCLGRSA-N -1 3 299.392 2.033 20 30 CEEDHM C=CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccncc1 ZINC000734359961 574710699 /nfs/dbraw/zinc/71/06/99/574710699.db2.gz DFZVEDCLFSRQRR-ZDUSSCGKSA-N -1 3 293.330 2.400 20 30 CEEDHM C=CC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000735409919 574755166 /nfs/dbraw/zinc/75/51/66/574755166.db2.gz OSWMWNJVKFPBKO-UHFFFAOYSA-N -1 3 296.378 2.153 20 30 CEEDHM C=CC1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000735409919 574755168 /nfs/dbraw/zinc/75/51/68/574755168.db2.gz OSWMWNJVKFPBKO-UHFFFAOYSA-N -1 3 296.378 2.153 20 30 CEEDHM C=CCCC(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000735408790 574756918 /nfs/dbraw/zinc/75/69/18/574756918.db2.gz QTEORRJLHSUKTC-UHFFFAOYSA-N -1 3 277.353 2.395 20 30 CEEDHM C=CCCC(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000735408790 574756920 /nfs/dbraw/zinc/75/69/20/574756920.db2.gz QTEORRJLHSUKTC-UHFFFAOYSA-N -1 3 277.353 2.395 20 30 CEEDHM C=CCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735408010 574756982 /nfs/dbraw/zinc/75/69/82/574756982.db2.gz DVBBYHJLMBDREA-UHFFFAOYSA-N -1 3 297.362 2.324 20 30 CEEDHM C=CCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735408010 574756985 /nfs/dbraw/zinc/75/69/85/574756985.db2.gz DVBBYHJLMBDREA-UHFFFAOYSA-N -1 3 297.362 2.324 20 30 CEEDHM C=CCSCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000735443420 574758027 /nfs/dbraw/zinc/75/80/27/574758027.db2.gz UWJLTNJJWVRYNW-UHFFFAOYSA-N -1 3 296.787 2.246 20 30 CEEDHM C=CCSCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000735443420 574758028 /nfs/dbraw/zinc/75/80/28/574758028.db2.gz UWJLTNJJWVRYNW-UHFFFAOYSA-N -1 3 296.787 2.246 20 30 CEEDHM C=CCCN1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736102765 574775691 /nfs/dbraw/zinc/77/56/91/574775691.db2.gz WZQZYRWRGAWGCN-ZDUSSCGKSA-N -1 3 274.364 2.471 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)C1CCOCC1 ZINC000736430927 574787895 /nfs/dbraw/zinc/78/78/95/574787895.db2.gz NSLUFXIRGIORQU-BRSWLGOBSA-N -1 3 283.755 2.252 20 30 CEEDHM C[C@@H](CN(C)Cc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC000736576575 574792577 /nfs/dbraw/zinc/79/25/77/574792577.db2.gz DHKCIPRNAQZUTG-JTQLQIEISA-N -1 3 296.754 2.395 20 30 CEEDHM CCN(CC)c1ccc(/C=[NH+]\C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000737089481 574808919 /nfs/dbraw/zinc/80/89/19/574808919.db2.gz XDWRXJAOBZAGRY-FFCYNSPCSA-N -1 3 278.352 2.378 20 30 CEEDHM Cc1ncccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737503072 574837111 /nfs/dbraw/zinc/83/71/11/574837111.db2.gz RMEUYWWHBQBWRP-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM Cc1ncccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737503072 574837112 /nfs/dbraw/zinc/83/71/12/574837112.db2.gz RMEUYWWHBQBWRP-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM CC(C)(C)CN(CCC#N)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738698005 574874418 /nfs/dbraw/zinc/87/44/18/574874418.db2.gz LFEDBDVAVXKKIG-LBPRGKRZSA-N -1 3 267.373 2.248 20 30 CEEDHM Cc1ncc(CO)c(C=Nc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000747706974 575173902 /nfs/dbraw/zinc/17/39/02/575173902.db2.gz ARXWILQDEZCSAN-UHFFFAOYSA-N -1 3 287.275 2.247 20 30 CEEDHM N#Cc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000748277538 575181831 /nfs/dbraw/zinc/18/18/31/575181831.db2.gz KYRFBUPXDUNEFB-UHFFFAOYSA-N -1 3 287.296 2.365 20 30 CEEDHM Cc1[nH]c2ccc(Cl)cc2c1C=NN1CC(=O)[N-]C1=O ZINC000752720204 575313627 /nfs/dbraw/zinc/31/36/27/575313627.db2.gz GXETWTZBZFRHNR-UHFFFAOYSA-N -1 3 290.710 2.015 20 30 CEEDHM C#CCOc1ccc(C(=O)Nc2nc(C)ccc2[O-])cc1 ZINC000753465520 575326932 /nfs/dbraw/zinc/32/69/32/575326932.db2.gz NEXMCKWXOGQCQO-UHFFFAOYSA-N -1 3 282.299 2.360 20 30 CEEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc1 ZINC000753535009 575329316 /nfs/dbraw/zinc/32/93/16/575329316.db2.gz YVDGZXLOCGNUEO-ZDUSSCGKSA-N -1 3 279.299 2.351 20 30 CEEDHM Cc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822350132 607252711 /nfs/dbraw/zinc/25/27/11/607252711.db2.gz AUEUGSSPFSGTLE-UHFFFAOYSA-N -1 3 292.346 2.299 20 30 CEEDHM Cc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822350132 607252712 /nfs/dbraw/zinc/25/27/12/607252712.db2.gz AUEUGSSPFSGTLE-UHFFFAOYSA-N -1 3 292.346 2.299 20 30 CEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)o1 ZINC000819772803 607253648 /nfs/dbraw/zinc/25/36/48/607253648.db2.gz LVZLRXVOJXQQDV-UHFFFAOYSA-N -1 3 296.334 2.282 20 30 CEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)o1 ZINC000819772803 607253649 /nfs/dbraw/zinc/25/36/49/607253649.db2.gz LVZLRXVOJXQQDV-UHFFFAOYSA-N -1 3 296.334 2.282 20 30 CEEDHM C=CCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819733885 599525652 /nfs/dbraw/zinc/52/56/52/599525652.db2.gz DOTPWBIKNQCKCE-JTQLQIEISA-N -1 3 271.324 2.010 20 30 CEEDHM C=CCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819733885 599525654 /nfs/dbraw/zinc/52/56/54/599525654.db2.gz DOTPWBIKNQCKCE-JTQLQIEISA-N -1 3 271.324 2.010 20 30 CEEDHM N#CCSCCCSc1ccc(-c2nnn[n-]2)cn1 ZINC000822814573 599690136 /nfs/dbraw/zinc/69/01/36/599690136.db2.gz JKZMURXAQPJMRY-UHFFFAOYSA-N -1 3 292.393 2.001 20 30 CEEDHM N#CCSCCCSc1ccc(-c2nn[n-]n2)cn1 ZINC000822814573 599690137 /nfs/dbraw/zinc/69/01/37/599690137.db2.gz JKZMURXAQPJMRY-UHFFFAOYSA-N -1 3 292.393 2.001 20 30 CEEDHM CCN(CC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000829635909 601531125 /nfs/dbraw/zinc/53/11/25/601531125.db2.gz ZKYMQAQAYWNRMP-UHFFFAOYSA-N -1 3 284.262 2.066 20 30 CEEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccnc(C#N)c1 ZINC000826278839 607549624 /nfs/dbraw/zinc/54/96/24/607549624.db2.gz VKBQRZRGGCGRHW-UHFFFAOYSA-N -1 3 291.318 2.054 20 30 CEEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccnc(C#N)c1 ZINC000826278839 607549626 /nfs/dbraw/zinc/54/96/26/607549626.db2.gz VKBQRZRGGCGRHW-UHFFFAOYSA-N -1 3 291.318 2.054 20 30 CEEDHM C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C)N1C(=O)[O-] ZINC000826059487 603996235 /nfs/dbraw/zinc/99/62/35/603996235.db2.gz VNHBVPGRBZMBIP-RYUDHWBXSA-N -1 3 267.373 2.389 20 30 CEEDHM N#Cc1ccc(C=Cc2cc(-c3nnn[n-]3)cs2)nc1 ZINC000822825480 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ZINC000822837886 606926961 /nfs/dbraw/zinc/92/69/61/606926961.db2.gz WUATWRCUGJWDQC-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822837886 606926962 /nfs/dbraw/zinc/92/69/62/606926962.db2.gz WUATWRCUGJWDQC-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM COCCCC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000821686925 607036822 /nfs/dbraw/zinc/03/68/22/607036822.db2.gz FQGDRAORSUUWDQ-UHFFFAOYSA-N -1 3 274.328 2.081 20 30 CEEDHM COCCCC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000821686925 607036825 /nfs/dbraw/zinc/03/68/25/607036825.db2.gz FQGDRAORSUUWDQ-UHFFFAOYSA-N -1 3 274.328 2.081 20 30 CEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccco1 ZINC000822922819 607252125 /nfs/dbraw/zinc/25/21/25/607252125.db2.gz KGPOEPJMVHGCAF-ONEGZZNKSA-N -1 3 272.289 2.417 20 30 CEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccco1 ZINC000822922819 607252126 /nfs/dbraw/zinc/25/21/26/607252126.db2.gz KGPOEPJMVHGCAF-ONEGZZNKSA-N -1 3 272.289 2.417 20 30 CEEDHM C=CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 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CC(=NNc1ccnc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823963068 609279735 /nfs/dbraw/zinc/27/97/35/609279735.db2.gz UUSLANNMVIBATA-UHFFFAOYSA-N -1 3 297.297 2.237 20 30 CEEDHM CC(=NNc1ccnc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823963068 609279737 /nfs/dbraw/zinc/27/97/37/609279737.db2.gz UUSLANNMVIBATA-UHFFFAOYSA-N -1 3 297.297 2.237 20 30 CEEDHM C[C@H](C#N)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824033996 609384257 /nfs/dbraw/zinc/38/42/57/609384257.db2.gz FCPNOANUDXTBDI-SSDOTTSWSA-N -1 3 296.256 2.457 20 30 CEEDHM C[C@H](C#N)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824033996 609384259 /nfs/dbraw/zinc/38/42/59/609384259.db2.gz FCPNOANUDXTBDI-SSDOTTSWSA-N -1 3 296.256 2.457 20 30 CEEDHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824929747 609501681 /nfs/dbraw/zinc/50/16/81/609501681.db2.gz YMNZOGLVUJWBRK-BXKDBHETSA-N -1 3 296.334 2.113 20 30 CEEDHM C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824929747 609501684 /nfs/dbraw/zinc/50/16/84/609501684.db2.gz YMNZOGLVUJWBRK-BXKDBHETSA-N -1 3 296.334 2.113 20 30 CEEDHM C#CCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000780864305 609506329 /nfs/dbraw/zinc/50/63/29/609506329.db2.gz ZIBMDMZSCANQTR-UHFFFAOYSA-N -1 3 283.335 2.389 20 30 CEEDHM C#CCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000780864305 609506330 /nfs/dbraw/zinc/50/63/30/609506330.db2.gz ZIBMDMZSCANQTR-UHFFFAOYSA-N -1 3 283.335 2.389 20 30 CEEDHM N#Cc1ccccc1/C=C\C(=O)[N-]O[C@@H]1CCCCO1 ZINC000255755182 625448167 /nfs/dbraw/zinc/44/81/67/625448167.db2.gz MEWPQFSVNAMGDK-WHLNPGIBSA-N -1 3 272.304 2.146 20 30 CEEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000890648159 622746845 /nfs/dbraw/zinc/74/68/45/622746845.db2.gz UCBHXWWVKYSPSP-LLVKDONJSA-N -1 3 259.305 2.029 20 30 CEEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000890656348 622757725 /nfs/dbraw/zinc/75/77/25/622757725.db2.gz WICLXXCZKYSZPN-CYBMUJFWSA-N -1 3 271.316 2.223 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)CCc1c(C)noc1Cl ZINC000846551999 623397195 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Cc1ncc(CO)c(/C=N/[C@H]2CCCc3cccnc32)c1[O-] ZINC000899227545 632744009 /nfs/dbraw/zinc/74/40/09/632744009.db2.gz NHMDPKKVHPQEBB-FULVDIRDSA-N -1 3 297.358 2.479 20 30 CEEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC=CC[C@H]2C)c1[O-] ZINC000899231510 632746338 /nfs/dbraw/zinc/74/63/38/632746338.db2.gz FOGCHMDGZYHHCZ-GSAIQRRHSA-N -1 3 260.337 2.362 20 30 CEEDHM C#CC[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)c1ccccn1 ZINC000815935743 633082417 /nfs/dbraw/zinc/08/24/17/633082417.db2.gz OQAIUUITHDCIFE-CQSZACIVSA-N -1 3 298.298 2.118 20 30 CEEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000815992032 633095808 /nfs/dbraw/zinc/09/58/08/633095808.db2.gz TXOGOSAGQQBDCC-AWEZNQCLSA-N -1 3 297.310 2.203 20 30 CEEDHM O=C(Cc1cscn1)N([O-])Cc1ccc(F)cc1 ZINC000900094126 633411490 /nfs/dbraw/zinc/41/14/90/633411490.db2.gz HKQLBUQFJHEKNM-UHFFFAOYSA-N -1 3 266.297 2.243 20 30 CEEDHM CC(C)CC1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCCC1 ZINC000816755116 633471941 /nfs/dbraw/zinc/47/19/41/633471941.db2.gz SZFSHMOJHDPEBH-GFCCVEGCSA-N -1 3 282.384 2.089 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000900682749 633806083 /nfs/dbraw/zinc/80/60/83/633806083.db2.gz QNDZEOYSKHSXFE-CQSZACIVSA-N -1 3 290.363 2.053 20 30 CEEDHM [O-]c1ccc(C=NNC2CCC(F)(F)CC2)nc1 ZINC000901341333 634057606 /nfs/dbraw/zinc/05/76/06/634057606.db2.gz BZCVVSQCGISKLC-UHFFFAOYSA-N -1 3 255.268 2.289 20 30 CEEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)[C@H](C)O1 ZINC000901372629 634073805 /nfs/dbraw/zinc/07/38/05/634073805.db2.gz JKZWFPMQNHYPNB-NRUUGDAUSA-N -1 3 267.300 2.357 20 30 CEEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(=O)[nH]1 ZINC000901376459 634078337 /nfs/dbraw/zinc/07/83/37/634078337.db2.gz SWKCCCJWOYNLQI-UHFFFAOYSA-N -1 3 276.267 2.266 20 30 CEEDHM Cc1nn(C)c(C)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376822 634080135 /nfs/dbraw/zinc/08/01/35/634080135.db2.gz YNZGUEGRLHAYFR-UHFFFAOYSA-N -1 3 277.299 2.208 20 30 CEEDHM C=CCOC[C@H](NCc1ccc(F)cc1Cl)C(=O)[O-] ZINC000901811386 634317955 /nfs/dbraw/zinc/31/79/55/634317955.db2.gz 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N#Cc1cccc(C#N)c1NCc1n[n-]c(C(F)(F)F)n1 ZINC000436344158 268271417 /nfs/dbraw/zinc/27/14/17/268271417.db2.gz ZQSDRSXZIGAHDH-UHFFFAOYSA-N -1 3 292.224 2.179 20 30 CEEDHM N#Cc1cccc(C#N)c1NCc1nc(C(F)(F)F)n[n-]1 ZINC000436344158 268271420 /nfs/dbraw/zinc/27/14/20/268271420.db2.gz ZQSDRSXZIGAHDH-UHFFFAOYSA-N -1 3 292.224 2.179 20 30 CEEDHM N#Cc1cccc(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000431526289 268280926 /nfs/dbraw/zinc/28/09/26/268280926.db2.gz YTYMHAAALYKBBK-UHFFFAOYSA-N -1 3 281.250 2.221 20 30 CEEDHM N#Cc1cccc(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000431526289 268280929 /nfs/dbraw/zinc/28/09/29/268280929.db2.gz YTYMHAAALYKBBK-UHFFFAOYSA-N -1 3 281.250 2.221 20 30 CEEDHM N#Cc1cccc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000431526289 268280931 /nfs/dbraw/zinc/28/09/31/268280931.db2.gz YTYMHAAALYKBBK-UHFFFAOYSA-N -1 3 281.250 2.221 20 30 CEEDHM CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156005639 289187544 /nfs/dbraw/zinc/18/75/44/289187544.db2.gz DYQGUBYKTJNHIR-UHFFFAOYSA-N -1 3 272.757 2.288 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000557095598 313683996 /nfs/dbraw/zinc/68/39/96/313683996.db2.gz JPZADMGIAPJCTI-MDZLAQPJSA-N -1 3 294.351 2.164 20 30 CEEDHM Cc1cc(NC(=O)c2ccc(C)cc2[O-])nn1CCC#N ZINC000271041593 328194601 /nfs/dbraw/zinc/19/46/01/328194601.db2.gz OGRFSDNQTXCJPO-UHFFFAOYSA-N -1 3 284.319 2.372 20 30 CEEDHM N#CCCCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000178296614 329195673 /nfs/dbraw/zinc/19/56/73/329195673.db2.gz CHKAGLNOJHODDW-UHFFFAOYSA-N -1 3 266.728 2.398 20 30 CEEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CC2(C)C)c([O-])c1C ZINC000292592456 328272561 /nfs/dbraw/zinc/27/25/61/328272561.db2.gz WBZDFUVSOGCOBL-OAHLLOKOSA-N -1 3 258.321 2.431 20 30 CEEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cnc(C)s1 ZINC000281582985 328499576 /nfs/dbraw/zinc/49/95/76/328499576.db2.gz QINLERCTPLXCTA-SECBINFHSA-N -1 3 260.384 2.085 20 30 CEEDHM CCCOc1ccc(/C=N/C[C@H](C)C(=O)OC)c([O-])c1 ZINC000101799862 327222819 /nfs/dbraw/zinc/22/28/19/327222819.db2.gz UASYFOLFYHVFCG-YAFRSCOQSA-N -1 3 279.336 2.409 20 30 CEEDHM C=C1CCN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC1 ZINC000582612385 329117355 /nfs/dbraw/zinc/11/73/55/329117355.db2.gz RVIOWIZJGGJFMO-OAHLLOKOSA-N -1 3 291.347 2.482 20 30 CEEDHM CCc1cccc(C(=O)N2CCSC[C@H]2C#N)c1[O-] ZINC000537131622 330402326 /nfs/dbraw/zinc/40/23/26/330402326.db2.gz RYHPAPXFONIYAF-LLVKDONJSA-N -1 3 276.361 2.036 20 30 CEEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000451809747 331043273 /nfs/dbraw/zinc/04/32/73/331043273.db2.gz NMGMCKJCDNWOSB-UHFFFAOYSA-N -1 3 275.320 2.455 20 30 CEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000491219361 332167982 /nfs/dbraw/zinc/16/79/82/332167982.db2.gz DQMHOLDTSBNGMN-UHFFFAOYSA-N -1 3 281.311 2.373 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-]CC(C)(C)CC#N)c1F ZINC000315693817 333383294 /nfs/dbraw/zinc/38/32/94/333383294.db2.gz XEISKNCUVLKYLI-UHFFFAOYSA-N -1 3 284.356 2.352 20 30 CEEDHM CC(C)n1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cn1 ZINC000565057221 334536943 /nfs/dbraw/zinc/53/69/43/334536943.db2.gz WKMMCUNFRXYFHS-UHFFFAOYSA-N -1 3 284.385 2.146 20 30 CEEDHM C=CCC(CC=C)C(=O)N=c1[n-]n(C)cc1Br ZINC000576876892 335259034 /nfs/dbraw/zinc/25/90/34/335259034.db2.gz NDVAPOKBXGLFCO-UHFFFAOYSA-N -1 3 298.184 2.311 20 30 CEEDHM CCc1cc2c(CN(CC)CC#N)cc(=O)oc2cc1[O-] ZINC000068959200 523845742 /nfs/dbraw/zinc/84/57/42/523845742.db2.gz GOSADPOPOVYKTP-UHFFFAOYSA-N -1 3 286.331 2.406 20 30 CEEDHM COc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccccn2)c1 ZINC000067893505 525450768 /nfs/dbraw/zinc/45/07/68/525450768.db2.gz FMZUVXJWBLRJID-LBPRGKRZSA-N -1 3 297.270 2.488 20 30 CEEDHM Cc1ccc(C(=O)NCC#Cc2ccccc2)c([O-])c1 ZINC000049346821 526152585 /nfs/dbraw/zinc/15/25/85/526152585.db2.gz BWFKIQPRTPJERB-UHFFFAOYSA-N -1 3 265.312 2.482 20 30 CEEDHM C=C(C[N-]S(=O)(=O)c1ccccn1)c1ccccc1 ZINC000344895387 526883778 /nfs/dbraw/zinc/88/37/78/526883778.db2.gz LYQUUVZXZCOXGD-UHFFFAOYSA-N -1 3 274.345 2.073 20 30 CEEDHM C=CCCOCCCCC(=O)NCc1ncccc1[O-] ZINC000352517522 527335881 /nfs/dbraw/zinc/33/58/81/527335881.db2.gz QCZZWYVRDHYZEC-UHFFFAOYSA-N -1 3 278.352 2.166 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000334670042 527513034 /nfs/dbraw/zinc/51/30/34/527513034.db2.gz KDKXCCLAXOVVRG-NEPJUHHUSA-N -1 3 267.712 2.119 20 30 CEEDHM [O-]c1c(O)ccc(C=NNCc2ccc(F)cc2F)c1O ZINC000727062660 574445397 /nfs/dbraw/zinc/44/53/97/574445397.db2.gz XZJQPGAAFKDZIZ-UHFFFAOYSA-N -1 3 294.257 2.205 20 30 CEEDHM N#Cc1cc(NC(=O)[C@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737703395 574449333 /nfs/dbraw/zinc/44/93/33/574449333.db2.gz BPJCHDAJCDEUJB-JTQLQIEISA-N -1 3 294.318 2.033 20 30 CEEDHM N#Cc1cc(NC(=O)[C@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737703395 574449334 /nfs/dbraw/zinc/44/93/34/574449334.db2.gz BPJCHDAJCDEUJB-JTQLQIEISA-N -1 3 294.318 2.033 20 30 CEEDHM C=CCOc1cccc(CNC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000738505666 574468221 /nfs/dbraw/zinc/46/82/21/574468221.db2.gz PUPFTJQEUXTUQQ-AWEZNQCLSA-N -1 3 290.363 2.483 20 30 CEEDHM Cc1ccc(N=NC(C)c2cc(F)ccc2[O-])nn1 ZINC000729936586 574496541 /nfs/dbraw/zinc/49/65/41/574496541.db2.gz WFRVOMLANRKEGG-UHFFFAOYSA-N -1 3 260.272 2.466 20 30 CEEDHM Cc1ncc(CO)c(/C=N/C2C(C)(C)C2(C)C)c1[O-] ZINC000751891379 575300257 /nfs/dbraw/zinc/30/02/57/575300257.db2.gz ZDSGCLQGJUPBJW-REZTVBANSA-N -1 3 262.353 2.441 20 30 CEEDHM COc1cccc([O-])c1/C=N\CCOC[C@H]1CCCO1 ZINC000734303395 574707393 /nfs/dbraw/zinc/70/73/93/574707393.db2.gz NDMHLTCSYJVNMN-YUSFRKCESA-N -1 3 279.336 2.015 20 30 CEEDHM C=CC[C@@H](C)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735409677 574756820 /nfs/dbraw/zinc/75/68/20/574756820.db2.gz IMTOYKAWBNHIPR-SECBINFHSA-N -1 3 288.380 2.118 20 30 CEEDHM C=CC[C@@H](C)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000735409677 574756823 /nfs/dbraw/zinc/75/68/23/574756823.db2.gz IMTOYKAWBNHIPR-SECBINFHSA-N -1 3 288.380 2.118 20 30 CEEDHM C=CC1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000735409597 574756912 /nfs/dbraw/zinc/75/69/12/574756912.db2.gz GNKWOGUHCVFQDK-UHFFFAOYSA-N -1 3 284.367 2.281 20 30 CEEDHM C=CC1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000735409597 574756914 /nfs/dbraw/zinc/75/69/14/574756914.db2.gz GNKWOGUHCVFQDK-UHFFFAOYSA-N -1 3 284.367 2.281 20 30 CEEDHM N#Cc1ccc(CNC[C@H]2CCCN(C(=O)[O-])C2)c(F)c1 ZINC000740315069 574952055 /nfs/dbraw/zinc/95/20/55/574952055.db2.gz KQQVTFCKXKIURR-GFCCVEGCSA-N -1 3 291.326 2.177 20 30 CEEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc2ccccc2n1 ZINC000741461710 574987834 /nfs/dbraw/zinc/98/78/34/574987834.db2.gz PHEDIWWXGBYKDR-UHFFFAOYSA-N -1 3 289.302 2.347 20 30 CEEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)c1 ZINC000744027504 575112314 /nfs/dbraw/zinc/11/23/14/575112314.db2.gz WTEMSYQUBXAXMY-WBTMPAOCSA-N -1 3 284.315 2.309 20 30 CEEDHM CO[C@@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000753136658 575320597 /nfs/dbraw/zinc/32/05/97/575320597.db2.gz FIWLBGQHZWYZNJ-UOZUHTBQSA-N -1 3 265.309 2.036 20 30 CEEDHM Cc1ccc([O-])c(NC(=O)Cc2cccc(OCC#N)c2)n1 ZINC000753463614 575326891 /nfs/dbraw/zinc/32/68/91/575326891.db2.gz AIVCHJQYJQWGKM-UHFFFAOYSA-N -1 3 297.314 2.179 20 30 CEEDHM O=C1c2ccccc2OC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823503153 599116827 /nfs/dbraw/zinc/11/68/27/599116827.db2.gz CGQVJHSWFMSZHW-NTEUORMPSA-N -1 3 290.282 2.483 20 30 CEEDHM O=C1c2ccccc2OC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503153 599116830 /nfs/dbraw/zinc/11/68/30/599116830.db2.gz CGQVJHSWFMSZHW-NTEUORMPSA-N -1 3 290.282 2.483 20 30 CEEDHM Cc1cn(CCCC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC000822384915 607330530 /nfs/dbraw/zinc/33/05/30/607330530.db2.gz UXQCRWZYSRMZAH-UHFFFAOYSA-N -1 3 258.329 2.307 20 30 CEEDHM Cc1cn(CCCC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC000822384915 607330531 /nfs/dbraw/zinc/33/05/31/607330531.db2.gz UXQCRWZYSRMZAH-UHFFFAOYSA-N -1 3 258.329 2.307 20 30 CEEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832342565 601297713 /nfs/dbraw/zinc/29/77/13/601297713.db2.gz VKKQYQFHAPJBIA-INIZCTEOSA-N -1 3 296.326 2.482 20 30 CEEDHM CC(C)CON=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824271879 607530410 /nfs/dbraw/zinc/53/04/10/607530410.db2.gz RNZOFJFRZMORHS-UHFFFAOYSA-N -1 3 263.276 2.012 20 30 CEEDHM CC(C)CON=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824271879 607530412 /nfs/dbraw/zinc/53/04/12/607530412.db2.gz RNZOFJFRZMORHS-UHFFFAOYSA-N -1 3 263.276 2.012 20 30 CEEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccnc1)c1cccc(C#N)c1 ZINC000827716887 605005521 /nfs/dbraw/zinc/00/55/21/605005521.db2.gz BUJVZFJDGGBJLF-ABAIWWIYSA-N -1 3 281.315 2.430 20 30 CEEDHM C#CC[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(C)C ZINC000819692751 606468444 /nfs/dbraw/zinc/46/84/44/606468444.db2.gz JRHYSLHTODWXPF-JTQLQIEISA-N -1 3 290.348 2.133 20 30 CEEDHM C#CC[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(C)C ZINC000819692751 606468445 /nfs/dbraw/zinc/46/84/45/606468445.db2.gz JRHYSLHTODWXPF-JTQLQIEISA-N -1 3 290.348 2.133 20 30 CEEDHM N#Cc1cccnc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000822842758 606944978 /nfs/dbraw/zinc/94/49/78/606944978.db2.gz XHWCDMBQMLRYTE-UHFFFAOYSA-N -1 3 280.316 2.285 20 30 CEEDHM N#Cc1cccnc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000822842758 606944979 /nfs/dbraw/zinc/94/49/79/606944979.db2.gz XHWCDMBQMLRYTE-UHFFFAOYSA-N -1 3 280.316 2.285 20 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CEEDHM C#CCCCSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000823841159 608259797 /nfs/dbraw/zinc/25/97/97/608259797.db2.gz JDQFZBUSUSBWGZ-UHFFFAOYSA-N -1 3 273.365 2.384 20 30 CEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCC2(C#N)CC2)n1 ZINC000826263167 608330201 /nfs/dbraw/zinc/33/02/01/608330201.db2.gz OAJKSTLCFUKOHE-UHFFFAOYSA-N -1 3 286.364 2.274 20 30 CEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCC2(C#N)CC2)n1 ZINC000826263167 608330203 /nfs/dbraw/zinc/33/02/03/608330203.db2.gz OAJKSTLCFUKOHE-UHFFFAOYSA-N -1 3 286.364 2.274 20 30 CEEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000823894308 608588289 /nfs/dbraw/zinc/58/82/89/608588289.db2.gz MXYBAMFAIRWPQU-SNVBAGLBSA-N -1 3 258.329 2.418 20 30 CEEDHM C=CCCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000823894308 608588291 /nfs/dbraw/zinc/58/82/91/608588291.db2.gz MXYBAMFAIRWPQU-SNVBAGLBSA-N -1 3 258.329 2.418 20 30 CEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cscn1 ZINC000826399751 608667639 /nfs/dbraw/zinc/66/76/39/608667639.db2.gz DWJQFOKGLFTYMY-ZZXKWVIFSA-N -1 3 283.316 2.219 20 30 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C=C(C)CN(C)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823877656 609317749 /nfs/dbraw/zinc/31/77/49/609317749.db2.gz CINWLXFAEMSYPR-UHFFFAOYSA-N -1 3 298.272 2.293 20 30 CEEDHM CC[C@@H](O)CNN=Cc1c([O-])cc(C)cc1Cl ZINC000841640027 625453446 /nfs/dbraw/zinc/45/34/46/625453446.db2.gz WMBWDEDZFSIXEA-SECBINFHSA-N -1 3 256.733 2.048 20 30 CEEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCOC1 ZINC000254987644 622715868 /nfs/dbraw/zinc/71/58/68/622715868.db2.gz KWASEAPEZMHGQX-MBGMWABPSA-N -1 3 270.126 2.363 20 30 CEEDHM Cc1cccc([O-])c1C(=O)NCC#C[C@@H]1CCCCO1 ZINC000891105522 623179407 /nfs/dbraw/zinc/17/94/07/623179407.db2.gz BSMIUUNXJBXMPF-ZDUSSCGKSA-N -1 3 273.332 2.003 20 30 CEEDHM Cc1cc(Br)c([O-])c(CNCCC#N)c1 ZINC000309080347 624530897 /nfs/dbraw/zinc/53/08/97/624530897.db2.gz OQZINMJRFPZOGD-UHFFFAOYSA-N -1 3 269.142 2.466 20 30 CEEDHM O=C1CCc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2N1 ZINC000255886098 625909779 /nfs/dbraw/zinc/90/97/79/625909779.db2.gz CRDYDBHFIWTJRZ-UHFFFAOYSA-N -1 3 298.298 2.439 20 30 CEEDHM 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CC(C)[C@@H](C#N)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436552702 330679931 /nfs/dbraw/zinc/67/99/31/330679931.db2.gz CPSXPLOQWOLAPE-GFCCVEGCSA-N -1 3 288.347 2.384 20 30 CEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000451398016 331027558 /nfs/dbraw/zinc/02/75/58/331027558.db2.gz IUUXURQIUMLBHQ-VIFPVBQESA-N -1 3 258.368 2.027 20 30 CEEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1sccc1OC ZINC000451810824 331043268 /nfs/dbraw/zinc/04/32/68/331043268.db2.gz MNDJMKGDZRIXEQ-UHFFFAOYSA-N -1 3 275.395 2.247 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000452959607 331081844 /nfs/dbraw/zinc/08/18/44/331081844.db2.gz QYOQCZSICXDCKS-HIFRSBDPSA-N -1 3 293.338 2.314 20 30 CEEDHM C=CCn1cccc1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000488506051 332014318 /nfs/dbraw/zinc/01/43/18/332014318.db2.gz SCXOJSOAOSCGGK-UHFFFAOYSA-N -1 3 294.318 2.107 20 30 CEEDHM C=CCn1cccc1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000488506051 332014319 /nfs/dbraw/zinc/01/43/19/332014319.db2.gz SCXOJSOAOSCGGK-UHFFFAOYSA-N -1 3 294.318 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JVRIFDYHMCTXFD-SNVBAGLBSA-N -1 3 279.303 2.393 20 30 CEEDHM C=C[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000336084409 527453522 /nfs/dbraw/zinc/45/35/22/527453522.db2.gz RGWZSKIQWNYJQZ-LLVKDONJSA-N -1 3 299.330 2.143 20 30 CEEDHM CCN(CC#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000344811634 527880689 /nfs/dbraw/zinc/88/06/89/527880689.db2.gz MFUXEUQMSLWWFQ-UHFFFAOYSA-N -1 3 264.300 2.226 20 30 CEEDHM C#Cc1ccc(C(=O)Nc2n[n-]c(-c3cccs3)n2)cn1 ZINC000728960327 574474147 /nfs/dbraw/zinc/47/41/47/574474147.db2.gz LEFKLYLJEZZHNK-UHFFFAOYSA-N -1 3 295.327 2.162 20 30 CEEDHM COc1cccc([O-])c1/C=N\CC1CCN(C(C)=O)CC1 ZINC000729641826 574490112 /nfs/dbraw/zinc/49/01/12/574490112.db2.gz YWIDEPOENMNYMF-BOPFTXTBSA-N -1 3 290.363 2.078 20 30 CEEDHM C#Cc1cccc(NC(=O)c2cc3n[n-]nc3cc2F)c1 ZINC000753793878 574515987 /nfs/dbraw/zinc/51/59/87/574515987.db2.gz OUCMIRVFGMJZPU-UHFFFAOYSA-N -1 3 280.262 2.331 20 30 CEEDHM C#CCOc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000730952090 574584381 /nfs/dbraw/zinc/58/43/81/574584381.db2.gz SAOGYJBCILIVQB-UHFFFAOYSA-N -1 3 296.326 2.351 20 30 CEEDHM Cc1cc(N=NC(C)c2ccc([O-])c(F)c2)ncn1 ZINC000731935669 574607595 /nfs/dbraw/zinc/60/75/95/574607595.db2.gz LBNHJDVZQDXORM-UHFFFAOYSA-N -1 3 260.272 2.466 20 30 CEEDHM COc1cccc([O-])c1/C=N\CCN(C)CC(F)(F)F ZINC000732622656 574624640 /nfs/dbraw/zinc/62/46/40/574624640.db2.gz VURMEBDRMOBGLK-IUXPMGMMSA-N -1 3 290.285 2.314 20 30 CEEDHM Cc1ccc(F)c2c1C(=NNc1ccc(F)cn1)C(=O)[N-]2 ZINC000732711691 574626753 /nfs/dbraw/zinc/62/67/53/574626753.db2.gz HENHULDXAZXLSR-UHFFFAOYSA-N -1 3 288.257 2.437 20 30 CEEDHM CCOc1ccc(/C=N\[C@@H](C)CS(=O)(=O)CC)c([O-])c1 ZINC000733205463 574657489 /nfs/dbraw/zinc/65/74/89/574657489.db2.gz WOSJJEKRGDZVSJ-GPILYODUSA-N -1 3 299.392 2.033 20 30 CEEDHM Cc1ccc(N=NC(C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000735450897 574757753 /nfs/dbraw/zinc/75/77/53/574757753.db2.gz JALZYUBGOPKUID-UHFFFAOYSA-N -1 3 293.334 2.406 20 30 CEEDHM Cc1ccc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735450897 574757755 /nfs/dbraw/zinc/75/77/55/574757755.db2.gz JALZYUBGOPKUID-UHFFFAOYSA-N -1 3 293.334 2.406 20 30 CEEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCC1 ZINC000736204429 574778051 /nfs/dbraw/zinc/77/80/51/574778051.db2.gz ROEJURKALZNBQZ-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCC1 ZINC000736204429 574778052 /nfs/dbraw/zinc/77/80/52/574778052.db2.gz ROEJURKALZNBQZ-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CC(C)CN(CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738822318 574783606 /nfs/dbraw/zinc/78/36/06/574783606.db2.gz VVZGZBIDUYAIKD-CYBMUJFWSA-N -1 3 267.373 2.248 20 30 CEEDHM Cc1ncccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737503346 574837100 /nfs/dbraw/zinc/83/71/00/574837100.db2.gz URIANGXCHDXTAO-FPLPWBNLSA-N -1 3 291.314 2.466 20 30 CEEDHM Cc1ncccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737503346 574837102 /nfs/dbraw/zinc/83/71/02/574837102.db2.gz URIANGXCHDXTAO-FPLPWBNLSA-N -1 3 291.314 2.466 20 30 CEEDHM CC#CCN1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738502396 574866127 /nfs/dbraw/zinc/86/61/27/574866127.db2.gz CEHWHRQSAHPDEA-STQMWFEESA-N -1 3 250.342 2.007 20 30 CEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744032989 575112520 /nfs/dbraw/zinc/11/25/20/575112520.db2.gz KYHMSPVROHCAFC-CEOUIICOSA-N -1 3 284.315 2.309 20 30 CEEDHM CC(=NOCc1cccnc1)c1ccc(O)cc1[O-] ZINC000746586319 575160075 /nfs/dbraw/zinc/16/00/75/575160075.db2.gz WGONUGXVBDOKSS-UHFFFAOYSA-N -1 3 258.277 2.434 20 30 CEEDHM N#Cc1cc(COC(=O)c2cc([O-])cs2)ccn1 ZINC000747055352 575166688 /nfs/dbraw/zinc/16/66/88/575166688.db2.gz UOOCRKMZACJUCI-UHFFFAOYSA-N -1 3 260.274 2.077 20 30 CEEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CCC1 ZINC000747632457 575172811 /nfs/dbraw/zinc/17/28/11/575172811.db2.gz DGMJDKJRFYBZTQ-UHFFFAOYSA-N -1 3 266.366 2.282 20 30 CEEDHM Cc1ncc(CO)c(C=Nc2n[nH]c3ccccc32)c1[O-] ZINC000747708246 575174015 /nfs/dbraw/zinc/17/40/15/575174015.db2.gz VXGDZUVJMMIQPJ-UHFFFAOYSA-N -1 3 282.303 2.215 20 30 CEEDHM N#C[C@@H](OC(=O)c1cc(-c2ccoc2)[n-]n1)C1CC1 ZINC000751176650 575284312 /nfs/dbraw/zinc/28/43/12/575284312.db2.gz WMAFSRCCGGGZNI-GFCCVEGCSA-N -1 3 257.249 2.129 20 30 CEEDHM CCOc1ccc(/C=N\[C@@H](CC)C(=O)OC)c([O-])c1 ZINC000752152862 575306125 /nfs/dbraw/zinc/30/61/25/575306125.db2.gz SUJALKNFAVMYTH-ZENNRRHLSA-N -1 3 265.309 2.161 20 30 CEEDHM N#Cc1ccc(C(=O)OCc2nc3ccccc3o2)[n-]1 ZINC000752494808 575310883 /nfs/dbraw/zinc/31/08/83/575310883.db2.gz WLYGOQXFRZESGB-UHFFFAOYSA-N -1 3 267.244 2.385 20 30 CEEDHM CCCCCCCC(=O)Nc1[n-]cnc1C(=O)OC ZINC000752973374 575317325 /nfs/dbraw/zinc/31/73/25/575317325.db2.gz GCPFWENBEATCQY-UHFFFAOYSA-N -1 3 267.329 2.495 20 30 CEEDHM CCCCCCCC(=O)Nc1nc[n-]c1C(=O)OC ZINC000752973374 575317326 /nfs/dbraw/zinc/31/73/26/575317326.db2.gz GCPFWENBEATCQY-UHFFFAOYSA-N -1 3 267.329 2.495 20 30 CEEDHM N#Cc1cc(CN2CCC[C@H](CC(=O)[O-])C2)ccc1F ZINC000236426449 597081018 /nfs/dbraw/zinc/08/10/18/597081018.db2.gz XKHAOBGJKPGZJN-LLVKDONJSA-N -1 3 276.311 2.384 20 30 CEEDHM CC(C)CCN(CCC#N)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824249571 607509998 /nfs/dbraw/zinc/50/99/98/607509998.db2.gz PJYQBWRXHMSVSO-UHFFFAOYSA-N -1 3 299.382 2.023 20 30 CEEDHM CC(=NOCc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823963057 607532242 /nfs/dbraw/zinc/53/22/42/607532242.db2.gz UNOKLTZOIOVYMG-UHFFFAOYSA-N -1 3 294.318 2.203 20 30 CEEDHM CC(=NOCc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823963057 607532243 /nfs/dbraw/zinc/53/22/43/607532243.db2.gz UNOKLTZOIOVYMG-UHFFFAOYSA-N -1 3 294.318 2.203 20 30 CEEDHM C[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1CNC(=O)[O-] ZINC000825926004 603723475 /nfs/dbraw/zinc/72/34/75/603723475.db2.gz SUWFXIBMOGFSTK-SWLSCSKDSA-N -1 3 287.363 2.426 20 30 CEEDHM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1C ZINC000833628746 604610974 /nfs/dbraw/zinc/61/09/74/604610974.db2.gz AAKKQKBUQJBZKE-QWRGUYRKSA-N -1 3 258.321 2.344 20 30 CEEDHM C[C@@H]1[C@H](C)N(C(=O)[O-])CCN1CCCC(C)(C)C#N ZINC000833829144 606035757 /nfs/dbraw/zinc/03/57/57/606035757.db2.gz QUUCMJQTGBGQIQ-NEPJUHHUSA-N -1 3 267.373 2.389 20 30 CEEDHM N#Cc1cccnc1Sc1ccc(-c2nnn[n-]2)cc1 ZINC000822842626 606430936 /nfs/dbraw/zinc/43/09/36/606430936.db2.gz QXMJRUAZLSKEJD-UHFFFAOYSA-N -1 3 280.316 2.285 20 30 CEEDHM N#Cc1cccnc1Sc1ccc(-c2nn[n-]n2)cc1 ZINC000822842626 606430939 /nfs/dbraw/zinc/43/09/39/606430939.db2.gz QXMJRUAZLSKEJD-UHFFFAOYSA-N -1 3 280.316 2.285 20 30 CEEDHM N#Cc1csc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822846237 606477488 /nfs/dbraw/zinc/47/74/88/606477488.db2.gz REZQGUSPBWZLCU-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1csc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822846237 606477489 /nfs/dbraw/zinc/47/74/89/606477489.db2.gz REZQGUSPBWZLCU-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1cccc(NCc2ccccc2-c2nnn[n-]2)c1 ZINC000822837822 606660196 /nfs/dbraw/zinc/66/01/96/606660196.db2.gz UZTICHNLGPCMKX-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM N#Cc1cccc(NCc2ccccc2-c2nn[n-]n2)c1 ZINC000822837822 606660197 /nfs/dbraw/zinc/66/01/97/606660197.db2.gz UZTICHNLGPCMKX-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM C=CCCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000823894334 607787970 /nfs/dbraw/zinc/78/79/70/607787970.db2.gz NMXCWIIKRHWRCF-UHFFFAOYSA-N -1 3 271.324 2.186 20 30 CEEDHM C=CCCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000823894334 607787971 /nfs/dbraw/zinc/78/79/71/607787971.db2.gz NMXCWIIKRHWRCF-UHFFFAOYSA-N -1 3 271.324 2.186 20 30 CEEDHM C=CCCOCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000823899147 607934735 /nfs/dbraw/zinc/93/47/35/607934735.db2.gz NMGMIWIIHNVOQH-UHFFFAOYSA-N -1 3 277.303 2.010 20 30 CEEDHM C=CCCOCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000823899147 607934736 /nfs/dbraw/zinc/93/47/36/607934736.db2.gz NMGMIWIIHNVOQH-UHFFFAOYSA-N -1 3 277.303 2.010 20 30 CEEDHM CCCCNN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000825291559 608094737 /nfs/dbraw/zinc/09/47/37/608094737.db2.gz TWIMTTJRMQZBKJ-UHFFFAOYSA-N -1 3 264.358 2.042 20 30 CEEDHM C#CCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823841764 608229303 /nfs/dbraw/zinc/22/93/03/608229303.db2.gz SIBWKIBVGXOVIW-UHFFFAOYSA-N -1 3 278.319 2.240 20 30 CEEDHM C#CCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823841764 608229305 /nfs/dbraw/zinc/22/93/05/608229305.db2.gz SIBWKIBVGXOVIW-UHFFFAOYSA-N -1 3 278.319 2.240 20 30 CEEDHM C[C@H](C#N)CN(C)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000824035285 608367130 /nfs/dbraw/zinc/36/71/30/608367130.db2.gz WBMMNVXUQRNWOL-SNVBAGLBSA-N -1 3 293.334 2.011 20 30 CEEDHM C[C@H](C#N)CN(C)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000824035285 608367132 /nfs/dbraw/zinc/36/71/32/608367132.db2.gz WBMMNVXUQRNWOL-SNVBAGLBSA-N -1 3 293.334 2.011 20 30 CEEDHM C=C(C)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823878361 609277918 /nfs/dbraw/zinc/27/79/18/609277918.db2.gz WODKNXBOEJBIIZ-UHFFFAOYSA-N -1 3 299.313 2.180 20 30 CEEDHM C[C@H](C#N)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824034018 609384242 /nfs/dbraw/zinc/38/42/42/609384242.db2.gz FPGIPRZCHFFFBQ-SSDOTTSWSA-N -1 3 296.256 2.457 20 30 CEEDHM C[C@H](C#N)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000824034018 609384244 /nfs/dbraw/zinc/38/42/44/609384244.db2.gz FPGIPRZCHFFFBQ-SSDOTTSWSA-N -1 3 296.256 2.457 20 30 CEEDHM CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000820476405 634422378 /nfs/dbraw/zinc/42/23/78/634422378.db2.gz LQPHKTHROKTCKH-NEPJUHHUSA-N -1 3 282.384 2.089 20 30 CEEDHM C#CCCCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC000893206999 628130130 /nfs/dbraw/zinc/13/01/30/628130130.db2.gz KGAAFHPIDAGAOT-UHFFFAOYSA-N -1 3 273.336 2.045 20 30 CEEDHM C[C@H](O)CN(C)N=Cc1ccc2ccccc2c1[O-] ZINC000841655598 628472759 /nfs/dbraw/zinc/47/27/59/628472759.db2.gz WYTCXLYQLRUNNV-NSHDSACASA-N -1 3 258.321 2.192 20 30 CEEDHM C=C(C)C[C@@H](NCc1nc(C)ccc1[O-])C(=O)OCC ZINC000895598303 630265264 /nfs/dbraw/zinc/26/52/64/630265264.db2.gz QQTYSQIWYJDSPU-GFCCVEGCSA-N -1 3 278.352 2.083 20 30 CEEDHM CCCCN([O-])C(=O)c1csc(NC2CC2)n1 ZINC000904210490 635502072 /nfs/dbraw/zinc/50/20/72/635502072.db2.gz RLNYJXVTPUPMJY-UHFFFAOYSA-N -1 3 255.343 2.349 20 30 CEEDHM C#CCO[C@H](C)C(=O)N([O-])CCCCc1ccccc1 ZINC000904195979 635506195 /nfs/dbraw/zinc/50/61/95/635506195.db2.gz MQDHTRUDYZWDFO-CQSZACIVSA-N -1 3 275.348 2.265 20 30 CEEDHM Cc1ccnn1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904195767 635506430 /nfs/dbraw/zinc/50/64/30/635506430.db2.gz KIRKOEOOPSTGHZ-UHFFFAOYSA-N -1 3 287.363 2.432 20 30 CEEDHM C#CCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096143 632061816 /nfs/dbraw/zinc/06/18/16/632061816.db2.gz PPPOQWBPHOLIMZ-UHFFFAOYSA-N -1 3 291.351 2.497 20 30 CEEDHM C#CCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096143 632061822 /nfs/dbraw/zinc/06/18/22/632061822.db2.gz PPPOQWBPHOLIMZ-UHFFFAOYSA-N -1 3 291.351 2.497 20 30 CEEDHM C=CCC(CC=C)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898215686 632091816 /nfs/dbraw/zinc/09/18/16/632091816.db2.gz ISURFUSTQNBUSI-LBPRGKRZSA-N -1 3 275.352 2.200 20 30 CEEDHM COC(C)(C)CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186463 632354693 /nfs/dbraw/zinc/35/46/93/632354693.db2.gz OILGIMVHJUTQIN-UHFFFAOYSA-N -1 3 263.293 2.236 20 30 CEEDHM O=C1CN(N=Cc2ccc(C3CCCC3)cc2)C(=O)[N-]1 ZINC000812224294 632494763 /nfs/dbraw/zinc/49/47/63/632494763.db2.gz JKDWAOIDUYRPEW-UHFFFAOYSA-N -1 3 271.320 2.230 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000899226298 632742238 /nfs/dbraw/zinc/74/22/38/632742238.db2.gz PLABYTJNRQZGQE-NQMTVBBZSA-N -1 3 281.739 2.268 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCS[C@H](C)C2)c1[O-] ZINC000899227808 632744140 /nfs/dbraw/zinc/74/41/40/632744140.db2.gz SGQDWPLOBXWZID-TWMPOITKSA-N -1 3 280.393 2.291 20 30 CEEDHM CC(=NNC[C@@H](C)O)c1ccc2ccccc2c1[O-] ZINC000814959605 632940276 /nfs/dbraw/zinc/94/02/76/632940276.db2.gz INBCOOVMOQNXAR-SNVBAGLBSA-N -1 3 258.321 2.240 20 30 CEEDHM CCC[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000816759923 633472918 /nfs/dbraw/zinc/47/29/18/633472918.db2.gz XOTVLRUGNSTKPI-ZIAGYGMSSA-N -1 3 290.363 2.067 20 30 CEEDHM CC(=NNCC(F)(F)F)c1ccc(F)c([O-])c1 ZINC000901220143 633995265 /nfs/dbraw/zinc/99/52/65/633995265.db2.gz KYKWDNUKPHOISY-UHFFFAOYSA-N -1 3 250.195 2.407 20 30 CEEDHM O=C(c1cnn(CC2CC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901372748 634077274 /nfs/dbraw/zinc/07/72/74/634077274.db2.gz KZONNRBLMHGIGG-UHFFFAOYSA-N -1 3 289.310 2.464 20 30 CEEDHM CCn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000901374845 634078510 /nfs/dbraw/zinc/07/85/10/634078510.db2.gz UDHZQUUIXXQWBA-UHFFFAOYSA-N -1 3 277.299 2.382 20 30 CEEDHM CCCCOCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376157 634078741 /nfs/dbraw/zinc/07/87/41/634078741.db2.gz QBUFHWDIAZOGIK-UHFFFAOYSA-N -1 3 255.289 2.360 20 30 CEEDHM CC[C@H](NCc1cn(C)cn1)c1cccc(C#N)c1[O-] ZINC000903352413 635081167 /nfs/dbraw/zinc/08/11/67/635081167.db2.gz UJZBAQDCRCSJQJ-AWEZNQCLSA-N -1 3 270.336 2.238 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1sccc1-c1nnn[n-]1 ZINC000823894654 635302346 /nfs/dbraw/zinc/30/23/46/635302346.db2.gz VRSVYUNDWOFVML-SECBINFHSA-N -1 3 291.380 2.403 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1sccc1-c1nn[n-]n1 ZINC000823894654 635302355 /nfs/dbraw/zinc/30/23/55/635302355.db2.gz VRSVYUNDWOFVML-SECBINFHSA-N -1 3 291.380 2.403 20 30 CEEDHM O=C(c1c[nH]nc1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000904172682 635491495 /nfs/dbraw/zinc/49/14/95/635491495.db2.gz AMSRJIZBLKUOEE-UHFFFAOYSA-N -1 3 275.283 2.458 20 30 CEEDHM O=C([C@H]1CCCN1C1CC1)N([O-])Cc1ccc(F)cc1 ZINC000904173913 635493358 /nfs/dbraw/zinc/49/33/58/635493358.db2.gz SUWMVJIKRQTBOW-CQSZACIVSA-N -1 3 278.327 2.170 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000904206723 635497171 /nfs/dbraw/zinc/49/71/71/635497171.db2.gz FMSTVYOFHGGTPL-VXGBXAGGSA-N -1 3 265.357 2.322 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H](OCC)[C@@H]1CCOC1 ZINC000904207235 635498892 /nfs/dbraw/zinc/49/88/92/635498892.db2.gz WLFXOHKAUGECFU-OLZOCXBDSA-N -1 3 273.373 2.226 20 30 CEEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000904209299 635501132 /nfs/dbraw/zinc/50/11/32/635501132.db2.gz YCZVKDBKQGVPBL-LBPRGKRZSA-N -1 3 282.384 2.186 20 30 CEEDHM O=C(COC1CC1)N([O-])CCCCc1ccccc1 ZINC000904192409 635504936 /nfs/dbraw/zinc/50/49/36/635504936.db2.gz KXLYEFJCYUWCDG-UHFFFAOYSA-N -1 3 263.337 2.406 20 30 CEEDHM CC(C)(O)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904197575 635507317 /nfs/dbraw/zinc/50/73/17/635507317.db2.gz HWZAUCJVDJHZDI-UHFFFAOYSA-N -1 3 265.353 2.388 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC000904204489 635512610 /nfs/dbraw/zinc/51/26/10/635512610.db2.gz MKDOYOLFUNSBJI-RYUDHWBXSA-N -1 3 270.373 2.076 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H](C)c1cncnc1 ZINC000904205001 635512620 /nfs/dbraw/zinc/51/26/20/635512620.db2.gz XFCZBSONNNMMLN-NSHDSACASA-N -1 3 251.330 2.378 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000904205495 635513895 /nfs/dbraw/zinc/51/38/95/635513895.db2.gz KHRTZQLGAZDUDF-NSHDSACASA-N -1 3 272.389 2.335 20 30 CEEDHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000824897486 635520671 /nfs/dbraw/zinc/52/06/71/635520671.db2.gz AQBFDCPZFDFZGY-ZJUUUORDSA-N -1 3 296.334 2.113 20 30 CEEDHM C[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000824897486 635520676 /nfs/dbraw/zinc/52/06/76/635520676.db2.gz AQBFDCPZFDFZGY-ZJUUUORDSA-N -1 3 296.334 2.113 20 30 CEEDHM CCCCN([O-])C(=O)C[C@H]1COc2ccccc2O1 ZINC000904214545 635523116 /nfs/dbraw/zinc/52/31/16/635523116.db2.gz COIYBKACFRNCQZ-NSHDSACASA-N -1 3 265.309 2.234 20 30 CEEDHM C=CC1(CC(=O)NCCCc2c[n-][nH]c2=O)CCCCC1 ZINC000825277982 635604795 /nfs/dbraw/zinc/60/47/95/635604795.db2.gz XLHPFOGLSMGIQG-ZDUSSCGKSA-N -1 3 291.395 2.141 20 30 CEEDHM CCN(CCO)N=C(C)c1ccc([O-])cc1Cl ZINC000905485488 636285426 /nfs/dbraw/zinc/28/54/26/636285426.db2.gz XGFMABPVWAWQFB-UHFFFAOYSA-N -1 3 256.733 2.084 20 30 CEEDHM CSCCO[N-]C(=O)/C=C/C(=O)c1ccc(C)cc1 ZINC000907895298 637156350 /nfs/dbraw/zinc/15/63/50/637156350.db2.gz MYLATMYIOCZZSH-BQYQJAHWSA-N -1 3 279.361 2.145 20 30 CEEDHM C=CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000908462087 637352767 /nfs/dbraw/zinc/35/27/67/637352767.db2.gz JMHAQIAGWAZCQS-UHFFFAOYSA-N -1 3 278.736 2.117 20 30 CEEDHM CC1(C#N)CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833551981 637736413 /nfs/dbraw/zinc/73/64/13/637736413.db2.gz XDLAETZUNVGNTL-AWEZNQCLSA-N -1 3 283.331 2.310 20 30 CEEDHM C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C(=O)[O-])cc1F ZINC000835012564 638020366 /nfs/dbraw/zinc/02/03/66/638020366.db2.gz RCOUIERFCRGKBD-SECBINFHSA-N -1 3 291.326 2.406 20 30 CEEDHM C=C(C)CO[N-]C(=O)Cc1c(C)cc(C#N)cc1C ZINC000911901726 638448435 /nfs/dbraw/zinc/44/84/35/638448435.db2.gz MPRBWIXQYFPUNF-UHFFFAOYSA-N -1 3 258.321 2.342 20 30 CEEDHM C=CCO[N-]C(=O)C[C@@H]1CSc2ccccc2O1 ZINC000837045399 639028706 /nfs/dbraw/zinc/02/87/06/639028706.db2.gz UTSCUQFSHLLKRA-SNVBAGLBSA-N -1 3 265.334 2.164 20 30 CEEDHM C=CCO[N-]C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000837046519 639029914 /nfs/dbraw/zinc/02/99/14/639029914.db2.gz MBQUQXBPHXWNQM-CQSZACIVSA-N -1 3 262.353 2.303 20 30 CEEDHM COc1ccccc1CO[N-]C(=O)C#CC(C)(C)C ZINC000837599390 639303058 /nfs/dbraw/zinc/30/30/58/639303058.db2.gz JIURHKZVDGEKED-UHFFFAOYSA-N -1 3 261.321 2.293 20 30 CEEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(F)c2)c1[O-] ZINC000914773796 640468410 /nfs/dbraw/zinc/46/84/10/640468410.db2.gz XMSXXFSNHHTHIK-CAOOACKPSA-N -1 3 274.295 2.346 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N/CC[C@@]1(O)CCCOC1 ZINC000844270530 640649137 /nfs/dbraw/zinc/64/91/37/640649137.db2.gz IOOLBUXZCWLKQS-FSEGOYHTSA-N -1 3 283.755 2.396 20 30 CEEDHM CC[C@]1(C)NC(=O)N(N=Cc2cc(Cl)ccc2[O-])C1=O ZINC000916329371 640755006 /nfs/dbraw/zinc/75/50/06/640755006.db2.gz GJERJCMNWIMJQJ-ZDUSSCGKSA-N -1 3 295.726 2.100 20 30 CEEDHM Cc1nnc(C)n1N=Cc1cc(Cl)ccc1[O-] ZINC000916350583 640757018 /nfs/dbraw/zinc/75/70/18/640757018.db2.gz VCVYDHHZAHCTLH-UHFFFAOYSA-N -1 3 250.689 2.136 20 30 CEEDHM C=C[C@H](C)ON=C([O-])Nc1nc(C(F)(F)F)co1 ZINC000844669861 640799789 /nfs/dbraw/zinc/79/97/89/640799789.db2.gz JUKHFLXDVRTRDY-YFKPBYRVSA-N -1 3 265.191 2.321 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C(F)(F)F)co1 ZINC000844669861 640799790 /nfs/dbraw/zinc/79/97/90/640799790.db2.gz JUKHFLXDVRTRDY-YFKPBYRVSA-N -1 3 265.191 2.321 20 30 CEEDHM CC(C)(C)CC(=O)[N-]OCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844765247 640831806 /nfs/dbraw/zinc/83/18/06/640831806.db2.gz OQWFLWARPXWTSK-UHFFFAOYSA-N -1 3 291.307 2.450 20 30 CEEDHM Fc1cccc2c1CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000921258595 641241893 /nfs/dbraw/zinc/24/18/93/641241893.db2.gz XWWYDGUIGXHNOM-UHFFFAOYSA-N -1 3 282.282 2.254 20 30 CEEDHM [O-]c1ccc(C=NNc2ncnc3nc[nH]c32)cc1Cl ZINC000921258705 641241921 /nfs/dbraw/zinc/24/19/21/641241921.db2.gz ZWROVCMHVHUPRR-UHFFFAOYSA-N -1 3 288.698 2.158 20 30 CEEDHM [O-]c1ccc(C=NNc2ncnc3[nH]cnc32)cc1Cl ZINC000921258705 641241926 /nfs/dbraw/zinc/24/19/26/641241926.db2.gz ZWROVCMHVHUPRR-UHFFFAOYSA-N -1 3 288.698 2.158 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000846547439 641337539 /nfs/dbraw/zinc/33/75/39/641337539.db2.gz AMHHYOZLQKODRW-DZGCQCFKSA-N -1 3 274.364 2.273 20 30 CEEDHM CC1(C)CCC[C@@H](CC(=O)N[C@H]2CCCN([O-])C2=O)C1 ZINC000848134519 641902942 /nfs/dbraw/zinc/90/29/42/641902942.db2.gz ARSHGZCQSVKGSS-RYUDHWBXSA-N -1 3 282.384 2.089 20 30 CEEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000770390412 642155202 /nfs/dbraw/zinc/15/52/02/642155202.db2.gz MNSZVLBWAGAAHK-JTQLQIEISA-N -1 3 287.331 2.353 20 30 CEEDHM N#C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000921549237 642230205 /nfs/dbraw/zinc/23/02/05/642230205.db2.gz FEWQQSFCUKBZIT-ZDUSSCGKSA-N -1 3 276.311 2.272 20 30 CEEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)c2ccccn2)c1[O-] ZINC000849169701 642277028 /nfs/dbraw/zinc/27/70/28/642277028.db2.gz HMMQLDFPSUBCJZ-LBFZPMSMSA-N -1 3 285.347 2.206 20 30 CEEDHM C#CCC1([N-]S(=O)(=O)c2cc(C)cnc2Cl)CCC1 ZINC000922044014 642854346 /nfs/dbraw/zinc/85/43/46/642854346.db2.gz JGGSTODNIPPMGF-UHFFFAOYSA-N -1 3 298.795 2.268 20 30 CEEDHM C#C[C@@H]1CCCC[C@@H]1OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000851531652 643054101 /nfs/dbraw/zinc/05/41/01/643054101.db2.gz JOHHWLVUVQGEJO-OCCSQVGLSA-N -1 3 288.347 2.077 20 30 CEEDHM N#C[C@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923250112 643621508 /nfs/dbraw/zinc/62/15/08/643621508.db2.gz BUSFIZZMLQHNAQ-MFKMUULPSA-N -1 3 291.326 2.413 20 30 CEEDHM N#CCCN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000877747898 650892661 /nfs/dbraw/zinc/89/26/61/650892661.db2.gz ISMLYFDRHVHGCM-UHFFFAOYSA-N -1 3 279.771 2.077 20 30 CEEDHM COC(=O)c1cc(C(=O)O[C@@H]2CCC[C@H](C#N)C2)c[n-]1 ZINC000839061796 644136010 /nfs/dbraw/zinc/13/60/10/644136010.db2.gz HXUGCYKDYSVIBJ-GXSJLCMTSA-N -1 3 276.292 2.040 20 30 CEEDHM Cc1nc2ccccc2c(=O)n1N=Cc1cc(F)ccc1[O-] ZINC000755488790 644523176 /nfs/dbraw/zinc/52/31/76/644523176.db2.gz ZYULFSOJMPGKIJ-UHFFFAOYSA-N -1 3 297.289 2.432 20 30 CEEDHM CC[C@]1(C)NC(=O)N(N=Cc2c([O-])cccc2Cl)C1=O ZINC000755556348 644528914 /nfs/dbraw/zinc/52/89/14/644528914.db2.gz VGNAUOBROVQFCB-ZDUSSCGKSA-N -1 3 295.726 2.100 20 30 CEEDHM Cc1cccc(C)c1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000755662283 644542207 /nfs/dbraw/zinc/54/22/07/644542207.db2.gz ZUGGFSNOOKZFOF-UHFFFAOYSA-N -1 3 266.308 2.416 20 30 CEEDHM Cc1nc(C#N)c(N=NCc2ccc([O-])c(F)c2)o1 ZINC000755660974 644542219 /nfs/dbraw/zinc/54/22/19/644542219.db2.gz KWGVGCIICMMBMU-UHFFFAOYSA-N -1 3 260.228 2.145 20 30 CEEDHM C#Cc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cn1 ZINC000764341593 645629593 /nfs/dbraw/zinc/62/95/93/645629593.db2.gz IISYOIQVEYRRIZ-UHFFFAOYSA-N -1 3 293.286 2.002 20 30 CEEDHM N#CC1([N-]S(=O)(=O)c2cccnc2Cl)CCCCC1 ZINC000766497940 645895560 /nfs/dbraw/zinc/89/55/60/645895560.db2.gz PYTCVMZUYSMXTB-UHFFFAOYSA-N -1 3 299.783 2.240 20 30 CEEDHM C=C(C)CO[N-]C(=O)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000862133358 646348204 /nfs/dbraw/zinc/34/82/04/646348204.db2.gz YSHLUHDPXRFAGL-UHFFFAOYSA-N -1 3 298.383 2.257 20 30 CEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSC ZINC000771577696 646533472 /nfs/dbraw/zinc/53/34/72/646533472.db2.gz FHNBPKMPXWDITR-GQYWMQPJSA-N -1 3 290.344 2.219 20 30 CEEDHM CCC[C@H](C)CCCn1ccc(C=N[O-])nc1=O ZINC000863458100 646730247 /nfs/dbraw/zinc/73/02/47/646730247.db2.gz NTWUYVFGQVIMHB-NSHDSACASA-N -1 3 251.330 2.268 20 30 CEEDHM CCCCCCCNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000863933874 646854984 /nfs/dbraw/zinc/85/49/84/646854984.db2.gz YTGMBNYWDWGUAI-UHFFFAOYSA-N -1 3 292.379 2.209 20 30 CEEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccns2)c1[O-] ZINC000864345806 646973753 /nfs/dbraw/zinc/97/37/53/646973753.db2.gz GOXGBBHKEIQKSH-DZYDPXEMSA-N -1 3 277.349 2.225 20 30 CEEDHM C[C@@H]1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCS1(=O)=O ZINC000864345822 646974451 /nfs/dbraw/zinc/97/44/51/646974451.db2.gz GZTUFDZDQPMITQ-SRNFDWDKSA-N -1 3 287.768 2.040 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCC23CC3)c1[O-] ZINC000864347939 646975168 /nfs/dbraw/zinc/97/51/68/646975168.db2.gz YNSMPSSTOUOCAK-RSQQOUAVSA-N -1 3 260.337 2.340 20 30 CEEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@@H]2F)c1[O-] ZINC000864347500 646975226 /nfs/dbraw/zinc/97/52/26/646975226.db2.gz RTPWHSALCDPCEK-KVMXGYPPSA-N -1 3 266.316 2.288 20 30 CEEDHM COc1cc(C=NNc2ccncc2)cc(Cl)c1[O-] ZINC000779806812 647358167 /nfs/dbraw/zinc/35/81/67/647358167.db2.gz ICRUTGLJAHCHRH-UHFFFAOYSA-N -1 3 277.711 2.317 20 30 CEEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000787842101 648145964 /nfs/dbraw/zinc/14/59/64/648145964.db2.gz FZKDFZDWAVIHSB-AWEZNQCLSA-N -1 3 294.310 2.387 20 30 CEEDHM [O-]c1ccc(C=NN[C@H](CO)c2ccccc2)cc1F ZINC000788467298 648190958 /nfs/dbraw/zinc/19/09/58/648190958.db2.gz JEHBYCUTFCSNFB-CQSZACIVSA-N -1 3 274.295 2.188 20 30 CEEDHM Cn1ccnc1NN=Cc1c([O-])ccc(Cl)c1F ZINC000790299931 648403725 /nfs/dbraw/zinc/40/37/25/648403725.db2.gz MEILTNVTNKKXRO-UHFFFAOYSA-N -1 3 268.679 2.364 20 30 CEEDHM CN(C(=O)c1nnc2ccccc2c1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000870671958 648869646 /nfs/dbraw/zinc/86/96/46/648869646.db2.gz HRYJEIGXWCXULN-ZWNOBZJWSA-N -1 3 296.330 2.100 20 30 CEEDHM Cc1ncc(CO)c(/C=N\Cc2ncc(Cl)s2)c1[O-] ZINC000871596659 649115261 /nfs/dbraw/zinc/11/52/61/649115261.db2.gz ACHIQRCPRCMTCV-BNNQUZSASA-N -1 3 297.767 2.317 20 30 CEEDHM C=C[C@H](C)ON=C([O-])Nc1nnc([C@H]2CCCO2)s1 ZINC000880884265 651540970 /nfs/dbraw/zinc/54/09/70/651540970.db2.gz WFQCMOUXVNIAJC-JGVFFNPUSA-N -1 3 284.341 2.017 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000880884265 651540976 /nfs/dbraw/zinc/54/09/76/651540976.db2.gz WFQCMOUXVNIAJC-JGVFFNPUSA-N -1 3 284.341 2.017 20 30 CEEDHM Cc1cc(C#N)ccc1COC(=O)c1cccc2nn[n-]c21 ZINC000800207932 652686677 /nfs/dbraw/zinc/68/66/77/652686677.db2.gz HBSNZRAARIVZNK-UHFFFAOYSA-N -1 3 292.298 2.495 20 30 CEEDHM Cc1cc(C#N)ccc1COC(=O)c1cccc2[n-]nnc21 ZINC000800207932 652686680 /nfs/dbraw/zinc/68/66/80/652686680.db2.gz HBSNZRAARIVZNK-UHFFFAOYSA-N -1 3 292.298 2.495 20 30 CEEDHM Cc1cc(C#N)ccc1COC(=O)c1cccc2n[n-]nc21 ZINC000800207932 652686682 /nfs/dbraw/zinc/68/66/82/652686682.db2.gz HBSNZRAARIVZNK-UHFFFAOYSA-N -1 3 292.298 2.495 20 30 CEEDHM COC(=O)C1(C/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000588516519 803135161 /nfs/dbraw/zinc/13/51/61/803135161.db2.gz CGMVZIXQRGLGTK-CHHVJCJISA-N -1 3 267.712 2.418 20 30 CEEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccnc1Cl ZINC000393817024 803566937 /nfs/dbraw/zinc/56/69/37/803566937.db2.gz DMRNOALVGNREHW-VIFPVBQESA-N -1 3 274.773 2.368 20 30 CEEDHM C=CCC[C@H](C)N1CC(NC(=O)c2ccccc2[O-])C1 ZINC001267636646 803635343 /nfs/dbraw/zinc/63/53/43/803635343.db2.gz LGAQDGSXJMFYRZ-LBPRGKRZSA-N -1 3 274.364 2.161 20 30 CEEDHM N#Cc1ccnc([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168478948 807710277 /nfs/dbraw/zinc/71/02/77/807710277.db2.gz QXQBEBXHQGLYJK-JTQLQIEISA-N -1 3 279.225 2.459 20 30 CEEDHM C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC001032287263 808391159 /nfs/dbraw/zinc/39/11/59/808391159.db2.gz BEIXWLHNXVDUSI-RYUDHWBXSA-N -1 3 292.766 2.043 20 30 CEEDHM C=C(Cl)CN1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001085489484 810787613 /nfs/dbraw/zinc/78/76/13/810787613.db2.gz ZWMPJHUQXVUARZ-LBPRGKRZSA-N -1 3 294.782 2.291 20 30 CEEDHM C#C[C@@](C)(CC)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001169700439 811630596 /nfs/dbraw/zinc/63/05/96/811630596.db2.gz OAAMSOGNNHNHOW-AWEZNQCLSA-N -1 3 255.325 2.389 20 30 CEEDHM C#C[C@@](C)(CC)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001169700439 811630600 /nfs/dbraw/zinc/63/06/00/811630600.db2.gz OAAMSOGNNHNHOW-AWEZNQCLSA-N -1 3 255.325 2.389 20 30 CEEDHM N#CC1(c2ccnc(NCc3ncccc3[O-])c2)CC1 ZINC001169731852 811648991 /nfs/dbraw/zinc/64/89/91/811648991.db2.gz 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SJTDGTZNONOXLL-UHFFFAOYSA-N -1 3 276.340 2.229 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000904206855 635497519 /nfs/dbraw/zinc/49/75/19/635497519.db2.gz LGFQHDKRIDHXRC-QWHCGFSZSA-N -1 3 265.357 2.322 20 30 CEEDHM CCCCN([O-])C(=O)CCCNC(=O)OC(C)(C)C ZINC000904207857 635498587 /nfs/dbraw/zinc/49/85/87/635498587.db2.gz FKGAMYLCBAQBRO-UHFFFAOYSA-N -1 3 274.361 2.309 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000904208799 635499449 /nfs/dbraw/zinc/49/94/49/635499449.db2.gz KWTSRZCXBGOVAA-SNVBAGLBSA-N -1 3 282.306 2.279 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000904209981 635500733 /nfs/dbraw/zinc/50/07/33/635500733.db2.gz CNLZKCOVGRGLCD-JTQLQIEISA-N -1 3 267.373 2.233 20 30 CEEDHM CCCCCCN([O-])C(=O)c1cc(OC(F)F)n(C)n1 ZINC000904204559 635512120 /nfs/dbraw/zinc/51/21/20/635512120.db2.gz OONNTZKKGVEJEL-UHFFFAOYSA-N -1 3 291.298 2.433 20 30 CEEDHM CCCCCCN([O-])C(=O)[C@H]1CCn2ccnc2C1 ZINC000904204908 635512600 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641331280 /nfs/dbraw/zinc/33/12/80/641331280.db2.gz FNQIHBHIFWQJEA-UHFFFAOYSA-N -1 3 259.309 2.119 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(OC)cc1 ZINC000846541859 641332333 /nfs/dbraw/zinc/33/23/33/641332333.db2.gz OJPCMZMEPAMZJM-LLVKDONJSA-N -1 3 265.309 2.086 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)CCC(C)(C)C(=O)NO[C@@H](C)C=C ZINC000846548264 641337212 /nfs/dbraw/zinc/33/72/12/641337212.db2.gz SPSKCQBBAFFPHB-RYUDHWBXSA-N -1 3 298.383 2.037 20 30 CEEDHM CCCCC[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)C(C)C ZINC000848136949 641904045 /nfs/dbraw/zinc/90/40/45/641904045.db2.gz VABSVMFWNYKGIN-OLZOCXBDSA-N -1 3 284.400 2.335 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CC2(C#N)CCCCC2)c1[O-] ZINC000849171712 642277902 /nfs/dbraw/zinc/27/79/02/642277902.db2.gz FCPNNLPTFBHRAO-LSCVHKIXSA-N -1 3 287.363 2.481 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CC[C@]2(C)CC2(F)F)c1[O-] ZINC000849171833 642278406 /nfs/dbraw/zinc/27/84/06/642278406.db2.gz GWRKPWYSEKKHNT-URSXVQGUSA-N -1 3 284.306 2.442 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CCC(C)(C)F)c1[O-] ZINC000849172725 642279216 /nfs/dbraw/zinc/27/92/16/642279216.db2.gz YSYIMFRDLORBSM-CHHVJCJISA-N -1 3 254.305 2.145 20 30 CEEDHM Cc1ccc([O-])c(CN[C@@H](CC#N)C(F)(F)F)n1 ZINC000922647498 643177455 /nfs/dbraw/zinc/17/74/55/643177455.db2.gz ULNKSKHGVXWSDR-JTQLQIEISA-N -1 3 259.231 2.030 20 30 CEEDHM CO[C@@H](C/N=C\c1c([O-])c(C)ncc1CO)C1CCCC1 ZINC000852998525 643613959 /nfs/dbraw/zinc/61/39/59/643613959.db2.gz NQSOLMFNPDLCIS-QTISIFFUSA-N -1 3 292.379 2.212 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C=CCC1 ZINC000855422603 644342194 /nfs/dbraw/zinc/34/21/94/644342194.db2.gz ZCRHAJQZWFPBNY-GFCCVEGCSA-N -1 3 285.347 2.043 20 30 CEEDHM C#CCO[N-]C(=O)/C=C\c1cnc(C(C)(C)C)s1 ZINC000855606621 644408058 /nfs/dbraw/zinc/40/80/58/644408058.db2.gz LSDNQTORZQQWRQ-SREVYHEPSA-N -1 3 264.350 2.135 20 30 CEEDHM Cc1nnc(C)n1N=Cc1c([O-])cccc1Cl ZINC000755565389 644529958 /nfs/dbraw/zinc/52/99/58/644529958.db2.gz HGKPIHRXJVZDNP-UHFFFAOYSA-N -1 3 250.689 2.136 20 30 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273.311 2.483 20 30 CEEDHM O=C1CCN1c1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000790598395 648433976 /nfs/dbraw/zinc/43/39/76/648433976.db2.gz LFIPAUKURXTOAD-UHFFFAOYSA-N -1 3 298.298 2.291 20 30 CEEDHM C[C@H](CC(=O)[N-]Oc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000870689763 648879025 /nfs/dbraw/zinc/87/90/25/648879025.db2.gz BDBLVGATXDMSOF-RISCZKNCSA-N -1 3 274.320 2.173 20 30 CEEDHM CC(=NOC[C@@H]1CCOC1)c1cccc([O-])c1F ZINC000872368864 649369724 /nfs/dbraw/zinc/36/97/24/649369724.db2.gz RWJOUVGTUXILGR-SNVBAGLBSA-N -1 3 253.273 2.308 20 30 CEEDHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C)o2)CC1 ZINC000872671725 649453660 /nfs/dbraw/zinc/45/36/60/649453660.db2.gz WXYXRYLRWBEARN-HAQNSBGRSA-N -1 3 267.350 2.058 20 30 CEEDHM C[C@@H](C#N)C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000874452488 649776969 /nfs/dbraw/zinc/77/69/69/649776969.db2.gz KRXBNRSETGOBFE-ZETCQYMHSA-N -1 3 274.217 2.332 20 30 CEEDHM C=CCN(CCOC)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878503135 651114950 /nfs/dbraw/zinc/11/49/50/651114950.db2.gz 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/nfs/dbraw/zinc/75/74/01/574757401.db2.gz JZQRCXVHLKZDIY-UHFFFAOYSA-N -1 3 276.271 2.015 20 30 CEEDHM C=CCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000735408361 574757402 /nfs/dbraw/zinc/75/74/02/574757402.db2.gz JZQRCXVHLKZDIY-UHFFFAOYSA-N -1 3 276.271 2.015 20 30 CEEDHM C[C@H](C#N)CN(C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735506976 574760283 /nfs/dbraw/zinc/76/02/83/574760283.db2.gz YRDPLPYXDITSQD-MNOVXSKESA-N -1 3 270.340 2.019 20 30 CEEDHM C[C@H](C#N)CN(C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735506976 574760285 /nfs/dbraw/zinc/76/02/85/574760285.db2.gz YRDPLPYXDITSQD-MNOVXSKESA-N -1 3 270.340 2.019 20 30 CEEDHM COc1cccc([O-])c1/C=N/CC1(O)Cc2ccccc2C1 ZINC000737444451 574834550 /nfs/dbraw/zinc/83/45/50/574834550.db2.gz RKAWWMJPNKUJPT-YBFXNURJSA-N -1 3 297.354 2.350 20 30 CEEDHM [O-]c1ccccc1/C=N\[C@@H]1CCN(CC(F)(F)F)C1 ZINC000747033349 575166450 /nfs/dbraw/zinc/16/64/50/575166450.db2.gz QGMMMHLAEDYAJU-OWHAOFTHSA-N -1 3 272.270 2.448 20 30 CEEDHM Cc1nc(Cl)sc1C(=O)[N-]c1ccncc1C#N 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C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000825265497 604235061 /nfs/dbraw/zinc/23/50/61/604235061.db2.gz SQABTGINDVHDIU-WFASDCNBSA-N -1 3 287.363 2.426 20 30 CEEDHM CC1=C(C(=O)[O-])C[C@@H](CN(C)Cc2cccc(C#N)c2)O1 ZINC000833578279 604823332 /nfs/dbraw/zinc/82/33/32/604823332.db2.gz UURKNEWNNWWROF-AWEZNQCLSA-N -1 3 286.331 2.138 20 30 CEEDHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(C#N)cc1 ZINC000827717869 604990876 /nfs/dbraw/zinc/99/08/76/604990876.db2.gz MCSPJJSBFRLQOC-NHYWBVRUSA-N -1 3 281.315 2.430 20 30 CEEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(C#N)cc1 ZINC000827717870 604990965 /nfs/dbraw/zinc/99/09/65/604990965.db2.gz MCSPJJSBFRLQOC-XHDPSFHLSA-N -1 3 281.315 2.430 20 30 CEEDHM N#Cc1ccccc1CN[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000833975598 606075099 /nfs/dbraw/zinc/07/50/99/606075099.db2.gz DCJWNFYDYWTUQB-ZIAGYGMSSA-N -1 3 273.336 2.084 20 30 CEEDHM C(=NNc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000819718216 606201567 /nfs/dbraw/zinc/20/15/67/606201567.db2.gz BBWYOVWWRLNOSM-UHFFFAOYSA-N -1 3 270.321 2.374 20 30 CEEDHM C(=NNc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000819718216 606201569 /nfs/dbraw/zinc/20/15/69/606201569.db2.gz BBWYOVWWRLNOSM-UHFFFAOYSA-N -1 3 270.321 2.374 20 30 CEEDHM N#Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822832736 606460533 /nfs/dbraw/zinc/46/05/33/606460533.db2.gz FPQXHTUZXIFKMF-UHFFFAOYSA-N -1 3 297.299 2.019 20 30 CEEDHM N#Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822832736 606460534 /nfs/dbraw/zinc/46/05/34/606460534.db2.gz FPQXHTUZXIFKMF-UHFFFAOYSA-N -1 3 297.299 2.019 20 30 CEEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822830107 606477464 /nfs/dbraw/zinc/47/74/64/606477464.db2.gz UYBKTSCUMQBRDB-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822830107 606477466 /nfs/dbraw/zinc/47/74/66/606477466.db2.gz UYBKTSCUMQBRDB-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822842510 606477552 /nfs/dbraw/zinc/47/75/52/606477552.db2.gz LSDBHERLKYYBRZ-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822842510 606477553 /nfs/dbraw/zinc/47/75/53/606477553.db2.gz LSDBHERLKYYBRZ-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(C)(C)C#N ZINC000826251374 607807198 /nfs/dbraw/zinc/80/71/98/607807198.db2.gz NSLQRIQCVQRXOI-JTQLQIEISA-N -1 3 299.334 2.270 20 30 CEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(C)(C)C#N ZINC000826251374 607807199 /nfs/dbraw/zinc/80/71/99/607807199.db2.gz NSLQRIQCVQRXOI-JTQLQIEISA-N -1 3 299.334 2.270 20 30 CEEDHM C=CCCOCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC000823898847 607934838 /nfs/dbraw/zinc/93/48/38/607934838.db2.gz DPNKYCLFFQXQDL-UHFFFAOYSA-N -1 3 277.303 2.010 20 30 CEEDHM C=CCCOCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC000823898847 607934839 /nfs/dbraw/zinc/93/48/39/607934839.db2.gz DPNKYCLFFQXQDL-UHFFFAOYSA-N -1 3 277.303 2.010 20 30 CEEDHM Cc1cn(Cc2ccc(CC#N)cc2)cc1-c1nnn[n-]1 ZINC000826316861 609503004 /nfs/dbraw/zinc/50/30/04/609503004.db2.gz BOMMRQHYYHXHOG-UHFFFAOYSA-N -1 3 278.319 2.091 20 30 CEEDHM Cc1cn(Cc2ccc(CC#N)cc2)cc1-c1nn[n-]n1 ZINC000826316861 609503007 /nfs/dbraw/zinc/50/30/07/609503007.db2.gz BOMMRQHYYHXHOG-UHFFFAOYSA-N -1 3 278.319 2.091 20 30 CEEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000823958456 609516098 /nfs/dbraw/zinc/51/60/98/609516098.db2.gz NQTJBRFHVVWUMA-LBPRGKRZSA-N -1 3 286.339 2.081 20 30 CEEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000823958456 609516099 /nfs/dbraw/zinc/51/60/99/609516099.db2.gz NQTJBRFHVVWUMA-LBPRGKRZSA-N -1 3 286.339 2.081 20 30 CEEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccco1 ZINC000255739569 625444200 /nfs/dbraw/zinc/44/42/00/625444200.db2.gz DTYNYDADEZIVQU-DGMVEKRQSA-N -1 3 281.271 2.035 20 30 CEEDHM CCSCC(=NN=c1cc[n-]n1C)c1ccccc1 ZINC000807985836 623255838 /nfs/dbraw/zinc/25/58/38/623255838.db2.gz OHDYXPMAMGTAFO-UHFFFAOYSA-N -1 3 274.393 2.411 20 30 CEEDHM CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820476408 634422239 /nfs/dbraw/zinc/42/22/39/634422239.db2.gz LQPHKTHROKTCKH-VXGBXAGGSA-N -1 3 282.384 2.089 20 30 CEEDHM CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820475985 634422973 /nfs/dbraw/zinc/42/29/73/634422973.db2.gz DZJZIKYIPJSHIT-CHWSQXEVSA-N -1 3 282.384 2.089 20 30 CEEDHM COc1cc(C(=O)/C=C/c2ccc(N)nc2)ccc1[O-] ZINC000821031830 634608930 /nfs/dbraw/zinc/60/89/30/634608930.db2.gz NYDXHLQRYINXNW-GORDUTHDSA-N -1 3 270.288 2.274 20 30 CEEDHM C=CCn1cc(CN[C@H](C)CCCC(C)(C)C(=O)[O-])nn1 ZINC000902465547 634683293 /nfs/dbraw/zinc/68/32/93/634683293.db2.gz FEUAETXQPIAYMQ-GFCCVEGCSA-N -1 3 294.399 2.223 20 30 CEEDHM [O-]c1c(C=NN2CCOCC2)ccc2ccccc21 ZINC000814696507 629223358 /nfs/dbraw/zinc/22/33/58/629223358.db2.gz PKJTVULAKPVATE-UHFFFAOYSA-N -1 3 256.305 2.212 20 30 CEEDHM C=CCCC[C@H](NC(=O)c1ccccc1[O-])C(=O)OC ZINC000928314110 629379008 /nfs/dbraw/zinc/37/90/08/629379008.db2.gz GESAEYWPJKTOQT-LBPRGKRZSA-N -1 3 277.320 2.020 20 30 CEEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000796098033 629770690 /nfs/dbraw/zinc/77/06/90/629770690.db2.gz QXBDDWFSKXUFLS-CQSZACIVSA-N -1 3 289.356 2.193 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000904210721 635502049 /nfs/dbraw/zinc/50/20/49/635502049.db2.gz ZDHFSUVHSORXDS-CHWSQXEVSA-N -1 3 284.400 2.289 20 30 CEEDHM Cc1cc(=O)[n-]c(CSCc2ccc(C#N)o2)n1 ZINC000871700834 631201650 /nfs/dbraw/zinc/20/16/50/631201650.db2.gz SRKBKCLXHFTYNN-UHFFFAOYSA-N -1 3 261.306 2.389 20 30 CEEDHM C#C[C@H]([N-]c1nc(C(F)(F)F)ns1)[C@@H]1CCCO1 ZINC000804621928 631714984 /nfs/dbraw/zinc/71/49/84/631714984.db2.gz LEPWEMFIXZUGMU-BQBZGAKWSA-N -1 3 277.271 2.150 20 30 CEEDHM [O-]c1cccc(Cl)c1C=NN[C@@H]1CCSC1 ZINC000808003211 631904159 /nfs/dbraw/zinc/90/41/59/631904159.db2.gz LJAWIDHXGMSLCB-MRVPVSSYSA-N -1 3 256.758 2.475 20 30 CEEDHM C=CCCC(=O)COC(=O)c1n[n-]c2c1cccc2OC ZINC000808673892 631998544 /nfs/dbraw/zinc/99/85/44/631998544.db2.gz KLIJBFJGGYHLCY-UHFFFAOYSA-N -1 3 288.303 2.264 20 30 CEEDHM C=CCCC(=O)COC(=O)c1[n-]nc2c1cccc2OC ZINC000808673892 631998545 /nfs/dbraw/zinc/99/85/45/631998545.db2.gz KLIJBFJGGYHLCY-UHFFFAOYSA-N -1 3 288.303 2.264 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)OCc2ncc(C3CC3)o2)c1 ZINC000811184570 632353856 /nfs/dbraw/zinc/35/38/56/632353856.db2.gz AFLIQEJYXPBYRD-UHFFFAOYSA-N -1 3 284.271 2.486 20 30 CEEDHM COc1cc(C=NOCCOC(C)C)c([N+](=O)[O-])cc1[O-] ZINC000812240973 632499199 /nfs/dbraw/zinc/49/91/99/632499199.db2.gz YUAXGJWTSMJYTI-UHFFFAOYSA-N -1 3 298.295 2.085 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)C2CC2)c1[O-] ZINC000899230810 632745919 /nfs/dbraw/zinc/74/59/19/632745919.db2.gz KXFVOVHFZXNREO-APSNUPSMSA-N -1 3 262.353 2.443 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cnc2n1CCOC2 ZINC000899233115 632748397 /nfs/dbraw/zinc/74/83/97/632748397.db2.gz BLMIROHNLJSVNH-SOFYXZRVSA-N -1 3 291.738 2.391 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CCC2CC=CC2)c1[O-] ZINC000899226116 632752467 /nfs/dbraw/zinc/75/24/67/632752467.db2.gz LDQSKDRAIFXOMK-SXGWCWSVSA-N -1 3 260.337 2.363 20 30 CEEDHM Cn1cc(C=NNc2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000814222734 632814404 /nfs/dbraw/zinc/81/44/04/632814404.db2.gz TZOFBITZLAVLGU-UHFFFAOYSA-N -1 3 268.679 2.364 20 30 CEEDHM Cn1cc(C=NNc2ccc(C#N)c(Cl)c2)c(=O)[n-]1 ZINC000814226394 632814518 /nfs/dbraw/zinc/81/45/18/632814518.db2.gz ARZWNKYBXSIITR-UHFFFAOYSA-N -1 3 275.699 2.097 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-]Cc1nccn1C(F)F ZINC000815134417 632968255 /nfs/dbraw/zinc/96/82/55/632968255.db2.gz WTUGGTJXAOLYFK-UHFFFAOYSA-N -1 3 265.210 2.106 20 30 CEEDHM CCCCN([O-])C(=O)COc1ccc(F)c(F)c1 ZINC000900683397 633806135 /nfs/dbraw/zinc/80/61/35/633806135.db2.gz WTIKHZVPUWCHFY-UHFFFAOYSA-N -1 3 259.252 2.362 20 30 CEEDHM CCOC([O-])=NOCCCOc1ccc(C#N)cc1 ZINC000818106395 633868988 /nfs/dbraw/zinc/86/89/88/633868988.db2.gz CKDSHJJIEIHXAK-UHFFFAOYSA-N -1 3 264.281 2.005 20 30 CEEDHM CCOC(=O)[N-]OCCCOc1ccc(C#N)cc1 ZINC000818106395 633868993 /nfs/dbraw/zinc/86/89/93/633868993.db2.gz CKDSHJJIEIHXAK-UHFFFAOYSA-N -1 3 264.281 2.005 20 30 CEEDHM C=CCn1cc(CN[C@H](C)c2ccc(F)cc2[O-])nn1 ZINC000818347889 633915485 /nfs/dbraw/zinc/91/54/85/633915485.db2.gz WNLQUJZFYASXOX-SNVBAGLBSA-N -1 3 276.315 2.160 20 30 CEEDHM CCOCCOCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901371976 634075789 /nfs/dbraw/zinc/07/57/89/634075789.db2.gz LMXGLZKGZAZXBF-UHFFFAOYSA-N -1 3 299.342 2.377 20 30 CEEDHM C=CCN(CC(=O)[O-])Cc1cncc(Br)c1C ZINC000901585772 634202550 /nfs/dbraw/zinc/20/25/50/634202550.db2.gz ICBPMFNZHXOCOK-UHFFFAOYSA-N -1 3 299.168 2.225 20 30 CEEDHM C=C(Cl)CN(C#N)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819722214 634244080 /nfs/dbraw/zinc/24/40/80/634244080.db2.gz CQNYTOGBJWCFRM-UHFFFAOYSA-N -1 3 278.678 2.046 20 30 CEEDHM C=C(Cl)CN(C#N)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819722214 634244083 /nfs/dbraw/zinc/24/40/83/634244083.db2.gz CQNYTOGBJWCFRM-UHFFFAOYSA-N -1 3 278.678 2.046 20 30 CEEDHM C=C(Cl)C[C@H](NCc1cc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000901941000 634367319 /nfs/dbraw/zinc/36/73/19/634367319.db2.gz QMZOWCKVXYOGOQ-ZETCQYMHSA-N -1 3 297.664 2.114 20 30 CEEDHM C=C(Cl)C[C@@H](NCc1nn(C)c2ccccc12)C(=O)[O-] ZINC000901941605 634367992 /nfs/dbraw/zinc/36/79/92/634367992.db2.gz XSFMCODYHYGPOR-LLVKDONJSA-N -1 3 293.754 2.259 20 30 CEEDHM C=C[C@H](CC)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823883486 635300163 /nfs/dbraw/zinc/30/01/63/635300163.db2.gz QZSRMMADCRZHAO-CYBMUJFWSA-N -1 3 286.335 2.307 20 30 CEEDHM C=C[C@H](CC)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823883486 635300167 /nfs/dbraw/zinc/30/01/67/635300167.db2.gz QZSRMMADCRZHAO-CYBMUJFWSA-N -1 3 286.335 2.307 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823894233 635302981 /nfs/dbraw/zinc/30/29/81/635302981.db2.gz LEBNZFVJBMANOD-SECBINFHSA-N -1 3 291.380 2.403 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823894233 635302988 /nfs/dbraw/zinc/30/29/88/635302988.db2.gz LEBNZFVJBMANOD-SECBINFHSA-N -1 3 291.380 2.403 20 30 CEEDHM C=C(C)CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903926407 635354424 /nfs/dbraw/zinc/35/44/24/635354424.db2.gz CGDCRNBKRYRUSY-SECBINFHSA-N 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C=CCCS(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187715928 260163244 /nfs/dbraw/zinc/16/32/44/260163244.db2.gz HNGZXVXUDUTSPI-JTQLQIEISA-N -1 3 269.370 2.172 20 30 CEEDHM CC(C)CCn1cc(C([O-])=C(C#N)c2ccccn2)nn1 ZINC000158692232 260901809 /nfs/dbraw/zinc/90/18/09/260901809.db2.gz YFDNSQGTGCKSOL-GFCCVEGCSA-N -1 3 283.335 2.209 20 30 CEEDHM C=C(C)C(C)(C)C(=O)N=c1[nH][n-]cc1Br ZINC000335074284 261834112 /nfs/dbraw/zinc/83/41/12/261834112.db2.gz AYHLAJPFGMYNCG-UHFFFAOYSA-N -1 3 272.146 2.135 20 30 CEEDHM Cc1cc(NC([O-])=NOC2CCCC2)nn1CCC#N ZINC000272166701 263002561 /nfs/dbraw/zinc/00/25/61/263002561.db2.gz ZPTIUHSZCILIAS-UHFFFAOYSA-N -1 3 277.328 2.101 20 30 CEEDHM Cc1cc(NC(=O)[N-]OC2CCCC2)nn1CCC#N ZINC000272166701 263002562 /nfs/dbraw/zinc/00/25/62/263002562.db2.gz ZPTIUHSZCILIAS-UHFFFAOYSA-N -1 3 277.328 2.101 20 30 CEEDHM Cc1cc(NC(=O)c2ccc([O-])c(C)c2)nn1CCC#N ZINC000272560374 263006898 /nfs/dbraw/zinc/00/68/98/263006898.db2.gz BVAVGDALUHHMNN-UHFFFAOYSA-N -1 3 284.319 2.372 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000273331068 263015542 /nfs/dbraw/zinc/01/55/42/263015542.db2.gz JLHNLMPEOSIALQ-LSHCIZBJSA-N -1 3 292.379 2.212 20 30 CEEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c(F)c1 ZINC000278481505 263048348 /nfs/dbraw/zinc/04/83/48/263048348.db2.gz JJCLBOWOWODCKS-ZDUSSCGKSA-N -1 3 298.383 2.492 20 30 CEEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccoc2)C1 ZINC000285139505 263090431 /nfs/dbraw/zinc/09/04/31/263090431.db2.gz QTAMAANOXMAOIY-PWSUYJOCSA-N -1 3 268.338 2.030 20 30 CEEDHM C#C[C@H](/N=C/c1c([O-])c(C)ncc1CO)C(C)(C)C ZINC000287222049 263101386 /nfs/dbraw/zinc/10/13/86/263101386.db2.gz NHAJTQJUMJORAR-TVYFDWKESA-N -1 3 260.337 2.055 20 30 CEEDHM C#C[C@H]1CC[C@H](NC(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000874862998 649858334 /nfs/dbraw/zinc/85/83/34/649858334.db2.gz CHGHCAUYXOXEFA-HAQNSBGRSA-N -1 3 295.342 2.257 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@]2(C)CCOC2)cc1[O-] ZINC000331232194 264153293 /nfs/dbraw/zinc/15/32/93/264153293.db2.gz IYMCBORFUJYJKH-CQSZACIVSA-N -1 3 263.293 2.078 20 30 CEEDHM CCN1CCC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000331235855 264174368 /nfs/dbraw/zinc/17/43/68/264174368.db2.gz LIUXLJQETPGJFK-LBPRGKRZSA-N -1 3 276.336 2.016 20 30 CEEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1[O-] ZINC000331247348 264179096 /nfs/dbraw/zinc/17/90/96/264179096.db2.gz VTDONNDXMZZNLL-GXTWGEPZSA-N -1 3 291.347 2.451 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1[O-] ZINC000331246305 264179612 /nfs/dbraw/zinc/17/96/12/264179612.db2.gz UUNVWJBAELKTFA-CHWSQXEVSA-N -1 3 277.320 2.203 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1[O-] ZINC000331250361 264181159 /nfs/dbraw/zinc/18/11/59/264181159.db2.gz YOPNPTDIPBSGOI-YMTOWFKASA-N -1 3 277.320 2.467 20 30 CEEDHM CN(CC#N)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189209153 264277563 /nfs/dbraw/zinc/27/75/63/264277563.db2.gz IYBIPIOQWBUGHD-UHFFFAOYSA-N -1 3 294.310 2.219 20 30 CEEDHM C=C[C@H](C)Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000129293705 264315701 /nfs/dbraw/zinc/31/57/01/264315701.db2.gz UAAUTPMBVPAQFB-JTQLQIEISA-N -1 3 270.336 2.381 20 30 CEEDHM C=C(CC)CSc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000358565795 266477281 /nfs/dbraw/zinc/47/72/81/266477281.db2.gz VKEMRWIHHVHCCR-UHFFFAOYSA-N -1 3 268.338 2.336 20 30 CEEDHM C=C(C)COCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000362913303 267060499 /nfs/dbraw/zinc/06/04/99/267060499.db2.gz MHUQEEGDDYXGSF-UHFFFAOYSA-N -1 3 263.337 2.277 20 30 CEEDHM [O-]c1ccccc1/C=N/C1CCN(c2cccnn2)CC1 ZINC000277348173 328221215 /nfs/dbraw/zinc/22/12/15/328221215.db2.gz LVTHCTDWEQVHOA-SFQUDFHCSA-N -1 3 282.347 2.270 20 30 CEEDHM CO[C@@](C)(C/N=C/c1ccc(O)c([O-])c1O)C1CC1 ZINC000291032567 328261981 /nfs/dbraw/zinc/26/19/81/328261981.db2.gz XHZYBPYSALDBER-UUINEXAVSA-N -1 3 265.309 2.037 20 30 CEEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000451801816 331042694 /nfs/dbraw/zinc/04/26/94/331042694.db2.gz JNAHVWGWPPQJFM-UHFFFAOYSA-N -1 3 261.293 2.209 20 30 CEEDHM C=CCCCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000175335275 329164926 /nfs/dbraw/zinc/16/49/26/329164926.db2.gz CCIIQRNETBXQMA-UHFFFAOYSA-N -1 3 257.297 2.162 20 30 CEEDHM C=CCCCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000175335275 329164928 /nfs/dbraw/zinc/16/49/28/329164928.db2.gz CCIIQRNETBXQMA-UHFFFAOYSA-N -1 3 257.297 2.162 20 30 CEEDHM C=CCCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000175335275 329164930 /nfs/dbraw/zinc/16/49/30/329164930.db2.gz CCIIQRNETBXQMA-UHFFFAOYSA-N -1 3 257.297 2.162 20 30 CEEDHM N#CCCC1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000399304346 329450418 /nfs/dbraw/zinc/45/04/18/329450418.db2.gz OLXRHYIYZSEEAP-UHFFFAOYSA-N -1 3 274.320 2.254 20 30 CEEDHM C=CCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000572371092 330014473 /nfs/dbraw/zinc/01/44/73/330014473.db2.gz NAJZXLUECFRLMP-UHFFFAOYSA-N -1 3 255.264 2.428 20 30 CEEDHM C=CCCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000287269680 330063441 /nfs/dbraw/zinc/06/34/41/330063441.db2.gz IEAASTOYCYXADN-UHFFFAOYSA-N -1 3 278.736 2.119 20 30 CEEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C(F)F)n1 ZINC000533179958 330352046 /nfs/dbraw/zinc/35/20/46/330352046.db2.gz PKKCXSKWGDMIJZ-QMMMGPOBSA-N -1 3 276.246 2.243 20 30 CEEDHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000450994213 331010917 /nfs/dbraw/zinc/01/09/17/331010917.db2.gz BSRDCWHUXMWGGF-CQSZACIVSA-N -1 3 280.393 2.271 20 30 CEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000451392984 331027225 /nfs/dbraw/zinc/02/72/25/331027225.db2.gz NMUYFKMCXVPAOP-MLGOLLRUSA-N -1 3 293.338 2.171 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000452047535 331052184 /nfs/dbraw/zinc/05/21/84/331052184.db2.gz YYKOLZIZTQNVPO-UHFFFAOYSA-N -1 3 261.293 2.209 20 30 CEEDHM Cc1cccc2c1[n-]cc(C(=O)N(C)CC(C)(C)C#N)c2=O ZINC000452149535 331056130 /nfs/dbraw/zinc/05/61/30/331056130.db2.gz UMJYJPOISXNVBX-UHFFFAOYSA-N -1 3 297.358 2.458 20 30 CEEDHM C=CC(C)(C)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000452781284 331077648 /nfs/dbraw/zinc/07/76/48/331077648.db2.gz HIRVHXUIQBKUME-UHFFFAOYSA-N -1 3 251.301 2.402 20 30 CEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc([O-])c(CC)c1 ZINC000456262059 331187868 /nfs/dbraw/zinc/18/78/68/331187868.db2.gz KKJSLHGHIBEAJE-HIFRSBDPSA-N -1 3 275.348 2.418 20 30 CEEDHM C#CCN(C(=O)c1csc(=O)[n-]1)C1CCCCC1 ZINC000490738654 332109686 /nfs/dbraw/zinc/10/96/86/332109686.db2.gz BUAIWFLPQCXLCE-UHFFFAOYSA-N -1 3 264.350 2.257 20 30 CEEDHM C=C(C)CO[N-]C(=O)/C=C\c1cc(OC)ccc1OC ZINC000493203784 332430505 /nfs/dbraw/zinc/43/05/05/332430505.db2.gz SLRKTAVNKDLAPH-YVMONPNESA-N -1 3 277.320 2.341 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000404965165 333038093 /nfs/dbraw/zinc/03/80/93/333038093.db2.gz RRMQRUOWWVQTOX-UHFFFAOYSA-N -1 3 257.330 2.379 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc([O-])c(CC)c1 ZINC000576100789 335153648 /nfs/dbraw/zinc/15/36/48/335153648.db2.gz DDYLFMHDDXCWKK-ZFWWWQNUSA-N -1 3 275.348 2.276 20 30 CEEDHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172675203 534713010 /nfs/dbraw/zinc/71/30/10/534713010.db2.gz FNCMQCDQMSLUNT-UHFFFAOYSA-N -1 3 287.344 2.371 20 30 CEEDHM O=C(CCC1CCOCC1)NCc1ncccc1[O-] ZINC000329938858 534766542 /nfs/dbraw/zinc/76/65/42/534766542.db2.gz SSEGVPUVCXSJEA-UHFFFAOYSA-N -1 3 264.325 2.451 20 30 CEEDHM C=CCC(C)(C)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000352535371 527002738 /nfs/dbraw/zinc/00/27/38/527002738.db2.gz PVLPFGVFSAHRFJ-UHFFFAOYSA-N -1 3 277.368 2.060 20 30 CEEDHM CC(C)CC[C@](C)(NCc1cccc(C#N)n1)C(=O)[O-] ZINC000417537530 527860578 /nfs/dbraw/zinc/86/05/78/527860578.db2.gz SNEGPFTXUWILAE-HNNXBMFYSA-N -1 3 275.352 2.322 20 30 CEEDHM CC(C)n1cnc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1 ZINC000345028631 528616010 /nfs/dbraw/zinc/61/60/10/528616010.db2.gz CGACWMDQGMMZBE-UHFFFAOYSA-N -1 3 298.412 2.072 20 30 CEEDHM CCN(C[C@@H](C)C#N)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000347039026 528632197 /nfs/dbraw/zinc/63/21/97/528632197.db2.gz HUTOWFXIRCMMJA-LBPRGKRZSA-N -1 3 297.358 2.458 20 30 CEEDHM CC1(C)CCC(NCc2cccc(C#N)n2)(C(=O)[O-])CC1 ZINC000417577774 528907698 /nfs/dbraw/zinc/90/76/98/528907698.db2.gz KDMMGKBVLMEKDS-UHFFFAOYSA-N -1 3 287.363 2.466 20 30 CEEDHM N#Cc1ccc(C(=O)Oc2ccc3c(c2)OCCCO3)[n-]1 ZINC000752492761 574477499 /nfs/dbraw/zinc/47/74/99/574477499.db2.gz IWLQJGPOHUIHMY-UHFFFAOYSA-N -1 3 284.271 2.267 20 30 CEEDHM [O-]c1cccc(C=Nn2cc(Br)cn2)c1 ZINC000752742229 574480001 /nfs/dbraw/zinc/48/00/01/574480001.db2.gz CACGYCZSOCWZTP-UHFFFAOYSA-N -1 3 266.098 2.233 20 30 CEEDHM C=CCN1c2ccccc2C(=N[N-]c2ccc(C)nn2)C1=O ZINC000729935751 574496544 /nfs/dbraw/zinc/49/65/44/574496544.db2.gz NNDWOJIXWZUVLJ-UHFFFAOYSA-N -1 3 293.330 2.134 20 30 CEEDHM CC(=NNCCN1CCCCC1)c1ccc([O-])cc1F ZINC000729932673 574496686 /nfs/dbraw/zinc/49/66/86/574496686.db2.gz ITVFZNXLQVZYQD-UHFFFAOYSA-N -1 3 279.359 2.331 20 30 CEEDHM C[C@@H](C#N)OC(=O)c1cccc(Br)c1[O-] ZINC000730365282 574517186 /nfs/dbraw/zinc/51/71/86/574517186.db2.gz ODFZCFSJVKDAPA-LURJTMIESA-N -1 3 270.082 2.224 20 30 CEEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737718676 574525274 /nfs/dbraw/zinc/52/52/74/574525274.db2.gz ONDKERHMVKURKB-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737718676 574525277 /nfs/dbraw/zinc/52/52/77/574525277.db2.gz ONDKERHMVKURKB-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM COc1cccc([O-])c1/C=N/C[C@@H](OC)C(F)(F)F ZINC000733205142 574657604 /nfs/dbraw/zinc/65/76/04/574657604.db2.gz LMEPYZGCTSEHEX-OHUUDMDPSA-N -1 3 277.242 2.397 20 30 CEEDHM CC(=NNc1ccc(C)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000735450852 574757555 /nfs/dbraw/zinc/75/75/55/574757555.db2.gz GHMSJTQMXYPOEM-UHFFFAOYSA-N -1 3 293.334 2.406 20 30 CEEDHM CC(=NNc1ccc(C)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000735450852 574757557 /nfs/dbraw/zinc/75/75/57/574757557.db2.gz GHMSJTQMXYPOEM-UHFFFAOYSA-N -1 3 293.334 2.406 20 30 CEEDHM CC(C)N(CCC#N)C(=O)c1nnc2ccccc2c1[O-] ZINC000735653265 574763818 /nfs/dbraw/zinc/76/38/18/574763818.db2.gz JJBYTEJAFINSHW-UHFFFAOYSA-N -1 3 284.319 2.100 20 30 CEEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC000736304244 574781632 /nfs/dbraw/zinc/78/16/32/574781632.db2.gz MKUIOFATUNQQJO-LLVKDONJSA-N -1 3 286.339 2.081 20 30 CEEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000736304244 574781633 /nfs/dbraw/zinc/78/16/33/574781633.db2.gz MKUIOFATUNQQJO-LLVKDONJSA-N -1 3 286.339 2.081 20 30 CEEDHM O=c1nc(C=N[O-])ccn1Cc1ccc2ccccc2c1 ZINC000739900151 574935713 /nfs/dbraw/zinc/93/57/13/574935713.db2.gz ZOEPKHCBHQLDAY-UHFFFAOYSA-N -1 3 279.299 2.253 20 30 CEEDHM C=CCN(CC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1)C(C)C ZINC000741777010 574997746 /nfs/dbraw/zinc/99/77/46/574997746.db2.gz IDSYZUPJXMXJPF-ZDUSSCGKSA-N -1 3 290.411 2.111 20 30 CEEDHM COc1cccc([O-])c1/C=N/C[C@@H](C)C(=O)OC(C)C ZINC000743044166 575042013 /nfs/dbraw/zinc/04/20/13/575042013.db2.gz GBELYYCNKYCGGW-LKBVRNOZSA-N -1 3 279.336 2.407 20 30 CEEDHM O=S(=O)(CCc1ccccc1)[N-]N=C[C@@H]1CC=CCC1 ZINC000743449437 575104371 /nfs/dbraw/zinc/10/43/71/575104371.db2.gz WTDWAQNTNIEZEZ-OAHLLOKOSA-N -1 3 292.404 2.491 20 30 CEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744032998 575112467 /nfs/dbraw/zinc/11/24/67/575112467.db2.gz KYHMSPVROHCAFC-RXTQTKKPSA-N -1 3 284.315 2.309 20 30 CEEDHM COc1cccc([O-])c1/C=N/CC1(OC)CCOCC1 ZINC000746521069 575158388 /nfs/dbraw/zinc/15/83/88/575158388.db2.gz CEKHXPRJZUNLPD-MHWRWJLKSA-N -1 3 279.336 2.015 20 30 CEEDHM CN1CCC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1=O ZINC000748286224 575182166 /nfs/dbraw/zinc/18/21/66/575182166.db2.gz RQERBJFMQSQFCC-UXYFDLPDSA-N -1 3 266.728 2.085 20 30 CEEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=CC3CC3)nc1-2 ZINC000750722777 575273270 /nfs/dbraw/zinc/27/32/70/575273270.db2.gz JZZKSDXPSJYUFF-ZWNMCFTASA-N -1 3 266.304 2.409 20 30 CEEDHM COc1cc(C(=O)/C=C\c2cn[nH]c2)c(OC)cc1[O-] ZINC000751534124 575291473 /nfs/dbraw/zinc/29/14/73/575291473.db2.gz BOEKQIBIMOHOLM-ARJAWSKDSA-N -1 3 274.276 2.029 20 30 CEEDHM [O-]c1c(Cl)cccc1C=NNCCN1CCCCC1 ZINC000753163598 575321127 /nfs/dbraw/zinc/32/11/27/575321127.db2.gz QTWUHCNWXMWMHS-UHFFFAOYSA-N -1 3 281.787 2.455 20 30 CEEDHM CC(C=NN1CC(=O)[N-]C1=O)=Cc1ccc(Cl)cc1 ZINC000753695275 575335994 /nfs/dbraw/zinc/33/59/94/575335994.db2.gz OJPFARDPVMQVJB-DZHSLENESA-N -1 3 277.711 2.281 20 30 CEEDHM CCC(C=NNCc1ccc(-c2nnn[n-]2)cc1)CC ZINC000820882359 607254101 /nfs/dbraw/zinc/25/41/01/607254101.db2.gz PQJGRGKAIAJZJM-UHFFFAOYSA-N -1 3 272.356 2.378 20 30 CEEDHM CCC(C=NNCc1ccc(-c2nn[n-]n2)cc1)CC ZINC000820882359 607254102 /nfs/dbraw/zinc/25/41/02/607254102.db2.gz PQJGRGKAIAJZJM-UHFFFAOYSA-N -1 3 272.356 2.378 20 30 CEEDHM C#CCCCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819693077 599078948 /nfs/dbraw/zinc/07/89/48/599078948.db2.gz NCQXYYXGBQREMP-UHFFFAOYSA-N -1 3 261.716 2.345 20 30 CEEDHM C#CCCCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819693077 599078951 /nfs/dbraw/zinc/07/89/51/599078951.db2.gz NCQXYYXGBQREMP-UHFFFAOYSA-N -1 3 261.716 2.345 20 30 CEEDHM N#CC(C(=O)CCCNC(=O)[O-])c1ccc2ccccc2n1 ZINC000739073675 599797881 /nfs/dbraw/zinc/79/78/81/599797881.db2.gz FHYBJKYOXRPHNM-LBPRGKRZSA-N -1 3 297.314 2.459 20 30 CEEDHM N#CC(C(=O)CCNC(=O)[O-])c1ccc2ccccc2n1 ZINC000739073679 599797958 /nfs/dbraw/zinc/79/79/58/599797958.db2.gz FJSAHKBLRNNBOB-NSHDSACASA-N -1 3 283.287 2.069 20 30 CEEDHM CC(C)(C)CN(CCC#N)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000824087368 607502798 /nfs/dbraw/zinc/50/27/98/607502798.db2.gz UAOUIQOIARMWTC-UHFFFAOYSA-N -1 3 299.382 2.023 20 30 CEEDHM CC(C)CON=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000824271933 607530009 /nfs/dbraw/zinc/53/00/09/607530009.db2.gz RUQBYBQFAVYSLR-UHFFFAOYSA-N -1 3 284.323 2.355 20 30 CEEDHM CC(C)CON=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000824271933 607530010 /nfs/dbraw/zinc/53/00/10/607530010.db2.gz RUQBYBQFAVYSLR-UHFFFAOYSA-N -1 3 284.323 2.355 20 30 CEEDHM C[C@H](c1ccc(C#N)cc1)N1CCC(NC(=O)[O-])CC1 ZINC000739056093 603061906 /nfs/dbraw/zinc/06/19/06/603061906.db2.gz ZQWSVOJEWRSSIV-LLVKDONJSA-N -1 3 273.336 2.351 20 30 CEEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000823894714 607740801 /nfs/dbraw/zinc/74/08/01/607740801.db2.gz WKKGEXSYKBOOIW-UHFFFAOYSA-N -1 3 288.355 2.013 20 30 CEEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000823894714 607740802 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C=CCCC[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000823894820 608332907 /nfs/dbraw/zinc/33/29/07/608332907.db2.gz XPRDZSZXTQDBJO-SNVBAGLBSA-N -1 3 287.323 2.163 20 30 CEEDHM C(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823867980 608390899 /nfs/dbraw/zinc/39/08/99/608390899.db2.gz LVPNUEBSZAKSKO-UHFFFAOYSA-N -1 3 257.297 2.160 20 30 CEEDHM C(=NOC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823867980 608390901 /nfs/dbraw/zinc/39/09/01/608390901.db2.gz LVPNUEBSZAKSKO-UHFFFAOYSA-N -1 3 257.297 2.160 20 30 CEEDHM N#Cc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1F ZINC000826383920 608877176 /nfs/dbraw/zinc/87/71/76/608877176.db2.gz XOMBXPYLAINMEI-RJRFIUFISA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000826383920 608877179 /nfs/dbraw/zinc/87/71/79/608877179.db2.gz XOMBXPYLAINMEI-RJRFIUFISA-N -1 3 292.277 2.443 20 30 CEEDHM CC(C)(C#N)CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824059144 609389652 /nfs/dbraw/zinc/38/96/52/609389652.db2.gz NQNFHWLGVBTXJX-UHFFFAOYSA-N -1 3 297.366 2.102 20 30 CEEDHM CC(C)(C#N)CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000824059144 609389655 /nfs/dbraw/zinc/38/96/55/609389655.db2.gz NQNFHWLGVBTXJX-UHFFFAOYSA-N -1 3 297.366 2.102 20 30 CEEDHM CC1(C)CCCC[C@H]1CC(=O)N[C@H]1CCCN([O-])C1=O ZINC000820476407 634422433 /nfs/dbraw/zinc/42/24/33/634422433.db2.gz LQPHKTHROKTCKH-RYUDHWBXSA-N -1 3 282.384 2.089 20 30 CEEDHM N#Cc1nc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1Cl ZINC000894375534 629405815 /nfs/dbraw/zinc/40/58/15/629405815.db2.gz PXAHXBBWWTZTHM-QMMMGPOBSA-N -1 3 289.726 2.029 20 30 CEEDHM C[C@H](NN=C1c2ccc([O-])cc2NC1=O)C(C)(C)C ZINC000793110689 629745169 /nfs/dbraw/zinc/74/51/69/629745169.db2.gz ACVWSZRFVNWNON-QMMMGPOBSA-N -1 3 261.325 2.073 20 30 CEEDHM O=C1[C@H](N[C@@H](CCc2ccccc2)C(F)F)CCCN1[O-] ZINC000895163715 629986010 /nfs/dbraw/zinc/98/60/10/629986010.db2.gz XYKNZMVSDNWNOA-QWHCGFSZSA-N -1 3 298.333 2.223 20 30 CEEDHM CC#CCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000166255995 630008746 /nfs/dbraw/zinc/00/87/46/630008746.db2.gz KKDHOVVVWCOYLX-UHFFFAOYSA-N 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/nfs/dbraw/zinc/64/70/58/633647058.db2.gz UZCDTRYWHWRCDP-UHFFFAOYSA-N -1 3 258.321 2.143 20 30 CEEDHM CCCCCCCC[C@H](N)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000900456230 633731052 /nfs/dbraw/zinc/73/10/52/633731052.db2.gz HYWBEHDPZYKJPR-KBPBESRZSA-N -1 3 298.427 2.388 20 30 CEEDHM [O-]c1cccc(Cl)c1C=Nn1nnc2c1CCCC2 ZINC000901330952 634047905 /nfs/dbraw/zinc/04/79/05/634047905.db2.gz GERHFJAVOGKRBU-UHFFFAOYSA-N -1 3 276.727 2.398 20 30 CEEDHM [O-]c1cc(Cl)cc(C=NN[C@@H]2CCCC[C@H]2O)c1 ZINC000901332176 634049095 /nfs/dbraw/zinc/04/90/95/634049095.db2.gz BNVMUISJYUFFLY-CHWSQXEVSA-N -1 3 268.744 2.273 20 30 CEEDHM CCCn1nccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372150 634075409 /nfs/dbraw/zinc/07/54/09/634075409.db2.gz SFDUULHSXHVPHH-UHFFFAOYSA-N -1 3 277.299 2.464 20 30 CEEDHM COCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379700 634081642 /nfs/dbraw/zinc/08/16/42/634081642.db2.gz NCERAZWJRPVPSF-UHFFFAOYSA-N -1 3 264.108 2.358 20 30 CEEDHM C=C(Cl)C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000901938204 634366174 /nfs/dbraw/zinc/36/61/74/634366174.db2.gz LPIXEZBLFKSJHV-SNVBAGLBSA-N -1 3 255.701 2.078 20 30 CEEDHM C=C[C@H](CC)CC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC000822551627 634940320 /nfs/dbraw/zinc/94/03/20/634940320.db2.gz CPTJEVIQWMIVFX-LLVKDONJSA-N -1 3 285.351 2.331 20 30 CEEDHM C=C[C@H](CC)CC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC000822551627 634940321 /nfs/dbraw/zinc/94/03/21/634940321.db2.gz CPTJEVIQWMIVFX-LLVKDONJSA-N -1 3 285.351 2.331 20 30 CEEDHM C#CCCCNc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823840888 635288389 /nfs/dbraw/zinc/28/83/89/635288389.db2.gz GHVOISIXMXQPQY-UHFFFAOYSA-N -1 3 271.324 2.091 20 30 CEEDHM C#CCCCNc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823840888 635288393 /nfs/dbraw/zinc/28/83/93/635288393.db2.gz GHVOISIXMXQPQY-UHFFFAOYSA-N -1 3 271.324 2.091 20 30 CEEDHM C=C(C)CO[N-]C(=O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000824028308 635325903 /nfs/dbraw/zinc/32/59/03/635325903.db2.gz DWGQPRUSIOFAFM-IUCAKERBSA-N -1 3 267.247 2.110 20 30 CEEDHM CCCCCCN([O-])C(=O)c1nn(C)cc1Cl ZINC000904206827 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N#Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737729997 599570653 /nfs/dbraw/zinc/57/06/53/599570653.db2.gz CCIYYCGROAZSLN-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM N#Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737729997 599570655 /nfs/dbraw/zinc/57/06/55/599570655.db2.gz CCIYYCGROAZSLN-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM C[C@@H](CC(=O)[O-])C(=O)C(C#N)c1nc2ccccc2o1 ZINC000827240447 602184866 /nfs/dbraw/zinc/18/48/66/602184866.db2.gz KLHDUAYMHLKMEZ-IUCAKERBSA-N -1 3 272.260 2.115 20 30 CEEDHM C[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179344 602779475 /nfs/dbraw/zinc/77/94/75/602779475.db2.gz BFCROMMFRAJOHY-FZMZJTMJSA-N -1 3 273.336 2.036 20 30 CEEDHM CC(C)C[C@](C)(CNC(=O)[O-])NCc1ccc(C#N)o1 ZINC000824176287 603163778 /nfs/dbraw/zinc/16/37/78/603163778.db2.gz LHAPKBCUBVBEBZ-CQSZACIVSA-N -1 3 279.340 2.313 20 30 CEEDHM N#Cc1ccc(CNCC[C@@H]2CCN(C(=O)[O-])C2)c(F)c1 ZINC000831126933 605516736 /nfs/dbraw/zinc/51/67/36/605516736.db2.gz WYTDEJQEMYQZRW-LLVKDONJSA-N -1 3 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346260159 /nfs/dbraw/zinc/26/01/59/346260159.db2.gz AIJDDOWJZCBNMF-UHFFFAOYSA-N -1 3 251.351 2.431 20 30 CEEDHM CCc1ccc([O-])c(C(=O)N([C@H](C)C#N)C2CC2)c1 ZINC000598132960 346296486 /nfs/dbraw/zinc/29/64/86/346296486.db2.gz LWTHCYOBXRPDDN-SNVBAGLBSA-N -1 3 258.321 2.471 20 30 CEEDHM Cc1cccc(NC(=O)c2cc(C#N)ccn2)c1[O-] ZINC000585682006 539549770 /nfs/dbraw/zinc/54/97/70/539549770.db2.gz KHKCHXVAACQEBX-UHFFFAOYSA-N -1 3 253.261 2.220 20 30 CEEDHM COCCCNc1ccc(-c2ccc([O-])c(C#N)c2)cn1 ZINC000600780917 346689315 /nfs/dbraw/zinc/68/93/15/346689315.db2.gz WVPABXCMOTVWEY-UHFFFAOYSA-N -1 3 283.331 2.196 20 30 CEEDHM C[C@H](CC#N)NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000602867911 347231525 /nfs/dbraw/zinc/23/15/25/347231525.db2.gz FOUXAAUXBMZHOE-SECBINFHSA-N -1 3 282.303 2.473 20 30 CEEDHM CC(C)(C#N)CCCCSCCc1nnn[n-]1 ZINC000603339403 347343838 /nfs/dbraw/zinc/34/38/38/347343838.db2.gz DEZDQVQVWVDYIU-UHFFFAOYSA-N -1 3 253.375 2.195 20 30 CEEDHM CC(C)(C#N)CCCCSCCc1nn[n-]n1 ZINC000603339403 347343840 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C[C@@H](F)CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000339032251 366622652 /nfs/dbraw/zinc/62/26/52/366622652.db2.gz GJMZDYMZQOHKBI-MRVPVSSYSA-N -1 3 290.747 2.238 20 30 CEEDHM N#Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000090371052 364054697 /nfs/dbraw/zinc/05/46/97/364054697.db2.gz PYEXFGPYDOJNFM-UHFFFAOYSA-N -1 3 294.236 2.272 20 30 CEEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000157683340 366847591 /nfs/dbraw/zinc/84/75/91/366847591.db2.gz IKYQYYOOYLFBSV-SECBINFHSA-N -1 3 284.768 2.455 20 30 CEEDHM CC(C)(C)C[C@H](O)C/N=C/c1ccc(O)c([O-])c1O ZINC000172156755 367685118 /nfs/dbraw/zinc/68/51/18/367685118.db2.gz UUFJHDPBFQASGD-XVBMGZJVSA-N -1 3 267.325 2.019 20 30 CEEDHM C=C(C)Cn1[n-]c2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000634603730 368752859 /nfs/dbraw/zinc/75/28/59/368752859.db2.gz IKBNCEMTPBHDPD-OAHLLOKOSA-N -1 3 283.375 2.283 20 30 CEEDHM C=CCn1c(SCC(=O)c2ccc(C)cc2)n[n-]c1=O ZINC000348120900 368907592 /nfs/dbraw/zinc/90/75/92/368907592.db2.gz OKLBHFHIIIUVGV-UHFFFAOYSA-N -1 3 289.360 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C=CCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000819734173 606335145 /nfs/dbraw/zinc/33/51/45/606335145.db2.gz JLCKTCKDCNCSQM-UHFFFAOYSA-N -1 3 289.314 2.325 20 30 CEEDHM C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819729315 606356902 /nfs/dbraw/zinc/35/69/02/606356902.db2.gz GJQZHQKAGNUBTK-QMMMGPOBSA-N -1 3 290.302 2.092 20 30 CEEDHM C=CC[C@H](C)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819729315 606356904 /nfs/dbraw/zinc/35/69/04/606356904.db2.gz GJQZHQKAGNUBTK-QMMMGPOBSA-N -1 3 290.302 2.092 20 30 CEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccnc1 ZINC000822929514 606388231 /nfs/dbraw/zinc/38/82/31/606388231.db2.gz VJCRRYLHZUZXPA-HYXAFXHYSA-N -1 3 283.316 2.219 20 30 CEEDHM CCc1ncc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821518542 606461403 /nfs/dbraw/zinc/46/14/03/606461403.db2.gz ZFAYKLYGDPUROZ-UHFFFAOYSA-N -1 3 299.363 2.332 20 30 CEEDHM CCc1ncc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821518542 606461405 /nfs/dbraw/zinc/46/14/05/606461405.db2.gz ZFAYKLYGDPUROZ-UHFFFAOYSA-N -1 3 299.363 2.332 20 30 CEEDHM Cc1cccc(CNN=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822304066 606990698 /nfs/dbraw/zinc/99/06/98/606990698.db2.gz PDYHWXJDSUKJCO-UHFFFAOYSA-N -1 3 292.346 2.299 20 30 CEEDHM Cc1cccc(CNN=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822304066 606990699 /nfs/dbraw/zinc/99/06/99/606990699.db2.gz PDYHWXJDSUKJCO-UHFFFAOYSA-N -1 3 292.346 2.299 20 30 CEEDHM C(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823867760 608390987 /nfs/dbraw/zinc/39/09/87/608390987.db2.gz HGAVZYYRPAGMBK-UHFFFAOYSA-N -1 3 263.326 2.221 20 30 CEEDHM C(=NOC1CCCC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823867989 608391184 /nfs/dbraw/zinc/39/11/84/608391184.db2.gz MDQKIAYKDFOYTB-UHFFFAOYSA-N -1 3 263.326 2.221 20 30 CEEDHM C(=NOC1CCCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823867989 608391186 /nfs/dbraw/zinc/39/11/86/608391186.db2.gz MDQKIAYKDFOYTB-UHFFFAOYSA-N -1 3 263.326 2.221 20 30 CEEDHM C=C(Cl)CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823883328 609341709 /nfs/dbraw/zinc/34/17/09/609341709.db2.gz OOFFPOBDZJOICS-MRVPVSSYSA-N -1 3 281.722 2.409 20 30 CEEDHM C=C(Cl)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823883328 609341712 /nfs/dbraw/zinc/34/17/12/609341712.db2.gz OOFFPOBDZJOICS-MRVPVSSYSA-N -1 3 281.722 2.409 20 30 CEEDHM Clc1cc(NN=Cc2cccnc2)ccc1-c1nnn[n-]1 ZINC000826351400 609471948 /nfs/dbraw/zinc/47/19/48/609471948.db2.gz KZEZTROZZPTVTC-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM Clc1cc(NN=Cc2cccnc2)ccc1-c1nn[n-]n1 ZINC000826351400 609471950 /nfs/dbraw/zinc/47/19/50/609471950.db2.gz KZEZTROZZPTVTC-UHFFFAOYSA-N -1 3 299.725 2.361 20 30 CEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCC(C)(C#N)CC2)n1 ZINC000826262714 609560405 /nfs/dbraw/zinc/56/04/05/609560405.db2.gz WNFMSXRVGUMEFO-UHFFFAOYSA-N -1 3 297.366 2.009 20 30 CEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCC(C)(C#N)CC2)n1 ZINC000826262714 609560407 /nfs/dbraw/zinc/56/04/07/609560407.db2.gz WNFMSXRVGUMEFO-UHFFFAOYSA-N -1 3 297.366 2.009 20 30 CEEDHM C=C(C)CN1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC000949684242 613297026 /nfs/dbraw/zinc/29/70/26/613297026.db2.gz JNELHKREIWDSSG-UHFFFAOYSA-N -1 3 274.364 2.115 20 30 CEEDHM N#CCCCCC(=O)[N-]OCCOc1ccccc1 ZINC000889443684 622952764 /nfs/dbraw/zinc/95/27/64/622952764.db2.gz PBDUBPMFIYXURY-UHFFFAOYSA-N -1 3 262.309 2.197 20 30 CEEDHM C=CCCCN(CC)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000890813118 622997439 /nfs/dbraw/zinc/99/74/39/622997439.db2.gz VZLAQDHXHUFTQZ-UHFFFAOYSA-N -1 3 275.352 2.488 20 30 CEEDHM C=C(C)[C@@H](CC(=O)[N-]OCCOc1ccccc1)OCC ZINC000889446362 623109619 /nfs/dbraw/zinc/10/96/19/623109619.db2.gz DPQXJKDXEOUDEF-OAHLLOKOSA-N -1 3 293.363 2.485 20 30 CEEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccccc1 ZINC000255368417 623803594 /nfs/dbraw/zinc/80/35/94/623803594.db2.gz WEKMFWHEXNWGSB-WSROAFLRSA-N -1 3 279.299 2.025 20 30 CEEDHM COc1c([O-])ccc(CN(CCC#N)C(C)C)c1[N+](=O)[O-] ZINC000891695021 623906436 /nfs/dbraw/zinc/90/64/36/623906436.db2.gz TUPIAPIYZVRQSL-UHFFFAOYSA-N -1 3 293.323 2.433 20 30 CEEDHM COc1ccc(C(=O)N(CCC#N)CC(C)C)c([O-])c1 ZINC000048151441 624512165 /nfs/dbraw/zinc/51/21/65/624512165.db2.gz ZSTMOKTZTVSRRP-UHFFFAOYSA-N -1 3 276.336 2.413 20 30 CEEDHM COc1cc(C(=O)/C=C/c2ccn(C)n2)ccc1[O-] ZINC000165406998 627395512 /nfs/dbraw/zinc/39/55/12/627395512.db2.gz DBJLXDQVSHMSLN-GQCTYLIASA-N -1 3 258.277 2.030 20 30 CEEDHM CC(C)OC(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000103716719 628252150 /nfs/dbraw/zinc/25/21/50/628252150.db2.gz YJQISGCTIADBHJ-MKMNVTDBSA-N -1 3 255.701 2.416 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000313493698 628610693 /nfs/dbraw/zinc/61/06/93/628610693.db2.gz FSNYCBUCMVOEAR-UHFFFAOYSA-N -1 3 278.736 2.119 20 30 CEEDHM Cc1cc(F)c(CN[C@@H]2CCCN([O-])C2=O)c(Cl)c1 ZINC000895158892 629974838 /nfs/dbraw/zinc/97/48/38/629974838.db2.gz PZJNSRVKWBRMQV-GFCCVEGCSA-N -1 3 286.734 2.257 20 30 CEEDHM CC(C)COc1ccccc1CN[C@@H]1CCCN([O-])C1=O ZINC000895157983 629975018 /nfs/dbraw/zinc/97/50/18/629975018.db2.gz GPTGXKNQTFQFKU-CQSZACIVSA-N -1 3 292.379 2.191 20 30 CEEDHM CCCCOc1ccccc1CN[C@H]1CCCN([O-])C1=O ZINC000895159334 629976725 /nfs/dbraw/zinc/97/67/25/629976725.db2.gz FJGMCABMUDUESJ-AWEZNQCLSA-N -1 3 292.379 2.335 20 30 CEEDHM C[C@H](N[C@@H]1CCCN([O-])C1=O)c1cc2ccccc2o1 ZINC000895161402 629979923 /nfs/dbraw/zinc/97/99/23/629979923.db2.gz GDITXXWSWGGHGL-CMPLNLGQSA-N -1 3 274.320 2.464 20 30 CEEDHM C=CC[C@H](CO)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000821911786 634822731 /nfs/dbraw/zinc/82/27/31/634822731.db2.gz DMBCATNLHRDYIH-LLVKDONJSA-N -1 3 291.244 2.110 20 30 CEEDHM CCCCN([O-])C(=O)CCN(Cc1ccccc1)C(C)=O ZINC000904210457 635501790 /nfs/dbraw/zinc/50/17/90/635501790.db2.gz QRHOZPRBSQUHOP-UHFFFAOYSA-N -1 3 292.379 2.443 20 30 CEEDHM C#CCN(CC#N)Cc1cc(Br)ccc1[O-] ZINC000897163251 630970002 /nfs/dbraw/zinc/97/00/02/630970002.db2.gz LHYOQMQFHMQLAW-UHFFFAOYSA-N -1 3 279.137 2.113 20 30 CEEDHM C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)C1 ZINC000888120478 631369806 /nfs/dbraw/zinc/36/98/06/631369806.db2.gz OFCJFNOZOQKFSL-UHFFFAOYSA-N -1 3 277.324 2.270 20 30 CEEDHM C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)C1 ZINC000888120478 631369812 /nfs/dbraw/zinc/36/98/12/631369812.db2.gz OFCJFNOZOQKFSL-UHFFFAOYSA-N -1 3 277.324 2.270 20 30 CEEDHM COCC(C)(C)CCC/N=C\c1c([O-])c(C)ncc1CO ZINC000806549947 631751829 /nfs/dbraw/zinc/75/18/29/631751829.db2.gz DBMKQHVHZZXUOO-MFOYZWKCSA-N -1 3 294.395 2.460 20 30 CEEDHM COc1cc(C(=O)/C=C/c2cn(C(C)C)nn2)ccc1[O-] ZINC000806570361 631753347 /nfs/dbraw/zinc/75/33/47/631753347.db2.gz XMPSVIMKRHPQEG-FNORWQNLSA-N -1 3 287.319 2.469 20 30 CEEDHM C=CCC1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CCC1 ZINC000898220716 632095644 /nfs/dbraw/zinc/09/56/44/632095644.db2.gz FOJGODWFCQWBQA-NSHDSACASA-N -1 3 275.352 2.178 20 30 CEEDHM CC[C@@H](NCc1nnc2n1CCC2)c1cccc(C#N)c1[O-] ZINC000924626095 632351363 /nfs/dbraw/zinc/35/13/63/632351363.db2.gz SAUUGTZSXPIPQV-CYBMUJFWSA-N -1 3 297.362 2.042 20 30 CEEDHM CC[C@@H](C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187541 632354683 /nfs/dbraw/zinc/35/46/83/632354683.db2.gz SLLLNQKZMWEDFO-SECBINFHSA-N -1 3 261.277 2.036 20 30 CEEDHM Cn1cc(C=NNc2ncc(Cl)cc2Cl)c(=O)[n-]1 ZINC000814215687 632813198 /nfs/dbraw/zinc/81/31/98/632813198.db2.gz SOVIFSMFKNCRHL-UHFFFAOYSA-N -1 3 286.122 2.274 20 30 CEEDHM C=CCC[C@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814529740 632855305 /nfs/dbraw/zinc/85/53/05/632855305.db2.gz PAIQNAGTNAJLDW-VIFPVBQESA-N -1 3 251.282 2.313 20 30 CEEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1nc2c(s1)CCCC2 ZINC000814813996 632903210 /nfs/dbraw/zinc/90/32/10/632903210.db2.gz RYRXXIKLIYSHSA-UHFFFAOYSA-N -1 3 299.363 2.134 20 30 CEEDHM CC(=NNCC(=O)[O-])c1ccc(N2CCCCCC2)cc1 ZINC000814959765 632941107 /nfs/dbraw/zinc/94/11/07/632941107.db2.gz BJVAMSCKWPSFLP-UHFFFAOYSA-N -1 3 289.379 2.465 20 30 CEEDHM C#CCOc1ccccc1NC(=O)c1ccc(C(=O)OC)[n-]1 ZINC000816183841 633143747 /nfs/dbraw/zinc/14/37/47/633143747.db2.gz AJBWCVUPXHMHKG-UHFFFAOYSA-N -1 3 298.298 2.066 20 30 CEEDHM Cc1ocnc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900093962 633410759 /nfs/dbraw/zinc/41/07/59/633410759.db2.gz DBKDBDZLFMHXGV-UHFFFAOYSA-N -1 3 250.229 2.154 20 30 CEEDHM O=C(c1cscn1)N([O-])Cc1ccc(F)cc1 ZINC000900096189 633413176 /nfs/dbraw/zinc/41/31/76/633413176.db2.gz VEISBRHPDUQIRB-UHFFFAOYSA-N -1 3 252.270 2.314 20 30 CEEDHM COc1c([O-])c(CN(C)CC(C)(C)C#N)ccc1[N+](=O)[O-] ZINC000816631879 633452609 /nfs/dbraw/zinc/45/26/09/633452609.db2.gz JXLLVJQDCLTFPR-UHFFFAOYSA-N -1 3 293.323 2.291 20 30 CEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(C2CCC2)cc1 ZINC000816753897 633472198 /nfs/dbraw/zinc/47/21/98/633472198.db2.gz RKLHDSMLIMEOOC-CQSZACIVSA-N -1 3 288.347 2.064 20 30 CEEDHM CC1(C)CCC(CC(=O)N[C@@H]2CCCN([O-])C2=O)CC1 ZINC000816759677 633472933 /nfs/dbraw/zinc/47/29/33/633472933.db2.gz RQGFXTCQNUZAMH-GFCCVEGCSA-N -1 3 282.384 2.089 20 30 CEEDHM C=CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000900456786 633730541 /nfs/dbraw/zinc/73/05/41/633730541.db2.gz MJTXBZFWIJTJCD-CYBMUJFWSA-N -1 3 276.336 2.315 20 30 CEEDHM CCCCN([O-])C(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC000900682239 633806895 /nfs/dbraw/zinc/80/68/95/633806895.db2.gz MLFDLXLZGOYPKZ-JOCQHMNTSA-N -1 3 292.383 2.465 20 30 CEEDHM CC[C@@]1(C)NC(=O)N(N=Cc2cc([O-])cc(Cl)c2)C1=O ZINC000901144535 633964059 /nfs/dbraw/zinc/96/40/59/633964059.db2.gz TULLFJCXPCZOBQ-CYBMUJFWSA-N -1 3 295.726 2.100 20 30 CEEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)n1ccnc1 ZINC000901371410 634075635 /nfs/dbraw/zinc/07/56/35/634075635.db2.gz BFOGTTBGBGZCNX-NSHDSACASA-N -1 3 277.299 2.391 20 30 CEEDHM C=CCN(CC(=O)[O-])Cc1ccc(OCC)c(F)c1 ZINC000901587617 634188657 /nfs/dbraw/zinc/18/86/57/634188657.db2.gz WVALMIWMGOPPTR-UHFFFAOYSA-N -1 3 267.300 2.297 20 30 CEEDHM C#CCCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000820219605 634357465 /nfs/dbraw/zinc/35/74/65/634357465.db2.gz YFISTJZIBBPOQB-UHFFFAOYSA-N -1 3 257.293 2.401 20 30 CEEDHM C=C(Cl)C[C@@H](NCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC000901938026 634366271 /nfs/dbraw/zinc/36/62/71/634366271.db2.gz KWQGPCRTDZKYEP-MRVPVSSYSA-N -1 3 290.728 2.342 20 30 CEEDHM N#CCC[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000822502373 634931967 /nfs/dbraw/zinc/93/19/67/634931967.db2.gz NUJSNYMCZQLXSY-UHFFFAOYSA-N -1 3 260.190 2.086 20 30 CEEDHM C=CCN(C(=O)Cc1ccc([O-])c(F)c1)C(C)C ZINC000823097376 635067673 /nfs/dbraw/zinc/06/76/73/635067673.db2.gz VLTPNJHYGJNRKC-UHFFFAOYSA-N -1 3 251.301 2.497 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823894069 635302049 /nfs/dbraw/zinc/30/20/49/635302049.db2.gz GWLDSXNPPXUZKJ-LLVKDONJSA-N -1 3 285.351 2.341 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823894069 635302059 /nfs/dbraw/zinc/30/20/59/635302059.db2.gz GWLDSXNPPXUZKJ-LLVKDONJSA-N -1 3 285.351 2.341 20 30 CEEDHM C=CCCC[C@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823894629 635302281 /nfs/dbraw/zinc/30/22/81/635302281.db2.gz VEUFHDJRCBXLDX-VIFPVBQESA-N -1 3 275.312 2.096 20 30 CEEDHM C=CCCC[C@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823894629 635302285 /nfs/dbraw/zinc/30/22/85/635302285.db2.gz VEUFHDJRCBXLDX-VIFPVBQESA-N -1 3 275.312 2.096 20 30 CEEDHM C=CCC[C@H](OC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC000823894378 635302694 /nfs/dbraw/zinc/30/26/94/635302694.db2.gz OPEMHZWNFAKBLM-LBPRGKRZSA-N -1 3 287.323 2.096 20 30 CEEDHM C=CCC[C@H](OC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC000823894378 635302701 /nfs/dbraw/zinc/30/27/01/635302701.db2.gz OPEMHZWNFAKBLM-LBPRGKRZSA-N -1 3 287.323 2.096 20 30 CEEDHM CC(C)(C)CCNN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000824086892 635343924 /nfs/dbraw/zinc/34/39/24/635343924.db2.gz PLVAKUCSWDXXGV-UHFFFAOYSA-N -1 3 278.385 2.288 20 30 CEEDHM CC(C)(C)CCNN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000824086892 635343930 /nfs/dbraw/zinc/34/39/30/635343930.db2.gz PLVAKUCSWDXXGV-UHFFFAOYSA-N -1 3 278.385 2.288 20 30 CEEDHM CC(C)(C)CCNN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824086559 635344591 /nfs/dbraw/zinc/34/45/91/635344591.db2.gz NIIIYBQIWYVFBJ-UHFFFAOYSA-N -1 3 290.346 2.366 20 30 CEEDHM CC(C)(C)CCNN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824086559 635344595 /nfs/dbraw/zinc/34/45/95/635344595.db2.gz NIIIYBQIWYVFBJ-UHFFFAOYSA-N -1 3 290.346 2.366 20 30 CEEDHM CSC1(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904173070 635491708 /nfs/dbraw/zinc/49/17/08/635491708.db2.gz GFBBPOXZILASCW-UHFFFAOYSA-N -1 3 255.314 2.439 20 30 CEEDHM 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N#CC(=C([O-])c1cccc2[nH]c(=O)oc21)c1ccccn1 ZINC000152260890 328083212 /nfs/dbraw/zinc/08/32/12/328083212.db2.gz ARIAYGKIXDIOCP-SNVBAGLBSA-N -1 3 279.255 2.006 20 30 CEEDHM Cc1ccc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c([O-])c1O ZINC000296885394 328292559 /nfs/dbraw/zinc/29/25/59/328292559.db2.gz KOXYHIVHKFPVFZ-QWRGUYRKSA-N -1 3 274.320 2.218 20 30 CEEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N[C@H](C#N)C1CC1)c2=O ZINC000341597692 328412612 /nfs/dbraw/zinc/41/26/12/328412612.db2.gz RLQVWHRYKUXQTO-CYBMUJFWSA-N -1 3 299.305 2.008 20 30 CEEDHM Cc1cc([N-]C(=O)[C@H](C)Nc2ccc(CC#N)cc2)on1 ZINC000010172786 326796866 /nfs/dbraw/zinc/79/68/66/326796866.db2.gz WKJDAURZGAVACO-NSHDSACASA-N -1 3 284.319 2.488 20 30 CEEDHM CCN1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330585227 327357671 /nfs/dbraw/zinc/35/76/71/327357671.db2.gz MRWGZIOKWLHREI-UHFFFAOYSA-N -1 3 293.323 2.089 20 30 CEEDHM C=CCCCCCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377486457 329016457 /nfs/dbraw/zinc/01/64/57/329016457.db2.gz 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C=C[C@@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436930009 330688823 /nfs/dbraw/zinc/68/88/23/330688823.db2.gz GNKZYNLRILMRHG-LBPRGKRZSA-N -1 3 299.326 2.461 20 30 CEEDHM C=CCC(C)(C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000451329309 331024616 /nfs/dbraw/zinc/02/46/16/331024616.db2.gz NAQYHZSTAFMIOC-LLVKDONJSA-N -1 3 263.341 2.224 20 30 CEEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000451906952 331046905 /nfs/dbraw/zinc/04/69/05/331046905.db2.gz GRPQEDJSDVTWNA-NEPJUHHUSA-N -1 3 299.367 2.146 20 30 CEEDHM C=CCN(CCC#N)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451964748 331048576 /nfs/dbraw/zinc/04/85/76/331048576.db2.gz LDAQVKPQLOSUIC-UHFFFAOYSA-N -1 3 262.284 2.002 20 30 CEEDHM C=CCN(CCOC)Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000459410204 331280249 /nfs/dbraw/zinc/28/02/49/331280249.db2.gz CBGLGIICUHANFU-UHFFFAOYSA-N -1 3 299.374 2.484 20 30 CEEDHM COCCN(CC#N)Cc1ccc([O-])c2nc(C)ccc12 ZINC000459525018 331285926 /nfs/dbraw/zinc/28/59/26/331285926.db2.gz BHQVMMWVBSXGRF-UHFFFAOYSA-N -1 3 285.347 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ZINC000747082900 575167081 /nfs/dbraw/zinc/16/70/81/575167081.db2.gz TUACRPSKOHVPRI-UHFFFAOYSA-N -1 3 284.271 2.024 20 30 CEEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)c2ccncc2)c1[O-] ZINC000749846318 575237253 /nfs/dbraw/zinc/23/72/53/575237253.db2.gz XWJHIHJYDUNSHS-KECVIQKOSA-N -1 3 285.347 2.206 20 30 CEEDHM COc1cccc([O-])c1/C=N\[C@H]1CCN(c2ccccn2)C1 ZINC000753637931 575333293 /nfs/dbraw/zinc/33/32/93/575333293.db2.gz GKKBFVNJHIPTJM-JFENUBAZSA-N -1 3 297.358 2.494 20 30 CEEDHM Fc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822796429 607254846 /nfs/dbraw/zinc/25/48/46/607254846.db2.gz QMVRSRFMOTVNED-UHFFFAOYSA-N -1 3 296.309 2.130 20 30 CEEDHM Fc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822796429 607254847 /nfs/dbraw/zinc/25/48/47/607254847.db2.gz QMVRSRFMOTVNED-UHFFFAOYSA-N -1 3 296.309 2.130 20 30 CEEDHM CCN(C[C@H](C)C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399107 608154294 /nfs/dbraw/zinc/15/42/94/608154294.db2.gz IXHLBAOTDJNAPI-VXGBXAGGSA-N -1 3 284.367 2.409 20 30 CEEDHM 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291.318 2.306 20 30 CEEDHM N#Cc1cccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822837617 606204558 /nfs/dbraw/zinc/20/45/58/606204558.db2.gz PLMQMXYUKDNRQB-UHFFFAOYSA-N -1 3 295.331 2.246 20 30 CEEDHM N#Cc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822837617 606204560 /nfs/dbraw/zinc/20/45/60/606204560.db2.gz PLMQMXYUKDNRQB-UHFFFAOYSA-N -1 3 295.331 2.246 20 30 CEEDHM C=CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819733834 606264582 /nfs/dbraw/zinc/26/45/82/606264582.db2.gz BXPZPXUFONHOTN-UHFFFAOYSA-N -1 3 271.324 2.470 20 30 CEEDHM C=CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819733834 606264584 /nfs/dbraw/zinc/26/45/84/606264584.db2.gz BXPZPXUFONHOTN-UHFFFAOYSA-N -1 3 271.324 2.470 20 30 CEEDHM C=C[C@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819729485 606802273 /nfs/dbraw/zinc/80/22/73/606802273.db2.gz HDCMISWKESSEDZ-VIFPVBQESA-N -1 3 266.308 2.401 20 30 CEEDHM C=C[C@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819729485 606802275 /nfs/dbraw/zinc/80/22/75/606802275.db2.gz HDCMISWKESSEDZ-VIFPVBQESA-N -1 3 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C[C@H]1C[C@H](C)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591942 604609808 /nfs/dbraw/zinc/60/98/08/604609808.db2.gz OSJYZGKIOPMJDG-QWRGUYRKSA-N -1 3 258.321 2.487 20 30 CEEDHM C[C@@H]1CN(C)CC1N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833620763 605156619 /nfs/dbraw/zinc/15/66/19/605156619.db2.gz FGAQGOIBKMYKJG-MRVPVSSYSA-N -1 3 281.743 2.388 20 30 CEEDHM N#CC(C(=O)CC1CCN(C(=O)[O-])CC1)c1ccccn1 ZINC000833961006 606084906 /nfs/dbraw/zinc/08/49/06/606084906.db2.gz NJKNCZJFEAZNNQ-LBPRGKRZSA-N -1 3 287.319 2.038 20 30 CEEDHM C=CCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000819733892 606337029 /nfs/dbraw/zinc/33/70/29/606337029.db2.gz DUMJJGFWTMIQRQ-UHFFFAOYSA-N -1 3 282.307 2.033 20 30 CEEDHM C=CCCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000819733892 606337031 /nfs/dbraw/zinc/33/70/31/606337031.db2.gz DUMJJGFWTMIQRQ-UHFFFAOYSA-N -1 3 282.307 2.033 20 30 CEEDHM C#CCOc1cccc(Oc2ncccc2-c2nnn[n-]2)c1 ZINC000819709490 606431469 /nfs/dbraw/zinc/43/14/69/606431469.db2.gz GSQAKOXKVSKJCQ-UHFFFAOYSA-N -1 3 293.286 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CC#CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000801219620 631236476 /nfs/dbraw/zinc/23/64/76/631236476.db2.gz MPXBFFCUMYMKGK-UHFFFAOYSA-N -1 3 259.183 2.253 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC000898280493 632145987 /nfs/dbraw/zinc/14/59/87/632145987.db2.gz DBWUMSUAZLUTLH-RYUDHWBXSA-N -1 3 253.342 2.348 20 30 CEEDHM COC1(COC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000811184728 632353886 /nfs/dbraw/zinc/35/38/86/632353886.db2.gz SHIWEHSLGHKODL-UHFFFAOYSA-N -1 3 275.304 2.380 20 30 CEEDHM CC(C)(C#N)CCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184014 632354028 /nfs/dbraw/zinc/35/40/28/632354028.db2.gz FNNXHJIFQSLFFE-UHFFFAOYSA-N -1 3 258.277 2.361 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)OCC[C@@H]2CCCCO2)c1 ZINC000811187184 632355139 /nfs/dbraw/zinc/35/51/39/632355139.db2.gz LTLHJWTXEKSULU-AWEZNQCLSA-N -1 3 275.304 2.380 20 30 CEEDHM N#CCSCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187067 632355146 /nfs/dbraw/zinc/35/51/46/632355146.db2.gz ISSWHFLYGKNLIS-UHFFFAOYSA-N -1 3 276.317 2.068 20 30 CEEDHM Cc1ncc(CO)c(/C=N/Cc2cccc3c2OCC3)c1[O-] ZINC000899226961 632743479 /nfs/dbraw/zinc/74/34/79/632743479.db2.gz BWWPQAKLDOOCPQ-GIJQJNRQSA-N -1 3 298.342 2.142 20 30 CEEDHM N#C[C@@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000814816281 632903145 /nfs/dbraw/zinc/90/31/45/632903145.db2.gz MRVBIFBXDROFJM-CYBMUJFWSA-N -1 3 291.376 2.176 20 30 CEEDHM [O-]c1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1Cl ZINC000814885654 632914310 /nfs/dbraw/zinc/91/43/10/632914310.db2.gz GOMQUBJZFONRRN-QWRGUYRKSA-N -1 3 292.770 2.240 20 30 CEEDHM C#CC[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(C)C ZINC000815970844 633089432 /nfs/dbraw/zinc/08/94/32/633089432.db2.gz LLBOTFTXZBNFAG-GFCCVEGCSA-N -1 3 263.293 2.006 20 30 CEEDHM COC(=O)c1cc(C(=O)OCC(C)(C)CCC#N)c[n-]1 ZINC000816069852 633111738 /nfs/dbraw/zinc/11/17/38/633111738.db2.gz ZCKOSUBNCZSDLP-UHFFFAOYSA-N -1 3 278.308 2.288 20 30 CEEDHM CCCc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)sc1C ZINC000816756614 633472681 /nfs/dbraw/zinc/47/26/81/633472681.db2.gz ASCRYVAYPUKRKD-NSHDSACASA-N -1 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MJGRJEUMVMDMBO-MRVPVSSYSA-N -1 3 264.310 2.050 20 30 CEEDHM C=C[C@H](CC)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823883257 635299866 /nfs/dbraw/zinc/29/98/66/635299866.db2.gz MJGRJEUMVMDMBO-MRVPVSSYSA-N -1 3 264.310 2.050 20 30 CEEDHM C=CCCC[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823894628 635302921 /nfs/dbraw/zinc/30/29/21/635302921.db2.gz VEUFHDJRCBXLDX-SECBINFHSA-N -1 3 275.312 2.096 20 30 CEEDHM C=CCCC[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823894628 635302928 /nfs/dbraw/zinc/30/29/28/635302928.db2.gz VEUFHDJRCBXLDX-SECBINFHSA-N -1 3 275.312 2.096 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000824033947 635327826 /nfs/dbraw/zinc/32/78/26/635327826.db2.gz WHNXFIWPJCIZPO-VIFPVBQESA-N -1 3 282.271 2.289 20 30 CEEDHM C=C(C)CO[N-]C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000824232136 635381144 /nfs/dbraw/zinc/38/11/44/635381144.db2.gz FMFWOCHMFZODIZ-VIFPVBQESA-N -1 3 277.246 2.001 20 30 CEEDHM O=C(c1cnc2n1CCCC2)N([O-])Cc1ccc(F)cc1 ZINC000904173908 635492710 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O=C(NCC#Cc1cccc(F)c1)c1ccc(O)cc1[O-] ZINC000436653020 377827081 /nfs/dbraw/zinc/82/70/81/377827081.db2.gz BRLUAGNCZZZRGG-UHFFFAOYSA-N -1 3 285.274 2.018 20 30 CEEDHM CC#CCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436986366 377835467 /nfs/dbraw/zinc/83/54/67/377835467.db2.gz FQBNSQFSGMWOLC-UHFFFAOYSA-N -1 3 257.333 2.414 20 30 CEEDHM C=CCOc1ccc(CC(=O)[N-]OCCSC)cc1 ZINC000295075213 378040434 /nfs/dbraw/zinc/04/04/34/378040434.db2.gz CWSQGBPSRUGXSM-UHFFFAOYSA-N -1 3 281.377 2.205 20 30 CEEDHM Cc1c(C#N)cccc1NC(=O)NCc1ncccc1[O-] ZINC000346909622 218056669 /nfs/dbraw/zinc/05/66/69/218056669.db2.gz LTZVRNMFZHSJEL-UHFFFAOYSA-N -1 3 282.303 2.289 20 30 CEEDHM CSc1nnc(NC(=O)C=Cc2ccc(C#N)cc2)[n-]1 ZINC000491350419 380309338 /nfs/dbraw/zinc/30/93/38/380309338.db2.gz JPSVJUXWSCLTIB-SREVYHEPSA-N -1 3 285.332 2.050 20 30 CEEDHM CSc1n[n-]c(NC(=O)C=Cc2ccc(C#N)cc2)n1 ZINC000491350419 380309346 /nfs/dbraw/zinc/30/93/46/380309346.db2.gz JPSVJUXWSCLTIB-SREVYHEPSA-N -1 3 285.332 2.050 20 30 CEEDHM CSc1nc(NC(=O)C=Cc2ccc(C#N)cc2)n[n-]1 ZINC000491350419 380309353 /nfs/dbraw/zinc/30/93/53/380309353.db2.gz JPSVJUXWSCLTIB-SREVYHEPSA-N -1 3 285.332 2.050 20 30 CEEDHM C=C[C@H](C)ON=C([O-])Nc1cccc(N2CCOC2=O)c1 ZINC000496167536 381201373 /nfs/dbraw/zinc/20/13/73/381201373.db2.gz LBIIAHYPOGAQRL-JTQLQIEISA-N -1 3 291.307 2.271 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000496167536 381201376 /nfs/dbraw/zinc/20/13/76/381201376.db2.gz LBIIAHYPOGAQRL-JTQLQIEISA-N -1 3 291.307 2.271 20 30 CEEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)[C@H]1C ZINC000277024895 296442299 /nfs/dbraw/zinc/44/22/99/296442299.db2.gz NHZRQUFSTNJPSJ-GRYCIOLGSA-N -1 3 293.392 2.056 20 30 CEEDHM COCc1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000353515249 533290579 /nfs/dbraw/zinc/29/05/79/533290579.db2.gz CYPGJICJOSNQEJ-VIFPVBQESA-N -1 3 273.317 2.175 20 30 CEEDHM CC(C)[C@@H](C#N)NC(=O)c1cc([O-])ccc1Cl ZINC000232716212 394480917 /nfs/dbraw/zinc/48/09/17/394480917.db2.gz XUNGUJOOWNHEHZ-LLVKDONJSA-N -1 3 252.701 2.324 20 30 CEEDHM N#Cc1cc(F)c(C(=O)[N-]c2nncn2C2CC2)c(F)c1 ZINC000356158817 394549903 /nfs/dbraw/zinc/54/99/03/394549903.db2.gz IKACKQSASBWIOF-UHFFFAOYSA-N -1 3 289.245 2.015 20 30 CEEDHM CCC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C1CCC1 ZINC000325450581 394550772 /nfs/dbraw/zinc/55/07/72/394550772.db2.gz PSZXOTVJIAYJPX-GFCCVEGCSA-N -1 3 293.392 2.200 20 30 CEEDHM CC(C)c1nnc([N-]C(=O)c2ccc(C#N)cn2)s1 ZINC000107438096 394727839 /nfs/dbraw/zinc/72/78/39/394727839.db2.gz DDTNJUIHMWFACF-UHFFFAOYSA-N -1 3 273.321 2.180 20 30 CEEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C ZINC000360186880 394792325 /nfs/dbraw/zinc/79/23/25/394792325.db2.gz CRZOYIFXJFSBEX-SNVBAGLBSA-N -1 3 298.364 2.056 20 30 CEEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000336728845 394871313 /nfs/dbraw/zinc/87/13/13/394871313.db2.gz WZPDCIPRDJZSNY-UHFFFAOYSA-N -1 3 270.379 2.254 20 30 CEEDHM C=C[C@@H](CC(=O)[N-]OCCCOC)c1ccccc1 ZINC000288128987 395054027 /nfs/dbraw/zinc/05/40/27/395054027.db2.gz MOIVYSXQAZPEPJ-ZDUSSCGKSA-N -1 3 263.337 2.431 20 30 CEEDHM C#C[C@H]([N-]S(=O)(=O)c1sccc1OC)C(C)(C)C ZINC000287573492 395044165 /nfs/dbraw/zinc/04/41/65/395044165.db2.gz WZGXVXJXPYBDJD-JTQLQIEISA-N -1 3 287.406 2.083 20 30 CEEDHM C=CCC(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000293289241 395227309 /nfs/dbraw/zinc/22/73/09/395227309.db2.gz FWHKHYRSLFFFAM-UHFFFAOYSA-N -1 3 285.351 2.085 20 30 CEEDHM C=CCC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000293289241 395227315 /nfs/dbraw/zinc/22/73/15/395227315.db2.gz FWHKHYRSLFFFAM-UHFFFAOYSA-N -1 3 285.351 2.085 20 30 CEEDHM N#CC(=C([O-])c1cnn2c1CCC2)c1nc2ccccc2[nH]1 ZINC000519685441 395207854 /nfs/dbraw/zinc/20/78/54/395207854.db2.gz UOXWWVLPSOXSDB-SNVBAGLBSA-N -1 3 291.314 2.196 20 30 CEEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]c(C#N)c1 ZINC000181391352 395214698 /nfs/dbraw/zinc/21/46/98/395214698.db2.gz GJWQPEOSIFFHCW-LBPRGKRZSA-N -1 3 289.298 2.263 20 30 CEEDHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000397206027 395220694 /nfs/dbraw/zinc/22/06/94/395220694.db2.gz TUSFQSDHEWNTEN-JQWIXIFHSA-N -1 3 284.406 2.333 20 30 CEEDHM N#C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000525864809 395271155 /nfs/dbraw/zinc/27/11/55/395271155.db2.gz DAJHIVQNDSMNGJ-CYBMUJFWSA-N -1 3 295.277 2.092 20 30 CEEDHM N#C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000525864809 395271159 /nfs/dbraw/zinc/27/11/59/395271159.db2.gz DAJHIVQNDSMNGJ-CYBMUJFWSA-N -1 3 295.277 2.092 20 30 CEEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000525864809 395271162 /nfs/dbraw/zinc/27/11/62/395271162.db2.gz DAJHIVQNDSMNGJ-CYBMUJFWSA-N -1 3 295.277 2.092 20 30 CEEDHM C#CCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000192228298 395376688 /nfs/dbraw/zinc/37/66/88/395376688.db2.gz OQZKYDWBKHDEAT-UHFFFAOYSA-N -1 3 251.713 2.313 20 30 CEEDHM CN(C(=O)c1ccc2n[n-]nc2c1)c1cccc(C#N)c1 ZINC000194909467 395452885 /nfs/dbraw/zinc/45/28/85/395452885.db2.gz ZUVRIFHOTSINFS-UHFFFAOYSA-N -1 3 277.287 2.106 20 30 CEEDHM Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1-n1cccc1 ZINC000049457395 400233573 /nfs/dbraw/zinc/23/35/73/400233573.db2.gz JKGJUWLSNVWJAH-LBPRGKRZSA-N -1 3 291.314 2.096 20 30 CEEDHM C=CCOc1cccnc1C(=O)Nc1nc(C)ccc1[O-] ZINC000345937846 400369740 /nfs/dbraw/zinc/36/97/40/400369740.db2.gz WOQNYFLBDGCABF-UHFFFAOYSA-N -1 3 285.303 2.308 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccs2)s1 ZINC000230334659 153389378 /nfs/dbraw/zinc/38/93/78/153389378.db2.gz IUEZKTNJOMXZDX-UHFFFAOYSA-N -1 3 284.387 2.160 20 30 CEEDHM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230336871 153391512 /nfs/dbraw/zinc/39/15/12/153391512.db2.gz CZENHCWOZZOEIP-IUCAKERBSA-N -1 3 272.395 2.333 20 30 CEEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000169268149 165038286 /nfs/dbraw/zinc/03/82/86/165038286.db2.gz VZSCWJDEMHCYIW-QMMMGPOBSA-N -1 3 284.768 2.288 20 30 CEEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(OC)ccc1[O-] ZINC000043327826 175009536 /nfs/dbraw/zinc/00/95/36/175009536.db2.gz SCTJYIFAVOPDID-JTQLQIEISA-N -1 3 262.309 2.023 20 30 CEEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1 ZINC000071598660 176222569 /nfs/dbraw/zinc/22/25/69/176222569.db2.gz COADTFZFPMEVGV-CYBMUJFWSA-N -1 3 266.366 2.044 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1cn(CC2CC2)c(CC)n1 ZINC000659975565 415819592 /nfs/dbraw/zinc/81/95/92/415819592.db2.gz XNUFIJFGHZYWKU-UHFFFAOYSA-N -1 3 297.424 2.100 20 30 CEEDHM N#CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000344814417 225185101 /nfs/dbraw/zinc/18/51/01/225185101.db2.gz PDPWZLXSYWZBJV-UHFFFAOYSA-N -1 3 276.311 2.369 20 30 CEEDHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1ccncn1 ZINC000354466162 227003706 /nfs/dbraw/zinc/00/37/06/227003706.db2.gz MLWTXWFJMJGULC-LBPRGKRZSA-N -1 3 291.270 2.017 20 30 CEEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)ccc1F ZINC000354467333 227004350 /nfs/dbraw/zinc/00/43/50/227004350.db2.gz LAYOOFBCCWIZTM-NSHDSACASA-N -1 3 255.252 2.414 20 30 CEEDHM C=CCCS(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187715947 260163371 /nfs/dbraw/zinc/16/33/71/260163371.db2.gz HNGZXVXUDUTSPI-SNVBAGLBSA-N -1 3 269.370 2.172 20 30 CEEDHM COc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c([O-])c1 ZINC000155106643 261098319 /nfs/dbraw/zinc/09/83/19/261098319.db2.gz XJOAFCUBWHXSRD-LBPRGKRZSA-N -1 3 262.309 2.069 20 30 CEEDHM Cc1cccc(CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)c1 ZINC000156675010 261128556 /nfs/dbraw/zinc/12/85/56/261128556.db2.gz VMPQXKFUCFUYTE-ZDUSSCGKSA-N -1 3 280.393 2.353 20 30 CEEDHM CO[C@@]1(C)C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000174033423 261554426 /nfs/dbraw/zinc/55/44/26/261554426.db2.gz JASACKYBDITMCU-GYDVKFCJSA-N -1 3 279.336 2.426 20 30 CEEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccccc1F ZINC000272378009 263003693 /nfs/dbraw/zinc/00/36/93/263003693.db2.gz HHDTWWKLZKSZRX-ZDUSSCGKSA-N -1 3 284.356 2.432 20 30 CEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000273988220 263020811 /nfs/dbraw/zinc/02/08/11/263020811.db2.gz WHJPWPXSAMUASJ-ZETCQYMHSA-N -1 3 292.282 2.074 20 30 CEEDHM CC1(C)CCCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H]1C#N ZINC000277497179 263041424 /nfs/dbraw/zinc/04/14/24/263041424.db2.gz JVXWADDNZWEBDT-CYBMUJFWSA-N -1 3 283.335 2.112 20 30 CEEDHM Cc1csc(C2([N-]S(=O)(=O)CCC#N)CCCC2)n1 ZINC000289266304 263108623 /nfs/dbraw/zinc/10/86/23/263108623.db2.gz YYDLOCWAFZHQLP-UHFFFAOYSA-N -1 3 299.421 2.054 20 30 CEEDHM C=CCCCS(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000291897715 263126544 /nfs/dbraw/zinc/12/65/44/263126544.db2.gz PXRIJIQNYTVHRV-UHFFFAOYSA-N -1 3 260.746 2.443 20 30 CEEDHM CC#CCN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000341057461 263320027 /nfs/dbraw/zinc/32/00/27/263320027.db2.gz ZPEIBMLKAMVJMP-UHFFFAOYSA-N -1 3 296.164 2.179 20 30 CEEDHM Cc1ccccc1-c1cc(=NC(=O)CSCC#N)[nH][n-]1 ZINC000342151211 263399754 /nfs/dbraw/zinc/39/97/54/263399754.db2.gz KMMYWZZRCXOSHI-UHFFFAOYSA-N -1 3 286.360 2.002 20 30 CEEDHM Cc1cccc(C(=O)N[C@H](CCO)C2CCOCC2)c1[O-] ZINC000331247979 264180432 /nfs/dbraw/zinc/18/04/32/264180432.db2.gz WKZNXKIRJJNVKE-CQSZACIVSA-N -1 3 293.363 2.183 20 30 CEEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C#N)C(C)C)c(F)c1 ZINC000331317371 264188254 /nfs/dbraw/zinc/18/82/54/264188254.db2.gz GDUXLPVJRJEGLT-ZDUSSCGKSA-N -1 3 284.356 2.102 20 30 CEEDHM C[C@H](C#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188940723 264263372 /nfs/dbraw/zinc/26/33/72/264263372.db2.gz YEJMVJHMHGAIHW-LLVKDONJSA-N -1 3 294.310 2.265 20 30 CEEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1 ZINC000357550762 266321055 /nfs/dbraw/zinc/32/10/55/266321055.db2.gz QBIGDEFIBSRINC-ZDUSSCGKSA-N -1 3 280.393 2.087 20 30 CEEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)c(F)c1 ZINC000357995034 266395464 /nfs/dbraw/zinc/39/54/64/266395464.db2.gz LCLUTMSRSVYEFG-GFCCVEGCSA-N -1 3 298.273 2.497 20 30 CEEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CC(C)(C)C#N ZINC000362824834 267051225 /nfs/dbraw/zinc/05/12/25/267051225.db2.gz FKORCSWTNSGTAZ-UHFFFAOYSA-N -1 3 293.323 2.292 20 30 CEEDHM N#C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1C1CC1 ZINC000371336720 267392428 /nfs/dbraw/zinc/39/24/28/267392428.db2.gz QOIFCVYBZROKLL-AWEZNQCLSA-N -1 3 291.782 2.218 20 30 CEEDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000546604113 298352436 /nfs/dbraw/zinc/35/24/36/298352436.db2.gz RJVNJNVAACTUMX-CMPLNLGQSA-N 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VBDAEIBFULNACO-UHFFFAOYSA-N -1 3 274.320 2.167 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000119117610 330370327 /nfs/dbraw/zinc/37/03/27/330370327.db2.gz BLPPAXFZUSFAJD-SNVBAGLBSA-N -1 3 258.325 2.433 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000119117610 330370328 /nfs/dbraw/zinc/37/03/28/330370328.db2.gz BLPPAXFZUSFAJD-SNVBAGLBSA-N -1 3 258.325 2.433 20 30 CEEDHM C=CCCC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000119117610 330370329 /nfs/dbraw/zinc/37/03/29/330370329.db2.gz BLPPAXFZUSFAJD-SNVBAGLBSA-N -1 3 258.325 2.433 20 30 CEEDHM CCN(C[C@H](C)C#N)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448722038 330828868 /nfs/dbraw/zinc/82/88/68/330828868.db2.gz APMUOILWIQFRJW-SNVBAGLBSA-N -1 3 264.300 2.082 20 30 CEEDHM CC(C)(C)[C@H](C#N)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450117486 330962389 /nfs/dbraw/zinc/96/23/89/330962389.db2.gz TXRULZIYBLFTMG-LBPRGKRZSA-N -1 3 264.300 2.128 20 30 CEEDHM C=CCN1CCC(N=c2[n-]c(C(C)=O)c(C)s2)CC1 ZINC000450321223 330972527 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332329294 /nfs/dbraw/zinc/32/92/94/332329294.db2.gz QFORFJROOISVFY-SNVBAGLBSA-N -1 3 276.292 2.092 20 30 CEEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1ccccc1NC(C)=O ZINC000491804622 332358519 /nfs/dbraw/zinc/35/85/19/332358519.db2.gz MEMUJRIKSJRNMM-LLVKDONJSA-N -1 3 294.301 2.265 20 30 CEEDHM C=C(C)CO[N-]C(=O)C(C)=C1CN(C(=O)OC(C)(C)C)C1 ZINC000496488552 332551134 /nfs/dbraw/zinc/55/11/34/332551134.db2.gz USGCVROAAAQUER-UHFFFAOYSA-N -1 3 296.367 2.178 20 30 CEEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000184569722 333130156 /nfs/dbraw/zinc/13/01/56/333130156.db2.gz HZBLCNPUWSNGJA-NSHDSACASA-N -1 3 285.351 2.331 20 30 CEEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000184569722 333130158 /nfs/dbraw/zinc/13/01/58/333130158.db2.gz HZBLCNPUWSNGJA-NSHDSACASA-N -1 3 285.351 2.331 20 30 CEEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000548884142 334178930 /nfs/dbraw/zinc/17/89/30/334178930.db2.gz TYTOYCLQJJGPHE-SNVBAGLBSA-N -1 3 274.299 2.278 20 30 CEEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000548884142 334178931 /nfs/dbraw/zinc/17/89/31/334178931.db2.gz TYTOYCLQJJGPHE-SNVBAGLBSA-N -1 3 274.299 2.278 20 30 CEEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000548884142 334178933 /nfs/dbraw/zinc/17/89/33/334178933.db2.gz TYTOYCLQJJGPHE-SNVBAGLBSA-N -1 3 274.299 2.278 20 30 CEEDHM N#CC1(CS(=O)(=O)[N-]Cc2cc3ccccc3o2)CC1 ZINC000164699951 334885608 /nfs/dbraw/zinc/88/56/08/334885608.db2.gz BCNBZPOUNNVJPA-UHFFFAOYSA-N -1 3 290.344 2.156 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(CC)ccc1[O-] ZINC000577483621 335356988 /nfs/dbraw/zinc/35/69/88/335356988.db2.gz AANJJWYVXHDXMP-WFASDCNBSA-N -1 3 275.348 2.276 20 30 CEEDHM C=CCSCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000194483464 336026814 /nfs/dbraw/zinc/02/68/14/336026814.db2.gz JWASJZSRBXTIBL-UHFFFAOYSA-N -1 3 288.372 2.177 20 30 CEEDHM Cc1cc(C(C#N)=C([O-])c2ccnn2CC(C)C)nc(C)n1 ZINC000581369134 336062847 /nfs/dbraw/zinc/06/28/47/336062847.db2.gz GVXGHJFCLIOXDD-CYBMUJFWSA-N -1 3 297.362 2.436 20 30 CEEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000384894356 336133785 /nfs/dbraw/zinc/13/37/85/336133785.db2.gz ZJOWYCCQMYTKPO-UHFFFAOYSA-N -1 3 270.379 2.110 20 30 CEEDHM C=CCOCCCC(=O)[N-]Oc1ccccc1F ZINC000874911170 649868314 /nfs/dbraw/zinc/86/83/14/649868314.db2.gz HKUUIEGCOLYQHE-UHFFFAOYSA-N -1 3 253.273 2.219 20 30 CEEDHM Cc1ccc(-c2cc(C(=O)Nc3n[nH]c(C)c3C#N)n[n-]2)o1 ZINC000357236317 534181151 /nfs/dbraw/zinc/18/11/51/534181151.db2.gz CJCYZQFSYYJAKA-UHFFFAOYSA-N -1 3 296.290 2.134 20 30 CEEDHM Cc1ccc(-c2cc(C(=O)Nc3n[nH]c(C)c3C#N)[n-]n2)o1 ZINC000357236317 534181157 /nfs/dbraw/zinc/18/11/57/534181157.db2.gz CJCYZQFSYYJAKA-UHFFFAOYSA-N -1 3 296.290 2.134 20 30 CEEDHM COc1ccc([O-])c(C(=O)NCc2cccc(C#N)c2)c1 ZINC000055464107 534195874 /nfs/dbraw/zinc/19/58/74/534195874.db2.gz TZZIVIDLEWVCCM-UHFFFAOYSA-N -1 3 282.299 2.202 20 30 CEEDHM CCc1cc2c(CN(C)CC#N)cc(=O)oc2cc1[O-] ZINC000068972935 523845493 /nfs/dbraw/zinc/84/54/93/523845493.db2.gz OVDMKYNKXSHIMZ-UHFFFAOYSA-N -1 3 272.304 2.016 20 30 CEEDHM CC(=NNCCN1CCCCC1)c1ccc([O-])c(F)c1 ZINC000728430006 574466124 /nfs/dbraw/zinc/46/61/24/574466124.db2.gz WRKIBCVWDCLZTB-UHFFFAOYSA-N -1 3 279.359 2.331 20 30 CEEDHM N#Cc1cnccc1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000730088260 574501068 /nfs/dbraw/zinc/50/10/68/574501068.db2.gz AQPNDJFRHORRAP-UHFFFAOYSA-N -1 3 293.113 2.329 20 30 CEEDHM O=C(N[O-])C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000732621470 574624541 /nfs/dbraw/zinc/62/45/41/574624541.db2.gz KRTSOBWTCYWDNL-UHFFFAOYSA-N -1 3 298.342 2.197 20 30 CEEDHM COc1cccc([O-])c1/C=N/CCN(C)CC(F)(F)F ZINC000732622655 574624658 /nfs/dbraw/zinc/62/46/58/574624658.db2.gz VURMEBDRMOBGLK-CAOOACKPSA-N -1 3 290.285 2.314 20 30 CEEDHM COc1cccc([O-])c1/C=N/CCOc1cccnc1 ZINC000733904169 574690174 /nfs/dbraw/zinc/69/01/74/574690174.db2.gz VRPOWWOSJCQUDO-GZTJUZNOSA-N -1 3 272.304 2.294 20 30 CEEDHM O=C1NCCc2ccc(N=Cc3cccc([O-])c3O)cc21 ZINC000735229199 574747244 /nfs/dbraw/zinc/74/72/44/574747244.db2.gz UZQAOQGYNYOBAZ-UHFFFAOYSA-N -1 3 282.299 2.134 20 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294.293 2.490 20 30 CEEDHM Cc1noc(C)c1CCN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738944324 574886578 /nfs/dbraw/zinc/88/65/78/574886578.db2.gz WFIHQABPWFHBJJ-HNNXBMFYSA-N -1 3 299.330 2.121 20 30 CEEDHM COCc1c(C(=O)N[O-])sc2cccc(F)c21 ZINC000743797950 575109671 /nfs/dbraw/zinc/10/96/71/575109671.db2.gz JESSFEQVFUSNFC-UHFFFAOYSA-N -1 3 255.270 2.306 20 30 CEEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCCC1 ZINC000743448941 575104310 /nfs/dbraw/zinc/10/43/10/575104310.db2.gz IEZPUYOMZUBLCU-UHFFFAOYSA-N -1 3 280.393 2.469 20 30 CEEDHM O=C1CN(N=Cc2sc3ccccc3c2Cl)C(=O)[N-]1 ZINC000744810680 575127059 /nfs/dbraw/zinc/12/70/59/575127059.db2.gz VOHAOLCXXLDQEI-UHFFFAOYSA-N -1 3 293.735 2.440 20 30 CEEDHM COC(=O)c1cc(/C=C/C(=O)c2cccc([O-])c2)c[nH]1 ZINC000753136458 575320450 /nfs/dbraw/zinc/32/04/50/575320450.db2.gz XEJKZUVIUGRZBX-AATRIKPKSA-N -1 3 271.272 2.403 20 30 CEEDHM C(=Cc1ccco1)C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819709317 607253037 /nfs/dbraw/zinc/25/30/37/607253037.db2.gz CCLVBYRZQZVIHN-XGZNWBDESA-N 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NRLGPTOCKFKJEH-HWKANZROSA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000822825744 607458752 /nfs/dbraw/zinc/45/87/52/607458752.db2.gz NRLGPTOCKFKJEH-HWKANZROSA-N -1 3 292.277 2.443 20 30 CEEDHM O=C([O-])[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000819280879 601412985 /nfs/dbraw/zinc/41/29/85/601412985.db2.gz GCLBZTJTGSNQCZ-GFCCVEGCSA-N -1 3 263.724 2.098 20 30 CEEDHM CCN(CCC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000829701546 601530189 /nfs/dbraw/zinc/53/01/89/601530189.db2.gz DSDRRDSKSOHROF-UHFFFAOYSA-N -1 3 298.289 2.456 20 30 CEEDHM C[C@](CNC(=O)[O-])(NCc1ccc(C#N)cc1F)C1CC1 ZINC000824952379 604341337 /nfs/dbraw/zinc/34/13/37/604341337.db2.gz OKGRBKLSVYWINY-OAHLLOKOSA-N -1 3 291.326 2.223 20 30 CEEDHM C#CCOc1ccccc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000833366713 604649353 /nfs/dbraw/zinc/64/93/53/604649353.db2.gz GLXAAKWUPDOJJA-HNNXBMFYSA-N -1 3 299.370 2.385 20 30 CEEDHM C=C(C)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000819722208 606018566 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606236441 /nfs/dbraw/zinc/23/64/41/606236441.db2.gz XRRNJBZJHIHTCC-UHFFFAOYSA-N -1 3 272.308 2.266 20 30 CEEDHM C=CCCCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000819740322 606236445 /nfs/dbraw/zinc/23/64/45/606236445.db2.gz XRRNJBZJHIHTCC-UHFFFAOYSA-N -1 3 272.308 2.266 20 30 CEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)/C(C)=C\C ZINC000819742853 606282299 /nfs/dbraw/zinc/28/22/99/606282299.db2.gz AUWVCQOVNAYHIQ-XGICHPGQSA-N -1 3 297.362 2.348 20 30 CEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)/C(C)=C\C ZINC000819742853 606282300 /nfs/dbraw/zinc/28/23/00/606282300.db2.gz AUWVCQOVNAYHIQ-XGICHPGQSA-N -1 3 297.362 2.348 20 30 CEEDHM C=CCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734949 606345350 /nfs/dbraw/zinc/34/53/50/606345350.db2.gz YAXHRVHTWPQTTM-SNVBAGLBSA-N -1 3 272.308 2.437 20 30 CEEDHM C=CCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734949 606345351 /nfs/dbraw/zinc/34/53/51/606345351.db2.gz YAXHRVHTWPQTTM-SNVBAGLBSA-N -1 3 272.308 2.437 20 30 CEEDHM N#Cc1ccn(CCCOc2cccc(-c3nnn[n-]3)c2)c1 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C=C(CC)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823878102 608320079 /nfs/dbraw/zinc/32/00/79/608320079.db2.gz ORUVWTPWHNHWBI-UHFFFAOYSA-N -1 3 272.308 2.298 20 30 CEEDHM C=C(CC)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823878102 608320081 /nfs/dbraw/zinc/32/00/81/608320081.db2.gz ORUVWTPWHNHWBI-UHFFFAOYSA-N -1 3 272.308 2.298 20 30 CEEDHM C[C@H](C#N)CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824035537 608367193 /nfs/dbraw/zinc/36/71/93/608367193.db2.gz ZKJBNAFEXKVEAD-MRVPVSSYSA-N -1 3 276.731 2.116 20 30 CEEDHM C[C@H](C#N)CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824035537 608367195 /nfs/dbraw/zinc/36/71/95/608367195.db2.gz ZKJBNAFEXKVEAD-MRVPVSSYSA-N -1 3 276.731 2.116 20 30 CEEDHM C=CCCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC000823894307 608588631 /nfs/dbraw/zinc/58/86/31/608588631.db2.gz MXYBAMFAIRWPQU-JTQLQIEISA-N -1 3 258.329 2.418 20 30 CEEDHM C=CCCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC000823894307 608588632 /nfs/dbraw/zinc/58/86/32/608588632.db2.gz MXYBAMFAIRWPQU-JTQLQIEISA-N -1 3 258.329 2.418 20 30 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O=C1[C@H](NCc2cccc(Cl)c2Cl)CCCN1[O-] ZINC000895166553 629990814 /nfs/dbraw/zinc/99/08/14/629990814.db2.gz RQOHTNHRMKFWTH-SNVBAGLBSA-N -1 3 289.162 2.463 20 30 CEEDHM C=C1CC(C)(c2noc(-c3ccc(C(=O)OC)[n-]3)n2)C1 ZINC000896920036 630811754 /nfs/dbraw/zinc/81/17/54/630811754.db2.gz GDZMIBBXJQXYMA-UHFFFAOYSA-N -1 3 273.292 2.459 20 30 CEEDHM N#Cc1ccccc1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800263135 631103386 /nfs/dbraw/zinc/10/33/86/631103386.db2.gz RZNCZKMNZIPJKT-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1ccccc1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800263135 631103389 /nfs/dbraw/zinc/10/33/89/631103389.db2.gz RZNCZKMNZIPJKT-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM N#Cc1ccccc1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800263135 631103390 /nfs/dbraw/zinc/10/33/90/631103390.db2.gz RZNCZKMNZIPJKT-UHFFFAOYSA-N -1 3 296.261 2.326 20 30 CEEDHM CCOC(=O)C/N=C/c1cc(Br)ccc1[O-] ZINC000008476484 631778383 /nfs/dbraw/zinc/77/83/83/631778383.db2.gz CXKJXTORACSGFY-AWNIVKPZSA-N -1 3 286.125 2.137 20 30 CEEDHM 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HENBVUQTOXNJRK-UHFFFAOYSA-N -1 3 276.311 2.416 20 30 CEEDHM C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000334999961 225391203 /nfs/dbraw/zinc/39/12/03/225391203.db2.gz MKTJCAWUUVRIQP-ZCFIWIBFSA-N -1 3 279.148 2.184 20 30 CEEDHM N#CC(=C([O-])c1ccccc1-n1cccn1)c1ccncn1 ZINC000354468801 227005434 /nfs/dbraw/zinc/00/54/34/227005434.db2.gz PQTKADYPNFCLEA-CYBMUJFWSA-N -1 3 289.298 2.152 20 30 CEEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)NC1CCC(F)(F)CC1 ZINC000329053741 227275953 /nfs/dbraw/zinc/27/59/53/227275953.db2.gz XFWMLZVBFZCTEY-ZETCQYMHSA-N -1 3 275.255 2.164 20 30 CEEDHM CCOc1nc2cc(C(=O)N[C@H]3CCC[C@@H]3C#N)ccc2[n-]1 ZINC000332217627 228152551 /nfs/dbraw/zinc/15/25/51/228152551.db2.gz IAORYCYQETVDJH-NEPJUHHUSA-N -1 3 298.346 2.384 20 30 CEEDHM CCOc1nc2ccc(C(=O)N[C@H]3CCC[C@@H]3C#N)cc2[n-]1 ZINC000332217627 228152553 /nfs/dbraw/zinc/15/25/53/228152553.db2.gz IAORYCYQETVDJH-NEPJUHHUSA-N -1 3 298.346 2.384 20 30 CEEDHM N#CCc1ccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000332363131 228157040 /nfs/dbraw/zinc/15/70/40/228157040.db2.gz VKBBZWXFLYWRPO-AWEZNQCLSA-N -1 3 298.346 2.221 20 30 CEEDHM C=C(C)CN1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188454981 260142837 /nfs/dbraw/zinc/14/28/37/260142837.db2.gz BAPIMZAPAKMDLI-UHFFFAOYSA-N -1 3 299.374 2.034 20 30 CEEDHM C=C[C@@H](C)ON=C([O-])Nc1ccc(N2CCOC2=O)cc1 ZINC000497257145 262125645 /nfs/dbraw/zinc/12/56/45/262125645.db2.gz LRWUCMVKNBSTEG-SNVBAGLBSA-N -1 3 291.307 2.271 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000497257145 262125648 /nfs/dbraw/zinc/12/56/48/262125648.db2.gz LRWUCMVKNBSTEG-SNVBAGLBSA-N -1 3 291.307 2.271 20 30 CEEDHM CCCN(CC#N)C(=O)c1cc([O-])ccc1Cl ZINC000233035406 262511432 /nfs/dbraw/zinc/51/14/32/262511432.db2.gz ABFIWYOVFMHJAW-UHFFFAOYSA-N -1 3 252.701 2.421 20 30 CEEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccs1 ZINC000272440026 263004423 /nfs/dbraw/zinc/00/44/23/263004423.db2.gz OLKWACFDNAQINE-NSHDSACASA-N -1 3 272.395 2.355 20 30 CEEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(C)(C#N)CC2)n1 ZINC000279046789 263052665 /nfs/dbraw/zinc/05/26/65/263052665.db2.gz GTKYPHKXUHDMEQ-NSHDSACASA-N -1 3 260.341 2.177 20 30 CEEDHM N#C[C@H]1CN(Cc2cc([O-])cc(C(F)(F)F)c2)CCO1 ZINC000290321620 263116204 /nfs/dbraw/zinc/11/62/04/263116204.db2.gz BSRPZEHOBRVYJL-LBPRGKRZSA-N -1 3 286.253 2.135 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nnc(C)s1 ZINC000293423564 263140082 /nfs/dbraw/zinc/14/00/82/263140082.db2.gz HCSLCIZPIPUWRQ-LURJTMIESA-N -1 3 261.297 2.235 20 30 CEEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000299429387 263241672 /nfs/dbraw/zinc/24/16/72/263241672.db2.gz BWCHBRPOEMPGLC-SSDOTTSWSA-N -1 3 276.720 2.060 20 30 CEEDHM C#C[C@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000874860964 649857329 /nfs/dbraw/zinc/85/73/29/649857329.db2.gz ACOWJAACBBFKGD-XYPYZODXSA-N -1 3 259.305 2.020 20 30 CEEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)CCc1ccccc1 ZINC000357550757 266321116 /nfs/dbraw/zinc/32/11/16/266321116.db2.gz QBIGDEFIBSRINC-CYBMUJFWSA-N -1 3 280.393 2.087 20 30 CEEDHM Cc1cccc(C(=O)NCC(=O)c2ccc(C#N)cc2)c1[O-] ZINC000436698394 268050236 /nfs/dbraw/zinc/05/02/36/268050236.db2.gz MFJBFXNJFLLUEP-UHFFFAOYSA-N -1 3 294.310 2.185 20 30 CEEDHM N#Cc1cccc(/C=C\C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000492917360 268268038 /nfs/dbraw/zinc/26/80/38/268268038.db2.gz CRHIASPFRAQDDT-FPLPWBNLSA-N -1 3 288.310 2.280 20 30 CEEDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157524531 289215852 /nfs/dbraw/zinc/21/58/52/289215852.db2.gz ONZGKFYRTAAGHY-VIFPVBQESA-N -1 3 282.340 2.164 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C=CCCC1 ZINC000157938265 289225367 /nfs/dbraw/zinc/22/53/67/289225367.db2.gz WMLSELJEIJUKSA-ZDUSSCGKSA-N -1 3 299.374 2.021 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403343343 289289705 /nfs/dbraw/zinc/28/97/05/289289705.db2.gz UWGWMMTVFFFJEC-OUAUKWLOSA-N -1 3 296.417 2.334 20 30 CEEDHM COc1ccc([O-])c(NC(=O)c2ncc(C#N)cc2C)c1 ZINC000551915826 298463441 /nfs/dbraw/zinc/46/34/41/298463441.db2.gz SLJYWJSRIQVVLC-UHFFFAOYSA-N -1 3 283.287 2.228 20 30 CEEDHM C[C@]1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC=CCC1 ZINC000563525861 298782038 /nfs/dbraw/zinc/78/20/38/298782038.db2.gz LZVFAYYLBXROGB-AWEZNQCLSA-N -1 3 294.351 2.474 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC12CC2 ZINC000579330842 314573664 /nfs/dbraw/zinc/57/36/64/314573664.db2.gz HQWPHCSTOWNYMT-LBPRGKRZSA-N -1 3 299.374 2.125 20 30 CEEDHM C=CCC(C)(C)CNC(=O)c1c[n-]c2ccncc2c1=O ZINC000412358106 328109459 /nfs/dbraw/zinc/10/94/59/328109459.db2.gz GBEQPUUSGVJLQX-UHFFFAOYSA-N -1 3 285.347 2.255 20 30 CEEDHM CCC(CC)(C/N=C/c1ccc(O)c([O-])c1O)OC ZINC000291834250 328266673 /nfs/dbraw/zinc/26/66/73/328266673.db2.gz GFZLNOYKCGVQIO-OVCLIPMQSA-N -1 3 267.325 2.428 20 30 CEEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])C1CC1 ZINC000575322605 335093668 /nfs/dbraw/zinc/09/36/68/335093668.db2.gz NFUUOIQFTWCMEM-CQSZACIVSA-N -1 3 290.319 2.446 20 30 CEEDHM C=C[C@@H](CO)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000289722998 327581839 /nfs/dbraw/zinc/58/18/39/327581839.db2.gz FSWZNLKDWVWKFY-VIFPVBQESA-N -1 3 262.136 2.336 20 30 CEEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000183266426 329248969 /nfs/dbraw/zinc/24/89/69/329248969.db2.gz RGSAFWAKXFYPOG-VIFPVBQESA-N -1 3 253.273 2.451 20 30 CEEDHM C[C@H](CC#N)NC(=O)Cc1ccc([O-])cc1Cl ZINC000127940277 329603541 /nfs/dbraw/zinc/60/35/41/329603541.db2.gz ZCUVVZYHBRVDED-MRVPVSSYSA-N -1 3 252.701 2.006 20 30 CEEDHM C=CCC1(CN=c2[n-]c(C(N)=O)cs2)CCCC1 ZINC000450848123 331002601 /nfs/dbraw/zinc/00/26/01/331002601.db2.gz TWGUKKUFIPAEPT-UHFFFAOYSA-N -1 3 265.382 2.212 20 30 CEEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000451392983 331027278 /nfs/dbraw/zinc/02/72/78/331027278.db2.gz NMUYFKMCXVPAOP-LRDDRELGSA-N -1 3 293.338 2.171 20 30 CEEDHM C=CCn1c([C@@]2(C)CCCO2)n[n-]c1=NC(C)(C)C ZINC000453434334 331131585 /nfs/dbraw/zinc/13/15/85/331131585.db2.gz FLJFJWLOWPUAFW-CQSZACIVSA-N -1 3 264.373 2.122 20 30 CEEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(C)cc1[O-] ZINC000456268870 331188279 /nfs/dbraw/zinc/18/82/79/331188279.db2.gz SVUZSSZPEQKZFT-OCCSQVGLSA-N -1 3 261.321 2.164 20 30 CEEDHM C=CCC[C@H](CO)NC(=O)c1cc(CC)ccc1[O-] ZINC000456768867 331202041 /nfs/dbraw/zinc/20/20/41/331202041.db2.gz OXDANWRAMXFKGB-GFCCVEGCSA-N -1 3 263.337 2.012 20 30 CEEDHM C#CCN(Cc1ccccc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000491219910 332168267 /nfs/dbraw/zinc/16/82/67/332168267.db2.gz IJMCFUAGLNCUBJ-UHFFFAOYSA-N -1 3 290.326 2.234 20 30 CEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000491688320 332286204 /nfs/dbraw/zinc/28/62/04/332286204.db2.gz ANFQOFGXVJDSOF-SNVBAGLBSA-N -1 3 271.320 2.055 20 30 CEEDHM C#C[C@@H](C)N(C)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000491688320 332286205 /nfs/dbraw/zinc/28/62/05/332286205.db2.gz ANFQOFGXVJDSOF-SNVBAGLBSA-N -1 3 271.320 2.055 20 30 CEEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000194733290 333276840 /nfs/dbraw/zinc/27/68/40/333276840.db2.gz JFVCKLXQQSSOSR-ZETCQYMHSA-N -1 3 276.720 2.060 20 30 CEEDHM Cc1ccc(C(=O)N2CCC(C)(C#N)CC2)c([O-])c1 ZINC000227516416 333284238 /nfs/dbraw/zinc/28/42/38/333284238.db2.gz SKOMIMBLQYWSMT-UHFFFAOYSA-N -1 3 258.321 2.467 20 30 CEEDHM COc1ccc(C(=O)N2CCC(C)(C#N)CC2)c([O-])c1 ZINC000227520453 333284612 /nfs/dbraw/zinc/28/46/12/333284612.db2.gz KZAXIBSPRKUVDY-UHFFFAOYSA-N -1 3 274.320 2.167 20 30 CEEDHM C=C[C@@H]1CCCCN1C(=O)N=c1cc2ccccn2[n-]1 ZINC000554412115 334429276 /nfs/dbraw/zinc/42/92/76/334429276.db2.gz NOJHZXSGMKBXRC-GFCCVEGCSA-N -1 3 270.336 2.329 20 30 CEEDHM C=C[C@](C)(CCOC)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350525046 335509771 /nfs/dbraw/zinc/50/97/71/335509771.db2.gz MRNWGNYOBIGAJG-OAHLLOKOSA-N -1 3 299.334 2.488 20 30 CEEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1ncccc1[O-] ZINC000581516060 336092759 /nfs/dbraw/zinc/09/27/59/336092759.db2.gz UVXNIRPBDDBFGF-UHFFFAOYSA-N -1 3 288.347 2.451 20 30 CEEDHM C=CCN(C)C(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC000336627377 527569076 /nfs/dbraw/zinc/56/90/76/527569076.db2.gz GLKHCGCGMMFRSI-UHFFFAOYSA-N -1 3 256.305 2.095 20 30 CEEDHM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000353659545 528397693 /nfs/dbraw/zinc/39/76/93/528397693.db2.gz YSICMPPSHCTWSG-LLVKDONJSA-N -1 3 268.320 2.429 20 30 CEEDHM C[C@@H]1COCCN1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000729148580 574480789 /nfs/dbraw/zinc/48/07/89/574480789.db2.gz CCJNPWGQFFSSJF-LKBVRNOZSA-N -1 3 282.771 2.185 20 30 CEEDHM CN(Cc1ccc(C#N)cc1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739706379 574507624 /nfs/dbraw/zinc/50/76/24/574507624.db2.gz WOVZMPAXWZCNAD-OAHLLOKOSA-N -1 3 287.363 2.380 20 30 CEEDHM C#CCN1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000730279164 574513295 /nfs/dbraw/zinc/51/32/95/574513295.db2.gz JLCFRECAVINRMH-LBPRGKRZSA-N -1 3 278.739 2.082 20 30 CEEDHM N#CCN1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000730434113 574519760 /nfs/dbraw/zinc/51/97/60/574519760.db2.gz GAYKKNGLZAXIFA-YVLHZVERSA-N -1 3 277.755 2.452 20 30 CEEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737718453 574525216 /nfs/dbraw/zinc/52/52/16/574525216.db2.gz JLGMRMKYFDRMOD-UHFFFAOYSA-N -1 3 276.303 2.350 20 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ZINC001148589890 814592232 /nfs/dbraw/zinc/59/22/32/814592232.db2.gz PSHKLUMXBUTTBM-VIFPVBQESA-N -1 3 298.298 2.166 20 30 CEEDHM CC(=O)c1cc(C(=O)NCCCCC#N)ccc1[O-] ZINC001148669485 814604446 /nfs/dbraw/zinc/60/44/46/814604446.db2.gz YKKKXYVVRQJNQM-UHFFFAOYSA-N -1 3 260.293 2.018 20 30 CEEDHM N#Cc1cnc2ccnn2c1Nc1c(F)cc([O-])cc1F ZINC001175095409 816137457 /nfs/dbraw/zinc/13/74/57/816137457.db2.gz GWHZGBAJUMETIV-UHFFFAOYSA-N -1 3 287.229 2.328 20 30 CEEDHM N#Cc1ccc([O-])c(Nc2cnc3n[nH]cc3c2)c1 ZINC001175403328 816190048 /nfs/dbraw/zinc/19/00/48/816190048.db2.gz GOTKECYZOVNCRR-UHFFFAOYSA-N -1 3 251.249 2.279 20 30 CEEDHM COc1cccnc1CCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001175499891 816214968 /nfs/dbraw/zinc/21/49/68/816214968.db2.gz PYIHLCPBFVPMNX-UHFFFAOYSA-N -1 3 297.314 2.239 20 30 CEEDHM CCOc1ncc(Nc2cc(C#N)ccc2[O-])cn1 ZINC001175559909 816233682 /nfs/dbraw/zinc/23/36/82/816233682.db2.gz MCIMPRXYQRVNHH-UHFFFAOYSA-N -1 3 256.265 2.196 20 30 CEEDHM Cc1nc(CC(=O)Nc2ccc([O-])c(C#N)c2)cs1 ZINC001176130221 816358889 /nfs/dbraw/zinc/35/88/89/816358889.db2.gz LEFVVWCTGXNGMF-UHFFFAOYSA-N -1 3 273.317 2.210 20 30 CEEDHM N#Cc1cc(NC(=O)c2cccc3c2OCC3)ccc1[O-] ZINC001149180603 816838264 /nfs/dbraw/zinc/83/82/64/816838264.db2.gz BRZHQKYYUIIQGY-UHFFFAOYSA-N -1 3 280.283 2.451 20 30 CEEDHM Cc1ccc(S(=O)(=O)[N-]C2(C#N)CCCCC2)o1 ZINC000336397090 365569601 /nfs/dbraw/zinc/56/96/01/365569601.db2.gz OEPKDAVUZFWBRG-UHFFFAOYSA-N -1 3 268.338 2.093 20 30 CEEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000040362484 361991277 /nfs/dbraw/zinc/99/12/77/361991277.db2.gz GYWRSQALTBPVIN-LURJTMIESA-N -1 3 279.148 2.184 20 30 CEEDHM C=CC1CCN(C(=O)c2ccc3[nH][n-]c(=O)c3c2)CC1 ZINC000668569303 539200782 /nfs/dbraw/zinc/20/07/82/539200782.db2.gz XAWDJZCQLCBBPI-UHFFFAOYSA-N -1 3 271.320 2.307 20 30 CEEDHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601824009 346911458 /nfs/dbraw/zinc/91/14/58/346911458.db2.gz SWHXRQJGPOETKD-DGCLKSJQSA-N -1 3 258.321 2.465 20 30 CEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000126348027 365707588 /nfs/dbraw/zinc/70/75/88/365707588.db2.gz UJQNKRZLMXSSGD-LBPRGKRZSA-N -1 3 280.324 2.084 20 30 CEEDHM N#CC(=C([O-])c1ccccc1)c1nnc2n1CCCCC2 ZINC000035426723 343421815 /nfs/dbraw/zinc/42/18/15/343421815.db2.gz ARROFUOLXIKLSU-CYBMUJFWSA-N -1 3 280.331 2.495 20 30 CEEDHM N#CC(=C([O-])c1ccccc1)c1nnc2n1CCCCC2 ZINC000035426726 343421922 /nfs/dbraw/zinc/42/19/22/343421922.db2.gz ARROFUOLXIKLSU-ZDUSSCGKSA-N -1 3 280.331 2.495 20 30 CEEDHM CCc1cccc(C(=O)N(CCC#N)CCC#N)c1[O-] ZINC000094037379 344233319 /nfs/dbraw/zinc/23/33/19/344233319.db2.gz YRTGJAOVKDEAHV-UHFFFAOYSA-N -1 3 271.320 2.224 20 30 CEEDHM COc1ccc([O-])c(C(=O)NC2(C#N)CCCCC2)c1 ZINC000052076536 362463450 /nfs/dbraw/zinc/46/34/50/362463450.db2.gz SRRDCWBFKYQXAN-UHFFFAOYSA-N -1 3 274.320 2.357 20 30 CEEDHM C=C(C)CN1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589180053 345069211 /nfs/dbraw/zinc/06/92/11/345069211.db2.gz UJBPZPNBYJOHPA-UHFFFAOYSA-N -1 3 299.374 2.034 20 30 CEEDHM N#CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000588906265 345059209 /nfs/dbraw/zinc/05/92/09/345059209.db2.gz ULEUWHSWXVGLOV-UHFFFAOYSA-N -1 3 284.323 2.279 20 30 CEEDHM N#CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000588906265 345059211 /nfs/dbraw/zinc/05/92/11/345059211.db2.gz ULEUWHSWXVGLOV-UHFFFAOYSA-N -1 3 284.323 2.279 20 30 CEEDHM N#CCCCCS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906026 345059429 /nfs/dbraw/zinc/05/94/29/345059429.db2.gz DANFYQUHHUINQH-UHFFFAOYSA-N -1 3 280.340 2.178 20 30 CEEDHM CCC(C#N)=C([O-])N=c1ccn([C@@H](C)c2ccccc2)[nH]1 ZINC000593522071 345503077 /nfs/dbraw/zinc/50/30/77/345503077.db2.gz FAASZGYVDWGGEJ-STQMWFEESA-N -1 3 282.347 2.403 20 30 CEEDHM CCC(C#N)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000593894358 345549756 /nfs/dbraw/zinc/54/97/56/345549756.db2.gz ZUGCIDKOVRPRBD-MRVPVSSYSA-N -1 3 260.322 2.048 20 30 CEEDHM N#CC1(C[N-]S(=O)(=O)c2ccccc2F)CCCC1 ZINC000593621074 345514450 /nfs/dbraw/zinc/51/44/50/345514450.db2.gz MGMNNAFFEJWODS-UHFFFAOYSA-N -1 3 282.340 2.188 20 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GVOQHLCOSAJLSF-CYBMUJFWSA-N -1 3 284.356 2.183 20 30 CEEDHM CCc1cccc(C)c1[N-]S(=O)(=O)[C@H](C)C#N ZINC000088474720 179609802 /nfs/dbraw/zinc/60/98/02/179609802.db2.gz QRGWHYNXPIIKBA-SNVBAGLBSA-N -1 3 252.339 2.211 20 30 CEEDHM C=CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)COC ZINC000617581207 348743723 /nfs/dbraw/zinc/74/37/23/348743723.db2.gz NEWBDNSNJWOISR-GFCCVEGCSA-N -1 3 263.337 2.364 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000271355637 191092165 /nfs/dbraw/zinc/09/21/65/191092165.db2.gz HXPGKHRURAGGQB-UHFFFAOYSA-N -1 3 265.787 2.396 20 30 CEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c(C)cccc1[O-] ZINC000626833296 350797715 /nfs/dbraw/zinc/79/77/15/350797715.db2.gz XVKVSLQWDJDMDW-DOMZBBRYSA-N -1 3 275.348 2.412 20 30 CEEDHM C=CCC1(CNC(=O)c2cc(=O)[n-]cn2)CCCC1 ZINC000627661650 350903260 /nfs/dbraw/zinc/90/32/60/350903260.db2.gz GTMHSOZBGCAUOT-UHFFFAOYSA-N -1 3 261.325 2.049 20 30 CEEDHM C=CC[C@@H]1CCN(C(=O)c2ccc([O-])c(OC)c2)C1 ZINC000628490331 351115947 /nfs/dbraw/zinc/11/59/47/351115947.db2.gz WAZYHIVLYKXVHI-LLVKDONJSA-N -1 3 261.321 2.439 20 30 CEEDHM C=C(C)CN1CCC(NC(=O)c2ccc(F)cc2[O-])CC1 ZINC000123713895 187105982 /nfs/dbraw/zinc/10/59/82/187105982.db2.gz PXBBREHXYPJEKW-UHFFFAOYSA-N -1 3 292.354 2.302 20 30 CEEDHM N#Cc1cnccc1[N-]C(=O)c1cc(F)c(F)cc1F ZINC000336476469 213345912 /nfs/dbraw/zinc/34/59/12/213345912.db2.gz GZJPMVNXYVKYDF-UHFFFAOYSA-N -1 3 277.205 2.045 20 30 CEEDHM Cc1nc([N-]C(=O)c2csnn2)sc1SCC#N ZINC000337540486 366160431 /nfs/dbraw/zinc/16/04/31/366160431.db2.gz QDOKMGFGCXDDSD-UHFFFAOYSA-N -1 3 297.390 2.171 20 30 CEEDHM Cc1cccc(C(=O)N(CCC#N)CC2CC2)c1[O-] ZINC000088407680 363895352 /nfs/dbraw/zinc/89/53/52/363895352.db2.gz UUYZOKWDCBHIKB-UHFFFAOYSA-N -1 3 258.321 2.467 20 30 CEEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000088474788 363899222 /nfs/dbraw/zinc/89/92/22/363899222.db2.gz BMGIOPSNKUOXGH-SECBINFHSA-N -1 3 288.756 2.392 20 30 CEEDHM COc1cc(C([O-])=C(C#N)c2ccccn2)ccc1[N+](=O)[O-] ZINC000102118840 364587143 /nfs/dbraw/zinc/58/71/43/364587143.db2.gz ZVSIEQUSDDLKLU-LLVKDONJSA-N -1 3 297.270 2.488 20 30 CEEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(OCC)n1 ZINC000342571577 367427896 /nfs/dbraw/zinc/42/78/96/367427896.db2.gz RIPVDPKVTOWRDO-UHFFFAOYSA-N -1 3 292.364 2.256 20 30 CEEDHM C[C@H](C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000194622899 370058592 /nfs/dbraw/zinc/05/85/92/370058592.db2.gz WCPPWXTWEHRRME-SSDOTTSWSA-N -1 3 293.175 2.325 20 30 CEEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)cc(OC)c1C ZINC000354469358 370376749 /nfs/dbraw/zinc/37/67/49/370376749.db2.gz QRSFTKGIOAEGHT-GFCCVEGCSA-N -1 3 297.314 2.292 20 30 CEEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C#N ZINC000231751672 370492668 /nfs/dbraw/zinc/49/26/68/370492668.db2.gz YKBLYEHOQSAPCB-MRVPVSSYSA-N -1 3 292.282 2.177 20 30 CEEDHM C=C(C)[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)OCC ZINC000270096778 372663727 /nfs/dbraw/zinc/66/37/27/372663727.db2.gz YNTFOGYLCOVFGY-NSHDSACASA-N -1 3 290.323 2.375 20 30 CEEDHM C=C(C)[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)OCC ZINC000270096778 372663735 /nfs/dbraw/zinc/66/37/35/372663735.db2.gz YNTFOGYLCOVFGY-NSHDSACASA-N -1 3 290.323 2.375 20 30 CEEDHM C=C(C)[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)OCC ZINC000270096778 372663745 /nfs/dbraw/zinc/66/37/45/372663745.db2.gz YNTFOGYLCOVFGY-NSHDSACASA-N -1 3 290.323 2.375 20 30 CEEDHM C=CCCCN(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000270777235 372948561 /nfs/dbraw/zinc/94/85/61/372948561.db2.gz GJNJGSKGVKXAQK-UHFFFAOYSA-N -1 3 279.336 2.448 20 30 CEEDHM CC#CCCCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000274344329 373886831 /nfs/dbraw/zinc/88/68/31/373886831.db2.gz BZMLIMDZUBVTOB-LBPRGKRZSA-N -1 3 298.383 2.141 20 30 CEEDHM C=CCCC[N-]S(=O)(=O)c1cccc(C)c1F ZINC000279790427 374987574 /nfs/dbraw/zinc/98/75/74/374987574.db2.gz OHYUSIDGLBCVKQ-UHFFFAOYSA-N -1 3 257.330 2.379 20 30 CEEDHM C=CC[C@H](CC)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000281808569 375396369 /nfs/dbraw/zinc/39/63/69/375396369.db2.gz UMSQFMXDOLWKNU-NSHDSACASA-N -1 3 279.336 2.494 20 30 CEEDHM 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CCOC(=O)N1CC[C@H](/N=C/c2ccccc2[O-])C1 ZINC000184533653 262022475 /nfs/dbraw/zinc/02/24/75/262022475.db2.gz WCBJNLYMMPNEDC-DGGAMASNSA-N -1 3 262.309 2.042 20 30 CEEDHM CCCOc1ccc(/C=N/[C@H]2CCC(=O)N[C@H]2C)c([O-])c1 ZINC000281778460 263071969 /nfs/dbraw/zinc/07/19/69/263071969.db2.gz MUQBBMJVYFKEIJ-IKPPAZPXSA-N -1 3 290.363 2.267 20 30 CEEDHM CC[C@@](C)(C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000286803786 263099714 /nfs/dbraw/zinc/09/97/14/263099714.db2.gz RAUSNONSIZJJOI-ZDUSSCGKSA-N -1 3 250.273 2.087 20 30 CEEDHM CC[C@H](C)CO[N-]C(=O)Cc1cccc(OCC#N)c1 ZINC000292025354 263127355 /nfs/dbraw/zinc/12/73/55/263127355.db2.gz BPRNSIKZBXFZKJ-LBPRGKRZSA-N -1 3 276.336 2.225 20 30 CEEDHM COC(=O)C1(NC(=O)c2csc(=O)[n-]2)CCC(C)CC1 ZINC000330960561 264089064 /nfs/dbraw/zinc/08/90/64/264089064.db2.gz FMSFHGDWOWYUGY-UHFFFAOYSA-N -1 3 298.364 2.275 20 30 CEEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)C(F)F ZINC000451076583 267223398 /nfs/dbraw/zinc/22/33/98/267223398.db2.gz AFOPRSLKYPRSQK-JTQLQIEISA-N -1 3 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COc1cccc(C(=O)N2CCC(C)(C#N)CC2)c1[O-] ZINC000227517603 333284433 /nfs/dbraw/zinc/28/44/33/333284433.db2.gz HDIWEXREWVXWQT-UHFFFAOYSA-N -1 3 274.320 2.167 20 30 CEEDHM CC(C)N(CCC#N)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000523281711 333313949 /nfs/dbraw/zinc/31/39/49/333313949.db2.gz DKYGIVWVZIUYFB-UHFFFAOYSA-N -1 3 283.331 2.292 20 30 CEEDHM Cc1cc(NC(=O)c2cc(C)ccc2[O-])n(CCC#N)n1 ZINC000538745072 333623097 /nfs/dbraw/zinc/62/30/97/333623097.db2.gz PNCDZWDEUAEBJS-UHFFFAOYSA-N -1 3 284.319 2.372 20 30 CEEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000174869441 335168042 /nfs/dbraw/zinc/16/80/42/335168042.db2.gz YXJLGQNKPUTDBG-VIFPVBQESA-N -1 3 253.273 2.451 20 30 CEEDHM COCc1nc(C)c(C([O-])=C(C#N)c2ccccn2)s1 ZINC000136539019 334157231 /nfs/dbraw/zinc/15/72/31/334157231.db2.gz WSANTHUJCXLYAY-SNVBAGLBSA-N -1 3 287.344 2.483 20 30 CEEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(C)c1[O-] ZINC000569111699 334855846 /nfs/dbraw/zinc/85/58/46/334855846.db2.gz WHIWLSOADDTQRR-AAEUAGOBSA-N -1 3 261.321 2.022 20 30 CEEDHM C=CCN1CCC(N=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000347085744 526414868 /nfs/dbraw/zinc/41/48/68/526414868.db2.gz GTMSOKGALFUVBX-UHFFFAOYSA-N -1 3 292.330 2.041 20 30 CEEDHM C=CCN1CCC(N=c2[n-]c(C(F)(F)F)ns2)CC1 ZINC000347085744 526414873 /nfs/dbraw/zinc/41/48/73/526414873.db2.gz GTMSOKGALFUVBX-UHFFFAOYSA-N -1 3 292.330 2.041 20 30 CEEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)CCC1CCCC1 ZINC000333096153 527725122 /nfs/dbraw/zinc/72/51/22/527725122.db2.gz PFLNHHJADOIXMI-ZDUSSCGKSA-N -1 3 270.398 2.178 20 30 CEEDHM CCNC(=O)C[C@@H]1CCCCN1C(=O)c1csc(=O)[n-]1 ZINC000329113170 528822812 /nfs/dbraw/zinc/82/28/12/528822812.db2.gz LDIGIYAYTCEVOB-VIFPVBQESA-N -1 3 297.380 2.210 20 30 CEEDHM CC[C@@H](NC(=O)c1csc(=O)[n-]1)C1CCOCC1 ZINC000329977251 529266501 /nfs/dbraw/zinc/26/65/01/529266501.db2.gz FZFKMMVXIAUIPT-SECBINFHSA-N -1 3 270.354 2.359 20 30 CEEDHM N#Cc1cc(F)ccc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737706000 574455601 /nfs/dbraw/zinc/45/56/01/574455601.db2.gz ULLRLSFLAJECNM-UHFFFAOYSA-N -1 3 295.277 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276.336 2.174 20 30 CEEDHM N#CCCCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000360162846 394791441 /nfs/dbraw/zinc/79/14/41/394791441.db2.gz PAOPNTRVEIUFTL-UHFFFAOYSA-N -1 3 299.290 2.039 20 30 CEEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000122404636 394813779 /nfs/dbraw/zinc/81/37/79/394813779.db2.gz OAHZNYKVBXHXDA-UHFFFAOYSA-N -1 3 297.767 2.040 20 30 CEEDHM CC1(C)C[C@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000124152528 394836597 /nfs/dbraw/zinc/83/65/97/394836597.db2.gz RVSRXSKPKIGPFI-XBLUXWHVSA-N -1 3 265.309 2.180 20 30 CEEDHM COc1ccccc1-c1nc(NC(=O)C2(C#N)CCC2)n[n-]1 ZINC000126464442 394846019 /nfs/dbraw/zinc/84/60/19/394846019.db2.gz NKVCEXKWFRLENH-UHFFFAOYSA-N -1 3 297.318 2.113 20 30 CEEDHM CCOc1nc2cc(C(=O)NCC3(C#N)CCC3)ccc2[n-]1 ZINC000416346920 395056078 /nfs/dbraw/zinc/05/60/78/395056078.db2.gz NHRQDCBEXKHUDI-UHFFFAOYSA-N -1 3 298.346 2.385 20 30 CEEDHM CCOc1nc2ccc(C(=O)NCC3(C#N)CCC3)cc2[n-]1 ZINC000416346920 395056080 /nfs/dbraw/zinc/05/60/80/395056080.db2.gz NHRQDCBEXKHUDI-UHFFFAOYSA-N -1 3 298.346 2.385 20 30 CEEDHM CC#CCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000345784288 395077060 /nfs/dbraw/zinc/07/70/60/395077060.db2.gz KHLKXAYFEGIHSG-UHFFFAOYSA-N -1 3 296.164 2.227 20 30 CEEDHM CCN=c1[n-]c(C(=O)Nc2cccc(C#N)c2C)cs1 ZINC000433336470 395225442 /nfs/dbraw/zinc/22/54/42/395225442.db2.gz PMXNPIBJJYJCJI-UHFFFAOYSA-N -1 3 286.360 2.429 20 30 CEEDHM CCOc1cnc(C(=O)[N-]c2sccc2C#N)cn1 ZINC000186076075 395284491 /nfs/dbraw/zinc/28/44/91/395284491.db2.gz FGXDRGGVTDHPJP-UHFFFAOYSA-N -1 3 274.305 2.061 20 30 CEEDHM C=C(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000187893431 395308426 /nfs/dbraw/zinc/30/84/26/395308426.db2.gz MXHHPFNEWKQJMS-UHFFFAOYSA-N -1 3 270.741 2.066 20 30 CEEDHM C=C[C@@](C)(CC)C(=O)N=c1[n-]n(C)cc1Br ZINC000568394033 395557692 /nfs/dbraw/zinc/55/76/92/395557692.db2.gz BCJSQHWJGBPBGE-NSHDSACASA-N -1 3 286.173 2.145 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2)s1 ZINC000230332760 153389627 /nfs/dbraw/zinc/38/96/27/153389627.db2.gz HABAYVNBQFCMGM-UHFFFAOYSA-N -1 3 278.358 2.098 20 30 CEEDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230333519 153390194 /nfs/dbraw/zinc/39/01/94/153390194.db2.gz UZNAGOOWXZLSLZ-ONGXEEELSA-N -1 3 284.406 2.477 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccs2)s1 ZINC000230333532 153390656 /nfs/dbraw/zinc/39/06/56/153390656.db2.gz XTEVKGFUYROGEN-UHFFFAOYSA-N -1 3 298.414 2.202 20 30 CEEDHM CC1(C)C([N-]S(=O)(=O)c2ccc(C#N)s2)C1(C)C ZINC000230342804 153390855 /nfs/dbraw/zinc/39/08/55/153390855.db2.gz OUOYCTZTRAQHQG-UHFFFAOYSA-N -1 3 284.406 2.333 20 30 CEEDHM C=CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H](C)COC ZINC000661240887 415152237 /nfs/dbraw/zinc/15/22/37/415152237.db2.gz SOWHQWLLBBLZRT-LLVKDONJSA-N -1 3 277.368 2.083 20 30 CEEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cscn1 ZINC000660141373 415899139 /nfs/dbraw/zinc/89/91/39/415899139.db2.gz CHMVOGVCOQFQLN-UHFFFAOYSA-N -1 3 260.384 2.166 20 30 CEEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000660142725 415901460 /nfs/dbraw/zinc/90/14/60/415901460.db2.gz DIGGPXKQQVUVLT-UHFFFAOYSA-N -1 3 285.413 2.487 20 30 CEEDHM O=C(NCC1(c2ccncc2)CCCC1)c1c[n-]nn1 ZINC000329243252 227377060 /nfs/dbraw/zinc/37/70/60/227377060.db2.gz STMVLQLVSOCYEE-UHFFFAOYSA-N -1 3 271.324 2.016 20 30 CEEDHM O=C(NCC1(c2ccncc2)CCCC1)c1cnn[n-]1 ZINC000329243252 227377067 /nfs/dbraw/zinc/37/70/67/227377067.db2.gz STMVLQLVSOCYEE-UHFFFAOYSA-N -1 3 271.324 2.016 20 30 CEEDHM O=C(NCC1(c2ccncc2)CCCC1)c1cn[n-]n1 ZINC000329243252 227377072 /nfs/dbraw/zinc/37/70/72/227377072.db2.gz STMVLQLVSOCYEE-UHFFFAOYSA-N -1 3 271.324 2.016 20 30 CEEDHM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1ccncn1 ZINC000354464659 227001209 /nfs/dbraw/zinc/00/12/09/227001209.db2.gz JZXYQNGLUDVOTD-AWEZNQCLSA-N -1 3 289.298 2.152 20 30 CEEDHM Cc1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)o1 ZINC000336472865 227046164 /nfs/dbraw/zinc/04/61/64/227046164.db2.gz JUQZTVGLFGXDTP-GFCCVEGCSA-N -1 3 282.365 2.339 20 30 CEEDHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329991289 228009321 /nfs/dbraw/zinc/00/93/21/228009321.db2.gz WXMURQGMZPTZNS-RQJHMYQMSA-N -1 3 269.326 2.247 20 30 CEEDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)C#N)c1[O-] ZINC000050144403 260206599 /nfs/dbraw/zinc/20/65/99/260206599.db2.gz DTUSTDBMLLVKAB-VIFPVBQESA-N -1 3 264.300 2.325 20 30 CEEDHM CCOC(=O)N1CC[C@@H](/N=C/c2ccccc2[O-])C1 ZINC000184533671 262022075 /nfs/dbraw/zinc/02/20/75/262022075.db2.gz WCBJNLYMMPNEDC-KMHUVPDISA-N -1 3 262.309 2.042 20 30 CEEDHM N#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1F ZINC000108799252 262059970 /nfs/dbraw/zinc/05/99/70/262059970.db2.gz NFFPZXDYOWJGMP-AWEZNQCLSA-N -1 3 295.277 2.092 20 30 CEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(O)c2[O-])C1 ZINC000185676963 262066128 /nfs/dbraw/zinc/06/61/28/262066128.db2.gz AUHBLSUSHPZFLF-ZUZCIYMTSA-N -1 3 274.320 2.300 20 30 CEEDHM C[C@H]1CCN(C(=O)CSCC#N)c2c([O-])cccc21 ZINC000186326444 262088564 /nfs/dbraw/zinc/08/85/64/262088564.db2.gz XSAZGKWAICXQAK-JTQLQIEISA-N -1 3 276.361 2.489 20 30 CEEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160679301 262296375 /nfs/dbraw/zinc/29/63/75/262296375.db2.gz PYHAMQCHORRNKR-QMMMGPOBSA-N -1 3 272.395 2.236 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000496505653 262348383 /nfs/dbraw/zinc/34/83/83/262348383.db2.gz QFEAVUKYBKHYRY-AXFHLTTASA-N -1 3 286.372 2.158 20 30 CEEDHM C=CC1CCN(C(=O)c2cc(NC(C)=O)ccc2[O-])CC1 ZINC000111632081 262353901 /nfs/dbraw/zinc/35/39/01/262353901.db2.gz FDGPMGDUSCWXNP-UHFFFAOYSA-N -1 3 288.347 2.389 20 30 CEEDHM C=CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C1CC1 ZINC000412227271 262725506 /nfs/dbraw/zinc/72/55/06/262725506.db2.gz JKWYMFMQFXPWKG-UHFFFAOYSA-N -1 3 259.305 2.385 20 30 CEEDHM COC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(C)cc1 ZINC000272641458 263007896 /nfs/dbraw/zinc/00/78/96/263007896.db2.gz ZHGNWILKOUHRFB-CYBMUJFWSA-N -1 3 282.290 2.132 20 30 CEEDHM N#CCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000273457501 263017057 /nfs/dbraw/zinc/01/70/57/263017057.db2.gz DHOREGBREAESOC-UHFFFAOYSA-N -1 3 276.720 2.061 20 30 CEEDHM N#CCCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000273508324 263017770 /nfs/dbraw/zinc/01/77/70/263017770.db2.gz SKXDTBYEFOQKQC-UHFFFAOYSA-N -1 3 258.321 2.305 20 30 CEEDHM CC1(C#N)CN(C(=O)c2cc3c(cc2[O-])CCCC3)C1 ZINC000280478483 263062081 /nfs/dbraw/zinc/06/20/81/263062081.db2.gz NRCIQSIDWFSPPI-UHFFFAOYSA-N -1 3 270.332 2.257 20 30 CEEDHM CCN(CC#N)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000280715371 263063941 /nfs/dbraw/zinc/06/39/41/263063941.db2.gz XOKICDUSEOIMOV-UHFFFAOYSA-N -1 3 272.226 2.397 20 30 CEEDHM C=C(C)[C@H]1OCC[C@@H]1C/N=C/c1ccc(O)c([O-])c1O ZINC000281760346 263071653 /nfs/dbraw/zinc/07/16/53/263071653.db2.gz KFHZZDDPTQCSJS-QASJFLCBSA-N -1 3 277.320 2.204 20 30 CEEDHM CC[C@@](C)(C#N)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000288361516 263104054 /nfs/dbraw/zinc/10/40/54/263104054.db2.gz HFEAJAZGLHMCJP-AWEZNQCLSA-N -1 3 269.308 2.146 20 30 CEEDHM Cc1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c(F)c1 ZINC000290897767 263119054 /nfs/dbraw/zinc/11/90/54/263119054.db2.gz DRIVLNPHTYHDCH-CQSZACIVSA-N -1 3 296.367 2.246 20 30 CEEDHM CCOc1cc(CN2CCO[C@H](C#N)C2)cc(Cl)c1[O-] ZINC000297985554 263213228 /nfs/dbraw/zinc/21/32/28/263213228.db2.gz YLDLPGAXIVSBIF-LLVKDONJSA-N -1 3 296.754 2.169 20 30 CEEDHM C[C@@H]1CC[C@H](NC(=O)NCc2nnc(C(F)(F)F)[n-]2)C1 ZINC000331225398 264149713 /nfs/dbraw/zinc/14/97/13/264149713.db2.gz CCRKFGPIFJDWSB-RQJHMYQMSA-N -1 3 291.277 2.016 20 30 CEEDHM C[C@@H]1CC[C@H](NC(=O)NCc2n[n-]c(C(F)(F)F)n2)C1 ZINC000331225398 264149715 /nfs/dbraw/zinc/14/97/15/264149715.db2.gz CCRKFGPIFJDWSB-RQJHMYQMSA-N -1 3 291.277 2.016 20 30 CEEDHM C[C@@H]1CC[C@H](NC(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000331225398 264149718 /nfs/dbraw/zinc/14/97/18/264149718.db2.gz CCRKFGPIFJDWSB-RQJHMYQMSA-N -1 3 291.277 2.016 20 30 CEEDHM Cc1noc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])n1 ZINC000331247999 264180450 /nfs/dbraw/zinc/18/04/50/264180450.db2.gz WLZDGAGMIDMZKI-MRVPVSSYSA-N -1 3 261.281 2.458 20 30 CEEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)CO)cc1[O-] ZINC000331356140 264208164 /nfs/dbraw/zinc/20/81/64/264208164.db2.gz RNRIFZAJDMIBGF-ZBFHGGJFSA-N -1 3 291.347 2.451 20 30 CEEDHM Cc1[nH]nc([N-]C(=O)c2cc(-c3ccccc3)no2)c1C#N ZINC000431675955 268072331 /nfs/dbraw/zinc/07/23/31/268072331.db2.gz KQBJIMSJEFFFOK-UHFFFAOYSA-N -1 3 293.286 2.497 20 30 CEEDHM N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)cc1[O-] ZINC000530030229 268201058 /nfs/dbraw/zinc/20/10/58/268201058.db2.gz ZGNPUASRZHWCGH-OAHLLOKOSA-N -1 3 299.374 2.011 20 30 CEEDHM N#Cc1ccccc1OCC(=O)Nc1cccc([O-])c1F ZINC000128462575 279888590 /nfs/dbraw/zinc/88/85/90/279888590.db2.gz NRNGHSMFXPRCPZ-UHFFFAOYSA-N -1 3 286.262 2.420 20 30 CEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000155957425 289186129 /nfs/dbraw/zinc/18/61/29/289186129.db2.gz UFYLWFZJNDKCQB-UHFFFAOYSA-N -1 3 296.735 2.283 20 30 CEEDHM C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000040362486 289240246 /nfs/dbraw/zinc/24/02/46/289240246.db2.gz GYWRSQALTBPVIN-ZCFIWIBFSA-N -1 3 279.148 2.184 20 30 CEEDHM C[C@@H](CC#N)NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185686455 327842479 /nfs/dbraw/zinc/84/24/79/327842479.db2.gz HDEXAIBVQBNGGJ-JTQLQIEISA-N -1 3 258.321 2.303 20 30 CEEDHM CC[C@H](CC#N)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278542578 328226945 /nfs/dbraw/zinc/22/69/45/328226945.db2.gz XOBDSWKKPMPFNA-SNVBAGLBSA-N -1 3 279.296 2.091 20 30 CEEDHM N#CCOc1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292547952 328271473 /nfs/dbraw/zinc/27/14/73/328271473.db2.gz FQKBISGXHNODTQ-UHFFFAOYSA-N -1 3 261.281 2.052 20 30 CEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000581776032 322423593 /nfs/dbraw/zinc/42/35/93/322423593.db2.gz ARGKJHKZYBRGBH-ICCXJUOJSA-N -1 3 294.351 2.164 20 30 CEEDHM C=CCOCCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000579016273 327355851 /nfs/dbraw/zinc/35/58/51/327355851.db2.gz PJWAUEOBARMMRG-UHFFFAOYSA-N -1 3 299.317 2.444 20 30 CEEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000041482220 329564369 /nfs/dbraw/zinc/56/43/69/329564369.db2.gz FCBKUVNVKIJLGR-VIFPVBQESA-N -1 3 286.312 2.420 20 30 CEEDHM C=CCOc1ccc(CN(C)CC(=O)[O-])cc1Cl ZINC000263413670 330054813 /nfs/dbraw/zinc/05/48/13/330054813.db2.gz MIIUFFHUWOTVKJ-UHFFFAOYSA-N -1 3 269.728 2.421 20 30 CEEDHM C=C1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000278189855 330118766 /nfs/dbraw/zinc/11/87/66/330118766.db2.gz HXCXIVNJBRLSSU-UHFFFAOYSA-N -1 3 278.308 2.461 20 30 CEEDHM COCC1(C#N)CCN(C(=O)c2cc(C)ccc2[O-])CC1 ZINC000436883055 330687740 /nfs/dbraw/zinc/68/77/40/330687740.db2.gz ASBDLUNELKIBMN-UHFFFAOYSA-N -1 3 288.347 2.093 20 30 CEEDHM Cn1[n-]c([C@H]2CCCN2CCCCC(C)(C)C#N)nc1=N ZINC000450917045 331007072 /nfs/dbraw/zinc/00/70/72/331007072.db2.gz WUEHCNWDMMGGCV-GFCCVEGCSA-N -1 3 290.415 2.085 20 30 CEEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000451803640 331042768 /nfs/dbraw/zinc/04/27/68/331042768.db2.gz RKQWDJOMXJKEJK-UHFFFAOYSA-N -1 3 261.293 2.209 20 30 CEEDHM C#C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(C)C ZINC000490635204 332098258 /nfs/dbraw/zinc/09/82/58/332098258.db2.gz FCWXGGYWBRBIJQ-CYBMUJFWSA-N -1 3 265.740 2.362 20 30 CEEDHM C#C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(F)cc1 ZINC000491453260 332214584 /nfs/dbraw/zinc/21/45/84/332214584.db2.gz QLKSBCRUCYAIBU-ZDUSSCGKSA-N -1 3 294.289 2.201 20 30 CEEDHM N#C[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccc(F)cc1 ZINC000492397905 332395668 /nfs/dbraw/zinc/39/56/68/332395668.db2.gz KSPMZUXTARSDOG-KDQAPYGTSA-N -1 3 297.289 2.321 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(OC)cc1OC ZINC000493143944 332427976 /nfs/dbraw/zinc/42/79/76/332427976.db2.gz CLTWAYUPAJERFU-MXMFLMJRSA-N -1 3 277.320 2.339 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000496978255 332566303 /nfs/dbraw/zinc/56/63/03/332566303.db2.gz LKBVQMFJRRMCMZ-MNOVXSKESA-N -1 3 286.372 2.112 20 30 CEEDHM C=CCn1c(C)nnc1SCc1ncccc1[O-] ZINC000576063815 335148094 /nfs/dbraw/zinc/14/80/94/335148094.db2.gz NQLKSHIEHGJLHM-UHFFFAOYSA-N -1 3 262.338 2.165 20 30 CEEDHM C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000135168465 334118752 /nfs/dbraw/zinc/11/87/52/334118752.db2.gz XFTTZMRSRPWTNP-CYBMUJFWSA-N -1 3 265.313 2.127 20 30 CEEDHM C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000135168465 334118753 /nfs/dbraw/zinc/11/87/53/334118753.db2.gz XFTTZMRSRPWTNP-CYBMUJFWSA-N -1 3 265.313 2.127 20 30 CEEDHM C=CCCn1cc(C(=O)[N-]c2c(C)noc2C2CC2)nn1 ZINC000581425396 336075044 /nfs/dbraw/zinc/07/50/44/336075044.db2.gz QUGAOFFDUQHGBI-UHFFFAOYSA-N -1 3 287.323 2.280 20 30 CEEDHM C=C(C)CN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000336630187 526498571 /nfs/dbraw/zinc/49/85/71/526498571.db2.gz SSYXGOYHSBVCFD-UHFFFAOYSA-N -1 3 292.285 2.454 20 30 CEEDHM C=CCSCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000345122193 527000701 /nfs/dbraw/zinc/00/07/01/527000701.db2.gz VWPNTSLAZKUQSO-UHFFFAOYSA-N -1 3 288.372 2.177 20 30 CEEDHM C=CCCOCCCCC(=O)Nc1ncccc1[O-] ZINC000344805338 527338548 /nfs/dbraw/zinc/33/85/48/527338548.db2.gz AYLQTRPKPYKSDE-UHFFFAOYSA-N -1 3 264.325 2.489 20 30 CEEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000336450778 528908682 /nfs/dbraw/zinc/90/86/82/528908682.db2.gz UQWBADHLAWIRCF-JTQLQIEISA-N -1 3 290.747 2.306 20 30 CEEDHM N#Cc1cc(NC(=O)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737705936 574455303 /nfs/dbraw/zinc/45/53/03/574455303.db2.gz RWYVIERHULLERX-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM N#Cc1cc(NC(=O)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737705936 574455304 /nfs/dbraw/zinc/45/53/04/574455304.db2.gz RWYVIERHULLERX-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CCOc1ccc(/C=N\CCSCC(=O)OC)c([O-])c1 ZINC000729819223 574493557 /nfs/dbraw/zinc/49/35/57/574493557.db2.gz GNVDLERCIJQGGB-DHDCSXOGSA-N -1 3 297.376 2.116 20 30 CEEDHM CCCOC(=O)CC/N=C/c1c([O-])cccc1OC ZINC000730147531 574502756 /nfs/dbraw/zinc/50/27/56/574502756.db2.gz PPRXLUJQKPJRTC-XNTDXEJSSA-N -1 3 265.309 2.163 20 30 CEEDHM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C(C)C#N)cc1 ZINC000738200199 574503700 /nfs/dbraw/zinc/50/37/00/574503700.db2.gz VGUUZRBDLQWIAC-SKDRFNHKSA-N -1 3 292.360 2.200 20 30 CEEDHM CN(Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739706184 574507578 /nfs/dbraw/zinc/50/75/78/574507578.db2.gz WOVZMPAXWZCNAD-HNNXBMFYSA-N -1 3 287.363 2.380 20 30 CEEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C)nn1 ZINC000741466948 574596690 /nfs/dbraw/zinc/59/66/90/574596690.db2.gz DLSLQNPFTYXBOH-AJQDLKILSA-N -1 3 273.267 2.043 20 30 CEEDHM COc1cccc([O-])c1/C=N\C[C@H](OC)C(F)(F)F ZINC000733205140 574657408 /nfs/dbraw/zinc/65/74/08/574657408.db2.gz LMEPYZGCTSEHEX-JHJXWGGOSA-N -1 3 277.242 2.397 20 30 CEEDHM C=CC1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735403381 574756872 /nfs/dbraw/zinc/75/68/72/574756872.db2.gz VEIFLUSGHVIBEA-UHFFFAOYSA-N -1 3 298.350 2.297 20 30 CEEDHM C=CC1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735403381 574756874 /nfs/dbraw/zinc/75/68/74/574756874.db2.gz VEIFLUSGHVIBEA-UHFFFAOYSA-N -1 3 298.350 2.297 20 30 CEEDHM C=C1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735402589 574757158 /nfs/dbraw/zinc/75/71/58/574757158.db2.gz YFXMRLOPOQMRDD-UHFFFAOYSA-N -1 3 284.323 2.051 20 30 CEEDHM C=C1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735402589 574757161 /nfs/dbraw/zinc/75/71/61/574757161.db2.gz YFXMRLOPOQMRDD-UHFFFAOYSA-N -1 3 284.323 2.051 20 30 CEEDHM C=CCCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000735408063 574757254 /nfs/dbraw/zinc/75/72/54/574757254.db2.gz FHUKABJKRQUALT-UHFFFAOYSA-N -1 3 277.353 2.450 20 30 CEEDHM C=CCCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000735408063 574757257 /nfs/dbraw/zinc/75/72/57/574757257.db2.gz FHUKABJKRQUALT-UHFFFAOYSA-N -1 3 277.353 2.450 20 30 CEEDHM C=CCSCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000735443191 574758183 /nfs/dbraw/zinc/75/81/83/574758183.db2.gz SGVGUWAPFMLNCZ-UHFFFAOYSA-N -1 3 279.344 2.337 20 30 CEEDHM C=CCSCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000735443191 574758186 /nfs/dbraw/zinc/75/81/86/574758186.db2.gz SGVGUWAPFMLNCZ-UHFFFAOYSA-N -1 3 279.344 2.337 20 30 CEEDHM CC(C)(C)OCCN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736287223 574781070 /nfs/dbraw/zinc/78/10/70/574781070.db2.gz ZSLSNJHPCXJSOC-CYBMUJFWSA-N -1 3 276.336 2.089 20 30 CEEDHM CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736440583 574788595 /nfs/dbraw/zinc/78/85/95/574788595.db2.gz FJHFWZFVSPQGTM-UHFFFAOYSA-N -1 3 284.323 2.257 20 30 CEEDHM CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736440583 574788596 /nfs/dbraw/zinc/78/85/96/574788596.db2.gz FJHFWZFVSPQGTM-UHFFFAOYSA-N -1 3 284.323 2.257 20 30 CEEDHM CCN(CC)c1ccc(C=NOCCOC)c([O-])c1 ZINC000748789448 575195986 /nfs/dbraw/zinc/19/59/86/575195986.db2.gz HPJIWRXLBBSDHR-UHFFFAOYSA-N -1 3 266.341 2.235 20 30 CEEDHM CCOc1ccc(/C=N\C2CCN(C(C)=O)CC2)c([O-])c1 ZINC000743334427 575049146 /nfs/dbraw/zinc/04/91/46/575049146.db2.gz XFSSONGLKMHXFP-BOPFTXTBSA-N -1 3 290.363 2.221 20 30 CEEDHM COc1ccc(NC(=O)C(C#N)=C([O-])C=CC2CC2)cc1 ZINC000744032995 575112402 /nfs/dbraw/zinc/11/24/02/575112402.db2.gz KYHMSPVROHCAFC-MDDUGHTDSA-N -1 3 284.315 2.309 20 30 CEEDHM [O-]c1ccc2c(c1)OCC2=NOCc1cccnc1 ZINC000746585539 575159992 /nfs/dbraw/zinc/15/99/92/575159992.db2.gz HDLIOXWCBBJFDK-UHFFFAOYSA-N -1 3 256.261 2.101 20 30 CEEDHM Cn1c2ccc(N=Cc3ccccc3[O-])cc2n(C)c1=O ZINC000747361931 575169787 /nfs/dbraw/zinc/16/97/87/575169787.db2.gz DREPNMYZAZFAJY-UHFFFAOYSA-N -1 3 281.315 2.333 20 30 CEEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2F)c1[O-] ZINC000747713359 575174027 /nfs/dbraw/zinc/17/40/27/575174027.db2.gz TUEXHOGRXKEPEM-IUXPMGMMSA-N -1 3 274.295 2.346 20 30 CEEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2ccncc2)c1[O-] ZINC000749844067 575237028 /nfs/dbraw/zinc/23/70/28/575237028.db2.gz GSKHZNCMULCMNR-KECVIQKOSA-N -1 3 285.347 2.033 20 30 CEEDHM C[C@H](Cc1ccncc1)/N=C/c1ccc(O)c([O-])c1O ZINC000749845746 575237201 /nfs/dbraw/zinc/23/72/01/575237201.db2.gz UCDQEUNGZUNZTD-IYPWXLATSA-N -1 3 272.304 2.249 20 30 CEEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnnn1C ZINC000751032688 575282374 /nfs/dbraw/zinc/28/23/74/575282374.db2.gz SIFVRNLXWCNDSC-AJQDLKILSA-N -1 3 273.267 2.043 20 30 CEEDHM COC(=O)C[C@@H](/N=C\c1c([O-])cccc1OC)C1CC1 ZINC000753562375 575330096 /nfs/dbraw/zinc/33/00/96/575330096.db2.gz DVNZQQYZRCFUTG-DZZSIBQASA-N -1 3 277.320 2.161 20 30 CEEDHM O=C([O-])[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000833189055 601423350 /nfs/dbraw/zinc/42/33/50/601423350.db2.gz LDDRXGLZYGKPDX-ZDUSSCGKSA-N -1 3 277.751 2.488 20 30 CEEDHM C[C@H](C1CC1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833513940 604601463 /nfs/dbraw/zinc/60/14/63/604601463.db2.gz LADYDTYRXSWNET-SNVBAGLBSA-N -1 3 258.321 2.487 20 30 CEEDHM C[C@@H]1C[C@H](C)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833591945 604609871 /nfs/dbraw/zinc/60/98/71/604609871.db2.gz OSJYZGKIOPMJDG-WDEREUQCSA-N -1 3 258.321 2.487 20 30 CEEDHM N#CC(C(=O)CC[C@@H]1CCN(C(=O)[O-])C1)c1ccccn1 ZINC000833960668 605487664 /nfs/dbraw/zinc/48/76/64/605487664.db2.gz KIUYCJMFETXSRA-NEPJUHHUSA-N -1 3 287.319 2.038 20 30 CEEDHM CC(C)[C@@H](CNCc1ccc(C#N)cc1F)NC(=O)[O-] ZINC000824121954 605514722 /nfs/dbraw/zinc/51/47/22/605514722.db2.gz BXIQXFVFTXELPH-CYBMUJFWSA-N -1 3 279.315 2.079 20 30 CEEDHM CC(C[C@H]1CCOC1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820231596 606338757 /nfs/dbraw/zinc/33/87/57/606338757.db2.gz BUDJWTCVTLOJAJ-LLVKDONJSA-N -1 3 286.339 2.081 20 30 CEEDHM CC(C[C@H]1CCOC1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820231596 606338759 /nfs/dbraw/zinc/33/87/59/606338759.db2.gz BUDJWTCVTLOJAJ-LLVKDONJSA-N -1 3 286.339 2.081 20 30 CEEDHM N#Cc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822826183 606369222 /nfs/dbraw/zinc/36/92/22/606369222.db2.gz VEIVOKONWAGGRS-UHFFFAOYSA-N -1 3 295.331 2.246 20 30 CEEDHM N#Cc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822826183 606369223 /nfs/dbraw/zinc/36/92/23/606369223.db2.gz VEIVOKONWAGGRS-UHFFFAOYSA-N -1 3 295.331 2.246 20 30 CEEDHM N#Cc1ccn(CCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387552 607891391 /nfs/dbraw/zinc/89/13/91/607891391.db2.gz BEKGORVGBOEDHH-UHFFFAOYSA-N -1 3 294.318 2.009 20 30 CEEDHM C#CC[C@@H](NCc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC000823838180 607938806 /nfs/dbraw/zinc/93/88/06/607938806.db2.gz KXBGKHWXMQZMIJ-CQSZACIVSA-N -1 3 293.330 2.314 20 30 CEEDHM C#CC[C@@H](NCc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000823838180 607938807 /nfs/dbraw/zinc/93/88/07/607938807.db2.gz KXBGKHWXMQZMIJ-CQSZACIVSA-N -1 3 293.330 2.314 20 30 CEEDHM CC(C)(C)CN(CCC#N)c1ncccc1-c1nnn[n-]1 ZINC000824086063 607986915 /nfs/dbraw/zinc/98/69/15/607986915.db2.gz JGWWZRKTOZFSRS-UHFFFAOYSA-N -1 3 285.355 2.028 20 30 CEEDHM CC(C)(C)CN(CCC#N)c1ncccc1-c1nn[n-]n1 ZINC000824086063 607986916 /nfs/dbraw/zinc/98/69/16/607986916.db2.gz JGWWZRKTOZFSRS-UHFFFAOYSA-N -1 3 285.355 2.028 20 30 CEEDHM C#CCCCSCCOc1ccccc1-c1nnn[n-]1 ZINC000823840666 608321312 /nfs/dbraw/zinc/32/13/12/608321312.db2.gz AYUQXCAUUUMLAK-UHFFFAOYSA-N -1 3 288.376 2.392 20 30 CEEDHM C#CCCCSCCOc1ccccc1-c1nn[n-]n1 ZINC000823840666 608321314 /nfs/dbraw/zinc/32/13/14/608321314.db2.gz AYUQXCAUUUMLAK-UHFFFAOYSA-N -1 3 288.376 2.392 20 30 CEEDHM C[C@@H](Nc1cnccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824662046 608771263 /nfs/dbraw/zinc/77/12/63/608771263.db2.gz AZQCCKPBPCBVPQ-SNVBAGLBSA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@@H](Nc1cnccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824662046 608771267 /nfs/dbraw/zinc/77/12/67/608771267.db2.gz AZQCCKPBPCBVPQ-SNVBAGLBSA-N -1 3 291.318 2.306 20 30 CEEDHM Cc1nnc(SCCCCC#N)c(-c2nnn[n-]2)c1C ZINC000826336924 609306817 /nfs/dbraw/zinc/30/68/17/609306817.db2.gz UYFRGLXXRNBIIC-UHFFFAOYSA-N -1 3 289.368 2.060 20 30 CEEDHM Cc1nnc(SCCCCC#N)c(-c2nn[n-]n2)c1C ZINC000826336924 609306818 /nfs/dbraw/zinc/30/68/18/609306818.db2.gz UYFRGLXXRNBIIC-UHFFFAOYSA-N -1 3 289.368 2.060 20 30 CEEDHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825049503 609584250 /nfs/dbraw/zinc/58/42/50/609584250.db2.gz BSLQUPRJDIPVIW-ZJUUUORDSA-N -1 3 298.350 2.359 20 30 CEEDHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825049503 609584252 /nfs/dbraw/zinc/58/42/52/609584252.db2.gz BSLQUPRJDIPVIW-ZJUUUORDSA-N -1 3 298.350 2.359 20 30 CEEDHM N#CCCCNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826381421 609588976 /nfs/dbraw/zinc/58/89/76/609588976.db2.gz LDJGHIJPCOOTPV-UHFFFAOYSA-N -1 3 279.307 2.131 20 30 CEEDHM N#CCCCNc1ccc2cc(-c3nn[n-]n3)ccc2n1 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ZINC000780341210 647418381 /nfs/dbraw/zinc/41/83/81/647418381.db2.gz KEAAOHNGDPENBP-UHFFFAOYSA-N -1 3 274.246 2.346 20 30 CEEDHM C#CCCCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000780341210 647418383 /nfs/dbraw/zinc/41/83/83/647418383.db2.gz KEAAOHNGDPENBP-UHFFFAOYSA-N -1 3 274.246 2.346 20 30 CEEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@]1(C)CCCO1 ZINC000782201770 647600191 /nfs/dbraw/zinc/60/01/91/647600191.db2.gz UFIOEFABURYLFY-AWEZNQCLSA-N -1 3 296.392 2.051 20 30 CEEDHM CCc1nnc([C@@H](C)N[C@H](C)c2cccc(C#N)c2[O-])[nH]1 ZINC000866313275 647731974 /nfs/dbraw/zinc/73/19/74/647731974.db2.gz YPZKGEDDWPQKGG-NXEZZACHSA-N -1 3 285.351 2.356 20 30 CEEDHM COC[C@@H](C#N)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000785141346 647909815 /nfs/dbraw/zinc/90/98/15/647909815.db2.gz NCGUSEHEDDJNDP-RXMQYKEDSA-N -1 3 263.080 2.017 20 30 CEEDHM CCCCCCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867552288 647922788 /nfs/dbraw/zinc/92/27/88/647922788.db2.gz JEDFBYZPFIOCEA-UHFFFAOYSA-N -1 3 296.458 2.053 20 30 CEEDHM [O-]c1ccc(CN=Nc2nc3ccccn3n2)cc1F ZINC000790197908 648393799 /nfs/dbraw/zinc/39/37/99/648393799.db2.gz MQIZBOZLYVQHNF-UHFFFAOYSA-N -1 3 271.255 2.020 20 30 CEEDHM N#CC1([N-]C(=O)C(F)(F)C2CCOCC2)CCCCC1 ZINC000790546284 648428986 /nfs/dbraw/zinc/42/89/86/648428986.db2.gz JDSVXXCVWBAZPJ-UHFFFAOYSA-N -1 3 286.322 2.391 20 30 CEEDHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)CC)C(=O)OCC ZINC000870035343 648685853 /nfs/dbraw/zinc/68/58/53/648685853.db2.gz IKFDEILOXSPVDH-QMMMGPOBSA-N -1 3 283.702 2.222 20 30 CEEDHM C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)N1CCCCCC1 ZINC000870693087 648882672 /nfs/dbraw/zinc/88/26/72/648882672.db2.gz XIUSQJMHKNKZBN-CYBMUJFWSA-N -1 3 287.363 2.233 20 30 CEEDHM COc1cc(C(=O)/C=C/c2c(C)cnn2C)ccc1[O-] ZINC000794694939 648904362 /nfs/dbraw/zinc/90/43/62/648904362.db2.gz JXRMPUCPGDTNTL-FNORWQNLSA-N -1 3 272.304 2.339 20 30 CEEDHM O=C1Nc2cc([O-])ccc2C1=NNC[C@@H]1CCCC1(F)F ZINC000872407903 649383384 /nfs/dbraw/zinc/38/33/84/649383384.db2.gz HBABITVWOASORF-QMMMGPOBSA-N -1 3 295.289 2.073 20 30 CEEDHM C#CC1(F)CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000881937518 651918453 /nfs/dbraw/zinc/91/84/53/651918453.db2.gz FDNNQUYMUTYQGP-UHFFFAOYSA-N -1 3 287.212 2.208 20 30 CEEDHM CC[C@H](C#Cc1ccccc1)Oc1ccc(=O)[n-]n1 ZINC001227093243 805858817 /nfs/dbraw/zinc/85/88/17/805858817.db2.gz JHSQKNJSFGWLMG-CYBMUJFWSA-N -1 3 254.289 2.391 20 30 CEEDHM N#Cc1cc(-n2cc(Cl)c(Cl)c(N)c2=N)ccc1[O-] ZINC001210531024 802699265 /nfs/dbraw/zinc/69/92/65/802699265.db2.gz STXCFKXUSWZNSD-UHFFFAOYSA-N -1 3 295.129 2.423 20 30 CEEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(N)c2)c(F)c1 ZINC000168222810 805295187 /nfs/dbraw/zinc/29/51/87/805295187.db2.gz WDPBRCMXZUBKIB-UHFFFAOYSA-N -1 3 291.307 2.080 20 30 CEEDHM CC#C[C@@H](CC)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234919989 807734474 /nfs/dbraw/zinc/73/44/74/807734474.db2.gz GIZRZRNYYNVKCW-SECBINFHSA-N -1 3 264.350 2.401 20 30 CEEDHM COc1ncnc(Nc2cc(F)cc(F)c2[O-])c1C#N ZINC001212484017 809027565 /nfs/dbraw/zinc/02/75/65/809027565.db2.gz FURNXKRXMUMIAL-UHFFFAOYSA-N -1 3 278.218 2.084 20 30 CEEDHM C#C[C@H](NC(=O)c1ccc(OC)cc1[O-])C(C)(C)C ZINC000702225224 809523160 /nfs/dbraw/zinc/52/31/60/809523160.db2.gz WLEOFHOYCCGFPM-ZDUSSCGKSA-N -1 3 261.321 2.179 20 30 CEEDHM C=CCCC(C)(C)CNCc1cc(C(=O)[O-])no1 ZINC000703916258 809706567 /nfs/dbraw/zinc/70/65/67/809706567.db2.gz RPOKHUNDPOSQIQ-UHFFFAOYSA-N -1 3 252.314 2.455 20 30 CEEDHM C#CCCC1(CCNC(=O)Cc2ccc([O-])c(F)c2)N=N1 ZINC001144636622 814135903 /nfs/dbraw/zinc/13/59/03/814135903.db2.gz PACORWXWIXGKFQ-UHFFFAOYSA-N -1 3 289.310 2.156 20 30 CEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccncc2)cc1 ZINC001171366216 814668206 /nfs/dbraw/zinc/66/82/06/814668206.db2.gz VLOJMVGZEQUNIE-NHYWBVRUSA-N -1 3 283.331 2.397 20 30 CEEDHM N#Cc1ccc([O-])c(Nc2ccccc2C(N)=O)c1 ZINC001173981783 815884864 /nfs/dbraw/zinc/88/48/64/815884864.db2.gz CSXZENSCHDJSKC-UHFFFAOYSA-N -1 3 253.261 2.106 20 30 CEEDHM CCO[C@H](C)n1cc([N-]c2onc(C)c2C#N)cn1 ZINC001174689583 816064247 /nfs/dbraw/zinc/06/42/47/816064247.db2.gz ANQUHIOKNGKYRT-SECBINFHSA-N -1 3 261.285 2.350 20 30 CEEDHM COc1cc(Nc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001175430280 816200518 /nfs/dbraw/zinc/20/05/18/816200518.db2.gz NYRVJIZUEVMWMK-UHFFFAOYSA-N -1 3 292.302 2.491 20 30 CEEDHM N#Cc1ccc2c(c1)CN(Cc1ccncc1[O-])CC2 ZINC001140273092 816219758 /nfs/dbraw/zinc/21/97/58/816219758.db2.gz GWESMPMXNSXJRO-UHFFFAOYSA-N -1 3 265.316 2.217 20 30 CEEDHM C=CCO[N-]C(=O)Cc1ccc(Br)c(F)c1 ZINC001140879707 816396382 /nfs/dbraw/zinc/39/63/82/816396382.db2.gz MTBBRVVJSXKZMJ-UHFFFAOYSA-N -1 3 288.116 2.365 20 30 CEEDHM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccn1 ZINC001177305134 816541573 /nfs/dbraw/zinc/54/15/73/816541573.db2.gz QWFHBPWNCYIPBD-JTQLQIEISA-N -1 3 267.279 2.228 20 30 CEEDHM C#Cc1cccc(CNC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC001142211089 816639565 /nfs/dbraw/zinc/63/95/65/816639565.db2.gz HXGJGHDKTJUBBA-UHFFFAOYSA-N -1 3 294.289 2.008 20 30 CEEDHM CCO[N-]C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 ZINC000273851550 192334863 /nfs/dbraw/zinc/33/48/63/192334863.db2.gz NKYUHFAJCSTCCC-UHFFFAOYSA-N -1 3 292.295 2.200 20 30 CEEDHM C=C(C)C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OC ZINC000601787994 346899749 /nfs/dbraw/zinc/89/97/49/346899749.db2.gz NVYAWIZTASSLPI-LBPRGKRZSA-N -1 3 297.738 2.283 20 30 CEEDHM COc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1[O-] ZINC000601821232 346909958 /nfs/dbraw/zinc/90/99/58/346909958.db2.gz MEPUCMCRNXNSQN-ZYHUDNBSSA-N -1 3 274.320 2.165 20 30 CEEDHM CCn1cnnc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000329097412 529599028 /nfs/dbraw/zinc/59/90/28/529599028.db2.gz CETKLSZSLDUJMZ-MRVPVSSYSA-N -1 3 293.352 2.242 20 30 CEEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000071643452 343801749 /nfs/dbraw/zinc/80/17/49/343801749.db2.gz JMLVGUMGALPCQD-LBPRGKRZSA-N -1 3 286.784 2.308 20 30 CEEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc(C#N)c2)n1 ZINC000602172331 346987451 /nfs/dbraw/zinc/98/74/51/346987451.db2.gz PRIAYXMPDGCUPH-UHFFFAOYSA-N -1 3 296.330 2.027 20 30 CEEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126525908 344324238 /nfs/dbraw/zinc/32/42/38/344324238.db2.gz QSNQHZNGHHKVKT-SNVBAGLBSA-N -1 3 297.767 2.182 20 30 CEEDHM CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000150989435 344418613 /nfs/dbraw/zinc/41/86/13/344418613.db2.gz WXZWJZWYAKHPLC-UHFFFAOYSA-N -1 3 270.329 2.166 20 30 CEEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(c2ccccc2)C1=O ZINC000293780397 344692776 /nfs/dbraw/zinc/69/27/76/344692776.db2.gz ZDUGVGBYFUJJLC-LBPRGKRZSA-N -1 3 294.301 2.120 20 30 CEEDHM Cc1cccc(C(=O)N2CCC[C@H](CC#N)C2)c1[O-] ZINC000397789762 344852596 /nfs/dbraw/zinc/85/25/96/344852596.db2.gz ZCFVIGLPTXYFGU-GFCCVEGCSA-N -1 3 258.321 2.467 20 30 CEEDHM CC(C)(C)c1nnc([N-]C(=O)c2cccc(C#N)n2)s1 ZINC000589329098 345077922 /nfs/dbraw/zinc/07/79/22/345077922.db2.gz UUSKIIAIZQVAHF-UHFFFAOYSA-N -1 3 287.348 2.355 20 30 CEEDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC#N)c1Cl ZINC000590547890 345144847 /nfs/dbraw/zinc/14/48/47/345144847.db2.gz LDZVHKJHJQWPPF-UHFFFAOYSA-N -1 3 293.175 2.412 20 30 CEEDHM C[C@]1(C#N)CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000590956025 345205043 /nfs/dbraw/zinc/20/50/43/345205043.db2.gz GASMMYMVCZJVMK-OAHLLOKOSA-N -1 3 272.352 2.185 20 30 CEEDHM CO[C@H](CS(=O)(=O)[N-]c1cc(C#N)ccc1C)C(C)C ZINC000592351446 345344112 /nfs/dbraw/zinc/34/41/12/345344112.db2.gz WMVNRGAOWBPLGK-CQSZACIVSA-N -1 3 296.392 2.279 20 30 CEEDHM CCC(C#N)=C([O-])N=c1cc(C2CCCCC2)[nH][nH]1 ZINC000593509112 345501047 /nfs/dbraw/zinc/50/10/47/345501047.db2.gz SQGHVBQSJISIAU-JTQLQIEISA-N -1 3 260.341 2.368 20 30 CEEDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593543803 345506215 /nfs/dbraw/zinc/50/62/15/345506215.db2.gz NTVJBVSXQYNQCM-BDAKNGLRSA-N -1 3 270.379 2.087 20 30 CEEDHM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593565874 345508257 /nfs/dbraw/zinc/50/82/57/345508257.db2.gz BQQLXQHZMAJJNN-VIFPVBQESA-N -1 3 272.395 2.333 20 30 CEEDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593578969 345508845 /nfs/dbraw/zinc/50/88/45/345508845.db2.gz RNDWXXNJTXCCLC-VIFPVBQESA-N -1 3 284.406 2.477 20 30 CEEDHM CC(=C([O-])Nc1n[nH]c2cc(C#N)c(C)cc21)C(F)(F)F ZINC000593844810 345545080 /nfs/dbraw/zinc/54/50/80/345545080.db2.gz QWKDUSORGOKXNY-ZETCQYMHSA-N -1 3 296.252 2.302 20 30 CEEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CCCCC#N ZINC000593997464 345562639 /nfs/dbraw/zinc/56/26/39/345562639.db2.gz GNQZIDQNKRMWDT-UHFFFAOYSA-N -1 3 293.323 2.436 20 30 CEEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)CCc1ccccc1F ZINC000594721263 345679394 /nfs/dbraw/zinc/67/93/94/345679394.db2.gz PWXUOMCWWQRWQR-CYBMUJFWSA-N -1 3 298.383 2.226 20 30 CEEDHM C=CCCSCC[N-]S(=O)(=O)c1ccccc1F ZINC000594810266 345688815 /nfs/dbraw/zinc/68/88/15/345688815.db2.gz VKNXBHCRYZFFPU-UHFFFAOYSA-N -1 3 289.397 2.413 20 30 CEEDHM CC(C)C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)N(C)C ZINC000596070594 345932648 /nfs/dbraw/zinc/93/26/48/345932648.db2.gz FMDLSKVTGGPXNI-VIFPVBQESA-N -1 3 286.832 2.478 20 30 CEEDHM CCC[C@@H](CCO)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596145841 345951534 /nfs/dbraw/zinc/95/15/34/345951534.db2.gz YJXMHTLYNAPYFH-QMMMGPOBSA-N -1 3 273.789 2.301 20 30 CEEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccncc1F ZINC000179091637 232388809 /nfs/dbraw/zinc/38/88/09/232388809.db2.gz FJXNCPAVQXJJSV-UHFFFAOYSA-N -1 3 291.307 2.202 20 30 CEEDHM C=CCCSCCNC(=O)c1cc(OC)ccc1[O-] ZINC000597970897 346260181 /nfs/dbraw/zinc/26/01/81/346260181.db2.gz OHWOANSVWOMRQC-UHFFFAOYSA-N -1 3 281.377 2.440 20 30 CEEDHM C=CCCSCCNC(=O)c1ccc([O-])c(OC)c1 ZINC000597968676 346259517 /nfs/dbraw/zinc/25/95/17/346259517.db2.gz LWGCGQURQRPVQZ-UHFFFAOYSA-N -1 3 281.377 2.440 20 30 CEEDHM C=CCCSCCNC(=O)c1csc(=NCC)[n-]1 ZINC000597973334 346261198 /nfs/dbraw/zinc/26/11/98/346261198.db2.gz AQDNANBZQMCKMC-UHFFFAOYSA-N -1 3 285.438 2.036 20 30 CEEDHM C=CCn1c(S[C@@H](C(=O)OCC)C(C)(C)C)n[n-]c1=O ZINC000600528900 346649109 /nfs/dbraw/zinc/64/91/09/346649109.db2.gz JNRIPPYVQFWXLR-VIFPVBQESA-N -1 3 299.396 2.240 20 30 CEEDHM Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C#N ZINC000600697761 346673633 /nfs/dbraw/zinc/67/36/33/346673633.db2.gz AOBVJGGWOVQRQS-DOMZBBRYSA-N -1 3 272.348 2.409 20 30 CEEDHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1C#N ZINC000339119153 302018019 /nfs/dbraw/zinc/01/80/19/302018019.db2.gz KYSYBNGSFDDFFU-NEPJUHHUSA-N -1 3 282.340 2.036 20 30 CEEDHM C[C@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1C(=O)[O-] ZINC000600800899 346692889 /nfs/dbraw/zinc/69/28/89/346692889.db2.gz NOXIYRXSKWKMNG-CABZTGNLSA-N -1 3 264.350 2.162 20 30 CEEDHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(C#N)c1 ZINC000610389467 347677746 /nfs/dbraw/zinc/67/77/46/347677746.db2.gz HGTITMZDEQFZRW-JTQLQIEISA-N -1 3 282.299 2.460 20 30 CEEDHM C=CCn1c(S[C@H](C#N)Cc2ccccc2)n[n-]c1=O ZINC000610737570 347708203 /nfs/dbraw/zinc/70/82/03/347708203.db2.gz YIFAIJAKXIQSCF-LBPRGKRZSA-N -1 3 286.360 2.397 20 30 CEEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000611113600 347740218 /nfs/dbraw/zinc/74/02/18/347740218.db2.gz ASWQTASPLRAEHW-JTQLQIEISA-N -1 3 288.319 2.181 20 30 CEEDHM C=CC[C@@H]1CCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000626561756 350748709 /nfs/dbraw/zinc/74/87/09/350748709.db2.gz LTLPWCOYCBUVRO-GFCCVEGCSA-N -1 3 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/nfs/dbraw/zinc/38/78/13/327387813.db2.gz LXDWDPIREXMOOS-UHFFFAOYSA-N -1 3 260.337 2.267 20 30 CEEDHM N#C[C@]1(C(=O)Nc2ncccc2[O-])CCc2ccccc2C1 ZINC000378636656 329057473 /nfs/dbraw/zinc/05/74/73/329057473.db2.gz XRNNAMRGDGYMQY-KRWDZBQOSA-N -1 3 293.326 2.425 20 30 CEEDHM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1=O ZINC000171567621 329077448 /nfs/dbraw/zinc/07/74/48/329077448.db2.gz NWXWOPOLSVBWLI-NSHDSACASA-N -1 3 293.282 2.017 20 30 CEEDHM C[C@@H](CC#N)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000161913790 329959756 /nfs/dbraw/zinc/95/97/56/329959756.db2.gz MJATVJPYONZPCV-JTQLQIEISA-N -1 3 296.330 2.403 20 30 CEEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc2c1OCO2 ZINC000080139552 330108286 /nfs/dbraw/zinc/10/82/86/330108286.db2.gz VLFXNROKWHPCSK-UHFFFAOYSA-N -1 3 298.258 2.430 20 30 CEEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc2c1OCO2 ZINC000080139552 330108284 /nfs/dbraw/zinc/10/82/84/330108284.db2.gz VLFXNROKWHPCSK-UHFFFAOYSA-N -1 3 298.258 2.430 20 30 CEEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc2c1OCO2 ZINC000080139552 330108287 /nfs/dbraw/zinc/10/82/87/330108287.db2.gz VLFXNROKWHPCSK-UHFFFAOYSA-N -1 3 298.258 2.430 20 30 CEEDHM C=CCN(CC=C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278223362 330119200 /nfs/dbraw/zinc/11/92/00/330119200.db2.gz LPVBBYHGWRTOPU-UHFFFAOYSA-N -1 3 278.308 2.483 20 30 CEEDHM C[C@@H](C#N)CN(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000528137816 330309081 /nfs/dbraw/zinc/30/90/81/330309081.db2.gz GJJAJUMYSOPVDG-QMMMGPOBSA-N -1 3 297.152 2.386 20 30 CEEDHM C=CC(C)(C)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000452778061 331077035 /nfs/dbraw/zinc/07/70/35/331077035.db2.gz PHVMRPJOZJYHQF-UHFFFAOYSA-N -1 3 276.336 2.293 20 30 CEEDHM C#CCOc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000492338579 332393148 /nfs/dbraw/zinc/39/31/48/332393148.db2.gz FGBNLSAXNBUSTQ-FPYGCLRLSA-N -1 3 294.310 2.451 20 30 CEEDHM C=C(C)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000492358281 332393981 /nfs/dbraw/zinc/39/39/81/332393981.db2.gz RDHJEIFVQIAGFF-UHFFFAOYSA-N -1 3 263.721 2.334 20 30 CEEDHM Cc1ccc(O)c([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000550110475 334213481 /nfs/dbraw/zinc/21/34/81/334213481.db2.gz MGWSIGMUOUQBCV-UHFFFAOYSA-N -1 3 282.365 2.382 20 30 CEEDHM N#CCc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000553256612 334372171 /nfs/dbraw/zinc/37/21/71/334372171.db2.gz IPGXZUSOJGAVPK-UHFFFAOYSA-N -1 3 294.314 2.378 20 30 CEEDHM C=C(C)[C@H](CC(=O)N=c1cc2ccccn2[n-]1)OCC ZINC000578492940 335640725 /nfs/dbraw/zinc/64/07/25/335640725.db2.gz LBRNKBSRYMOWCX-ZDUSSCGKSA-N -1 3 273.336 2.066 20 30 CEEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000194545284 336029604 /nfs/dbraw/zinc/02/96/04/336029604.db2.gz AFHOEYRVZNEGRV-UHFFFAOYSA-N -1 3 293.360 2.162 20 30 CEEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000050508248 526709595 /nfs/dbraw/zinc/70/95/95/526709595.db2.gz NFTYJZCCDUGXGX-HNNXBMFYSA-N -1 3 266.300 2.474 20 30 CEEDHM C=C(C[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000344886581 526881730 /nfs/dbraw/zinc/88/17/30/526881730.db2.gz BRNPRBLQPFVDTQ-UHFFFAOYSA-N -1 3 292.360 2.283 20 30 CEEDHM CC(C)(C)n1cnc([N-]C(=O)c2cn(C(C)(C)C)nn2)n1 ZINC000330034987 526933969 /nfs/dbraw/zinc/93/39/69/526933969.db2.gz BMPUULCTRILNSV-UHFFFAOYSA-N -1 3 291.359 2.016 20 30 CEEDHM CC[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1nccs1 ZINC000331614479 529191732 /nfs/dbraw/zinc/19/17/32/529191732.db2.gz FTRFDOYDWVYAMD-SNVBAGLBSA-N -1 3 299.421 2.207 20 30 CEEDHM Cc1ccc([O-])c(CN=Nc2ccccc2[N+](=O)[O-])n1 ZINC000728777498 574469406 /nfs/dbraw/zinc/46/94/06/574469406.db2.gz IBEQBOARRNTTGZ-UHFFFAOYSA-N -1 3 272.264 2.450 20 30 CEEDHM C#Cc1ccc(C(=O)Nc2n[n-]c(-c3cccs3)n2)nc1 ZINC000728961085 574474158 /nfs/dbraw/zinc/47/41/58/574474158.db2.gz SBWJSSKCOLOMIL-UHFFFAOYSA-N -1 3 295.327 2.162 20 30 CEEDHM Cc1cc(C)c(CN=Cc2ccc(O)c([O-])c2O)c(=O)[nH]1 ZINC000730546064 574521628 /nfs/dbraw/zinc/52/16/28/574521628.db2.gz AAYJUYAGINRYFV-SOFYXZRVSA-N -1 3 288.303 2.140 20 30 CEEDHM COc1ccc(C=NNc2ccc(F)cn2)c([O-])c1 ZINC000731320102 574593927 /nfs/dbraw/zinc/59/39/27/574593927.db2.gz VFIFGLCNVBNBQF-UHFFFAOYSA-N -1 3 261.256 2.381 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000752256883 575307212 /nfs/dbraw/zinc/30/72/12/575307212.db2.gz XAPPOQPWUQBLNT-UHFFFAOYSA-N -1 3 288.781 2.327 20 30 CEEDHM CCOc1ccc(/C=N\[C@@H]2CCN(C(C)C)C2=O)c([O-])c1 ZINC000734095630 574700419 /nfs/dbraw/zinc/70/04/19/574700419.db2.gz DRGUVYBYOSCWFB-AYCSXLNKSA-N -1 3 290.363 2.219 20 30 CEEDHM COC(=O)c1ccc(C/N=C/c2ccccc2[O-])o1 ZINC000734093985 574700474 /nfs/dbraw/zinc/70/04/74/574700474.db2.gz CFHWOJIBFNRLQD-OVCLIPMQSA-N -1 3 259.261 2.391 20 30 CEEDHM Fc1ccc2c(c1)CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000734295429 574706902 /nfs/dbraw/zinc/70/69/02/574706902.db2.gz BBCXOWNAJIVZNJ-UHFFFAOYSA-N -1 3 282.282 2.254 20 30 CEEDHM C=CCCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000735413263 574756083 /nfs/dbraw/zinc/75/60/83/574756083.db2.gz REWRUTBODIIQIA-UHFFFAOYSA-N -1 3 295.350 2.400 20 30 CEEDHM C=CCCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000735413263 574756086 /nfs/dbraw/zinc/75/60/86/574756086.db2.gz REWRUTBODIIQIA-UHFFFAOYSA-N -1 3 295.350 2.400 20 30 CEEDHM C=CC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000735409981 574755090 /nfs/dbraw/zinc/75/50/90/574755090.db2.gz QSOOZKBBYWDXEN-SNVBAGLBSA-N -1 3 286.339 2.261 20 30 CEEDHM C=CC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000735409981 574755092 /nfs/dbraw/zinc/75/50/92/574755092.db2.gz QSOOZKBBYWDXEN-SNVBAGLBSA-N -1 3 286.339 2.261 20 30 CEEDHM C=CCCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735413278 574755942 /nfs/dbraw/zinc/75/59/42/574755942.db2.gz RQEDOGZIRMBKMZ-MDZDMXLPSA-N -1 3 284.319 2.389 20 30 CEEDHM C=CCCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735413278 574755945 /nfs/dbraw/zinc/75/59/45/574755945.db2.gz RQEDOGZIRMBKMZ-MDZDMXLPSA-N -1 3 284.319 2.389 20 30 CEEDHM C=CCSCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000735443442 574758204 /nfs/dbraw/zinc/75/82/04/574758204.db2.gz VSKHOKIUUGEXGA-UHFFFAOYSA-N -1 3 292.364 2.173 20 30 CEEDHM C=CCSCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735443442 574758206 /nfs/dbraw/zinc/75/82/06/574758206.db2.gz VSKHOKIUUGEXGA-UHFFFAOYSA-N -1 3 292.364 2.173 20 30 CEEDHM C=CCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000735416673 574758592 /nfs/dbraw/zinc/75/85/92/574758592.db2.gz OKXGKQYAHMVEKW-UHFFFAOYSA-N -1 3 281.323 2.010 20 30 CEEDHM C=CCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000735416673 574758593 /nfs/dbraw/zinc/75/85/93/574758593.db2.gz OKXGKQYAHMVEKW-UHFFFAOYSA-N -1 3 281.323 2.010 20 30 CEEDHM CC(=NNC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451345 574759132 /nfs/dbraw/zinc/75/91/32/574759132.db2.gz YIMKCVBRQBJROW-UHFFFAOYSA-N -1 3 270.340 2.123 20 30 CEEDHM CC(=NNC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451345 574759134 /nfs/dbraw/zinc/75/91/34/574759134.db2.gz YIMKCVBRQBJROW-UHFFFAOYSA-N -1 3 270.340 2.123 20 30 CEEDHM CCC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC000736306435 574781562 /nfs/dbraw/zinc/78/15/62/574781562.db2.gz ZYEDGPMQCJKSQV-LLVKDONJSA-N -1 3 286.339 2.081 20 30 CEEDHM CCC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC000736306435 574781563 /nfs/dbraw/zinc/78/15/63/574781563.db2.gz ZYEDGPMQCJKSQV-LLVKDONJSA-N -1 3 286.339 2.081 20 30 CEEDHM CCC[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736419335 574787203 /nfs/dbraw/zinc/78/72/03/574787203.db2.gz LAYYYXUBVJAQNC-VIFPVBQESA-N -1 3 284.323 2.113 20 30 CEEDHM CCC[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736419335 574787204 /nfs/dbraw/zinc/78/72/04/574787204.db2.gz LAYYYXUBVJAQNC-VIFPVBQESA-N -1 3 284.323 2.113 20 30 CEEDHM CCN(CC)c1ccc(/C=[NH+]\C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000737089483 574808911 /nfs/dbraw/zinc/80/89/11/574808911.db2.gz XDWRXJAOBZAGRY-OKHBPPCESA-N -1 3 278.352 2.378 20 30 CEEDHM CC(C)[C@@](C)(CNC(=O)[O-])NCc1cc(C#N)ccc1F ZINC000738773009 574878023 /nfs/dbraw/zinc/87/80/23/574878023.db2.gz RHOVKFSOBFAIGZ-OAHLLOKOSA-N -1 3 293.342 2.469 20 30 CEEDHM Cc1ncc(CO)c(/C=N/CC(C2CC2)C2CC2)c1[O-] ZINC000743043809 575042034 /nfs/dbraw/zinc/04/20/34/575042034.db2.gz AQLOWRPVBDBELB-CAOOACKPSA-N -1 3 274.364 2.443 20 30 CEEDHM C[C@H](/N=C\c1ccccc1[O-])C(=O)NCc1ccco1 ZINC000743537931 575106135 /nfs/dbraw/zinc/10/61/35/575106135.db2.gz DTCJXGQFDPIXEN-RCEBRVLHSA-N -1 3 272.304 2.109 20 30 CEEDHM [O-]c1ccc(Cl)cc1C=Nn1c(=S)[nH][nH]c1=S ZINC000744762186 575125857 /nfs/dbraw/zinc/12/58/57/575125857.db2.gz XPZPZZPOXJBYFY-UHFFFAOYSA-N -1 3 286.769 2.097 20 30 CEEDHM C[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1nnc2ccccn21 ZINC000745991262 575147039 /nfs/dbraw/zinc/14/70/39/575147039.db2.gz UIWLOYAYZXMIJG-KYZBGHIMSA-N -1 3 298.302 2.026 20 30 CEEDHM CCOc1cc(C=NOCCOC)cc(Cl)c1[O-] ZINC000748789064 575196193 /nfs/dbraw/zinc/19/61/93/575196193.db2.gz LTVYUZOBDPRCRS-UHFFFAOYSA-N -1 3 273.716 2.441 20 30 CEEDHM CCOc1ccc(/C=N\Cc2ccc(C(N)=O)o2)c([O-])c1 ZINC000751891006 575300220 /nfs/dbraw/zinc/30/02/20/575300220.db2.gz REEWRKQONSIHPH-IUXPMGMMSA-N -1 3 288.303 2.102 20 30 CEEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)n1 ZINC000752161969 575306225 /nfs/dbraw/zinc/30/62/25/575306225.db2.gz YHBWEWAHSASPEZ-GFCCVEGCSA-N -1 3 295.298 2.051 20 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N#Cc1cccc(CN2CCCC[C@H]2C(=O)[O-])c1F ZINC000222386512 598172263 /nfs/dbraw/zinc/17/22/63/598172263.db2.gz YHQXGCNRDCRDRR-LBPRGKRZSA-N -1 3 262.284 2.136 20 30 CEEDHM C[C@H](Nc1ncccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820461853 599354612 /nfs/dbraw/zinc/35/46/12/599354612.db2.gz RQDXVDSPXVAIPB-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1ncccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820461853 599354613 /nfs/dbraw/zinc/35/46/13/599354613.db2.gz RQDXVDSPXVAIPB-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C=CCCCOC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823899202 607384252 /nfs/dbraw/zinc/38/42/52/607384252.db2.gz PPOKJNXUSOVMQM-UHFFFAOYSA-N -1 3 272.308 2.298 20 30 CEEDHM C=CCCCOC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823899202 607384254 /nfs/dbraw/zinc/38/42/54/607384254.db2.gz PPOKJNXUSOVMQM-UHFFFAOYSA-N -1 3 272.308 2.298 20 30 CEEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832342566 601297689 /nfs/dbraw/zinc/29/76/89/601297689.db2.gz VKKQYQFHAPJBIA-MRXNPFEDSA-N -1 3 296.326 2.482 20 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DKQUVJNXWCGPSS-UHFFFAOYSA-N -1 3 295.350 2.214 20 30 CEEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccco1 ZINC000822922818 607252101 /nfs/dbraw/zinc/25/21/01/607252101.db2.gz KGPOEPJMVHGCAF-ARJAWSKDSA-N -1 3 272.289 2.417 20 30 CEEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccco1 ZINC000822922818 607252102 /nfs/dbraw/zinc/25/21/02/607252102.db2.gz KGPOEPJMVHGCAF-ARJAWSKDSA-N -1 3 272.289 2.417 20 30 CEEDHM C=CCCC(=O)COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823887991 608095058 /nfs/dbraw/zinc/09/50/58/608095058.db2.gz CPCDNTXZKLKNRK-UHFFFAOYSA-N -1 3 292.726 2.434 20 30 CEEDHM C=CCCC(=O)COc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823887991 608095059 /nfs/dbraw/zinc/09/50/59/608095059.db2.gz CPCDNTXZKLKNRK-UHFFFAOYSA-N -1 3 292.726 2.434 20 30 CEEDHM C=CCC[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823894914 608275048 /nfs/dbraw/zinc/27/50/48/608275048.db2.gz ZOCCBUZBBUYCBM-JTQLQIEISA-N -1 3 272.308 2.378 20 30 CEEDHM C=CCC[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823894914 608275049 /nfs/dbraw/zinc/27/50/49/608275049.db2.gz ZOCCBUZBBUYCBM-JTQLQIEISA-N -1 3 272.308 2.378 20 30 CEEDHM N#Cc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386689 608479565 /nfs/dbraw/zinc/47/95/65/608479565.db2.gz OSLCIJFRANMKRI-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)ccc1F ZINC000826383919 608877196 /nfs/dbraw/zinc/87/71/96/608877196.db2.gz XOMBXPYLAINMEI-DAFODLJHSA-N -1 3 292.277 2.443 20 30 CEEDHM N#Cc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000826383919 608877201 /nfs/dbraw/zinc/87/72/01/608877201.db2.gz XOMBXPYLAINMEI-DAFODLJHSA-N -1 3 292.277 2.443 20 30 CEEDHM C[C@@H](C#N)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824035345 609385162 /nfs/dbraw/zinc/38/51/62/609385162.db2.gz XPLAABHPKWNVKM-ZETCQYMHSA-N -1 3 296.256 2.457 20 30 CEEDHM CC(C)(C#N)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000824058717 609389360 /nfs/dbraw/zinc/38/93/60/609389360.db2.gz BASXDKGLQNKYLH-UHFFFAOYSA-N -1 3 276.731 2.482 20 30 CEEDHM CC(C)(C#N)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000824058717 609389362 /nfs/dbraw/zinc/38/93/62/609389362.db2.gz BASXDKGLQNKYLH-UHFFFAOYSA-N -1 3 276.731 2.482 20 30 CEEDHM C=CCN(CCc1ccco1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823909544 609436712 /nfs/dbraw/zinc/43/67/12/609436712.db2.gz ILHROIUKBPHKPQ-UHFFFAOYSA-N -1 3 296.334 2.090 20 30 CEEDHM C=CCN(CCc1ccco1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823909544 609436714 /nfs/dbraw/zinc/43/67/14/609436714.db2.gz ILHROIUKBPHKPQ-UHFFFAOYSA-N -1 3 296.334 2.090 20 30 CEEDHM C=CCN(CC=C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823904064 609516752 /nfs/dbraw/zinc/51/67/52/609516752.db2.gz UGZGAOHVNWJFKV-UHFFFAOYSA-N -1 3 290.758 2.402 20 30 CEEDHM C=CCN(CC=C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823904064 609516754 /nfs/dbraw/zinc/51/67/54/609516754.db2.gz UGZGAOHVNWJFKV-UHFFFAOYSA-N -1 3 290.758 2.402 20 30 CEEDHM C[C@]1(C#N)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824779865 609600189 /nfs/dbraw/zinc/60/01/89/609600189.db2.gz XRBHYTPKMFUQIM-CQSZACIVSA-N -1 3 286.314 2.136 20 30 CEEDHM C[C@]1(C#N)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824779865 609600191 /nfs/dbraw/zinc/60/01/91/609600191.db2.gz XRBHYTPKMFUQIM-CQSZACIVSA-N -1 3 286.314 2.136 20 30 CEEDHM Cn1nc2c(c1C([O-])=C(C#N)c1ccccn1)CSCC2 ZINC000892481465 625617634 /nfs/dbraw/zinc/61/76/34/625617634.db2.gz PJDMJGOVMBFAIN-SNVBAGLBSA-N -1 3 298.371 2.094 20 30 CEEDHM O=C(NCC#C[C@H]1CCCCO1)c1cc([O-])ccc1Cl ZINC000891121881 623189842 /nfs/dbraw/zinc/18/98/42/623189842.db2.gz NSZNYJZCGBKCOT-GFCCVEGCSA-N -1 3 293.750 2.348 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1csc(C)n1 ZINC000846548064 623392670 /nfs/dbraw/zinc/39/26/70/623392670.db2.gz RPTAOCWVLSETAH-SECBINFHSA-N -1 3 254.355 2.397 20 30 CEEDHM CCC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820477489 634423087 /nfs/dbraw/zinc/42/30/87/634423087.db2.gz ZKIJLWPXZHEUSD-KBPBESRZSA-N -1 3 296.411 2.479 20 30 CEEDHM C=CCNN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000795002862 629399608 /nfs/dbraw/zinc/39/96/08/629399608.db2.gz BWTARXIXJGLYGP-UHFFFAOYSA-N -1 3 285.141 2.273 20 30 CEEDHM Cc1cc(F)c(C#N)c(N2Cc3nc(C)[n-]c(=O)c3C2)c1 ZINC000894800745 629647691 /nfs/dbraw/zinc/64/76/91/629647691.db2.gz FJBVIEVQJWDYPN-UHFFFAOYSA-N -1 3 284.294 2.330 20 30 CEEDHM CC[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000049015573 629737875 /nfs/dbraw/zinc/73/78/75/629737875.db2.gz DUINVUQIDFGXQH-SECBINFHSA-N -1 3 276.336 2.138 20 30 CEEDHM CSCCO[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000794188101 629923241 /nfs/dbraw/zinc/92/32/41/629923241.db2.gz MJTKOXPQBVIMGR-CYBMUJFWSA-N -1 3 278.377 2.485 20 30 CEEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797456179 630241227 /nfs/dbraw/zinc/24/12/27/630241227.db2.gz KUCRZSYMQLWHTM-SSDOTTSWSA-N -1 3 278.160 2.293 20 30 CEEDHM C=CCO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000821892189 634819822 /nfs/dbraw/zinc/81/98/22/634819822.db2.gz XQGKTQFEIJIDEG-UHFFFAOYSA-N -1 3 284.699 2.415 20 30 CEEDHM N#CC[C@@H](NCc1ccc([O-])c(F)c1)C(F)(F)F ZINC000896698584 630643028 /nfs/dbraw/zinc/64/30/28/630643028.db2.gz JOQUUPZLNJSPAV-SNVBAGLBSA-N -1 3 262.206 2.465 20 30 CEEDHM CCCCN([O-])C(=O)[C@H]1CCCCN1C(=O)CCC ZINC000904210562 635501736 /nfs/dbraw/zinc/50/17/36/635501736.db2.gz SXCCEWUVZAOFEJ-GFCCVEGCSA-N -1 3 270.373 2.186 20 30 CEEDHM CCOC(=O)c1ncc(NC(=O)c2ccc(C)c(C#N)c2)[n-]1 ZINC000799729768 631072689 /nfs/dbraw/zinc/07/26/89/631072689.db2.gz RJRZHTHGUHVPIS-UHFFFAOYSA-N -1 3 298.302 2.019 20 30 CEEDHM CCOC(=O)c1nc(NC(=O)c2ccc(C)c(C#N)c2)c[n-]1 ZINC000799729768 631072694 /nfs/dbraw/zinc/07/26/94/631072694.db2.gz RJRZHTHGUHVPIS-UHFFFAOYSA-N -1 3 298.302 2.019 20 30 CEEDHM COCCCn1c(=O)[n-]nc1SCC1(C#N)CCCC1 ZINC000806586054 631756465 /nfs/dbraw/zinc/75/64/65/631756465.db2.gz SEKUWPBNNAKUFQ-UHFFFAOYSA-N -1 3 296.396 2.196 20 30 CEEDHM COc1cc(C=NN[C@@H]2CCSC2)cc(Cl)c1[O-] ZINC000808000325 631903345 /nfs/dbraw/zinc/90/33/45/631903345.db2.gz JTPRKQMOAZHMEN-SECBINFHSA-N -1 3 286.784 2.483 20 30 CEEDHM Cc1ncc(CO)c(C=Nc2cccc3c2COC3=O)c1[O-] ZINC000809144349 632060648 /nfs/dbraw/zinc/06/06/48/632060648.db2.gz LEQPMLLTOOESAV-UHFFFAOYSA-N -1 3 298.298 2.009 20 30 CEEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898220570 632095249 /nfs/dbraw/zinc/09/52/49/632095249.db2.gz DWUYBMUHUWHRON-IINYFYTJSA-N -1 3 263.341 2.034 20 30 CEEDHM C=CCC1(C(=O)NCc2nc(C)cc(=O)[n-]2)CCCC1 ZINC000898258674 632129989 /nfs/dbraw/zinc/12/99/89/632129989.db2.gz WGAUQOYLTKBBEG-UHFFFAOYSA-N -1 3 275.352 2.243 20 30 CEEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)OC(C)(C)C ZINC000811188528 632355041 /nfs/dbraw/zinc/35/50/41/632355041.db2.gz NCICNTCSWAFUQW-SECBINFHSA-N -1 3 291.303 2.151 20 30 CEEDHM CC(C)(C)OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187761 632355209 /nfs/dbraw/zinc/35/52/09/632355209.db2.gz XFLNOXCBLXXEMW-UHFFFAOYSA-N -1 3 263.293 2.236 20 30 CEEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccc2[nH]ccc2c1 ZINC000811638991 632411829 /nfs/dbraw/zinc/41/18/29/632411829.db2.gz KVLATNLYWGWQPW-UHFFFAOYSA-N -1 3 277.291 2.280 20 30 CEEDHM C=CCCO[N-]C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC000898938843 632656462 /nfs/dbraw/zinc/65/64/62/632656462.db2.gz 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COc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000046439978 362181691 /nfs/dbraw/zinc/18/16/91/362181691.db2.gz ZHMKRYMJLAJAEK-LLVKDONJSA-N -1 3 297.270 2.488 20 30 CEEDHM Cc1[n-]n(Cc2ccc(C#N)cc2)c(=O)c1C1CC1 ZINC000601944531 346936750 /nfs/dbraw/zinc/93/67/50/346936750.db2.gz IIMOYNOPMWNOSU-CQSZACIVSA-N -1 3 253.305 2.303 20 30 CEEDHM CCN(C[C@H](C)C#N)C(=O)c1cccc(OC)c1[O-] ZINC000044413270 343471315 /nfs/dbraw/zinc/47/13/15/343471315.db2.gz SOGYWBZOJDRWLA-SNVBAGLBSA-N -1 3 262.309 2.023 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(F)c1 ZINC000127783490 365763443 /nfs/dbraw/zinc/76/34/43/365763443.db2.gz NMAUXKUPDLPMSO-NSHDSACASA-N -1 3 280.324 2.084 20 30 CEEDHM N#CC1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000128275406 365782569 /nfs/dbraw/zinc/78/25/69/365782569.db2.gz IEDSBZWXMIGPGF-UHFFFAOYSA-N -1 3 278.739 2.350 20 30 CEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(F)c[n-]c2=O)C1 ZINC000602102152 346974483 /nfs/dbraw/zinc/97/44/83/346974483.db2.gz LFPVVPKAJRFGTO-OTYXRUKQSA-N -1 3 277.299 2.129 20 30 CEEDHM Cc1nocc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000602301423 347007872 /nfs/dbraw/zinc/00/78/72/347007872.db2.gz WFISAXGKLUFWDD-UHFFFAOYSA-N -1 3 282.303 2.381 20 30 CEEDHM Cc1cccc(C(=O)NCC#Cc2ccccc2)c1[O-] ZINC000078500734 343955045 /nfs/dbraw/zinc/95/50/45/343955045.db2.gz RQETURJOMULBOA-UHFFFAOYSA-N -1 3 265.312 2.482 20 30 CEEDHM CCCN(CC#N)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000094034685 344233482 /nfs/dbraw/zinc/23/34/82/344233482.db2.gz RJZXVKAJLSWEOA-UHFFFAOYSA-N -1 3 288.347 2.481 20 30 CEEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000092864814 344205691 /nfs/dbraw/zinc/20/56/91/344205691.db2.gz CRCXLIIWRGUGPR-NSHDSACASA-N -1 3 288.319 2.076 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000493773515 344919894 /nfs/dbraw/zinc/91/98/94/344919894.db2.gz XEHOPOFAIICKIK-GXMKHXEJSA-N -1 3 277.320 2.339 20 30 CEEDHM CCc1cc(C(=O)N2CC[C@](F)(C#N)C2)ccc1[O-] ZINC000589848733 345102045 /nfs/dbraw/zinc/10/20/45/345102045.db2.gz BYDIOFBXVVWONR-AWEZNQCLSA-N -1 3 262.284 2.032 20 30 CEEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCC(F)(F)C1 ZINC000593565382 345507302 /nfs/dbraw/zinc/50/73/02/345507302.db2.gz HOKCILXOETVSQG-SSDOTTSWSA-N -1 3 292.332 2.086 20 30 CEEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593276090 345460937 /nfs/dbraw/zinc/46/09/37/345460937.db2.gz MZOWVIDEMDWKDA-MRVPVSSYSA-N -1 3 290.747 2.450 20 30 CEEDHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593604682 345511815 /nfs/dbraw/zinc/51/18/15/345511815.db2.gz AUKQGZGNJKSUFX-NEPJUHHUSA-N -1 3 284.406 2.333 20 30 CEEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000593612219 345513286 /nfs/dbraw/zinc/51/32/86/345513286.db2.gz YYWHNNDBCZSFKE-QWRGUYRKSA-N -1 3 296.417 2.334 20 30 CEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000594801752 345687653 /nfs/dbraw/zinc/68/76/53/345687653.db2.gz FUNRLBDGMMMNKB-ZWNOBZJWSA-N -1 3 296.779 2.433 20 30 CEEDHM CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000595361252 345769153 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ZINC000597970632 346260315 /nfs/dbraw/zinc/26/03/15/346260315.db2.gz UQUNSFFQZMVVHE-UHFFFAOYSA-N -1 3 291.376 2.308 20 30 CEEDHM N#CC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000597916455 346252841 /nfs/dbraw/zinc/25/28/41/346252841.db2.gz NBDVLJXUXGVDNC-LBPRGKRZSA-N -1 3 295.342 2.294 20 30 CEEDHM CCOc1nc2ccc(C(=O)N(CC)[C@H](C)C#N)cc2[n-]1 ZINC000598361433 346338650 /nfs/dbraw/zinc/33/86/50/346338650.db2.gz IQEZDOXDXCHSCW-SNVBAGLBSA-N -1 3 286.335 2.336 20 30 CEEDHM CCOc1nc2cc(C(=O)N(CC)[C@H](C)C#N)ccc2[n-]1 ZINC000598361433 346338655 /nfs/dbraw/zinc/33/86/55/346338655.db2.gz IQEZDOXDXCHSCW-SNVBAGLBSA-N -1 3 286.335 2.336 20 30 CEEDHM CC1CC(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000598622879 346386879 /nfs/dbraw/zinc/38/68/79/346386879.db2.gz OLEUIENFZWHQAQ-UHFFFAOYSA-N -1 3 282.340 2.022 20 30 CEEDHM C[C@@H](C#N)CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598687506 346400804 /nfs/dbraw/zinc/40/08/04/346400804.db2.gz CUXGSLFTYZXEAC-ZETCQYMHSA-N -1 3 272.226 2.300 20 30 CEEDHM Cc1ccc(S(=O)(=O)[N-]CCCCC#N)c(F)c1F ZINC000599229707 346482030 /nfs/dbraw/zinc/48/20/30/346482030.db2.gz IRPTXPDHUXTULK-UHFFFAOYSA-N -1 3 288.319 2.245 20 30 CEEDHM CCC(F)(F)C[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000599433377 346518487 /nfs/dbraw/zinc/51/84/87/346518487.db2.gz DZBKWDOOVGBNHZ-UHFFFAOYSA-N -1 3 288.319 2.190 20 30 CEEDHM C[C@H](SCCc1nnn[n-]1)c1cccc(C#N)c1 ZINC000603340626 347343614 /nfs/dbraw/zinc/34/36/14/347343614.db2.gz KVXMPXNVCFTQKZ-VIFPVBQESA-N -1 3 259.338 2.108 20 30 CEEDHM C[C@H](SCCc1nn[n-]n1)c1cccc(C#N)c1 ZINC000603340626 347343617 /nfs/dbraw/zinc/34/36/17/347343617.db2.gz KVXMPXNVCFTQKZ-VIFPVBQESA-N -1 3 259.338 2.108 20 30 CEEDHM CCC(C#N)=C([O-])N=c1[nH][nH]c(C)c1-c1cccc(F)c1 ZINC000603204773 347308193 /nfs/dbraw/zinc/30/81/93/347308193.db2.gz YTCPKEUHOVLFLK-JTQLQIEISA-N -1 3 286.310 2.434 20 30 CEEDHM C=C(C)[C@@H](CC(=O)Nc1nc(C)ccc1[O-])OCC ZINC000273479941 192168216 /nfs/dbraw/zinc/16/82/16/192168216.db2.gz KWKOBZCMPSFHBM-GFCCVEGCSA-N -1 3 264.325 2.405 20 30 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574757739 /nfs/dbraw/zinc/75/77/39/574757739.db2.gz RGTAQGFQYKBROG-UHFFFAOYSA-N -1 3 296.334 2.043 20 30 CEEDHM C=CCN(Cc1ccon1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426525 574757742 /nfs/dbraw/zinc/75/77/42/574757742.db2.gz RGTAQGFQYKBROG-UHFFFAOYSA-N -1 3 296.334 2.043 20 30 CEEDHM C=C1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402234 574756274 /nfs/dbraw/zinc/75/62/74/574756274.db2.gz NJQCYSIAUQITKV-UHFFFAOYSA-N -1 3 284.323 2.051 20 30 CEEDHM C=C1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402234 574756276 /nfs/dbraw/zinc/75/62/76/574756276.db2.gz NJQCYSIAUQITKV-UHFFFAOYSA-N -1 3 284.323 2.051 20 30 CEEDHM CC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735593273 574762603 /nfs/dbraw/zinc/76/26/03/574762603.db2.gz HQPWYEISNHDENH-UHFFFAOYSA-N -1 3 284.323 2.113 20 30 CEEDHM CC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735593273 574762604 /nfs/dbraw/zinc/76/26/04/574762604.db2.gz HQPWYEISNHDENH-UHFFFAOYSA-N -1 3 284.323 2.113 20 30 CEEDHM CC1(C)C(N=Nc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCO[C@@H]21 ZINC000736206100 574778095 /nfs/dbraw/zinc/77/80/95/574778095.db2.gz MNELHOFBROJDHK-AAEUAGOBSA-N -1 3 298.350 2.080 20 30 CEEDHM CC1(C)C(N=Nc2cccc(-c3nn[n-]n3)c2)[C@@H]2CCO[C@@H]21 ZINC000736206100 574778096 /nfs/dbraw/zinc/77/80/96/574778096.db2.gz MNELHOFBROJDHK-AAEUAGOBSA-N -1 3 298.350 2.080 20 30 CEEDHM CCC(CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736337543 574783476 /nfs/dbraw/zinc/78/34/76/574783476.db2.gz KJEBFOKEIYUMKN-UHFFFAOYSA-N -1 3 284.323 2.113 20 30 CEEDHM CCC(CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736337543 574783477 /nfs/dbraw/zinc/78/34/77/574783477.db2.gz KJEBFOKEIYUMKN-UHFFFAOYSA-N -1 3 284.323 2.113 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000736341927 574783957 /nfs/dbraw/zinc/78/39/57/574783957.db2.gz HOLKGIOYKPYUOA-UHFFFAOYSA-N -1 3 291.159 2.242 20 30 CEEDHM C=C(C)CNC(=S)NCc1ccc([O-])c(F)c1 ZINC000737459564 574835285 /nfs/dbraw/zinc/83/52/85/574835285.db2.gz AOXITKRJYHMWQN-UHFFFAOYSA-N -1 3 254.330 2.072 20 30 CEEDHM CC#CCN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738502394 574866236 /nfs/dbraw/zinc/86/62/36/574866236.db2.gz CEHWHRQSAHPDEA-OLZOCXBDSA-N -1 3 250.342 2.007 20 30 CEEDHM N#Cc1ccc(CNC[C@@H]2CCCN(C(=O)[O-])C2)c(F)c1 ZINC000740315070 574952097 /nfs/dbraw/zinc/95/20/97/574952097.db2.gz KQQVTFCKXKIURR-LBPRGKRZSA-N -1 3 291.326 2.177 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1sccc1C ZINC000742299534 575014337 /nfs/dbraw/zinc/01/43/37/575014337.db2.gz UEQYPBRLTXCRJH-UHFFFAOYSA-N -1 3 251.760 2.087 20 30 CEEDHM [O-]c1ccc2ccccc2c1/C=N\Cc1nnnn1C1CC1 ZINC000743044816 575041939 /nfs/dbraw/zinc/04/19/39/575041939.db2.gz RPBFTWIRZNTUSF-MFOYZWKCSA-N -1 3 293.330 2.486 20 30 CEEDHM C#CCCCNC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000743731477 575109236 /nfs/dbraw/zinc/10/92/36/575109236.db2.gz RSRLMLUHYBNAMB-UHFFFAOYSA-N -1 3 257.333 2.414 20 30 CEEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccccc1 ZINC000743448285 575104377 /nfs/dbraw/zinc/10/43/77/575104377.db2.gz IOEMQTOTIHUKML-UHFFFAOYSA-N -1 3 288.372 2.183 20 30 CEEDHM N#CC(=C([O-])C1=COCC1)c1nc2ccccc2[nH]1 ZINC000744010129 575112107 /nfs/dbraw/zinc/11/21/07/575112107.db2.gz DQAIBPRQGFWBHL-SNVBAGLBSA-N -1 3 253.261 2.043 20 30 CEEDHM [O-]c1c(O)ccc(/C=N/Cc2ccc3c(c2)CCO3)c1O ZINC000750949973 575280451 /nfs/dbraw/zinc/28/04/51/575280451.db2.gz LQRHJFKIMAOHIV-RQZCQDPDSA-N -1 3 285.299 2.357 20 30 CEEDHM Cc1nc(-c2ccc(OC(=O)c3ccc(C#N)[n-]3)cc2)no1 ZINC000752473830 575310503 /nfs/dbraw/zinc/31/05/03/575310503.db2.gz LQBAJHLYSUMYDU-UHFFFAOYSA-N -1 3 294.270 2.464 20 30 CEEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC=CCC1 ZINC000819718719 607252996 /nfs/dbraw/zinc/25/29/96/607252996.db2.gz OKGONSVLXMYFEV-LBPRGKRZSA-N -1 3 282.351 2.298 20 30 CEEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC=CCC1 ZINC000819718719 607252997 /nfs/dbraw/zinc/25/29/97/607252997.db2.gz OKGONSVLXMYFEV-LBPRGKRZSA-N -1 3 282.351 2.298 20 30 CEEDHM C[C@@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820696913 607253406 /nfs/dbraw/zinc/25/34/06/607253406.db2.gz CWPVVMMKEXRPTK-SNVBAGLBSA-N -1 3 270.340 2.132 20 30 CEEDHM C[C@@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820696913 607253407 /nfs/dbraw/zinc/25/34/07/607253407.db2.gz CWPVVMMKEXRPTK-SNVBAGLBSA-N -1 3 270.340 2.132 20 30 CEEDHM CN(CC#Cc1ccc(C(F)(F)F)cc1)CCC(=O)[O-] ZINC000818394976 596995489 /nfs/dbraw/zinc/99/54/89/596995489.db2.gz ZBWYJGJJHMOFIU-UHFFFAOYSA-N -1 3 285.265 2.463 20 30 CEEDHM C=CCN(CC=C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819740068 607281874 /nfs/dbraw/zinc/28/18/74/607281874.db2.gz NIZKTNYVWUSDFF-UHFFFAOYSA-N -1 3 298.350 2.381 20 30 CEEDHM C=CCN(CC=C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819740068 607281875 /nfs/dbraw/zinc/28/18/75/607281875.db2.gz NIZKTNYVWUSDFF-UHFFFAOYSA-N -1 3 298.350 2.381 20 30 CEEDHM C=C(C)CN(CC)c1ccc(-c2nn[n-]n2)cc1F ZINC000095291588 607303634 /nfs/dbraw/zinc/30/36/34/607303634.db2.gz DSZWUAPIWOPOBO-UHFFFAOYSA-N -1 3 261.304 2.408 20 30 CEEDHM N#Cc1ccccc1CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC000821340609 598193673 /nfs/dbraw/zinc/19/36/73/598193673.db2.gz QLZCWLGLSLUEHK-MRXNPFEDSA-N -1 3 280.327 2.344 20 30 CEEDHM N#CC(C(=O)CCNC(=O)[O-])c1ccc2ccccc2n1 ZINC000739073678 599798011 /nfs/dbraw/zinc/79/80/11/599798011.db2.gz FJSAHKBLRNNBOB-LLVKDONJSA-N -1 3 283.287 2.069 20 30 CEEDHM N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccccn1 ZINC000833063915 601237124 /nfs/dbraw/zinc/23/71/24/601237124.db2.gz NQQIRGRCDNPDHU-TUAOUCFPSA-N -1 3 272.304 2.149 20 30 CEEDHM C#CCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000823845415 607711312 /nfs/dbraw/zinc/71/13/12/607711312.db2.gz RCQRDIHHHXDIDC-UHFFFAOYSA-N -1 3 285.376 2.256 20 30 CEEDHM C#CCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000823845415 607711314 /nfs/dbraw/zinc/71/13/14/607711314.db2.gz RCQRDIHHHXDIDC-UHFFFAOYSA-N -1 3 285.376 2.256 20 30 CEEDHM C=CCSCCNCc1cc(C(=O)[O-])c(C)o1 ZINC000231953897 605090146 /nfs/dbraw/zinc/09/01/46/605090146.db2.gz XFYMEKIDUXIKIT-UHFFFAOYSA-N -1 3 255.339 2.295 20 30 CEEDHM C=CCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734554 606289382 /nfs/dbraw/zinc/28/93/82/606289382.db2.gz RADNQGDDYSJEGP-NSHDSACASA-N -1 3 285.351 2.400 20 30 CEEDHM C=CCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734554 606289384 /nfs/dbraw/zinc/28/93/84/606289384.db2.gz RADNQGDDYSJEGP-NSHDSACASA-N -1 3 285.351 2.400 20 30 CEEDHM CCCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000821027180 606732206 /nfs/dbraw/zinc/73/22/06/606732206.db2.gz LRONLCFXDNSDGU-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CCCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000821027180 606732208 /nfs/dbraw/zinc/73/22/08/606732208.db2.gz LRONLCFXDNSDGU-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CCCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000821027183 606732602 /nfs/dbraw/zinc/73/26/02/606732602.db2.gz LSQJLFBEXKMJPX-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM CCCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC1 ZINC000821027183 606732603 /nfs/dbraw/zinc/73/26/03/606732603.db2.gz LSQJLFBEXKMJPX-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822233815 606777082 /nfs/dbraw/zinc/77/70/82/606777082.db2.gz VRMAOGKCSLEIOA-UHFFFAOYSA-N -1 3 279.307 2.016 20 30 CEEDHM C=C(C)COCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819722523 606791135 /nfs/dbraw/zinc/79/11/35/606791135.db2.gz LPAKNTFUOCQWQY-UHFFFAOYSA-N -1 3 295.293 2.150 20 30 CEEDHM C=C(C)COCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819722523 606791137 /nfs/dbraw/zinc/79/11/37/606791137.db2.gz LPAKNTFUOCQWQY-UHFFFAOYSA-N -1 3 295.293 2.150 20 30 CEEDHM C=C[C@H](C)Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819729770 606801925 /nfs/dbraw/zinc/80/19/25/606801925.db2.gz MMKKLZHEQDBHQF-LURJTMIESA-N -1 3 251.240 2.131 20 30 CEEDHM C=C[C@H](C)Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819729770 606801927 /nfs/dbraw/zinc/80/19/27/606801927.db2.gz MMKKLZHEQDBHQF-LURJTMIESA-N -1 3 251.240 2.131 20 30 CEEDHM C#CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819693868 606953974 /nfs/dbraw/zinc/95/39/74/606953974.db2.gz XTNQYJSNGUHZNX-UHFFFAOYSA-N -1 3 298.350 2.100 20 30 CEEDHM C#CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819693868 606953975 /nfs/dbraw/zinc/95/39/75/606953975.db2.gz XTNQYJSNGUHZNX-UHFFFAOYSA-N -1 3 298.350 2.100 20 30 CEEDHM C=C1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000819729174 606969559 /nfs/dbraw/zinc/96/95/59/606969559.db2.gz DVVCIFBIQRXLOG-UHFFFAOYSA-N -1 3 273.315 2.158 20 30 CEEDHM CCN(C[C@@H](C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399106 608154444 /nfs/dbraw/zinc/15/44/44/608154444.db2.gz IXHLBAOTDJNAPI-RYUDHWBXSA-N -1 3 284.367 2.409 20 30 CEEDHM C=C(CC)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000823877953 608289089 /nfs/dbraw/zinc/28/90/89/608289089.db2.gz KPXVABUENRBEBF-UHFFFAOYSA-N -1 3 260.297 2.220 20 30 CEEDHM C=C(CC)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000823877953 608289091 /nfs/dbraw/zinc/28/90/91/608289091.db2.gz KPXVABUENRBEBF-UHFFFAOYSA-N -1 3 260.297 2.220 20 30 CEEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000823838204 608300795 /nfs/dbraw/zinc/30/07/95/608300795.db2.gz LTMBKHCEOSUYLA-UHFFFAOYSA-N -1 3 299.334 2.007 20 30 CEEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000823838204 608300796 /nfs/dbraw/zinc/30/07/96/608300796.db2.gz LTMBKHCEOSUYLA-UHFFFAOYSA-N -1 3 299.334 2.007 20 30 CEEDHM N#Cc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826386600 608479913 /nfs/dbraw/zinc/47/99/13/608479913.db2.gz LNCSTWHMLVVEPW-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM N#Cc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826386600 608479915 /nfs/dbraw/zinc/47/99/15/608479915.db2.gz LNCSTWHMLVVEPW-UHFFFAOYSA-N -1 3 294.293 2.490 20 30 CEEDHM C=CC[C@H]1CCN1C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000890552740 622594763 /nfs/dbraw/zinc/59/47/63/622594763.db2.gz NQJUHTIMRGNHBD-LBPRGKRZSA-N -1 3 259.305 2.385 20 30 CEEDHM COc1cc(C=NOC/C=C\Cl)c([N+](=O)[O-])cc1[O-] ZINC000811671098 622712744 /nfs/dbraw/zinc/71/27/44/622712744.db2.gz NUTRWIHEERCHNZ-GBFPUANKSA-N -1 3 286.671 2.412 20 30 CEEDHM C#CCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000804834450 622992596 /nfs/dbraw/zinc/99/25/96/622992596.db2.gz FGUJGXBPAMIUJZ-UHFFFAOYSA-N -1 3 281.311 2.373 20 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283.671 2.209 20 30 CEEDHM Cc1cc(C)c(C/N=C\c2c([O-])c(C)ncc2CO)cn1 ZINC000840709348 630806491 /nfs/dbraw/zinc/80/64/91/630806491.db2.gz IYZVJDMVJUMYMA-IUXPMGMMSA-N -1 3 285.347 2.219 20 30 CEEDHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1C#N ZINC000799496947 631333722 /nfs/dbraw/zinc/33/37/22/631333722.db2.gz BGJWKHMLKOROGF-HWKANZROSA-N -1 3 253.261 2.233 20 30 CEEDHM C=CCCCC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888117900 631366093 /nfs/dbraw/zinc/36/60/93/631366093.db2.gz XZDRQBQCPYTSRT-UHFFFAOYSA-N -1 3 265.313 2.270 20 30 CEEDHM C=CCCCC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888117900 631366098 /nfs/dbraw/zinc/36/60/98/631366098.db2.gz XZDRQBQCPYTSRT-UHFFFAOYSA-N -1 3 265.313 2.270 20 30 CEEDHM C=C1CCC(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000897435414 631472424 /nfs/dbraw/zinc/47/24/24/631472424.db2.gz IZNJHQBDXYKWPM-UHFFFAOYSA-N -1 3 288.273 2.186 20 30 CEEDHM N#Cc1ccncc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000808013284 631907954 /nfs/dbraw/zinc/90/79/54/631907954.db2.gz VFEQPCLFSHXTHE-UHFFFAOYSA-N 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CEEDHM CC(=NO[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823963084 607890266 /nfs/dbraw/zinc/89/02/66/607890266.db2.gz VGFGOTGGQPOEMI-ZDUSSCGKSA-N -1 3 287.323 2.134 20 30 CEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnccc1C ZINC000823958765 608217867 /nfs/dbraw/zinc/21/78/67/608217867.db2.gz VLFSYJKGTYTMET-UHFFFAOYSA-N -1 3 293.334 2.406 20 30 CEEDHM C#CCCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823841356 608265133 /nfs/dbraw/zinc/26/51/33/608265133.db2.gz LNFVCDVSPKBOSJ-UHFFFAOYSA-N -1 3 262.700 2.312 20 30 CEEDHM C#CCCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823841356 608265134 /nfs/dbraw/zinc/26/51/34/608265134.db2.gz LNFVCDVSPKBOSJ-UHFFFAOYSA-N -1 3 262.700 2.312 20 30 CEEDHM C#CCCCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823838884 608292470 /nfs/dbraw/zinc/29/24/70/608292470.db2.gz WEZKFECHTOQLFD-LBPRGKRZSA-N -1 3 297.362 2.238 20 30 CEEDHM C#CCCCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823838884 608292471 /nfs/dbraw/zinc/29/24/71/608292471.db2.gz WEZKFECHTOQLFD-LBPRGKRZSA-N -1 3 297.362 2.238 20 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289.364 2.115 20 30 CEEDHM C=C(C)CSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095130931 606178996 /nfs/dbraw/zinc/17/89/96/606178996.db2.gz LHADJPKEQWRUCF-UHFFFAOYSA-N -1 3 289.364 2.115 20 30 CEEDHM C[C@@H](OC(=O)C(C)(C)C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481710 606338450 /nfs/dbraw/zinc/33/84/50/606338450.db2.gz YRQRJPCJIFSBNB-SECBINFHSA-N -1 3 285.307 2.021 20 30 CEEDHM C[C@@H](OC(=O)C(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481710 606338451 /nfs/dbraw/zinc/33/84/51/606338451.db2.gz YRQRJPCJIFSBNB-SECBINFHSA-N -1 3 285.307 2.021 20 30 CEEDHM C=CCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734943 606345256 /nfs/dbraw/zinc/34/52/56/606345256.db2.gz YAXHRVHTWPQTTM-JTQLQIEISA-N -1 3 272.308 2.437 20 30 CEEDHM C=CCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734943 606345258 /nfs/dbraw/zinc/34/52/58/606345258.db2.gz YAXHRVHTWPQTTM-JTQLQIEISA-N -1 3 272.308 2.437 20 30 CEEDHM C[C@H](OC(=O)C1(C#N)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820487803 606359664 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262.309 2.042 20 30 CEEDHM C[C@@H](C/N=C/c1ccc(O)c([O-])c1O)c1ccncc1 ZINC000749843654 574448101 /nfs/dbraw/zinc/44/81/01/574448101.db2.gz CXYVONNHIPEWMV-VJCPFXPRSA-N -1 3 272.304 2.421 20 30 CEEDHM C#CCOc1ccc(CNC[C@@H](NC(=O)[O-])C(C)C)cc1 ZINC000738467491 574458786 /nfs/dbraw/zinc/45/87/86/574458786.db2.gz MLXVJILGQAFCDB-OAHLLOKOSA-N -1 3 290.363 2.080 20 30 CEEDHM C#CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000751239453 574466806 /nfs/dbraw/zinc/46/68/06/574466806.db2.gz AAQPSSSDGNBPHZ-UHFFFAOYSA-N -1 3 285.777 2.466 20 30 CEEDHM CCCCC1N=NC(=S)N1N=Cc1nc(C)ccc1[O-] ZINC000728778458 574469398 /nfs/dbraw/zinc/46/93/98/574469398.db2.gz RBSPYLIWDAWXHI-UHFFFAOYSA-N -1 3 291.380 2.201 20 30 CEEDHM N#Cc1ccc(NC(=O)CC2CCCC2)cc1-c1nnn[n-]1 ZINC000737717140 574520648 /nfs/dbraw/zinc/52/06/48/574520648.db2.gz ZSEPSTHJAWTHGQ-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM N#Cc1ccc(NC(=O)CC2CCCC2)cc1-c1nn[n-]n1 ZINC000737717140 574520649 /nfs/dbraw/zinc/52/06/49/574520649.db2.gz ZSEPSTHJAWTHGQ-UHFFFAOYSA-N -1 3 296.334 2.257 20 30 CEEDHM N#Cc1ccc(CNc2ccccc2-c2nnn[n-]2)cc1 ZINC000737717521 574521233 /nfs/dbraw/zinc/52/12/33/574521233.db2.gz FEOOMHNEXUUBEF-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM N#Cc1ccc(CNc2ccccc2-c2nn[n-]n2)cc1 ZINC000737717521 574521234 /nfs/dbraw/zinc/52/12/34/574521234.db2.gz FEOOMHNEXUUBEF-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM CCCCCCCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000754809399 574606458 /nfs/dbraw/zinc/60/64/58/574606458.db2.gz WFQNLIVQJBWTGS-UHFFFAOYSA-N -1 3 273.402 2.059 20 30 CEEDHM CS(=O)(=O)c1ccccc1NN=Cc1ccccc1[O-] ZINC000731934187 574607248 /nfs/dbraw/zinc/60/72/48/574607248.db2.gz VKCLFDLFHJQQJM-UHFFFAOYSA-N -1 3 290.344 2.242 20 30 CEEDHM COc1cccc([O-])c1/C=N\C[C@@H](OC)C(F)(F)F ZINC000733205139 574657645 /nfs/dbraw/zinc/65/76/45/574657645.db2.gz LMEPYZGCTSEHEX-HYDYUIDNSA-N -1 3 277.242 2.397 20 30 CEEDHM C=CCCC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735410154 574755270 /nfs/dbraw/zinc/75/52/70/574755270.db2.gz VNLNCDBWIYMWEQ-UHFFFAOYSA-N -1 3 297.362 2.348 20 30 CEEDHM C=CCCC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735410154 574755272 /nfs/dbraw/zinc/75/52/72/574755272.db2.gz VNLNCDBWIYMWEQ-UHFFFAOYSA-N -1 3 297.362 2.348 20 30 CEEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C1CC1 ZINC000735975827 574772995 /nfs/dbraw/zinc/77/29/95/574772995.db2.gz JOIBJUFZQPTZKP-VIFPVBQESA-N -1 3 296.334 2.113 20 30 CEEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C1CC1 ZINC000735975827 574772996 /nfs/dbraw/zinc/77/29/96/574772996.db2.gz JOIBJUFZQPTZKP-VIFPVBQESA-N -1 3 296.334 2.113 20 30 CEEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736259586 574780323 /nfs/dbraw/zinc/78/03/23/574780323.db2.gz FKMZPKSFOWKQRE-SECBINFHSA-N -1 3 256.313 2.455 20 30 CEEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736259586 574780324 /nfs/dbraw/zinc/78/03/24/574780324.db2.gz FKMZPKSFOWKQRE-SECBINFHSA-N -1 3 256.313 2.455 20 30 CEEDHM CCC[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736418334 574787298 /nfs/dbraw/zinc/78/72/98/574787298.db2.gz CMWGNPBFDNGVKG-SECBINFHSA-N -1 3 284.323 2.113 20 30 CEEDHM CCC[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736418334 574787299 /nfs/dbraw/zinc/78/72/99/574787299.db2.gz CMWGNPBFDNGVKG-SECBINFHSA-N -1 3 284.323 2.113 20 30 CEEDHM CC(C)N(CCNC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000738848725 574803094 /nfs/dbraw/zinc/80/30/94/574803094.db2.gz ROHRMZZWNYVHIL-UHFFFAOYSA-N -1 3 261.325 2.036 20 30 CEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cncc(F)c1 ZINC000737800642 574845137 /nfs/dbraw/zinc/84/51/37/574845137.db2.gz ZSKMUDQHEGNZKK-ZZXKWVIFSA-N -1 3 295.277 2.297 20 30 CEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cncc(F)c1 ZINC000737800642 574845138 /nfs/dbraw/zinc/84/51/38/574845138.db2.gz ZSKMUDQHEGNZKK-ZZXKWVIFSA-N -1 3 295.277 2.297 20 30 CEEDHM C=CCc1cc(OCC)cc(C[N@H+](C)CC(=O)[O-])c1[O-] ZINC000738502316 574866381 /nfs/dbraw/zinc/86/63/81/574866381.db2.gz AUZPWVZLIZIPAR-UHFFFAOYSA-N -1 3 279.336 2.036 20 30 CEEDHM C=CCc1cc(OCC)cc(C[N@@H+](C)CC(=O)[O-])c1[O-] ZINC000738502316 574866382 /nfs/dbraw/zinc/86/63/82/574866382.db2.gz AUZPWVZLIZIPAR-UHFFFAOYSA-N -1 3 279.336 2.036 20 30 CEEDHM Cn1cc(N2CCC[C@H](/N=C\c3ccccc3[O-])C2)cn1 ZINC000741464036 574987877 /nfs/dbraw/zinc/98/78/77/574987877.db2.gz KDVMPAPVPYDTPA-DUPVFGOHSA-N -1 3 284.363 2.214 20 30 CEEDHM Cn1cnc2cc(N=Cc3ccc(O)c([O-])c3O)ccc21 ZINC000743502230 575105597 /nfs/dbraw/zinc/10/55/97/575105597.db2.gz WVIWKFLKXDNWEY-UHFFFAOYSA-N -1 3 283.287 2.441 20 30 CEEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])C=CC1CC1 ZINC000744027876 575112364 /nfs/dbraw/zinc/11/23/64/575112364.db2.gz BZXNVIKLBNYALF-YXVBKTCISA-N -1 3 254.289 2.300 20 30 CEEDHM CCOc1ccc(/C=N/Cc2ccc(C(N)=O)o2)c([O-])c1 ZINC000751891005 575300144 /nfs/dbraw/zinc/30/01/44/575300144.db2.gz REEWRKQONSIHPH-CAOOACKPSA-N -1 3 288.303 2.102 20 30 CEEDHM CCCCC[C@@H](/N=C\c1ccc(O)c([O-])c1O)C(=O)OC ZINC000751891188 575300238 /nfs/dbraw/zinc/30/02/38/575300238.db2.gz VZUMKPLBTSRHGY-WIWNTQSISA-N -1 3 295.335 2.344 20 30 CEEDHM N#Cc1csc(C(=O)[N-]c2cccc3nonc32)c1 ZINC000752948408 575316942 /nfs/dbraw/zinc/31/69/42/575316942.db2.gz FUWKAIHFHYGQKD-UHFFFAOYSA-N -1 3 270.273 2.408 20 30 CEEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCCCC1 ZINC000823742707 607252737 /nfs/dbraw/zinc/25/27/37/607252737.db2.gz KULMPHMFKYHNMO-UHFFFAOYSA-N -1 3 270.340 2.276 20 30 CEEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCCCC1 ZINC000823742707 607252738 /nfs/dbraw/zinc/25/27/38/607252738.db2.gz KULMPHMFKYHNMO-UHFFFAOYSA-N -1 3 270.340 2.276 20 30 CEEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C)C#N ZINC000125546177 649938909 /nfs/dbraw/zinc/93/89/09/649938909.db2.gz KULKMRWJFBEKOJ-VIFPVBQESA-N -1 3 268.263 2.205 20 30 CEEDHM C=CCN(Cc1c(C)nn(CCC(=O)[O-])c1C)C(C)C ZINC000833374192 604551767 /nfs/dbraw/zinc/55/17/67/604551767.db2.gz CCAJQBGDDGQTPY-UHFFFAOYSA-N -1 3 279.384 2.371 20 30 CEEDHM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)c1ccccn1 ZINC000833960675 605487437 /nfs/dbraw/zinc/48/74/37/605487437.db2.gz KIUYCJMFETXSRA-NWDGAFQWSA-N -1 3 287.319 2.038 20 30 CEEDHM N#CC(C(=O)CC[C@H]1CCN(C(=O)[O-])C1)c1ccccn1 ZINC000833960676 605487609 /nfs/dbraw/zinc/48/76/09/605487609.db2.gz KIUYCJMFETXSRA-RYUDHWBXSA-N -1 3 287.319 2.038 20 30 CEEDHM C=CCSCCN[C@@H](C(=O)[O-])c1ccccc1F ZINC000833378067 605780872 /nfs/dbraw/zinc/78/08/72/605780872.db2.gz IJUQEMZCCGMOSF-GFCCVEGCSA-N -1 3 269.341 2.460 20 30 CEEDHM C=CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000819734530 606236421 /nfs/dbraw/zinc/23/64/21/606236421.db2.gz PZJGAPBPUHNNGI-UHFFFAOYSA-N -1 3 272.308 2.266 20 30 CEEDHM C=CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000819734530 606236423 /nfs/dbraw/zinc/23/64/23/606236423.db2.gz PZJGAPBPUHNNGI-UHFFFAOYSA-N -1 3 272.308 2.266 20 30 CEEDHM N#C[C@@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC000822806323 606242639 /nfs/dbraw/zinc/24/26/39/606242639.db2.gz LUBFLBKZUXIZTG-WPRPVWTQSA-N -1 3 272.287 2.110 20 30 CEEDHM N#C[C@@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC000822806323 606242641 /nfs/dbraw/zinc/24/26/41/606242641.db2.gz LUBFLBKZUXIZTG-WPRPVWTQSA-N -1 3 272.287 2.110 20 30 CEEDHM C=CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000819733848 606337052 /nfs/dbraw/zinc/33/70/52/606337052.db2.gz CPFILEPGVRXWPH-UHFFFAOYSA-N -1 3 282.307 2.033 20 30 CEEDHM C=CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000819733848 606337054 /nfs/dbraw/zinc/33/70/54/606337054.db2.gz CPFILEPGVRXWPH-UHFFFAOYSA-N -1 3 282.307 2.033 20 30 CEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819729116 606831851 /nfs/dbraw/zinc/83/18/51/606831851.db2.gz COINRXPPOFTIFE-SSDOTTSWSA-N -1 3 292.730 2.216 20 30 CEEDHM C=C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819729116 606831852 /nfs/dbraw/zinc/83/18/52/606831852.db2.gz COINRXPPOFTIFE-SSDOTTSWSA-N -1 3 292.730 2.216 20 30 CEEDHM C#CCCNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823845547 608018577 /nfs/dbraw/zinc/01/85/77/608018577.db2.gz VWUCYJYMNIYAEJ-UHFFFAOYSA-N -1 3 271.324 2.089 20 30 CEEDHM C#CCCNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000823845547 608018578 /nfs/dbraw/zinc/01/85/78/608018578.db2.gz VWUCYJYMNIYAEJ-UHFFFAOYSA-N -1 3 271.324 2.089 20 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CEEDHM CCC(COC)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825119234 609473041 /nfs/dbraw/zinc/47/30/41/609473041.db2.gz BHEGWGJROXLIMR-UHFFFAOYSA-N -1 3 294.746 2.344 20 30 CEEDHM CCC(COC)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825119234 609473043 /nfs/dbraw/zinc/47/30/43/609473043.db2.gz BHEGWGJROXLIMR-UHFFFAOYSA-N -1 3 294.746 2.344 20 30 CEEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000823958123 609516326 /nfs/dbraw/zinc/51/63/26/609516326.db2.gz CZQIYNYVDRCQPO-GFCCVEGCSA-N -1 3 286.339 2.081 20 30 CEEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000823958123 609516328 /nfs/dbraw/zinc/51/63/28/609516328.db2.gz CZQIYNYVDRCQPO-GFCCVEGCSA-N -1 3 286.339 2.081 20 30 CEEDHM Cc1cccc([O-])c1C(=O)NCC#C[C@H]1CCCCO1 ZINC000891105520 623178826 /nfs/dbraw/zinc/17/88/26/623178826.db2.gz BSMIUUNXJBXMPF-CYBMUJFWSA-N -1 3 273.332 2.003 20 30 CEEDHM N#Cc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000003508047 624133486 /nfs/dbraw/zinc/13/34/86/624133486.db2.gz LOPQCQIEYMAWDH-UHFFFAOYSA-N -1 3 296.282 2.059 20 30 CEEDHM C#C[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC000934517889 624556581 /nfs/dbraw/zinc/55/65/81/624556581.db2.gz BXHIPPYBFZASSW-GFCCVEGCSA-N -1 3 283.331 2.430 20 30 CEEDHM [O-]c1c(O)ccc(C=Nn2cnc3ccccc32)c1O ZINC000725849541 625926172 /nfs/dbraw/zinc/92/61/72/625926172.db2.gz LUCVTGUJELLNDR-UHFFFAOYSA-N -1 3 269.260 2.035 20 30 CEEDHM C=C(C)C(C)(C)C(=O)N1CCCc2c1nc[n-]c2=O ZINC000893206032 628129928 /nfs/dbraw/zinc/12/99/28/628129928.db2.gz URIMMJXJVHOSPG-UHFFFAOYSA-N -1 3 261.325 2.064 20 30 CEEDHM C=C[C@@H](CC)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000776102609 628360842 /nfs/dbraw/zinc/36/08/42/628360842.db2.gz ZGFXRLXAHPDSJO-LBPRGKRZSA-N -1 3 283.349 2.180 20 30 CEEDHM Cc1ccoc1C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000312787917 628529405 /nfs/dbraw/zinc/52/94/05/628529405.db2.gz IOLGEQFJPZHDSY-UHFFFAOYSA-N -1 3 294.307 2.077 20 30 CEEDHM CO[C@H](COC(=O)c1cc([O-])cc(C#N)c1)CC(C)C ZINC000842091304 629211986 /nfs/dbraw/zinc/21/19/86/629211986.db2.gz BYGWFEUPPWBWBJ-AWEZNQCLSA-N -1 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CEEDHM Cc1occc1C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000751029315 575282204 /nfs/dbraw/zinc/28/22/04/575282204.db2.gz WAIKDTFCPMANMV-UHFFFAOYSA-N -1 3 294.307 2.077 20 30 CEEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccccc1[O-] ZINC000751530530 575291327 /nfs/dbraw/zinc/29/13/27/575291327.db2.gz YPAPJFJTDSUNPV-VIFPVBQESA-N -1 3 277.393 2.379 20 30 CEEDHM N#Cc1ccc(C(=O)OCc2cc(C#N)ccc2F)[n-]1 ZINC000752515299 575311187 /nfs/dbraw/zinc/31/11/87/575311187.db2.gz ITZKJAPTAIUKFJ-UHFFFAOYSA-N -1 3 269.235 2.254 20 30 CEEDHM N#Cc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)c(F)c1 ZINC000054299716 597079479 /nfs/dbraw/zinc/07/94/79/597079479.db2.gz RZJZUHTYJKQJAT-LBPRGKRZSA-N -1 3 276.311 2.384 20 30 CEEDHM C#CC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)C1CC1 ZINC000823837863 607402158 /nfs/dbraw/zinc/40/21/58/607402158.db2.gz HVZWYIHTNWDSDD-AWEZNQCLSA-N -1 3 296.330 2.134 20 30 CEEDHM C#CC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)C1CC1 ZINC000823837863 607402160 /nfs/dbraw/zinc/40/21/60/607402160.db2.gz HVZWYIHTNWDSDD-AWEZNQCLSA-N -1 3 296.330 2.134 20 30 CEEDHM C/C(=C/CN1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC000825742349 601053944 /nfs/dbraw/zinc/05/39/44/601053944.db2.gz YPWMQAHVLVZUID-AUWJEWJLSA-N -1 3 299.374 2.101 20 30 CEEDHM COCc1nsc([N-]C(=O)c2sccc2CC#N)n1 ZINC000875546548 649919449 /nfs/dbraw/zinc/91/94/49/649919449.db2.gz CIXGJKDIASWQRY-UHFFFAOYSA-N -1 3 294.361 2.064 20 30 CEEDHM C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1CNC(=O)[O-] ZINC000825924119 603717424 /nfs/dbraw/zinc/71/74/24/603717424.db2.gz DECPPEDWACLYTE-IUODEOHRSA-N -1 3 287.363 2.426 20 30 CEEDHM C[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000833627074 604916637 /nfs/dbraw/zinc/91/66/37/604916637.db2.gz QIUIXWNUFHZIFN-SMDDNHRTSA-N -1 3 277.751 2.344 20 30 CEEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccnc1)c1cccc(C#N)c1 ZINC000827716897 605005655 /nfs/dbraw/zinc/00/56/55/605005655.db2.gz BUJVZFJDGGBJLF-XHDPSFHLSA-N -1 3 281.315 2.430 20 30 CEEDHM N#Cc1ccc(CNC[C@@H]2CCCCN2C(=O)[O-])c(F)c1 ZINC000831126340 605516164 /nfs/dbraw/zinc/51/61/64/605516164.db2.gz AWLNSOKLBULUFO-ZDUSSCGKSA-N -1 3 291.326 2.319 20 30 CEEDHM N#Cc1cccc(CN(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000833978338 605777385 /nfs/dbraw/zinc/77/73/85/605777385.db2.gz JEHXZORBHOGVEW-HNNXBMFYSA-N -1 3 285.347 2.275 20 30 CEEDHM C[C@H](Nc1ccc(C#N)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455504 606096155 /nfs/dbraw/zinc/09/61/55/606096155.db2.gz JBLOUACBDKBNAP-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C[C@H](Nc1ccc(C#N)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455504 606096158 /nfs/dbraw/zinc/09/61/58/606096158.db2.gz JBLOUACBDKBNAP-JTQLQIEISA-N -1 3 291.318 2.306 20 30 CEEDHM C=CCCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000819740041 606236532 /nfs/dbraw/zinc/23/65/32/606236532.db2.gz MMEWMVSIDMPUNT-UHFFFAOYSA-N -1 3 290.298 2.405 20 30 CEEDHM C=CCCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000819740041 606236533 /nfs/dbraw/zinc/23/65/33/606236533.db2.gz MMEWMVSIDMPUNT-UHFFFAOYSA-N -1 3 290.298 2.405 20 30 CEEDHM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822833717 606371007 /nfs/dbraw/zinc/37/10/07/606371007.db2.gz VHHXKBKVUISGDK-UHFFFAOYSA-N -1 3 295.331 2.246 20 30 CEEDHM N#Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000822822664 606489975 /nfs/dbraw/zinc/48/99/75/606489975.db2.gz AMEKIDAEWQERNN-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000822822664 606489977 /nfs/dbraw/zinc/48/99/77/606489977.db2.gz AMEKIDAEWQERNN-UHFFFAOYSA-N -1 3 296.315 2.052 20 30 CEEDHM N#Cc1ccccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000218306892 606659555 /nfs/dbraw/zinc/65/95/55/606659555.db2.gz LTDWIBQNWGVVLF-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM N#Cc1ccccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000218306892 606659556 /nfs/dbraw/zinc/65/95/56/606659556.db2.gz LTDWIBQNWGVVLF-UHFFFAOYSA-N -1 3 276.303 2.350 20 30 CEEDHM C=C[C@@H](C)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000819729484 606802338 /nfs/dbraw/zinc/80/23/38/606802338.db2.gz HDCMISWKESSEDZ-SECBINFHSA-N -1 3 266.308 2.401 20 30 CEEDHM C=C[C@@H](C)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000819729484 606802340 /nfs/dbraw/zinc/80/23/40/606802340.db2.gz HDCMISWKESSEDZ-SECBINFHSA-N -1 3 266.308 2.401 20 30 CEEDHM C=CCSCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823936972 607880251 /nfs/dbraw/zinc/88/02/51/607880251.db2.gz BVTRALDIBUJTLA-UHFFFAOYSA-N -1 3 290.348 2.073 20 30 CEEDHM C=CCSCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823936972 607880252 /nfs/dbraw/zinc/88/02/52/607880252.db2.gz BVTRALDIBUJTLA-UHFFFAOYSA-N -1 3 290.348 2.073 20 30 CEEDHM C=C(CC)COC(=O)c1sccc1-c1nnn[n-]1 ZINC000823878265 608318325 /nfs/dbraw/zinc/31/83/25/608318325.db2.gz UJXVOQNSJSLSOD-UHFFFAOYSA-N -1 3 264.310 2.051 20 30 CEEDHM C#CCCCOc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000823841635 608324706 /nfs/dbraw/zinc/32/47/06/608324706.db2.gz RCUZWHYQBLVWHX-UHFFFAOYSA-N -1 3 256.309 2.276 20 30 CEEDHM N#Cc1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386516 608670387 /nfs/dbraw/zinc/67/03/87/608670387.db2.gz IDNOKZLKVZXIFV-UHFFFAOYSA-N -1 3 295.277 2.456 20 30 CEEDHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825051405 609584644 /nfs/dbraw/zinc/58/46/44/609584644.db2.gz OSZWNSNWTGELAW-NXEZZACHSA-N -1 3 298.350 2.359 20 30 CEEDHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825051405 609584645 /nfs/dbraw/zinc/58/46/45/609584645.db2.gz OSZWNSNWTGELAW-NXEZZACHSA-N -1 3 298.350 2.359 20 30 CEEDHM N#Cc1ccccc1/C=C\C(=O)[N-]O[C@H]1CCCCO1 ZINC000255755153 625448039 /nfs/dbraw/zinc/44/80/39/625448039.db2.gz MEWPQFSVNAMGDK-CDNLZTBQSA-N -1 3 272.304 2.146 20 30 CEEDHM C=CC[C@@H]1CCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000890555136 622595607 /nfs/dbraw/zinc/59/56/07/622595607.db2.gz DGTDTXXQVHCCOT-LLVKDONJSA-N -1 3 277.320 2.200 20 30 CEEDHM C=CC[C@@H]1CCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000890566594 622612650 /nfs/dbraw/zinc/61/26/50/622612650.db2.gz XLLIWSLKHHAHOB-CYBMUJFWSA-N -1 3 299.374 2.385 20 30 CEEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@@H]1CC1(F)F ZINC000841620527 624132020 /nfs/dbraw/zinc/13/20/20/624132020.db2.gz IACSXDJFFBQKAS-NSHDSACASA-N -1 3 288.319 2.137 20 30 CEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCC(C)C ZINC000054144946 624688004 /nfs/dbraw/zinc/68/80/04/624688004.db2.gz LIARTFUOCCNNKX-UHFFFAOYSA-N -1 3 290.363 2.385 20 30 CEEDHM O=C(C#Cc1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000156243398 624920211 /nfs/dbraw/zinc/92/02/11/624920211.db2.gz DMWJEYIBGHYUBW-UHFFFAOYSA-N -1 3 269.275 2.199 20 30 CEEDHM C=C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000893113755 628013645 /nfs/dbraw/zinc/01/36/45/628013645.db2.gz NYOGREOJSWYAQK-UHFFFAOYSA-N -1 3 264.300 2.393 20 30 CEEDHM CC[C@H](NCc1ccn(C)n1)c1cccc(C#N)c1[O-] ZINC000925661041 628373770 /nfs/dbraw/zinc/37/37/70/628373770.db2.gz RRUBPCLRANSFIL-AWEZNQCLSA-N -1 3 270.336 2.238 20 30 CEEDHM N#Cc1cc([O-])cc(C(=O)OCCOCC2CCC2)c1 ZINC000842093259 629214577 /nfs/dbraw/zinc/21/45/77/629214577.db2.gz MQCVWJZNLMCWOB-UHFFFAOYSA-N -1 3 275.304 2.237 20 30 CEEDHM CC[C@@H](C)CO[N-]C(=O)Cc1ccccc1CC#N ZINC000794854323 629336899 /nfs/dbraw/zinc/33/68/99/629336899.db2.gz QYEQVSKCMDGEEL-GFCCVEGCSA-N -1 3 260.337 2.389 20 30 CEEDHM CC(C)c1c(Cl)ncnc1[N-]N=C1C(=O)OC[C@H]1C ZINC000794936545 629364091 /nfs/dbraw/zinc/36/40/91/629364091.db2.gz AHXBEPUEOAGQMF-SSDOTTSWSA-N -1 3 282.731 2.214 20 30 CEEDHM N#Cc1c(F)cccc1N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000894378408 629410423 /nfs/dbraw/zinc/41/04/23/629410423.db2.gz XUCBDIIQSOHAHL-SECBINFHSA-N -1 3 272.283 2.120 20 30 CEEDHM C=CCC(C)(C)C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000796462556 629910462 /nfs/dbraw/zinc/91/04/62/629910462.db2.gz JNRUAKACOXQFFR-UHFFFAOYSA-N -1 3 281.274 2.201 20 30 CEEDHM CC(C)COc1ccccc1CN[C@H]1CCCN([O-])C1=O ZINC000895157981 629974221 /nfs/dbraw/zinc/97/42/21/629974221.db2.gz GPTGXKNQTFQFKU-AWEZNQCLSA-N -1 3 292.379 2.191 20 30 CEEDHM C#CCC1(NC(=O)c2ccc(C)cc2[O-])CCOCC1 ZINC000895257238 630065940 /nfs/dbraw/zinc/06/59/40/630065940.db2.gz UYLCYYGHKOLILP-UHFFFAOYSA-N -1 3 273.332 2.003 20 30 CEEDHM C#C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797456181 630241684 /nfs/dbraw/zinc/24/16/84/630241684.db2.gz KUCRZSYMQLWHTM-ZETCQYMHSA-N -1 3 278.160 2.293 20 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3 280.755 2.469 20 30 CEEDHM [O-]c1ccc(C=NNC[C@@H]2CCSC2)cc1F ZINC000811661701 632419860 /nfs/dbraw/zinc/41/98/60/632419860.db2.gz QXXVDNUBUDVMKU-JTQLQIEISA-N -1 3 254.330 2.208 20 30 CEEDHM COC(=O)c1cc(C(=O)OCc2ccc(C#N)c(C)c2)c[n-]1 ZINC000814531511 632855190 /nfs/dbraw/zinc/85/51/90/632855190.db2.gz FPWDKVRXAJEAPK-UHFFFAOYSA-N -1 3 298.298 2.338 20 30 CEEDHM N#C[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000814816282 632902995 /nfs/dbraw/zinc/90/29/95/632902995.db2.gz MRVBIFBXDROFJM-ZDUSSCGKSA-N -1 3 291.376 2.176 20 30 CEEDHM CCc1ocnc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900093898 633410697 /nfs/dbraw/zinc/41/06/97/633410697.db2.gz AZDYGIZLHUULHE-UHFFFAOYSA-N -1 3 264.256 2.408 20 30 CEEDHM CCCCCCCC[C@@H](N)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000900462800 633732498 /nfs/dbraw/zinc/73/24/98/633732498.db2.gz NIXYKOBCMOIOOL-BFHYXJOUSA-N -1 3 298.427 2.434 20 30 CEEDHM CCCCCCCC[C@@H](N)C(=O)NC(C)(C)C(=O)[O-] ZINC000900466394 633733479 /nfs/dbraw/zinc/73/34/79/633733479.db2.gz TZEOAJOBLDGWRN-LLVKDONJSA-N -1 3 272.389 2.044 20 30 CEEDHM CCCCCCCC[C@H](N)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000900469931 633734027 /nfs/dbraw/zinc/73/40/27/633734027.db2.gz PDFMZEAGYFHEPP-AVGNSLFASA-N -1 3 284.400 2.044 20 30 CEEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(N)cc1[O-] ZINC000817924400 633780315 /nfs/dbraw/zinc/78/03/15/633780315.db2.gz WTWHBDQQQDKABT-UHFFFAOYSA-N -1 3 274.242 2.165 20 30 CEEDHM CCc1cc(CC(=O)N([O-])Cc2ccc(F)cc2)n(C)n1 ZINC000900679713 633805752 /nfs/dbraw/zinc/80/57/52/633805752.db2.gz VBXPXFXYRDFOFB-UHFFFAOYSA-N -1 3 291.326 2.082 20 30 CEEDHM O=C1Nc2cc([O-])ccc2C1=NNC1CCC(F)(F)CC1 ZINC000901345385 634076161 /nfs/dbraw/zinc/07/61/61/634076161.db2.gz SHPYFEMJQYMYOW-UHFFFAOYSA-N -1 3 295.289 2.216 20 30 CEEDHM O=C(c1cn(C2CCC2)nn1)N([O-])Cc1ccc(F)cc1 ZINC000901373380 634077508 /nfs/dbraw/zinc/07/75/08/634077508.db2.gz XZYDYVCTWWEWBZ-UHFFFAOYSA-N -1 3 290.298 2.174 20 30 CEEDHM COCC1(CC(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901372852 634077688 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287.356 2.325 20 30 CEEDHM C=C(CC)C[N-]S(=O)(=O)c1sccc1OC ZINC000452040187 331051495 /nfs/dbraw/zinc/05/14/95/331051495.db2.gz JCXVJJTVNPQXOC-UHFFFAOYSA-N -1 3 261.368 2.001 20 30 CEEDHM C=CCC[C@@H](NC(=O)c1cccc([O-])c1)C(=O)OCC ZINC000456630673 331197649 /nfs/dbraw/zinc/19/76/49/331197649.db2.gz QYLMWCBFAFJEJG-CYBMUJFWSA-N -1 3 277.320 2.020 20 30 CEEDHM C[C@@H](C#N)CN(Cc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC000459379489 331279291 /nfs/dbraw/zinc/27/92/91/331279291.db2.gz SEKRELRXXDCCNI-JTQLQIEISA-N -1 3 272.352 2.184 20 30 CEEDHM C#CCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000491770665 332337538 /nfs/dbraw/zinc/33/75/38/332337538.db2.gz PEQVBSZZLDSDTQ-UHFFFAOYSA-N -1 3 267.288 2.147 20 30 CEEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000496601822 332554340 /nfs/dbraw/zinc/55/43/40/332554340.db2.gz ZDLHHAFHJXGIRZ-GHMZBOCLSA-N -1 3 286.372 2.302 20 30 CEEDHM CCc1ccc([O-])c(C(=O)N2CCC(C#N)CC2)c1 ZINC000195453002 333253582 /nfs/dbraw/zinc/25/35/82/333253582.db2.gz 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527271127 /nfs/dbraw/zinc/27/11/27/527271127.db2.gz BBGFVNIJOUPOGJ-SNVBAGLBSA-N -1 3 267.398 2.471 20 30 CEEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000336456932 528349452 /nfs/dbraw/zinc/34/94/52/528349452.db2.gz XGLKELZATUWVMJ-SNVBAGLBSA-N -1 3 290.747 2.306 20 30 CEEDHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ccc(C)nn1 ZINC000729935548 574496586 /nfs/dbraw/zinc/49/65/86/574496586.db2.gz DJBFNHPAAKBOPZ-UHFFFAOYSA-N -1 3 281.319 2.170 20 30 CEEDHM [O-]c1ccc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753935262 574520160 /nfs/dbraw/zinc/52/01/60/574520160.db2.gz MUDUTRMGIDCCCW-VXGBXAGGSA-N -1 3 292.770 2.240 20 30 CEEDHM C=CCOC(=O)c1cccc(Br)c1[O-] ZINC000730365798 574517617 /nfs/dbraw/zinc/51/76/17/574517617.db2.gz RWCRCQLWDKSCAF-UHFFFAOYSA-N -1 3 257.083 2.498 20 30 CEEDHM CC(=N[N-]S(C)(=O)=O)[C@@H](C)c1nc2ccccc2s1 ZINC000764701546 574601744 /nfs/dbraw/zinc/60/17/44/574601744.db2.gz ZLUWUGHLYDABNR-MRVPVSSYSA-N -1 3 297.405 2.325 20 30 CEEDHM C=CCCCN(C)C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735412793 574755748 /nfs/dbraw/zinc/75/57/48/574755748.db2.gz KYLLMCAXAHASHA-UHFFFAOYSA-N -1 3 299.378 2.224 20 30 CEEDHM C=CCCCN(C)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735412793 574755750 /nfs/dbraw/zinc/75/57/50/574755750.db2.gz KYLLMCAXAHASHA-UHFFFAOYSA-N -1 3 299.378 2.224 20 30 CEEDHM C=C(Br)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735397637 574756632 /nfs/dbraw/zinc/75/66/32/574756632.db2.gz AUUJVEIRJSYDNY-UHFFFAOYSA-N -1 3 299.103 2.293 20 30 CEEDHM C=C(Br)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000735397637 574756633 /nfs/dbraw/zinc/75/66/33/574756633.db2.gz AUUJVEIRJSYDNY-UHFFFAOYSA-N -1 3 299.103 2.293 20 30 CEEDHM C=C1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000735403085 574757405 /nfs/dbraw/zinc/75/74/05/574757405.db2.gz OTDNTTWMIXVMKI-UHFFFAOYSA-N -1 3 273.315 2.158 20 30 CEEDHM C=C1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000735403085 574757406 /nfs/dbraw/zinc/75/74/06/574757406.db2.gz OTDNTTWMIXVMKI-UHFFFAOYSA-N -1 3 273.315 2.158 20 30 CEEDHM C=CCN(CC=C)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735418938 574757629 /nfs/dbraw/zinc/75/76/29/574757629.db2.gz LYFPRHIVEGXLHL-UHFFFAOYSA-N -1 3 273.315 2.180 20 30 CEEDHM C=CCSCCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000735436603 574757810 /nfs/dbraw/zinc/75/78/10/574757810.db2.gz OWDQSTJGLAMVEK-UHFFFAOYSA-N -1 3 297.334 2.476 20 30 CEEDHM C=CCSCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735436603 574757812 /nfs/dbraw/zinc/75/78/12/574757812.db2.gz OWDQSTJGLAMVEK-UHFFFAOYSA-N -1 3 297.334 2.476 20 30 CEEDHM CC(=NNC1CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451141 574758963 /nfs/dbraw/zinc/75/89/63/574758963.db2.gz PRZZFJPMBBGOJT-UHFFFAOYSA-N -1 3 270.340 2.123 20 30 CEEDHM CC(=NNC1CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451141 574758965 /nfs/dbraw/zinc/75/89/65/574758965.db2.gz PRZZFJPMBBGOJT-UHFFFAOYSA-N -1 3 270.340 2.123 20 30 CEEDHM CCCCCCCCC[N-]S(=O)(=O)c1c[nH]cn1 ZINC000736626020 574793763 /nfs/dbraw/zinc/79/37/63/574793763.db2.gz QVKBTMDVAYJQBH-UHFFFAOYSA-N -1 3 273.402 2.439 20 30 CEEDHM C=C(Cl)CN(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737524702 574838937 /nfs/dbraw/zinc/83/89/37/574838937.db2.gz MPEXIJIYBPQSII-LBPRGKRZSA-N -1 3 253.729 2.367 20 30 CEEDHM COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738104656 574852108 /nfs/dbraw/zinc/85/21/08/574852108.db2.gz MSMDBSQJYPYJDT-MRXNPFEDSA-N -1 3 296.326 2.482 20 30 CEEDHM CC(C)[C@](C)(CNC(=O)[O-])NCc1ccc(C#N)cc1F ZINC000738770695 574877536 /nfs/dbraw/zinc/87/75/36/574877536.db2.gz IXUPKUQWIQPOJI-HNNXBMFYSA-N -1 3 293.342 2.469 20 30 CEEDHM N#CC(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2ccccc2n1 ZINC000739072851 574892612 /nfs/dbraw/zinc/89/26/12/574892612.db2.gz AHYNNDWVNJWMID-WOPDTQHZSA-N -1 3 280.283 2.132 20 30 CEEDHM N#Cc1cccc(CNCc2cccc(OCC(=O)[O-])c2)c1 ZINC000739133159 574896711 /nfs/dbraw/zinc/89/67/11/574896711.db2.gz FEQHKKYIWXNSIJ-UHFFFAOYSA-N -1 3 296.326 2.311 20 30 CEEDHM CCN(CCNCc1ccc(O[C@H](C)C#N)cc1)C(=O)[O-] ZINC000739434454 574918382 /nfs/dbraw/zinc/91/83/82/574918382.db2.gz PXJTUTPWSUZBNR-GFCCVEGCSA-N -1 3 291.351 2.067 20 30 CEEDHM CCN(CCNCc1ccc(O[C@@H](C)C#N)cc1)C(=O)[O-] ZINC000739434456 574918539 /nfs/dbraw/zinc/91/85/39/574918539.db2.gz PXJTUTPWSUZBNR-LBPRGKRZSA-N -1 3 291.351 2.067 20 30 CEEDHM N#CCCCN1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740307390 574951605 /nfs/dbraw/zinc/95/16/05/574951605.db2.gz QZYIEMVXIBFWFI-OLZOCXBDSA-N -1 3 265.357 2.287 20 30 CEEDHM N#Cc1cccc(CN[C@H]2CCCCN(C(=O)[O-])C2)c1 ZINC000740320402 574952350 /nfs/dbraw/zinc/95/23/50/574952350.db2.gz OVHMNYBKZLRKFW-AWEZNQCLSA-N -1 3 273.336 2.180 20 30 CEEDHM COc1cc(C=NNCC(F)F)cc(Cl)c1[O-] ZINC000740618319 574960778 /nfs/dbraw/zinc/96/07/78/574960778.db2.gz OCQULDBKFPQUFJ-UHFFFAOYSA-N -1 3 264.659 2.243 20 30 CEEDHM O=C1NCc2ccc(N=Cc3ccccc3[O-])cc21 ZINC000746683730 575162753 /nfs/dbraw/zinc/16/27/53/575162753.db2.gz ONMJBUZHCYUMBK-UHFFFAOYSA-N -1 3 252.273 2.386 20 30 CEEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000747279651 575169224 /nfs/dbraw/zinc/16/92/24/575169224.db2.gz YZVCGIKPZRNMPU-UHFFFAOYSA-N -1 3 263.721 2.165 20 30 CEEDHM COc1cccc([O-])c1/C=N/C1CCC(NC(C)=O)CC1 ZINC000750950627 575280402 /nfs/dbraw/zinc/28/04/02/575280402.db2.gz YFCJOIMKVMNDST-LICLKQGHSA-N -1 3 290.363 2.267 20 30 CEEDHM N#CC1(NC(=O)c2cc3n[n-]nc3cc2F)CCCCC1 ZINC000753814116 575344247 /nfs/dbraw/zinc/34/42/47/575344247.db2.gz OTDAPFGXCKXFLI-UHFFFAOYSA-N -1 3 287.298 2.053 20 30 CEEDHM O=C([O-])C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000821517114 597352282 /nfs/dbraw/zinc/35/22/82/597352282.db2.gz XGCNLBHMBQPSJQ-AWEZNQCLSA-N -1 3 275.323 2.364 20 30 CEEDHM C[C@@H](NC(=O)[O-])C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000739016084 602444989 /nfs/dbraw/zinc/44/49/89/602444989.db2.gz REGKIWNGCQVLHW-GFCCVEGCSA-N -1 3 287.363 2.426 20 30 CEEDHM CC1=C(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCC1 ZINC000824852874 607587120 /nfs/dbraw/zinc/58/71/20/607587120.db2.gz SNAUYCQOMDWGSD-UHFFFAOYSA-N -1 3 294.318 2.177 20 30 CEEDHM CC1=C(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCC1 ZINC000824852874 607587121 /nfs/dbraw/zinc/58/71/21/607587121.db2.gz SNAUYCQOMDWGSD-UHFFFAOYSA-N -1 3 294.318 2.177 20 30 CEEDHM CC(C)(CC(=O)[O-])NCc1ccc(F)cc1C#N ZINC000826538093 604444253 /nfs/dbraw/zinc/44/42/53/604444253.db2.gz GRSQMTJZKGZCOK-UHFFFAOYSA-N -1 3 250.273 2.040 20 30 CEEDHM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1C ZINC000833615508 604613472 /nfs/dbraw/zinc/61/34/72/604613472.db2.gz FRDPMCTUDZEOEP-GHMZBOCLSA-N -1 3 258.321 2.487 20 30 CEEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC2(C#N)CC2)C1 ZINC000691548140 605076673 /nfs/dbraw/zinc/07/66/73/605076673.db2.gz SDJFHBFUWDGGRT-LLVKDONJSA-N -1 3 250.342 2.113 20 30 CEEDHM N#CCCCNCc1cccc2c1N(C(=O)[O-])CC2 ZINC000833965525 605515722 /nfs/dbraw/zinc/51/57/22/605515722.db2.gz NADFOHAYWZDZLU-UHFFFAOYSA-N -1 3 259.309 2.120 20 30 CEEDHM CCN(CCC1CCN(C(=O)[O-])CC1)C[C@@H](C)C#N ZINC000833857454 605531016 /nfs/dbraw/zinc/53/10/16/605531016.db2.gz LKRKDBBLSIAWHF-LBPRGKRZSA-N -1 3 267.373 2.248 20 30 CEEDHM C=CCN(CC=C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819742938 606238934 /nfs/dbraw/zinc/23/89/34/606238934.db2.gz CBQHYGOZKLTIGC-UHFFFAOYSA-N -1 3 276.731 2.094 20 30 CEEDHM C=CCN(CC=C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819742938 606238935 /nfs/dbraw/zinc/23/89/35/606238935.db2.gz CBQHYGOZKLTIGC-UHFFFAOYSA-N -1 3 276.731 2.094 20 30 CEEDHM N#Cc1ccc(C=Cc2cc(-c3nnn[n-]3)cs2)nc1 ZINC000822825481 606306439 /nfs/dbraw/zinc/30/64/39/606306439.db2.gz HIPCYVFIPDLSSN-ONEGZZNKSA-N -1 3 280.316 2.365 20 30 CEEDHM N#Cc1ccc(C=Cc2cc(-c3nn[n-]n3)cs2)nc1 ZINC000822825481 606306441 /nfs/dbraw/zinc/30/64/41/606306441.db2.gz HIPCYVFIPDLSSN-ONEGZZNKSA-N -1 3 280.316 2.365 20 30 CEEDHM N#Cc1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822837120 606369238 /nfs/dbraw/zinc/36/92/38/606369238.db2.gz FUPORPJYRRHKSL-UHFFFAOYSA-N -1 3 295.331 2.246 20 30 CEEDHM C=C(Cl)COc1cc(-c2nnn[n-]2)ccc1C ZINC000819729617 607040552 /nfs/dbraw/zinc/04/05/52/607040552.db2.gz JNKDNLHHZPUXIV-UHFFFAOYSA-N -1 3 250.689 2.306 20 30 CEEDHM C=C(Cl)COc1cc(-c2nn[n-]n2)ccc1C ZINC000819729617 607040553 /nfs/dbraw/zinc/04/05/53/607040553.db2.gz JNKDNLHHZPUXIV-UHFFFAOYSA-N -1 3 250.689 2.306 20 30 CEEDHM C=CCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819733750 607081281 /nfs/dbraw/zinc/08/12/81/607081281.db2.gz BBXAMNCNDTWAJM-UHFFFAOYSA-N -1 3 276.271 2.015 20 30 CEEDHM C=CCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819733750 607081282 /nfs/dbraw/zinc/08/12/82/607081282.db2.gz BBXAMNCNDTWAJM-UHFFFAOYSA-N -1 3 276.271 2.015 20 30 CEEDHM C=CCCC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000823888640 608096851 /nfs/dbraw/zinc/09/68/51/608096851.db2.gz SGKAAPZJYGUGBW-UHFFFAOYSA-N -1 3 274.349 2.494 20 30 CEEDHM C=CCCC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000823888640 608096852 /nfs/dbraw/zinc/09/68/52/608096852.db2.gz SGKAAPZJYGUGBW-UHFFFAOYSA-N -1 3 274.349 2.494 20 30 CEEDHM C=CCCC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823888527 608096683 /nfs/dbraw/zinc/09/66/83/608096683.db2.gz PKNVHLVVVMPOTP-UHFFFAOYSA-N -1 3 274.349 2.494 20 30 CEEDHM C=CCCC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823888527 608096684 /nfs/dbraw/zinc/09/66/84/608096684.db2.gz PKNVHLVVVMPOTP-UHFFFAOYSA-N -1 3 274.349 2.494 20 30 CEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1F)C1CC1 ZINC000823914756 608419922 /nfs/dbraw/zinc/41/99/22/608419922.db2.gz MWILTPMYACHQAN-UHFFFAOYSA-N -1 3 273.315 2.156 20 30 CEEDHM C=CCCNc1cc(-c2nn[n-]n2)ccc1NCC ZINC000823899083 609178196 /nfs/dbraw/zinc/17/81/96/609178196.db2.gz KRMFGFDOLRFJRR-UHFFFAOYSA-N -1 3 258.329 2.287 20 30 CEEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823874729 609380583 /nfs/dbraw/zinc/38/05/83/609380583.db2.gz YASCFWGAZBLUDV-UHFFFAOYSA-N -1 3 286.339 2.215 20 30 CEEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823874729 609380587 /nfs/dbraw/zinc/38/05/87/609380587.db2.gz YASCFWGAZBLUDV-UHFFFAOYSA-N -1 3 286.339 2.215 20 30 CEEDHM CC(C)(C#N)CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824059264 609389569 /nfs/dbraw/zinc/38/95/69/609389569.db2.gz REHNKRMITSCRCA-UHFFFAOYSA-N -1 3 278.266 2.107 20 30 CEEDHM CC(C)(C#N)CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824059264 609389567 /nfs/dbraw/zinc/38/95/67/609389567.db2.gz REHNKRMITSCRCA-UHFFFAOYSA-N -1 3 278.266 2.107 20 30 CEEDHM C=CCOCCNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823925431 609572583 /nfs/dbraw/zinc/57/25/83/609572583.db2.gz KKXZLDMJLFUMEK-UHFFFAOYSA-N -1 3 296.334 2.029 20 30 CEEDHM C=CCOCCNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823925431 609572585 /nfs/dbraw/zinc/57/25/85/609572585.db2.gz KKXZLDMJLFUMEK-UHFFFAOYSA-N -1 3 296.334 2.029 20 30 CEEDHM [O-]c1ccc(Cl)cc1C=NN[C@H]1CCSC1 ZINC000808000235 623300349 /nfs/dbraw/zinc/30/03/49/623300349.db2.gz HNSXFAVUTDIYNJ-JTQLQIEISA-N -1 3 256.758 2.475 20 30 CEEDHM N#Cc1csc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255191266 623304081 /nfs/dbraw/zinc/30/40/81/623304081.db2.gz KGMKIMCLUUPXSR-AWNIVKPZSA-N -1 3 280.308 2.430 20 30 CEEDHM C#C[C@H](C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000820796484 634531602 /nfs/dbraw/zinc/53/16/02/634531602.db2.gz KTIIHMFJVANUKN-JTQLQIEISA-N -1 3 292.385 2.110 20 30 CEEDHM COCCCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184026 627282487 /nfs/dbraw/zinc/28/24/87/627282487.db2.gz FSGNOLGMYJNNTG-UHFFFAOYSA-N -1 3 263.293 2.237 20 30 CEEDHM C[C@H](CC#N)NN=Cc1ccc(Br)cc1[O-] ZINC000853324091 627955708 /nfs/dbraw/zinc/95/57/08/627955708.db2.gz UPJQXVUBFNJMCE-MRVPVSSYSA-N -1 3 282.141 2.380 20 30 CEEDHM C#C[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000893114284 628013852 /nfs/dbraw/zinc/01/38/52/628013852.db2.gz UPXHROUIYQLEDP-GFCCVEGCSA-N -1 3 276.311 2.229 20 30 CEEDHM O=C1[C@@H](NCc2cc(Cl)cc(Cl)c2)CCCN1[O-] ZINC000895165202 629988721 /nfs/dbraw/zinc/98/87/21/629988721.db2.gz KPCBOJAMEFRLMK-NSHDSACASA-N -1 3 289.162 2.463 20 30 CEEDHM Cc1ncc(CO)c(/C=N\CCOCC2CCCC2)c1[O-] ZINC000840710225 630839636 /nfs/dbraw/zinc/83/96/36/630839636.db2.gz PGGLECVAYNBUCO-MFOYZWKCSA-N -1 3 292.379 2.214 20 30 CEEDHM COc1cc(C(=O)/C=C\c2cn(C)cn2)ccc1[O-] ZINC000798230649 630841915 /nfs/dbraw/zinc/84/19/15/630841915.db2.gz AEYMLXNQDPRGOU-XQRVVYSFSA-N -1 3 258.277 2.030 20 30 CEEDHM CCCCN([O-])C(=O)Cc1ccc(OCC#N)cc1 ZINC000904210371 635502111 /nfs/dbraw/zinc/50/21/11/635502111.db2.gz NCDVGJUSNSNIEM-UHFFFAOYSA-N -1 3 262.309 2.149 20 30 CEEDHM C#C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(C)C ZINC000799043546 630964387 /nfs/dbraw/zinc/96/43/87/630964387.db2.gz PJTMHCPDMAMYLS-CYBMUJFWSA-N -1 3 295.285 2.245 20 30 CEEDHM CCCCN([O-])C(=O)Cc1cccc(OCC)n1 ZINC000904212249 635520967 /nfs/dbraw/zinc/52/09/67/635520967.db2.gz CAHATJHMIZUUDL-UHFFFAOYSA-N -1 3 252.314 2.041 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H](OC)c1ccc(O)cc1 ZINC000904211708 635521331 /nfs/dbraw/zinc/52/13/31/635521331.db2.gz BFYDIMYMZONIDX-LBPRGKRZSA-N -1 3 253.298 2.098 20 30 CEEDHM C#CCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000173787291 631250802 /nfs/dbraw/zinc/25/08/02/631250802.db2.gz CJZPGMWTOHPITI-UHFFFAOYSA-N -1 3 275.732 2.171 20 30 CEEDHM C[C@@H](C#N)OCCOC(=O)c1cccc(Cl)c1[O-] ZINC000801853567 631337778 /nfs/dbraw/zinc/33/77/78/631337778.db2.gz PNHBAFYFPFQUMX-QMMMGPOBSA-N -1 3 269.684 2.131 20 30 CEEDHM Cc1ncc(CO)c(/C=N\[C@H](C2CC2)C(F)(F)F)c1[O-] ZINC000806550814 631751545 /nfs/dbraw/zinc/75/15/45/631751545.db2.gz GJYUOEDHKOCXPP-HQXNLNEJSA-N -1 3 288.269 2.348 20 30 CEEDHM COCC[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)OC ZINC000811625537 632410054 /nfs/dbraw/zinc/41/00/54/632410054.db2.gz OYQIJFGKMFHVIL-UXYFDLPDSA-N -1 3 285.727 2.043 20 30 CEEDHM C#CC1(O)CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000899120186 632709374 /nfs/dbraw/zinc/70/93/74/632709374.db2.gz YPTUVXDXPFVABM-UHFFFAOYSA-N -1 3 295.338 2.146 20 30 CEEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000899226300 632742559 /nfs/dbraw/zinc/74/25/59/632742559.db2.gz PLABYTJNRQZGQE-XQNPFNQCSA-N -1 3 281.739 2.268 20 30 CEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000816756724 633473052 /nfs/dbraw/zinc/47/30/52/633473052.db2.gz CZFMKOJPTVYSNM-IGQOVBAYSA-N -1 3 294.395 2.089 20 30 CEEDHM Cc1cc(=O)[n-]c(N=NC2CCc3cccnc3CC2)n1 ZINC000817321772 633626729 /nfs/dbraw/zinc/62/67/29/633626729.db2.gz SEAFJLYOYMYWBN-UHFFFAOYSA-N -1 3 283.335 2.233 20 30 CEEDHM C=CCCC[C@@H](N)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000900456346 633730606 /nfs/dbraw/zinc/73/06/06/633730606.db2.gz BCDTWUXLPOBQQQ-NEPJUHHUSA-N -1 3 284.400 2.066 20 30 CEEDHM C=CCCC[C@@H](N)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC000900456355 633730674 /nfs/dbraw/zinc/73/06/74/633730674.db2.gz BCDTWUXLPOBQQQ-VXGBXAGGSA-N -1 3 284.400 2.066 20 30 CEEDHM CCNN=C(C)c1cc(Br)ccc1[O-] ZINC000901277752 634019420 /nfs/dbraw/zinc/01/94/20/634019420.db2.gz HEJKUKJSPJVBPE-UHFFFAOYSA-N -1 3 257.131 2.488 20 30 CEEDHM O=C(CC[C@@H]1CCOC1)N([O-])Cc1ccc(F)cc1 ZINC000901372100 634074897 /nfs/dbraw/zinc/07/48/97/634074897.db2.gz QLPCUTODEHEVAQ-GFCCVEGCSA-N -1 3 267.300 2.360 20 30 CEEDHM Cc1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1 ZINC000901371522 634075520 /nfs/dbraw/zinc/07/55/20/634075520.db2.gz DABPSUXAMJHKNI-UHFFFAOYSA-N -1 3 275.283 2.264 20 30 CEEDHM COc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901371933 634075796 /nfs/dbraw/zinc/07/57/96/634075796.db2.gz KZUNLTXKUFSHNJ-UHFFFAOYSA-N -1 3 276.267 2.261 20 30 CEEDHM CC(C)CCC(=O)NCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373977 634078401 /nfs/dbraw/zinc/07/84/01/634078401.db2.gz BNRXMSPYCUBIOH-UHFFFAOYSA-N -1 3 296.342 2.096 20 30 CEEDHM C[C@H]1CN=C([N-]C(=O)c2c(F)cc(C#N)cc2F)S1 ZINC000819772160 634255421 /nfs/dbraw/zinc/25/54/21/634255421.db2.gz OIFVPRWOVDJNTQ-LURJTMIESA-N -1 3 281.287 2.058 20 30 CEEDHM CCCCC1CCC(C(=O)N[C@@H]2CCN([O-])C2=O)CC1 ZINC000820184758 634348393 /nfs/dbraw/zinc/34/83/93/634348393.db2.gz DJEYCBCWPYCYAI-WXRRBKDZSA-N -1 3 282.384 2.089 20 30 CEEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822767081 634991842 /nfs/dbraw/zinc/99/18/42/634991842.db2.gz WEFQHOZPLLQYRC-UHFFFAOYSA-N -1 3 296.309 2.130 20 30 CEEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822767081 634991844 /nfs/dbraw/zinc/99/18/44/634991844.db2.gz WEFQHOZPLLQYRC-UHFFFAOYSA-N -1 3 296.309 2.130 20 30 CEEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC000824033271 635328334 /nfs/dbraw/zinc/32/83/34/635328334.db2.gz HKWZMBVYIOFQLN-QWRGUYRKSA-N -1 3 274.320 2.125 20 30 CEEDHM O=C(CN1CCCCC1=O)N([O-])Cc1ccccc1Cl ZINC000904187544 635486223 /nfs/dbraw/zinc/48/62/23/635486223.db2.gz OCCCCJOSFPMERB-UHFFFAOYSA-N -1 3 296.754 2.070 20 30 CEEDHM CC1(C)OCC(C)(C(=O)N([O-])Cc2ccc(F)cc2)CO1 ZINC000904172970 635491507 /nfs/dbraw/zinc/49/15/07/635491507.db2.gz FNQAUJMLHYEACZ-UHFFFAOYSA-N -1 3 297.326 2.333 20 30 CEEDHM CCCCCCN([O-])C(=O)C[C@H]1CCOC[C@H]1OC ZINC000904206534 635496241 /nfs/dbraw/zinc/49/62/41/635496241.db2.gz AWFZRBYZMBLMLY-CHWSQXEVSA-N -1 3 273.373 2.226 20 30 CEEDHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N([O-])Cc1ccc(F)cc1 ZINC000904178283 635496306 /nfs/dbraw/zinc/49/63/06/635496306.db2.gz DLSPJVXDEUXLCP-VXGBXAGGSA-N -1 3 275.283 2.070 20 30 CEEDHM COC[C@H](C)[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178034 635496733 /nfs/dbraw/zinc/49/67/33/635496733.db2.gz WUYWTWYTXKTXTN-WDEREUQCSA-N -1 3 269.316 2.462 20 30 CEEDHM CCCCCCN([O-])C(=O)c1cc2n(n1)CCCC2=O ZINC000904207111 635497655 /nfs/dbraw/zinc/49/76/55/635497655.db2.gz QRRPMGFQGZGOSE-UHFFFAOYSA-N -1 3 279.340 2.271 20 30 CEEDHM CCCCN([O-])C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000904208559 635499796 /nfs/dbraw/zinc/49/97/96/635499796.db2.gz AEKDWFKFEOEWTG-UHFFFAOYSA-N -1 3 287.319 2.481 20 30 CEEDHM CCCCN([O-])C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC000904209954 635500438 /nfs/dbraw/zinc/50/04/38/635500438.db2.gz BLPNMEYXUYQJLL-LBPRGKRZSA-N -1 3 279.336 2.264 20 30 CEEDHM CCN(CC)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904188935 635502791 /nfs/dbraw/zinc/50/27/91/635502791.db2.gz SWDXHTWMMLEWNQ-UHFFFAOYSA-N -1 3 270.760 2.400 20 30 CEEDHM CC[C@@H](C(=O)N([O-])Cc1ccccc1Cl)N(C)C ZINC000904189806 635503155 /nfs/dbraw/zinc/50/31/55/635503155.db2.gz AJYWIKGWUIZCLF-LBPRGKRZSA-N -1 3 270.760 2.398 20 30 CEEDHM CCCCCCN([O-])C(=O)COc1c(C)nn(C)c1C ZINC000904204695 635512256 /nfs/dbraw/zinc/51/22/56/635512256.db2.gz QMYOMZQVUAPRJI-UHFFFAOYSA-N -1 3 283.372 2.214 20 30 CEEDHM CCCCCCN([O-])C(=O)C[C@@H](C)CC(=O)OC ZINC000904204710 635512741 /nfs/dbraw/zinc/51/27/41/635512741.db2.gz RDWCPXRDSOQNCP-LLVKDONJSA-N -1 3 259.346 2.374 20 30 CEEDHM 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