smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000006959004 453011978 /nfs/dbraw/zinc/01/19/78/453011978.db2.gz GQELEAPIEBTLOK-CXUHLZMHSA-N -1 0 331.284 3.358 40 30 EGEBRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000007056113 453026833 /nfs/dbraw/zinc/02/68/33/453026833.db2.gz SMJLAYADUKJUFM-UHFFFAOYSA-N -1 0 337.198 3.122 40 30 EGEBRM CN(C)c1ccc(/C=N\c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000016791115 453622107 /nfs/dbraw/zinc/62/21/07/453622107.db2.gz URCSJCNMZIKBIG-MOSHPQCFSA-N -1 0 339.395 3.307 40 30 EGEBRM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000078411122 454249915 /nfs/dbraw/zinc/24/99/15/454249915.db2.gz HMUGVCBXRMMZNV-CQSZACIVSA-N -1 0 333.347 3.020 40 30 EGEBRM COc1cc(/C=N/c2cccc(-c3n[n-]c(=N)s3)c2)ccc1O ZINC000408718099 457587962 /nfs/dbraw/zinc/58/79/62/457587962.db2.gz JJCZVFLCKJGKEH-GIJQJNRQSA-N -1 0 326.381 3.082 40 30 EGEBRM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000078988953 202413358 /nfs/dbraw/zinc/41/33/58/202413358.db2.gz RZCGBGKHWVBTRS-IRXDYDNUSA-N -1 0 345.420 3.285 40 30 EGEBRM C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000003927795 201585033 /nfs/dbraw/zinc/58/50/33/201585033.db2.gz XEFVQCSDIKHROY-SEMYFXIOSA-N -1 0 332.440 3.190 40 30 EGEBRM Cc1cccc(OCCN2c3ccc(Cl)cc3/C(=N/[O-])C2=O)c1 ZINC000101102014 204001183 /nfs/dbraw/zinc/00/11/83/204001183.db2.gz IXLZQOXTCZFTBT-MNDPQUGUSA-N -1 0 330.771 3.252 40 30 EGEBRM Cc1ccccc1N1C(=O)[C@@H](CC(=O)[O-])S/C1=N\C1CCCC1 ZINC000003601321 452783012 /nfs/dbraw/zinc/78/30/12/452783012.db2.gz LEJNKBPIMVOEKT-MGPWXQLLSA-N -1 0 332.425 3.217 40 30 EGEBRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000006328383 452935556 /nfs/dbraw/zinc/93/55/56/452935556.db2.gz TUOIXUCGQMNVHA-UHFFFAOYSA-N -1 0 336.800 3.330 40 30 EGEBRM CC(=O)ON=C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccccc1 ZINC000006526617 452950535 /nfs/dbraw/zinc/95/05/35/452950535.db2.gz HDLWEVJXGHQOTF-DYTRJAOYSA-N -1 0 335.363 3.202 40 30 EGEBRM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000016147454 453597134 /nfs/dbraw/zinc/59/71/34/453597134.db2.gz HHBOSDLCZIVLHY-UHFFFAOYSA-N -1 0 337.198 3.122 40 30 EGEBRM COc1ccc([C@@H]2CCc3cc4c(cc3/C2=N\[O-])OCO4)cc1OC ZINC000016999823 453626429 /nfs/dbraw/zinc/62/64/29/453626429.db2.gz JQEHLDMXRJMVNO-UUPHZHHOSA-N -1 0 341.363 3.341 40 30 EGEBRM Cc1cccc(S(=O)(=O)[N-]C(=O)c2occc2Br)c1 ZINC000083763080 453959460 /nfs/dbraw/zinc/95/94/60/453959460.db2.gz VBJNAXSNEWOWRU-UHFFFAOYSA-N -1 0 344.186 3.044 40 30 EGEBRM C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000076761282 454034856 /nfs/dbraw/zinc/03/48/56/454034856.db2.gz BABAGIJEVMEMPU-LBPRGKRZSA-N -1 0 336.388 3.135 40 30 EGEBRM CSc1[n-]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1C#N ZINC000077009812 454060382 /nfs/dbraw/zinc/06/03/82/454060382.db2.gz KBAKZJWNAYVRJV-MEBBXXQBSA-N -1 0 339.420 3.044 40 30 EGEBRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000078612407 454286294 /nfs/dbraw/zinc/28/62/94/454286294.db2.gz UDWCOMCGBTWJJJ-LURJTMIESA-N -1 0 345.339 3.241 40 30 EGEBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408536524 457580872 /nfs/dbraw/zinc/58/08/72/457580872.db2.gz RSUWBGFDMDXOHL-INIZCTEOSA-N -1 0 349.390 3.159 40 30 EGEBRM Cc1ccccc1OCCN1c2cccc(Cl)c2/C(=N/[O-])C1=O ZINC000046085236 1291525694 /nfs/dbraw/zinc/52/56/94/1291525694.db2.gz KJWNLIKYWBLMRQ-MNDPQUGUSA-N -1 0 330.771 3.252 40 30 EGEBRM COc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000078665005 202399021 /nfs/dbraw/zinc/39/90/21/202399021.db2.gz VNRIHEBCPAQRDM-NSHDSACASA-N -1 0 337.372 3.283 40 30 EGEBRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C)sc1Br ZINC000084852184 201492344 /nfs/dbraw/zinc/49/23/44/201492344.db2.gz NNZGEAXYJAQPCL-IYSWYEEDSA-N -1 0 338.248 3.120 40 30 EGEBRM CC(=O)Nc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000020932427 212189587 /nfs/dbraw/zinc/18/95/87/212189587.db2.gz BOZIFIPLKVKJQC-WOJGMQOQSA-N -1 0 337.408 3.448 40 30 EGEBRM O=C([O-])c1ccc(Cl)cc1NC=C1C(=O)ON=C1c1ccccc1 ZINC000101662236 204017368 /nfs/dbraw/zinc/01/73/68/204017368.db2.gz CNLIPUOCANBBHC-LCYFTJDESA-N -1 0 342.738 3.295 40 30 EGEBRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1Cl ZINC000010514771 206713607 /nfs/dbraw/zinc/71/36/07/206713607.db2.gz AWSHGKLFJVEHSI-UHFFFAOYSA-N -1 0 328.727 3.291 40 30 EGEBRM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N ZINC000095351584 218285618 /nfs/dbraw/zinc/28/56/18/218285618.db2.gz ZIGSJELRQGYINN-UXHICEINSA-N -1 0 342.402 3.468 40 30 EGEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(OC(F)F)cc1 ZINC000012625370 453385860 /nfs/dbraw/zinc/38/58/60/453385860.db2.gz OSFRPHDOZVWFRN-QNGOZBTKSA-N -1 0 344.321 3.479 40 30 EGEBRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C)c(C)c2)cc1OC ZINC000058379191 454196168 /nfs/dbraw/zinc/19/61/68/454196168.db2.gz KCRBGXCYWBEXLV-UHFFFAOYSA-N -1 0 349.408 3.014 40 30 EGEBRM C[C@H](C(=O)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000095407450 454205315 /nfs/dbraw/zinc/20/53/15/454205315.db2.gz XUJRYZOVZREOPJ-NSHDSACASA-N -1 0 334.397 3.174 40 30 EGEBRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCc3ccccc32)cc1 ZINC000096407054 454325614 /nfs/dbraw/zinc/32/56/14/454325614.db2.gz AWQNDSXALGEOEK-OAHLLOKOSA-N -1 0 340.404 3.324 40 30 EGEBRM C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21)n1cccc1 ZINC000096409065 454327020 /nfs/dbraw/zinc/32/70/20/454327020.db2.gz CIUMRNRLODWDER-CYBMUJFWSA-N -1 0 343.408 3.333 40 30 EGEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2ccco2)cc1N(C)C ZINC000096475768 454362928 /nfs/dbraw/zinc/36/29/28/454362928.db2.gz AZEMSEPEEOSNRW-KBPBESRZSA-N -1 0 348.424 3.103 40 30 EGEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cccc2)cc1N(C)C ZINC000096475762 454363030 /nfs/dbraw/zinc/36/30/30/454363030.db2.gz SVMZHPZUAMAKAI-AWEZNQCLSA-N -1 0 349.456 3.159 40 30 EGEBRM COC(=O)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1 ZINC000136422860 454742407 /nfs/dbraw/zinc/74/24/07/454742407.db2.gz COCITTBPDQACOD-AHLSMLBPSA-N -1 0 344.417 3.348 40 30 EGEBRM N#Cc1c(N)nc2c(c1-c1ccc([O-])c(Br)c1)CCCC2 ZINC000408977653 457591443 /nfs/dbraw/zinc/59/14/43/457591443.db2.gz FBSNIRAQYOWCNM-UHFFFAOYSA-N -1 0 344.212 3.380 40 30 EGEBRM CCCCCCC[C@H](O)/C=C\[C@@H](O)CC[C@@H](O)CCCC(=O)[O-] ZINC000229769449 534989928 /nfs/dbraw/zinc/98/99/28/534989928.db2.gz FITAKYVPWCVTII-AXSGGKLASA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM O=C([O-])CCC/C=C1\C[C@@H]2C[C@H](O)[C@H](C#CC3(O)CCCCC3)[C@H]2C1 ZINC000064858015 304045853 /nfs/dbraw/zinc/04/58/53/304045853.db2.gz LGIPMFCHTFFLFR-PCLKITIKSA-N -1 0 346.467 3.273 40 30 in-vitro EGEBRM C=CC(C)(C)N1C(=O)C(C(C)=O)=C([O-])[C@@H]1Cc1c[nH]c2ccccc12 ZINC000104247602 204102217 /nfs/dbraw/zinc/10/22/17/204102217.db2.gz GFYLTEZAERBSRX-INIZCTEOSA-N -1 0 338.407 3.287 40 30 EGEBRM O=[N+]([O-])c1ccc([O-])c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000409038364 257881860 /nfs/dbraw/zinc/88/18/60/257881860.db2.gz ONMNXGYESJGPTC-JJPRUIFNSA-N -1 0 349.162 3.014 40 30 EGEBRM CC(C)N=Nc1nc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)cs1 ZINC000006614219 452960933 /nfs/dbraw/zinc/96/09/33/452960933.db2.gz ZRZJEEURJTYUSN-UHFFFAOYSA-N -1 0 346.412 3.421 40 30 EGEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(OC(F)F)c1 ZINC000012625366 453386661 /nfs/dbraw/zinc/38/66/61/453386661.db2.gz AHHAPOWCPJYCSE-RCCKNPSSSA-N -1 0 344.321 3.479 40 30 EGEBRM N#Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)sc2c1CCC2 ZINC000016482405 453609598 /nfs/dbraw/zinc/60/95/98/453609598.db2.gz NLFYKEVYSFEWCI-CYBMUJFWSA-N -1 0 340.404 3.305 40 30 EGEBRM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1O ZINC000020932530 453669840 /nfs/dbraw/zinc/66/98/40/453669840.db2.gz PCLWWZVSQPTHQW-LICLKQGHSA-N -1 0 326.381 3.204 40 30 EGEBRM COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000059248006 454254752 /nfs/dbraw/zinc/25/47/52/454254752.db2.gz ISHCSRKNHQVXMS-HSWQHBDASA-N -1 0 341.363 3.384 40 30 EGEBRM COC(=O)c1ccc(C)c(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000059303008 454256384 /nfs/dbraw/zinc/25/63/84/454256384.db2.gz FUNSEFJHFQXTNH-HSWQHBDASA-N -1 0 341.363 3.384 40 30 EGEBRM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000078989146 454350280 /nfs/dbraw/zinc/35/02/80/454350280.db2.gz RLZKRBNWYAQFAI-ZDUSSCGKSA-N -1 0 333.409 3.424 40 30 EGEBRM CCc1nnc(C2=C([O-])C(=Cc3cccc(O)c3)SC2=N)s1 ZINC000107775353 454772266 /nfs/dbraw/zinc/77/22/66/454772266.db2.gz HRXPNAAWMXNQCZ-RKMYABCYSA-N -1 0 331.422 3.224 40 30 EGEBRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1noc2c1CCCCC2 ZINC000158768251 455327559 /nfs/dbraw/zinc/32/75/59/455327559.db2.gz CMWVBHMLTOFQJM-ZDUSSCGKSA-N -1 0 334.379 3.320 40 30 EGEBRM CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)[O-])c(N)c1 ZINC000255187844 455863151 /nfs/dbraw/zinc/86/31/51/455863151.db2.gz HCRLBCMNLJAZPW-UHFFFAOYSA-N -1 0 344.433 3.425 40 30 EGEBRM CCCCCCCC[C@@H](O)[C@@H](O)/C=C\[C@H](O)CCCCC(=O)[O-] ZINC000067911369 202202435 /nfs/dbraw/zinc/20/24/35/202202435.db2.gz KFPLVZLISLBBSJ-USHIQKTFSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM CC(C)COc1ccc(C2(C(=O)[N-]S(C)(=O)=O)CCC2)cc1 ZINC000078773265 202401083 /nfs/dbraw/zinc/40/10/83/202401083.db2.gz NVYFGVIYKUWOMH-UHFFFAOYSA-N -1 0 325.430 3.059 40 30 EGEBRM CSc1[n-]c(=O)c(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1C#N ZINC000077009816 202390781 /nfs/dbraw/zinc/39/07/81/202390781.db2.gz KBAKZJWNAYVRJV-ZUZCIYMTSA-N -1 0 339.420 3.044 40 30 EGEBRM Cc1ccc2nc3[n-]c([N-][NH+]=Cc4ccc(N(C)C)cc4)nnc-3c2c1 ZINC000006281471 292300489 /nfs/dbraw/zinc/30/04/89/292300489.db2.gz FCCAESRVSUSFCS-RGVLZGJSSA-N -1 0 345.410 3.327 40 30 EGEBRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000005579519 452886591 /nfs/dbraw/zinc/88/65/91/452886591.db2.gz NODZQTIVFGWQJG-UHFFFAOYSA-N -1 0 337.198 3.122 40 30 EGEBRM CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1[O-] ZINC000037142995 453934391 /nfs/dbraw/zinc/93/43/91/453934391.db2.gz HUFOBWXGCYUBMY-VXLYETTFSA-N -1 0 349.774 3.476 40 30 EGEBRM COc1cc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc(OC)c1OC ZINC000096404603 454323173 /nfs/dbraw/zinc/32/31/73/454323173.db2.gz RKHZXAAHBRXCED-SNAWJCMRSA-N -1 0 348.376 3.368 40 30 EGEBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408534490 457581106 /nfs/dbraw/zinc/58/11/06/457581106.db2.gz MEDTUAZJZMHKAK-INIZCTEOSA-N -1 0 349.390 3.159 40 30 EGEBRM Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409139723 457594546 /nfs/dbraw/zinc/59/45/46/457594546.db2.gz DTRWZQZJENSIED-CIAFOILYSA-N -1 0 342.370 3.420 40 30 EGEBRM C[C@@H]1CCc2c(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)csc2C1 ZINC000516504507 458818719 /nfs/dbraw/zinc/81/87/19/458818719.db2.gz CYSYFKCQBZYIRQ-SECBINFHSA-N -1 0 326.425 3.019 40 30 EGEBRM CCCCCCCC[C@H](O)[C@@H](O)/C=C\[C@H](O)CCCCC(=O)[O-] ZINC000067911367 215248872 /nfs/dbraw/zinc/24/88/72/215248872.db2.gz KFPLVZLISLBBSJ-AJOYBBIHSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM CC(C)(C)c1nnc(NN=Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000016776929 201978927 /nfs/dbraw/zinc/97/89/27/201978927.db2.gz MVSLTZMCQNYLBP-REZTVBANSA-N -1 0 340.214 3.215 40 30 EGEBRM O=C1c2ccccc2C(=O)N1/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000071782884 203112974 /nfs/dbraw/zinc/11/29/74/203112974.db2.gz OXEQBGOMYAVJJM-WSVATBPTSA-N -1 0 335.146 3.329 40 30 EGEBRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCc3ccccc32)cc1 ZINC000096407055 218758367 /nfs/dbraw/zinc/75/83/67/218758367.db2.gz AWQNDSXALGEOEK-HNNXBMFYSA-N -1 0 340.404 3.324 40 30 EGEBRM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)CCc2ccc(F)cc2)s1 ZINC000096446953 257834357 /nfs/dbraw/zinc/83/43/57/257834357.db2.gz RIINVQYPPZMXID-UHFFFAOYSA-N -1 0 342.417 3.177 40 30 EGEBRM C=CC(C)(C)N1C(=O)C(C(C)=O)=C([O-])[C@H]1Cc1c[nH]c2ccccc12 ZINC000008655793 453219219 /nfs/dbraw/zinc/21/92/19/453219219.db2.gz GFYLTEZAERBSRX-MRXNPFEDSA-N -1 0 338.407 3.287 40 30 EGEBRM COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1O ZINC000035352602 453923018 /nfs/dbraw/zinc/92/30/18/453923018.db2.gz UPSVLOBIOCFVKV-ZRFBOOQPSA-N -1 0 332.406 3.275 40 30 EGEBRM COC(=O)c1cccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1C ZINC000039557395 453944929 /nfs/dbraw/zinc/94/49/29/453944929.db2.gz SVVINGPWLOSFHY-HSWQHBDASA-N -1 0 341.363 3.384 40 30 EGEBRM C[C@]1(C(=O)[N-]S(=O)(=O)c2cccnc2)CCCc2ccccc21 ZINC000078979032 454348064 /nfs/dbraw/zinc/34/80/64/454348064.db2.gz RNASDMMIPZEINN-KRWDZBQOSA-N -1 0 330.409 3.021 40 30 EGEBRM N#Cc1c[nH]nc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000091052292 454372635 /nfs/dbraw/zinc/37/26/35/454372635.db2.gz OKQCTGUIBOGPCI-UHFFFAOYSA-N -1 0 330.413 3.130 40 30 EGEBRM CC(=O)Oc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1 ZINC000136772895 454755340 /nfs/dbraw/zinc/75/53/40/454755340.db2.gz RNZLTNOPARROQG-CBZGGUPYSA-N -1 0 344.417 3.486 40 30 EGEBRM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000226860900 520059669 /nfs/dbraw/zinc/05/96/69/520059669.db2.gz QKCRMOAICJJNKF-UHFFFAOYSA-N -1 0 333.837 3.287 40 30 EGEBRM CCCCCCC[C@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)[O-] ZINC000038139745 520068436 /nfs/dbraw/zinc/06/84/36/520068436.db2.gz FITAKYVPWCVTII-XPVQVTDFSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM COc1ccc(CN2C(=O)/C(=N\[O-])c3cc(C)cc(C)c32)cc1OC ZINC000046084849 1291524265 /nfs/dbraw/zinc/52/42/65/1291524265.db2.gz FQFQTVILKCSRGD-JZJYNLBNSA-N -1 0 340.379 3.046 40 30 EGEBRM C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc2ccccc2c1O ZINC000102402539 219200384 /nfs/dbraw/zinc/20/03/84/219200384.db2.gz JZWYHOGBERYDEI-CPNJWEJPSA-N -1 0 340.404 3.248 40 30 EGEBRM O=C(Nc1ccccc1Cl)C1=C([O-])C(=O)c2ccccc2C1=O ZINC000026330565 304008911 /nfs/dbraw/zinc/00/89/11/304008911.db2.gz SFNBZQYRWSJFAQ-UHFFFAOYSA-N -1 0 327.723 3.170 40 30 EGEBRM C=CCSc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000225755659 205096157 /nfs/dbraw/zinc/09/61/57/205096157.db2.gz YUBMVUAPOWXISR-UHFFFAOYSA-N -1 0 347.874 3.270 40 30 EGEBRM C#CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000408614205 257894262 /nfs/dbraw/zinc/89/42/62/257894262.db2.gz ZSQBQUNPWCMOAS-UHFFFAOYSA-N -1 0 325.364 3.408 40 30 EGEBRM Cn1c2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2oc1=O ZINC000330031768 258002951 /nfs/dbraw/zinc/00/29/51/258002951.db2.gz 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COc1cccc(C/C(=N\[O-])c2cccc(OC)c2OC)c1OC ZINC000016970776 453625431 /nfs/dbraw/zinc/62/54/31/453625431.db2.gz LQMGKQKPAAAPEY-XMHGGMMESA-N -1 0 331.368 3.142 40 30 EGEBRM C=CCn1c(=O)c2ccc(C(=O)NCCCCC)cc2[n-]c1=S ZINC000017322379 453633625 /nfs/dbraw/zinc/63/36/25/453633625.db2.gz JQJVFFQHYPPBDQ-UHFFFAOYSA-N -1 0 331.441 3.165 40 30 EGEBRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)C1CC=CC1 ZINC000096420350 454335036 /nfs/dbraw/zinc/33/50/36/454335036.db2.gz PUWNZOGVAUHYJX-UHFFFAOYSA-N -1 0 344.230 3.369 40 30 EGEBRM Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000079029099 454357651 /nfs/dbraw/zinc/35/76/51/454357651.db2.gz OIQMBAZKRQXDQL-HWKANZROSA-N -1 0 344.364 3.088 40 30 EGEBRM N#C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000097374753 454434154 /nfs/dbraw/zinc/43/41/54/454434154.db2.gz OXSJCJDGEJJEQM-LLVKDONJSA-N -1 0 342.223 3.082 40 30 EGEBRM O=C([O-])COc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408846316 457588653 /nfs/dbraw/zinc/58/86/53/457588653.db2.gz MSFLKQMUELSQIB-IUXPMGMMSA-N -1 0 334.715 3.462 40 30 EGEBRM C/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N1C ZINC000408929165 457589807 /nfs/dbraw/zinc/58/98/07/457589807.db2.gz HWZHJXRAACRTHS-CFYUHYMKSA-N -1 0 342.376 3.177 40 30 EGEBRM COC(=O)c1cc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl ZINC000408965318 457590178 /nfs/dbraw/zinc/59/01/78/457590178.db2.gz VQLQDUFAFJWLCR-CAOOACKPSA-N -1 0 334.715 3.491 40 30 EGEBRM Cc1c(C#N)cccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593955846 460026755 /nfs/dbraw/zinc/02/67/55/460026755.db2.gz DAYVMWDUJKUMFO-FPMFFAJLSA-N -1 0 329.400 3.124 40 30 EGEBRM COc1cc(C(=O)/C=C/c2ccc(F)cc2)ccc1OCC(=O)[O-] ZINC000008322839 522048769 /nfs/dbraw/zinc/04/87/69/522048769.db2.gz NNTDVCULRWYISG-XBXARRHUSA-N -1 0 330.311 3.194 40 30 EGEBRM COc1cc(C(=O)/C=C/c2ccc(F)c(F)c2)ccc1OCC(=O)[O-] ZINC000008313361 522049211 /nfs/dbraw/zinc/04/92/11/522049211.db2.gz OUCKVQLXFAAUFQ-ZZXKWVIFSA-N -1 0 348.301 3.333 40 30 EGEBRM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)c(O)c2)cc1 ZINC000054382144 214235264 /nfs/dbraw/zinc/23/52/64/214235264.db2.gz NQUFBRIRAYWMLK-MFOYZWKCSA-N -1 0 326.381 3.210 40 30 EGEBRM O=[N+]([O-])c1cccc(/C=N\N=c2\[n-]nc(Cl)c3ccccc32)c1 ZINC000004471576 210195020 /nfs/dbraw/zinc/19/50/20/210195020.db2.gz UXNBRNASCNCLGL-MFOYZWKCSA-N -1 0 327.731 3.059 40 30 EGEBRM O=C([O-])CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](C#CC3(O)CCCCC3)[C@H]2C1 ZINC000064858012 304045901 /nfs/dbraw/zinc/04/59/01/304045901.db2.gz LGIPMFCHTFFLFR-LWPJEIPKSA-N -1 0 346.467 3.273 40 30 in-vitro EGEBRM CCCS(=O)(=O)[N-]C(=O)CCc1ccc(Br)cc1 ZINC000096452518 218835554 /nfs/dbraw/zinc/83/55/54/218835554.db2.gz BWNNUMGKRSOZCQ-UHFFFAOYSA-N -1 0 334.235 3.078 40 30 EGEBRM O=[N+]([O-])c1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1[O-] ZINC000409093897 257880060 /nfs/dbraw/zinc/88/00/60/257880060.db2.gz BKNLIDGBDRNWDM-NGYBGAFCSA-N -1 0 326.234 3.160 40 30 EGEBRM COc1ccc(C([O-])=C(C)C=O)c(OCc2ccccc2)c1OC ZINC000031720501 453852442 /nfs/dbraw/zinc/85/24/42/453852442.db2.gz GTXLPEQSPUVEGQ-ZDUSSCGKSA-N -1 0 328.364 3.301 40 30 EGEBRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1C#N ZINC000077009818 454059922 /nfs/dbraw/zinc/05/99/22/454059922.db2.gz KBAKZJWNAYVRJV-BMIGLBTASA-N -1 0 339.420 3.044 40 30 EGEBRM C=CCn1c2ccccc2c(I)c1C(=O)[O-] ZINC000062709396 454384400 /nfs/dbraw/zinc/38/44/00/454384400.db2.gz JAXOVYHNXJRRNJ-UHFFFAOYSA-N -1 0 327.121 3.130 40 30 EGEBRM CN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000138304321 454790972 /nfs/dbraw/zinc/79/09/72/454790972.db2.gz HNDSFJNLMLOQFT-WBCCSYDZSA-N -1 0 328.349 3.212 40 30 EGEBRM C=CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)cc1 ZINC000223693244 456060214 /nfs/dbraw/zinc/06/02/14/456060214.db2.gz LMBGGQANSOILPJ-UHFFFAOYSA-N -1 0 337.372 3.200 40 30 EGEBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1C ZINC000408528751 457581128 /nfs/dbraw/zinc/58/11/28/457581128.db2.gz BVPGYKWGBAPXFP-INIZCTEOSA-N -1 0 349.390 3.213 40 30 EGEBRM C=CCc1cc(CO)cc(OC)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409116831 457593513 /nfs/dbraw/zinc/59/35/13/457593513.db2.gz MVYZDAZWENVSPU-UHFFFAOYSA-N -1 0 328.364 3.193 40 30 EGEBRM O=C1/C(=N\[O-])c2c(cccc2Cl)N1CCCOc1ccccc1 ZINC000046085221 1291525492 /nfs/dbraw/zinc/52/54/92/1291525492.db2.gz VLSPQKUFDRSKSH-MNDPQUGUSA-N -1 0 330.771 3.334 40 30 EGEBRM COC(=O)c1ccccc1/N=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000408808339 257888592 /nfs/dbraw/zinc/88/85/92/257888592.db2.gz FPQVWOOPTAOKSE-XHEYCZLTSA-N -1 0 327.336 3.076 40 30 EGEBRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000005231539 452850683 /nfs/dbraw/zinc/85/06/83/452850683.db2.gz USPIQDQGHYKBKJ-LFYBBSHMSA-N -1 0 335.359 3.408 40 30 EGEBRM Oc1ccc(Cl)cc1C=NNc1nnc2c3ccccc3nc-2[n-]1 ZINC000006230053 452926491 /nfs/dbraw/zinc/92/64/91/452926491.db2.gz HYCANOQFSXLHBK-QGMBQPNBSA-N -1 0 338.758 3.311 40 30 EGEBRM CCCCN1c2ccccc2C(=NNc2ccc(C(=O)[O-])cc2)C1=O ZINC000013350957 453461192 /nfs/dbraw/zinc/46/11/92/453461192.db2.gz 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EGEBRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@H]1CCOc2ccccc21 ZINC000077558656 454123319 /nfs/dbraw/zinc/12/33/19/454123319.db2.gz SGOSJQWLRPTHPC-AWEZNQCLSA-N -1 0 335.356 3.037 40 30 EGEBRM CCOC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000059248513 454254288 /nfs/dbraw/zinc/25/42/88/454254288.db2.gz CBYRFKNVLYUZOT-DZUMZMOTSA-N -1 0 341.363 3.466 40 30 EGEBRM CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1C1CC1 ZINC000089986964 454255329 /nfs/dbraw/zinc/25/53/29/454255329.db2.gz VDVDZGBEYJDKBK-NSHDSACASA-N -1 0 339.461 3.166 40 30 EGEBRM C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccc(N)cc1 ZINC000100260794 454464957 /nfs/dbraw/zinc/46/49/57/454464957.db2.gz WEYVVQROXJZSQG-VAWYXSNFSA-N -1 0 349.390 3.025 40 30 EGEBRM COc1cccc(/C=N\c2ccc(N(C)C)cc2)c1O[C@@H](C)C(=O)[O-] ZINC000409232243 457596767 /nfs/dbraw/zinc/59/67/67/457596767.db2.gz PLHNKWHYGNIURL-RQZLXBNYSA-N -1 0 342.395 3.364 40 30 EGEBRM COc1ccc(CN2c3ccc(Cl)cc3/C(=N/[O-])C2=O)cc1OC ZINC000101101993 219116067 /nfs/dbraw/zinc/11/60/67/219116067.db2.gz AEMZDRWFFKZDOU-MNDPQUGUSA-N -1 0 346.770 3.082 40 30 EGEBRM CCCCCCCC[C@H](O)[C@H](O)/C=C\[C@H](O)CCCCC(=O)[O-] ZINC000067911359 282653157 /nfs/dbraw/zinc/65/31/57/282653157.db2.gz KFPLVZLISLBBSJ-HEDBHGFYSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM CCCCCCCC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCC ZINC000104210082 219361199 /nfs/dbraw/zinc/36/11/99/219361199.db2.gz HFAXYWDXLCVREV-NSHDSACASA-N -1 0 343.449 3.057 40 30 EGEBRM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000078988940 217167183 /nfs/dbraw/zinc/16/71/83/217167183.db2.gz RZCGBGKHWVBTRS-SJORKVTESA-N -1 0 345.420 3.285 40 30 EGEBRM Cn1c2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2oc1=O ZINC000330031766 258002792 /nfs/dbraw/zinc/00/27/92/258002792.db2.gz CYXMJUOJBVNGMH-LLVKDONJSA-N -1 0 349.371 3.231 40 30 EGEBRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)s2)n1 ZINC000006610290 258052345 /nfs/dbraw/zinc/05/23/45/258052345.db2.gz LSISCNRDIXJTLM-MRVPVSSYSA-N -1 0 340.813 3.200 40 30 EGEBRM Cc1ccc(C=CC(=O)[N-]S(=O)(=O)N2CCCc3ccccc32)o1 ZINC000078527241 258065576 /nfs/dbraw/zinc/06/55/76/258065576.db2.gz FXUBZUGGIZYJEW-ZHACJKMWSA-N -1 0 346.408 3.255 40 30 EGEBRM O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000018170084 453645916 /nfs/dbraw/zinc/64/59/16/453645916.db2.gz XGGWRKHENGOXKF-ZROIWOOFSA-N -1 0 341.348 3.192 40 30 EGEBRM C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000076761285 454034305 /nfs/dbraw/zinc/03/43/05/454034305.db2.gz BABAGIJEVMEMPU-GFCCVEGCSA-N -1 0 336.388 3.135 40 30 EGEBRM CCC(CC)CN(CCC#N)C(=O)c1n[n-]c2ccccc2c1=O ZINC000096411229 454329196 /nfs/dbraw/zinc/32/91/96/454329196.db2.gz SLFLDKNIBOCAKY-UHFFFAOYSA-N -1 0 326.400 3.127 40 30 EGEBRM Cc1ccc(CN(C(=O)OC(C)(C)C)[C@H](CS)C(=O)[O-])cc1 ZINC000064219691 454467582 /nfs/dbraw/zinc/46/75/82/454467582.db2.gz HEUDASHHRIUXAH-CYBMUJFWSA-N -1 0 325.430 3.115 40 30 EGEBRM N#CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1 ZINC000137645468 454783812 /nfs/dbraw/zinc/78/38/12/454783812.db2.gz 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CCCCNC(=O)N=S(=O)([O-])c1ccccc1-c1ccccc1 ZINC000036394562 213097407 /nfs/dbraw/zinc/09/74/07/213097407.db2.gz YWWNAIIJUNAUOU-UHFFFAOYSA-N -1 0 332.425 3.346 40 30 EGEBRM Cc1ccc(C(=O)C=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000019593833 212050265 /nfs/dbraw/zinc/05/02/65/212050265.db2.gz QNSHGNWWBTUHJO-VYENPZKTSA-N -1 0 348.402 3.458 40 30 EGEBRM Cc1cc(/C=N/NCc2ccccn2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000006626376 258052235 /nfs/dbraw/zinc/05/22/35/258052235.db2.gz YZLQJEKKRHJPPH-WSDLNYQXSA-N -1 0 348.406 3.311 40 30 EGEBRM CCOC(=O)C(C#N)=C([O-])c1ccccc1-c1ccccc1[N+](=O)[O-] ZINC000001724168 285833991 /nfs/dbraw/zinc/83/39/91/285833991.db2.gz JQHRJMOGZIYZPD-HNNXBMFYSA-N -1 0 338.319 3.147 40 30 EGEBRM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000083147708 453940617 /nfs/dbraw/zinc/94/06/17/453940617.db2.gz WRBXPTBBEKGPQJ-MAZHCROVSA-N -1 0 334.441 3.384 40 30 EGEBRM COCCOc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000044027702 454086277 /nfs/dbraw/zinc/08/62/77/454086277.db2.gz ZMEAJHWGXKNOPO-KRXBUXKQSA-N -1 0 343.335 3.222 40 30 EGEBRM CCCCCCCCCC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000070665807 454170007 /nfs/dbraw/zinc/17/00/07/454170007.db2.gz HKUCLNWSOJJBSV-MSOLQXFVSA-N -1 0 335.444 3.430 40 30 biogenic EGEBRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1F ZINC000060043350 454267483 /nfs/dbraw/zinc/26/74/83/454267483.db2.gz LEKFOFKMDHDSBH-LBPRGKRZSA-N -1 0 337.310 3.415 40 30 EGEBRM CC[C@H](C)CS(=O)(=O)[N-]C(=O)c1sccc1Br ZINC000079029187 454357462 /nfs/dbraw/zinc/35/74/62/454357462.db2.gz DLXQAYIHLFXLEI-ZETCQYMHSA-N -1 0 340.264 3.191 40 30 EGEBRM C#CCN(Cc1cccc(C)n1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000074194138 454542881 /nfs/dbraw/zinc/54/28/81/454542881.db2.gz FGRGDHBPGFRIHB-UHFFFAOYSA-N -1 0 337.404 3.469 40 30 EGEBRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179612975 455061333 /nfs/dbraw/zinc/06/13/33/455061333.db2.gz MZCIRZVZPYOMMD-MRXNPFEDSA-N -1 0 339.370 3.145 40 30 EGEBRM O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c([O-])c(Cl)c2)nc1 ZINC000408749827 457587862 /nfs/dbraw/zinc/58/78/62/457587862.db2.gz JCYSAKVIHYCPTM-BNCCVWRVSA-N -1 0 327.127 3.448 40 30 EGEBRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)CCc1ccsc1 ZINC000079355802 526008914 /nfs/dbraw/zinc/00/89/14/526008914.db2.gz IKQSZQWRCKMQRH-UHFFFAOYSA-N -1 0 334.422 3.206 40 30 EGEBRM COc1ccccc1N=NNc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000018167436 211985774 /nfs/dbraw/zinc/98/57/74/211985774.db2.gz VOCJIECKEWOVOE-UHFFFAOYSA-N -1 0 348.384 3.471 40 30 EGEBRM O=[N+]([O-])c1ccc(N=NCc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC000012339648 453356702 /nfs/dbraw/zinc/35/67/02/453356702.db2.gz SKTFXOYRLQSRAW-BNCCVWRVSA-N -1 0 327.127 3.448 40 30 EGEBRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1 ZINC000096502372 454372802 /nfs/dbraw/zinc/37/28/02/454372802.db2.gz MOOCKWKONRGHIQ-CQSZACIVSA-N -1 0 339.461 3.157 40 30 EGEBRM N#C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1F ZINC000097374754 454434448 /nfs/dbraw/zinc/43/44/48/454434448.db2.gz OXSJCJDGEJJEQM-NSHDSACASA-N -1 0 342.223 3.082 40 30 EGEBRM COC(=O)c1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1 ZINC000107888160 454775438 /nfs/dbraw/zinc/77/54/38/454775438.db2.gz COCITTBPDQACOD-GTGIWIMKSA-N -1 0 344.417 3.348 40 30 EGEBRM CCCCCCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000226856408 456113529 /nfs/dbraw/zinc/11/35/29/456113529.db2.gz UADZSCLLUPVSHE-UHFFFAOYSA-N -1 0 333.837 3.287 40 30 EGEBRM CCOc1ccc(/C=N/c2cccc(-c3n[n-]c(=N)s3)c2)cc1O ZINC000408718351 457587852 /nfs/dbraw/zinc/58/78/52/457587852.db2.gz LQYKDSNLWQNARA-VXLYETTFSA-N -1 0 340.408 3.473 40 30 EGEBRM CCCCCCCCCCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000103637530 519985845 /nfs/dbraw/zinc/98/58/45/519985845.db2.gz LYGFQYMZWLCANQ-CVEARBPZSA-N -1 0 327.465 3.344 40 30 EGEBRM CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1ccc(C)s1)c1ccccc1 ZINC000078611893 523789165 /nfs/dbraw/zinc/78/91/65/523789165.db2.gz ZAFQYVSWFGCJME-OAHLLOKOSA-N -1 0 339.438 3.264 40 30 EGEBRM CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/c1cccc2ccccc21 ZINC000107037615 1293058272 /nfs/dbraw/zinc/05/82/72/1293058272.db2.gz OEWFVFWQEQUALJ-YWMAMYRUSA-N -1 0 328.393 3.266 40 30 EGEBRM O=C([O-])c1ccc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000000033043 304232217 /nfs/dbraw/zinc/23/22/17/304232217.db2.gz GHUQGHTXDWZTDR-SRZZPIQSSA-N -1 0 344.326 3.168 40 30 EGEBRM COc1cccc(/C=N\c2cccc([N+](=O)[O-])c2)c1O[C@H](C)C(=O)[O-] ZINC000409231512 257874019 /nfs/dbraw/zinc/87/40/19/257874019.db2.gz JNRXRUFCWVRQKT-IPHDDYSGSA-N -1 0 344.323 3.206 40 30 EGEBRM Cc1ccc2nc(Nc3ccc(Cl)cc3)c(/C=N/[O-])c(=O)n2c1 ZINC000000046531 281162243 /nfs/dbraw/zinc/16/22/43/281162243.db2.gz CLTWLHFNHLYCSM-QGMBQPNBSA-N -1 0 328.759 3.208 40 30 EGEBRM C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000005920817 300085693 /nfs/dbraw/zinc/08/56/93/300085693.db2.gz HPOIRISOGRLPBD-UHTWSYAYSA-N -1 0 344.436 3.350 40 30 EGEBRM Cc1ccccc1N1C(=O)[C@H](CC(=O)[O-])S/C1=N\C1CCCC1 ZINC000003601325 302104453 /nfs/dbraw/zinc/10/44/53/302104453.db2.gz LEJNKBPIMVOEKT-DNZUHHBVSA-N -1 0 332.425 3.217 40 30 EGEBRM O=C([O-])c1ccc(/N=C/c2cc(Br)ccc2O)cc1O ZINC000001606593 452669815 /nfs/dbraw/zinc/66/98/15/452669815.db2.gz PXSBXHUUOXUHKK-FRKPEAEDSA-N -1 0 336.141 3.309 40 30 EGEBRM O=C([O-])COc1ccccc1CN=Nc1ncc(Cl)cc1Cl ZINC000007860021 453127892 /nfs/dbraw/zinc/12/78/92/453127892.db2.gz UEOHQAMCZZNUGD-NGYBGAFCSA-N -1 0 340.166 3.298 40 30 EGEBRM COC(=O)c1cccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1C ZINC000039557396 453944788 /nfs/dbraw/zinc/94/47/88/453944788.db2.gz SVVINGPWLOSFHY-AYPRBGQRSA-N -1 0 341.363 3.384 40 30 EGEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cccc2)cc1N(C)C ZINC000096475760 454363253 /nfs/dbraw/zinc/36/32/53/454363253.db2.gz SVMZHPZUAMAKAI-CQSZACIVSA-N -1 0 349.456 3.159 40 30 EGEBRM Cc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](CS)C(=O)[O-])cc1 ZINC000064219690 454467867 /nfs/dbraw/zinc/46/78/67/454467867.db2.gz HEUDASHHRIUXAH-ZDUSSCGKSA-N -1 0 325.430 3.115 40 30 EGEBRM CC1=NOC(=O)/C1=C/c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409082316 457593580 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C=C(C)C(=O)OCCOc1ccc(C(=O)c2ccccc2)c([O-])c1 ZINC000022007521 212269534 /nfs/dbraw/zinc/26/95/34/212269534.db2.gz DOZGRCMRCPSZHG-UHFFFAOYSA-N -1 0 326.348 3.121 40 30 EGEBRM O=C([O-])c1ccc(NN=C2C(=O)Nc3ccc(C(F)(F)F)cc32)cc1 ZINC000223746206 304245974 /nfs/dbraw/zinc/24/59/74/304245974.db2.gz UESJOZWCWFNPAI-UHFFFAOYSA-N -1 0 349.268 3.172 40 30 EGEBRM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N ZINC000000271737 452551479 /nfs/dbraw/zinc/55/14/79/452551479.db2.gz ZIGSJELRQGYINN-PMACEKPBSA-N -1 0 342.402 3.468 40 30 EGEBRM CCc1noc(C)c1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791999 453960048 /nfs/dbraw/zinc/96/00/48/453960048.db2.gz ZOFOFSBVURNHQP-UHFFFAOYSA-N -1 0 342.804 3.033 40 30 EGEBRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2scnc2C2CC2)c1 ZINC000089982685 454252992 /nfs/dbraw/zinc/25/29/92/454252992.db2.gz WFFGDFCIAQYASH-UHFFFAOYSA-N -1 0 340.401 3.162 40 30 EGEBRM CC(=O)Nc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000059678923 454261780 /nfs/dbraw/zinc/26/17/80/454261780.db2.gz 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337.372 3.283 40 30 EGEBRM CN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1cccnc1 ZINC000005520353 452881118 /nfs/dbraw/zinc/88/11/18/452881118.db2.gz HWCROFCUNVQUAO-PKNIGNJESA-N -1 0 339.376 3.014 40 30 EGEBRM O=c1[nH]c(NN=Cc2cc(Cl)cc(Cl)c2[O-])nc2ccccc12 ZINC000006565860 452955099 /nfs/dbraw/zinc/95/50/99/452955099.db2.gz MPAQSXJTXWNBDV-CNHKJKLMSA-N -1 0 349.177 3.382 40 30 EGEBRM Cc1ncccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083577431 453952929 /nfs/dbraw/zinc/95/29/29/453952929.db2.gz ONXUZMFWVIVQME-UHFFFAOYSA-N -1 0 341.314 3.081 40 30 EGEBRM COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\[O-] ZINC000109720079 454834653 /nfs/dbraw/zinc/83/46/53/454834653.db2.gz NMYBLBBYOUTRIU-NVMNQCDNSA-N -1 0 334.759 3.174 40 30 EGEBRM C=CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000223677119 456059648 /nfs/dbraw/zinc/05/96/48/456059648.db2.gz BPXVCKKYHUFPTK-UHFFFAOYSA-N -1 0 349.408 3.069 40 30 EGEBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408534491 457581143 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CCCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000226857384 520038189 /nfs/dbraw/zinc/03/81/89/520038189.db2.gz LHFJVLQCUSSLBE-UHFFFAOYSA-N -1 0 327.446 3.332 40 30 EGEBRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=CC(=O)c1ccccc1 ZINC000017861001 527647704 /nfs/dbraw/zinc/64/77/04/527647704.db2.gz KOOOOSKEDONVRC-DOJUMQAQSA-N -1 0 334.375 3.150 40 30 EGEBRM CC(C)(C)N(C(=O)[O-])[C@H](C=O)Cc1ccc(Br)cc1 ZINC000228953763 564065618 /nfs/dbraw/zinc/06/56/18/564065618.db2.gz DRBGTAMJBDAYOS-LBPRGKRZSA-N -1 0 328.206 3.338 40 30 EGEBRM COc1ccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCCS2)cc1 ZINC000062716086 257691270 /nfs/dbraw/zinc/69/12/70/257691270.db2.gz OXMZTXIGIPFCHC-VMPITWQZSA-N -1 0 336.434 3.444 40 30 EGEBRM COC(=O)c1cccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC000408820118 257888120 /nfs/dbraw/zinc/88/81/20/257888120.db2.gz VFUOSWRMTCHEPG-OCKHKDLRSA-N -1 0 347.754 3.341 40 30 EGEBRM COc1ccc(C(=O)/C=C\c2ccc(OC)c(OC)c2OC)c([O-])c1 ZINC000005492980 452878881 /nfs/dbraw/zinc/87/88/81/452878881.db2.gz 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ZINC000408815251 257887891 /nfs/dbraw/zinc/88/78/91/257887891.db2.gz HBQODPNEGZKWFK-UBKPWBPPSA-N -1 0 348.771 3.061 40 30 EGEBRM COc1ccc(/C=C/C(=O)c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1O ZINC000013361815 453460495 /nfs/dbraw/zinc/46/04/95/453460495.db2.gz POGJTFSKEGKJDQ-AHAUYKDXSA-N -1 0 342.347 3.149 40 30 EGEBRM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=CC(=O)c1ccccc1 ZINC000019594229 453657547 /nfs/dbraw/zinc/65/75/47/453657547.db2.gz KOOOOSKEDONVRC-ZGKFYVQTSA-N -1 0 334.375 3.150 40 30 EGEBRM C=CCN(c1ccccc1C(=O)[O-])S(=O)(=O)/C=C\c1ccccc1 ZINC000033247565 453912609 /nfs/dbraw/zinc/91/26/09/453912609.db2.gz FVHRHJBBJASQDU-OWBHPGMISA-N -1 0 343.404 3.378 40 30 EGEBRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3cc[nH]c32)n1 ZINC000076883986 454046078 /nfs/dbraw/zinc/04/60/78/454046078.db2.gz UYIDSISRNWAENY-GFCCVEGCSA-N -1 0 339.376 3.291 40 30 EGEBRM CC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1sccc1Br ZINC000079029186 454358040 /nfs/dbraw/zinc/35/80/40/454358040.db2.gz DLXQAYIHLFXLEI-SSDOTTSWSA-N -1 0 340.264 3.191 40 30 EGEBRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000102700083 454517312 /nfs/dbraw/zinc/51/73/12/454517312.db2.gz KCYZNLKZVYCYMH-ZDUSSCGKSA-N -1 0 346.745 3.340 40 30 EGEBRM CCc1nnc(C2=C([O-])C(=Cc3ccccc3O)SC2=N)s1 ZINC000137180759 454771705 /nfs/dbraw/zinc/77/17/05/454771705.db2.gz YGZWDHLKBABPTM-AKYMWTFYSA-N -1 0 331.422 3.224 40 30 EGEBRM COC(=O)c1ccccc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000408808345 457588643 /nfs/dbraw/zinc/58/86/43/457588643.db2.gz FPQVWOOPTAOKSE-ZDFPAGSVSA-N -1 0 327.336 3.076 40 30 EGEBRM COc1ccc(CN2c3cccc(Cl)c3/C(=N/[O-])C2=O)cc1OC ZINC000046085233 1291525378 /nfs/dbraw/zinc/52/53/78/1291525378.db2.gz FENFHNMJJPGNBB-MNDPQUGUSA-N -1 0 346.770 3.082 40 30 EGEBRM CC(C)CN1c2ccccc2C(=NNc2ccc(C(=O)[O-])cc2)C1=O ZINC000007890738 201732247 /nfs/dbraw/zinc/73/22/47/201732247.db2.gz CSQMQEWKCLVAGI-FXBPSFAMSA-N -1 0 337.379 3.204 40 30 EGEBRM CCCCCCCC[C@@H](O)[C@H](O)/C=C\[C@H](O)CCCCC(=O)[O-] ZINC000067911363 202202703 /nfs/dbraw/zinc/20/27/03/202202703.db2.gz KFPLVZLISLBBSJ-CUBSXPCFSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ncccc2C(F)(F)F)c(C)o1 ZINC000097374896 454434934 /nfs/dbraw/zinc/43/49/34/454434934.db2.gz XIZDOOAPPGDLLZ-UHFFFAOYSA-N -1 0 348.302 3.004 40 30 EGEBRM CCc1nnc(C2=C([O-])C(=Cc3cccc(O)c3)SC2=N)s1 ZINC000135922907 454708965 /nfs/dbraw/zinc/70/89/65/454708965.db2.gz HRXPNAAWMXNQCZ-AKYMWTFYSA-N -1 0 331.422 3.224 40 30 EGEBRM COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075865 457593240 /nfs/dbraw/zinc/59/32/40/457593240.db2.gz YRLAPFDFNNKQIP-QGMBQPNBSA-N -1 0 335.743 3.434 40 30 EGEBRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1)c1cccs1 ZINC000096416184 526235918 /nfs/dbraw/zinc/23/59/18/526235918.db2.gz NHSNDUZTKHITCK-MRVPVSSYSA-N -1 0 330.818 3.245 40 30 EGEBRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCOc2ccccc21 ZINC000077558654 202393312 /nfs/dbraw/zinc/39/33/12/202393312.db2.gz SGOSJQWLRPTHPC-CQSZACIVSA-N -1 0 335.356 3.037 40 30 EGEBRM CC(=Cc1csc(-c2ccccn2)n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000225719207 242002231 /nfs/dbraw/zinc/00/22/31/242002231.db2.gz HEKJFECXKFRYEP-YFHOEESVSA-N -1 0 335.392 3.029 40 30 EGEBRM O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccco2)cc1 ZINC000020060647 453661943 /nfs/dbraw/zinc/66/19/43/453661943.db2.gz JTNRVKYZBCUFMA-LDADJPATSA-N -1 0 327.365 3.226 40 30 EGEBRM COc1cc(/C=N/NCc2ccccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000042646805 454017862 /nfs/dbraw/zinc/01/78/62/454017862.db2.gz FZYKQURTZJJDDX-CAOOACKPSA-N -1 0 335.747 3.086 40 30 EGEBRM CS[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000078612399 454286266 /nfs/dbraw/zinc/28/62/66/454286266.db2.gz CRPOGJQQDRJFNZ-ZCFIWIBFSA-N -1 0 345.339 3.241 40 30 EGEBRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000096411214 454327833 /nfs/dbraw/zinc/32/78/33/454327833.db2.gz NYYGVPFVDNBHSD-UHFFFAOYSA-N -1 0 346.390 3.258 40 30 EGEBRM O=C([O-])COc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1Cl ZINC000096447515 454354347 /nfs/dbraw/zinc/35/43/47/454354347.db2.gz KEVYIQOFOQJNOH-WSVATBPTSA-N -1 0 333.727 3.283 40 30 EGEBRM CC(C)CCC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000096452602 454356786 /nfs/dbraw/zinc/35/67/86/454356786.db2.gz NLPJSVFUYRAKEO-UHFFFAOYSA-N -1 0 335.429 3.013 40 30 EGEBRM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cccc2)cc1F ZINC000096474026 454362147 /nfs/dbraw/zinc/36/21/47/454362147.db2.gz LWRBNSYCDYCGAB-LLVKDONJSA-N -1 0 342.367 3.371 40 30 EGEBRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)oc2c1C(=O)CCC2 ZINC000048813661 454517181 /nfs/dbraw/zinc/51/71/81/454517181.db2.gz ULPVDJHQCUZNSF-LLVKDONJSA-N -1 0 333.347 3.473 40 30 EGEBRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000080298425 454563390 /nfs/dbraw/zinc/56/33/90/454563390.db2.gz OAPSAVXHDGABMS-UHFFFAOYSA-N -1 0 342.804 3.141 40 30 EGEBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000408536909 457580221 /nfs/dbraw/zinc/58/02/21/457580221.db2.gz TYWGXBDKDMKALQ-HNNXBMFYSA-N -1 0 349.390 3.213 40 30 EGEBRM N=c1[n-]nc(-c2cccc(/N=C/c3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000408718116 457587556 /nfs/dbraw/zinc/58/75/56/457587556.db2.gz KLCIZGNICOWBMA-RQZCQDPDSA-N -1 0 325.353 3.276 40 30 EGEBRM CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CC2CCC2)c1C1CC1 ZINC000089986962 522455620 /nfs/dbraw/zinc/45/56/20/522455620.db2.gz VDVDZGBEYJDKBK-LLVKDONJSA-N -1 0 339.461 3.166 40 30 EGEBRM Cc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000096403327 524326340 /nfs/dbraw/zinc/32/63/40/524326340.db2.gz YIFBAVZPIGFFKS-UHFFFAOYSA-N -1 0 325.336 3.161 40 30 EGEBRM COc1ccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)cc1 ZINC000035418512 202301719 /nfs/dbraw/zinc/30/17/19/202301719.db2.gz PMOOXAPDFVETGH-GRSHGNNSSA-N -1 0 332.367 3.269 40 30 EGEBRM C=CCc1cccc2cc(C(=O)Nc3ccccc3C(=O)[O-])c(=O)oc21 ZINC000000206679 209484271 /nfs/dbraw/zinc/48/42/71/209484271.db2.gz JKDGLPWBQHDXKB-UHFFFAOYSA-N -1 0 349.342 3.472 40 30 EGEBRM CCOC(=O)c1ccc(/N=C/c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000100216176 206218390 /nfs/dbraw/zinc/21/83/90/206218390.db2.gz DJRWBDJRWDHGQM-YBFXNURJSA-N -1 0 327.336 3.321 40 30 EGEBRM Cc1nnc(S/C(=C\c2cn(CC#N)c3ccccc23)C(=O)[O-])o1 ZINC000408632062 257893324 /nfs/dbraw/zinc/89/33/24/257893324.db2.gz JPHKUBWBYRZNEA-ZSOIEALJSA-N -1 0 340.364 3.074 40 30 EGEBRM CCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(C)c2)c(C(C)C)n1 ZINC000077940404 257835561 /nfs/dbraw/zinc/83/55/61/257835561.db2.gz IWVXMQOASLCMLQ-UHFFFAOYSA-N -1 0 335.429 3.028 40 30 EGEBRM C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1cccc(N)c1 ZINC000100260782 262508853 /nfs/dbraw/zinc/50/88/53/262508853.db2.gz ANORAVFXUCPXIY-ZRDIBKRKSA-N -1 0 349.390 3.025 40 30 EGEBRM CC1=NN(c2ccccc2)C(=Cc2c([O-])cnn2-c2ccccc2)C1=O ZINC000017024288 453626250 /nfs/dbraw/zinc/62/62/50/453626250.db2.gz KYRTVXATYRPASQ-PDGQHHTCSA-N -1 0 344.374 3.384 40 30 EGEBRM Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)s1 ZINC000075040417 453853812 /nfs/dbraw/zinc/85/38/12/453853812.db2.gz ANEWBRJABRCWPX-GQCTYLIASA-N -1 0 340.401 3.258 40 30 EGEBRM C=CCc1cc(/C=N/c2cccnc2)cc(OC)c1OCC(=O)[O-] ZINC000059249603 454254299 /nfs/dbraw/zinc/25/42/99/454254299.db2.gz VLWKHNYJQBPERO-KEBDBYFISA-N -1 0 326.352 3.033 40 30 EGEBRM N#CCOc1ccccc1C=C1SC(=N)C(c2nccs2)=C1[O-] ZINC000107683713 454768850 /nfs/dbraw/zinc/76/88/50/454768850.db2.gz YOWKGIWBXTZXNL-GMZUGRGDSA-N -1 0 341.417 3.463 40 30 EGEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)c(C)c3)C2=O)cc1 ZINC000408535423 457580434 /nfs/dbraw/zinc/58/04/34/457580434.db2.gz OAWKZVPHEQCMLY-QGZVFWFLSA-N -1 0 349.390 3.213 40 30 EGEBRM Cc1c(/N=C/c2ccc(N3CCOCC3)c(F)c2)cccc1C(=O)[O-] ZINC000409135811 457595146 /nfs/dbraw/zinc/59/51/46/457595146.db2.gz RECWSAIXGMZWOO-CIAFOILYSA-N -1 0 342.370 3.420 40 30 EGEBRM COc1ccc(/N=C\c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1 ZINC000409221648 457596227 /nfs/dbraw/zinc/59/62/27/457596227.db2.gz UGUDVMSOWPELQL-XHEYCZLTSA-N -1 0 329.352 3.306 40 30 EGEBRM CCc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)oc1CC ZINC000128872087 546782246 /nfs/dbraw/zinc/78/22/46/546782246.db2.gz NTEIQYPXHTWMNV-CYBMUJFWSA-N -1 0 326.400 3.212 40 30 EGEBRM 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COc1cccc(/C=N\c2ccc3c(c2)OCO3)c1O[C@@H](C)C(=O)[O-] ZINC000409232321 457597581 /nfs/dbraw/zinc/59/75/81/457597581.db2.gz QBFDGZCVRCRHDM-FBRGWYAUSA-N -1 0 343.335 3.026 40 30 EGEBRM Cc1cc(N=NCc2ccc(O)cc2O)nc(-c2ccccc2[O-])n1 ZINC000005002984 525044207 /nfs/dbraw/zinc/04/42/07/525044207.db2.gz FFAHRKFGUPZZHC-VXLYETTFSA-N -1 0 336.351 3.015 40 30 EGEBRM O=C([O-])CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](C#CC3(O)CCCCC3)[C@H]2C1 ZINC000034189869 304045822 /nfs/dbraw/zinc/04/58/22/304045822.db2.gz LGIPMFCHTFFLFR-PRYZLTTQSA-N -1 0 346.467 3.273 40 30 in-vitro EGEBRM C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)[O-] ZINC000026468990 258016619 /nfs/dbraw/zinc/01/66/19/258016619.db2.gz OZBGKPJWOBQPIM-UHFFFAOYSA-N -1 0 335.454 3.242 40 30 EGEBRM C/C(=N\c1ccccc1[N+](=O)[O-])c1c([O-])c2ccccc2n(C)c1=O ZINC000101161227 277732095 /nfs/dbraw/zinc/73/20/95/277732095.db2.gz OLSOOZRDAVOOIG-YBFXNURJSA-N -1 0 337.335 3.293 40 30 EGEBRM O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791366 453959951 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454466406 /nfs/dbraw/zinc/46/64/06/454466406.db2.gz DBCRYXNHAAOSIN-UHFFFAOYSA-N -1 0 334.375 3.454 40 30 EGEBRM C/N=C1/S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N1C ZINC000103490224 454560295 /nfs/dbraw/zinc/56/02/95/454560295.db2.gz OUFJIPIVBLIDAJ-CFYUHYMKSA-N -1 0 342.376 3.177 40 30 EGEBRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccn(Cc2ccccc2)c1 ZINC000390833219 457446397 /nfs/dbraw/zinc/44/63/97/457446397.db2.gz DVRUWMRZEABMIR-IBGZPJMESA-N -1 0 349.434 3.308 40 30 EGEBRM C=CCc1cc(/C=N/c2ccc(O)cc2)cc(OC)c1OCC(=O)[O-] ZINC000408857957 457589061 /nfs/dbraw/zinc/58/90/61/457589061.db2.gz QQPCADLSASNENL-RGVLZGJSSA-N -1 0 341.363 3.343 40 30 EGEBRM COc1cc(/C=N\c2ccc(N(C)C)cc2)ccc1O[C@H](C)C(=O)[O-] ZINC000409013350 457591080 /nfs/dbraw/zinc/59/10/80/457591080.db2.gz NBFYVHGBIRYTDV-UAAGNOOKSA-N -1 0 342.395 3.364 40 30 EGEBRM O=[N+]([O-])c1cccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000038176787 202129866 /nfs/dbraw/zinc/12/98/66/202129866.db2.gz FLZXDOJPGBGUQB-VIZOYTHASA-N -1 0 336.691 3.308 40 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COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1O[C@H](C)C(=O)[O-] ZINC000409238829 457596751 /nfs/dbraw/zinc/59/67/51/457596751.db2.gz NYFWGIWFLUGXEN-IPHDDYSGSA-N -1 0 344.323 3.206 40 30 EGEBRM COc1ccccc1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)[O-] ZINC000409237166 457597397 /nfs/dbraw/zinc/59/73/97/457597397.db2.gz JTEWHNNMRGWGTH-ZGXHQARYSA-N -1 0 329.352 3.306 40 30 EGEBRM O=C(C=Cc1cncc(F)c1)[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000096485408 527159482 /nfs/dbraw/zinc/15/94/82/527159482.db2.gz VXTHTINEZJJRIH-QPJJXVBHSA-N -1 0 346.383 3.068 40 30 EGEBRM N#Cc1c(=O)n(-c2ccccc2)nc(C(=O)[O-])c1/C=C/c1cccs1 ZINC000409197768 257874820 /nfs/dbraw/zinc/87/48/20/257874820.db2.gz ONNKFOQWAVTWLW-CMDGGOBGSA-N -1 0 349.371 3.034 40 30 EGEBRM CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791693 453960058 /nfs/dbraw/zinc/96/00/58/453960058.db2.gz MUVIAJIJLPBULE-UHFFFAOYSA-N -1 0 342.804 3.286 40 30 EGEBRM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)c1c(Cl)n(C)nc1C(C)C ZINC000095404983 454204308 /nfs/dbraw/zinc/20/43/08/454204308.db2.gz QERSJFBKSWDGER-SNVBAGLBSA-N -1 0 349.884 3.266 40 30 EGEBRM COc1cc(OC)c(OC)cc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000096404605 454323404 /nfs/dbraw/zinc/32/34/04/454323404.db2.gz DQOIOHJVSYFVRT-SNAWJCMRSA-N -1 0 348.376 3.368 40 30 EGEBRM COc1ccc([C@H]2CCc3cc4c(cc3/C2=N/[O-])OCO4)cc1OC ZINC000103041125 454534485 /nfs/dbraw/zinc/53/44/85/454534485.db2.gz JQEHLDMXRJMVNO-ZIPFOMIPSA-N -1 0 341.363 3.341 40 30 EGEBRM COc1ccc(CN2C(=O)/C(=N\[O-])c3cccc(Cl)c32)cc1OC ZINC000046084736 1291524176 /nfs/dbraw/zinc/52/41/76/1291524176.db2.gz QLAXRIUYLGZEIY-CYVLTUHYSA-N -1 0 346.770 3.082 40 30 EGEBRM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(OC(F)F)c1 ZINC000100844394 219108445 /nfs/dbraw/zinc/10/84/45/219108445.db2.gz AHHAPOWCPJYCSE-QNGOZBTKSA-N -1 0 344.321 3.479 40 30 EGEBRM C=CCSc1nnc([N-]S(=O)(=O)c2ccc(F)c(C)c2)s1 ZINC000225611067 456098803 /nfs/dbraw/zinc/09/88/03/456098803.db2.gz IUYUEQOUFITHTR-UHFFFAOYSA-N -1 0 345.446 3.065 40 30 EGEBRM Cc1ccc(S(=O)(=O)NN=Cc2sc3ccccc3c2[O-])cc1 ZINC000000227555 452541039 /nfs/dbraw/zinc/54/10/39/452541039.db2.gz OPGUMVZQQFUIGK-LICLKQGHSA-N -1 0 346.433 3.228 40 30 EGEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC2(Cl)Cl)cc1Cl ZINC000080298545 454563491 /nfs/dbraw/zinc/56/34/91/454563491.db2.gz CDZNHOUDMRNTPL-MRVPVSSYSA-N -1 0 342.631 3.487 40 30 EGEBRM CCCCCCCCCCCNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2 ZINC000225632455 456099946 /nfs/dbraw/zinc/09/99/46/456099946.db2.gz ZTMVRTJMXOQSMD-HZMVEIRTSA-N -1 0 337.460 3.288 40 30 EGEBRM COC(=O)c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000408962014 457590206 /nfs/dbraw/zinc/59/02/06/457590206.db2.gz FMTGZNJMUCCYBA-CAOOACKPSA-N -1 0 334.715 3.491 40 30 EGEBRM O=[N+]([O-])c1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1[O-] ZINC000409042048 457592604 /nfs/dbraw/zinc/59/26/04/457592604.db2.gz XFDGZWRNTLJZDM-LMXLVEHLSA-N -1 0 349.162 3.014 40 30 EGEBRM CSc1ccc(NC(=O)N=S(=O)([O-])c2ccc(C)cc2)cc1 ZINC000001738945 546507415 /nfs/dbraw/zinc/50/74/15/546507415.db2.gz JSYZNFRPOXAKFF-UHFFFAOYSA-N -1 0 336.438 3.432 40 30 EGEBRM O=C1N=C(Nc2ccccc2)S/C1=N\c1cc([O-])ccc1[N+](=O)[O-] ZINC000019368519 212023181 /nfs/dbraw/zinc/02/31/81/212023181.db2.gz JSKXOVGUURBDCW-VKAVYKQESA-N -1 0 342.336 3.072 40 30 EGEBRM N#Cc1c2ccccc2sc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000011565657 264023670 /nfs/dbraw/zinc/02/36/70/264023670.db2.gz RBESZDRPKXHRRF-UHFFFAOYSA-N -1 0 348.339 3.272 40 30 EGEBRM C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000002748994 300085760 /nfs/dbraw/zinc/08/57/60/300085760.db2.gz HPOIRISOGRLPBD-DRZSPHRISA-N -1 0 344.436 3.350 40 30 EGEBRM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000001240548 452649160 /nfs/dbraw/zinc/64/91/60/452649160.db2.gz XRPNKWQGSGJMPO-WQRHYEAKSA-N -1 0 338.392 3.276 40 30 EGEBRM C=CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000014400098 453533764 /nfs/dbraw/zinc/53/37/64/453533764.db2.gz HWAABOGHQBKIAG-UHFFFAOYSA-N -1 0 348.380 3.269 40 30 EGEBRM Cc1cscc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000095451905 454214912 /nfs/dbraw/zinc/21/49/12/454214912.db2.gz BUADPEFTIKGYTF-UHFFFAOYSA-N -1 0 331.365 3.169 40 30 EGEBRM COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000059248008 454254065 /nfs/dbraw/zinc/25/40/65/454254065.db2.gz ISHCSRKNHQVXMS-AYPRBGQRSA-N -1 0 341.363 3.384 40 30 EGEBRM CCN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000078445789 454254346 /nfs/dbraw/zinc/25/43/46/454254346.db2.gz MQVNNADESSGCAG-HNNXBMFYSA-N -1 0 347.374 3.410 40 30 EGEBRM CS(=O)(=O)[N-]C(=O)CC(Cc1ccccc1)Cc1ccccc1 ZINC000096460868 454359523 /nfs/dbraw/zinc/35/95/23/454359523.db2.gz RSJSTZOMVPPHMC-UHFFFAOYSA-N -1 0 331.437 3.394 40 30 EGEBRM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CO)[C@H]1CC[C@H]2C(=O)[O-] ZINC000254445744 455855563 /nfs/dbraw/zinc/85/55/63/455855563.db2.gz BLYFONBCAVAHLI-KHKZNYETSA-N -1 0 332.440 3.192 40 30 EGEBRM Cc1ccc(OCCN2C(=O)/C(=N\[O-])c3cccc(Cl)c32)cc1 ZINC000046084729 1291524217 /nfs/dbraw/zinc/52/42/17/1291524217.db2.gz RIKPDBBPQLVGIP-CYVLTUHYSA-N -1 0 330.771 3.252 40 30 EGEBRM N#CC(=C([O-])C(=O)Nc1nccs1)c1c(Cl)cccc1Cl ZINC000005713311 452897563 /nfs/dbraw/zinc/89/75/63/452897563.db2.gz POWFWIZRYXMLTD-ZETCQYMHSA-N -1 0 340.191 3.265 40 30 EGEBRM Cc1ncc(C=CC(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)s1 ZINC000079029110 454357365 /nfs/dbraw/zinc/35/73/65/454357365.db2.gz JNYNLZIDHAOQGW-VOTSOKGWSA-N -1 0 340.401 3.090 40 30 EGEBRM CCCCCCCCCCCNC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000097941853 454448331 /nfs/dbraw/zinc/44/83/31/454448331.db2.gz ZTMVRTJMXOQSMD-TWMKSMIVSA-N -1 0 337.460 3.288 40 30 EGEBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3C)C2=O)c1 ZINC000408536822 457580832 /nfs/dbraw/zinc/58/08/32/457580832.db2.gz SOYMDZDGCQTWDF-INIZCTEOSA-N -1 0 349.390 3.213 40 30 EGEBRM COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000408846955 457588772 /nfs/dbraw/zinc/58/87/72/457588772.db2.gz KTZFPONJWLKGJM-ZGXHQARYSA-N -1 0 327.336 3.076 40 30 EGEBRM COCc1c(C#N)c(=O)[n-]c(C=Cc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000409207301 457596195 /nfs/dbraw/zinc/59/61/95/457596195.db2.gz RMFQOADMIJRVIZ-BQYQJAHWSA-N -1 0 325.324 3.192 40 30 EGEBRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000095407451 526235719 /nfs/dbraw/zinc/23/57/19/526235719.db2.gz XUJRYZOVZREOPJ-LLVKDONJSA-N -1 0 334.397 3.174 40 30 EGEBRM Cc1cccc2c1N(CCOc1ccccc1Cl)C(=O)/C2=N\[O-] ZINC000101101761 219116241 /nfs/dbraw/zinc/11/62/41/219116241.db2.gz UBIAKLULIZXRGQ-CYVLTUHYSA-N -1 0 330.771 3.252 40 30 EGEBRM Cc1ccc(C([O-])=C(C#N)C(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000102763759 219229620 /nfs/dbraw/zinc/22/96/20/219229620.db2.gz LKZDSZBOIUIQFN-LBPRGKRZSA-N -1 0 328.349 3.479 40 30 EGEBRM COc1cc(/C=N\c2ccc(N(C)C)cc2)ccc1O[C@@H](C)C(=O)[O-] ZINC000409013346 257882885 /nfs/dbraw/zinc/88/28/85/257882885.db2.gz NBFYVHGBIRYTDV-RQZLXBNYSA-N -1 0 342.395 3.364 40 30 EGEBRM Cc1nc(SCC(=O)[O-])c(C#N)c(C)c1C=C(O)c1ccccc1 ZINC000000033399 452493311 /nfs/dbraw/zinc/49/33/11/452493311.db2.gz OMKSCEZGTOGLLV-UHFFFAOYSA-N -1 0 340.404 3.172 40 30 EGEBRM C#CCN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000000981391 452638835 /nfs/dbraw/zinc/63/88/35/452638835.db2.gz KTKLYYZHBLRDHP-POHAHGRESA-N -1 0 328.176 3.369 40 30 EGEBRM COc1ccc(C(=O)C=CNc2ccccc2C(=O)[O-])cc1OC ZINC000009886332 453263363 /nfs/dbraw/zinc/26/33/63/453263363.db2.gz JWIRSKTZUHIUTL-MDZDMXLPSA-N -1 0 327.336 3.211 40 30 EGEBRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179612985 455061718 /nfs/dbraw/zinc/06/17/18/455061718.db2.gz MZCIRZVZPYOMMD-INIZCTEOSA-N -1 0 339.370 3.145 40 30 EGEBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)c1 ZINC000408536910 457580745 /nfs/dbraw/zinc/58/07/45/457580745.db2.gz TYWGXBDKDMKALQ-OAHLLOKOSA-N -1 0 349.390 3.213 40 30 EGEBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3C)C2=O)cc1 ZINC000408536866 457581307 /nfs/dbraw/zinc/58/13/07/457581307.db2.gz SWCQJKLYXFLNCQ-MRXNPFEDSA-N -1 0 349.390 3.213 40 30 EGEBRM COc1ccc(C/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000408849699 457588850 /nfs/dbraw/zinc/58/88/50/457588850.db2.gz YBLMKECSQBZFGH-GRSHGNNSSA-N -1 0 333.771 3.431 40 30 EGEBRM COc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)C(=O)[O-] ZINC000409016495 457591299 /nfs/dbraw/zinc/59/12/99/457591299.db2.gz CUMPSRIHCHOQME-IPHDDYSGSA-N -1 0 344.323 3.206 40 30 EGEBRM CC(=Cc1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000096485446 519348720 /nfs/dbraw/zinc/34/87/20/519348720.db2.gz POVILPFCPYVRHL-NTMALXAHSA-N -1 0 340.788 3.218 40 30 EGEBRM CCOc1ccc(CN2c3cccc(C)c3/C(=N/[O-])C2=O)cc1OC ZINC000046085117 1291523620 /nfs/dbraw/zinc/52/36/20/1291523620.db2.gz IIUWPMPUVSCSFW-ZZEZOPTASA-N -1 0 340.379 3.127 40 30 EGEBRM Cc1cccc2c1/C(=N/[O-])C(=O)N2CCOc1ccc(Cl)cc1 ZINC000046085135 1291525416 /nfs/dbraw/zinc/52/54/16/1291525416.db2.gz GYPPCWHZVASRNV-MNDPQUGUSA-N -1 0 330.771 3.252 40 30 EGEBRM C/C(=C\C(=O)c1c([O-])c2ccccc2n(C)c1=O)Nc1ccccc1 ZINC000101153874 219117693 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Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C)sc1Br ZINC000084852182 454012894 /nfs/dbraw/zinc/01/28/94/454012894.db2.gz NNZGEAXYJAQPCL-CAHLUQPWSA-N -1 0 338.248 3.120 40 30 EGEBRM C#CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000043867377 454081564 /nfs/dbraw/zinc/08/15/64/454081564.db2.gz IISRBJULQYVYGV-IBGZPJMESA-N -1 0 349.386 3.392 40 30 in-vitro EGEBRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078612390 454285470 /nfs/dbraw/zinc/28/54/70/454285470.db2.gz JOIDINPVDJZIMV-UHFFFAOYSA-N -1 0 348.811 3.408 40 30 EGEBRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2)cc1Cl ZINC000078612386 454285517 /nfs/dbraw/zinc/28/55/17/454285517.db2.gz FYSSNVCEGKWAJU-UHFFFAOYSA-N -1 0 348.811 3.490 40 30 EGEBRM CCCSCC(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078612368 454286269 /nfs/dbraw/zinc/28/62/69/454286269.db2.gz XNERFINMJUZTSK-UHFFFAOYSA-N -1 0 332.834 3.000 40 30 EGEBRM CC(C)N(/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000408891675 457588886 /nfs/dbraw/zinc/58/88/86/457588886.db2.gz AYBDZOIUMAJUNR-LICLKQGHSA-N -1 0 344.327 3.458 40 30 EGEBRM COCc1nc(C([O-])=C(C#N)C(=O)c2ccc(C)cc2C)cs1 ZINC000102707542 219223245 /nfs/dbraw/zinc/22/32/45/219223245.db2.gz RJGUTEVVALBBNZ-ZDUSSCGKSA-N -1 0 328.393 3.112 40 30 EGEBRM CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000102700085 219223845 /nfs/dbraw/zinc/22/38/45/219223845.db2.gz KCYZNLKZVYCYMH-CYBMUJFWSA-N -1 0 346.745 3.340 40 30 EGEBRM CS(=O)(=O)[N-]C(=O)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000078657708 217096439 /nfs/dbraw/zinc/09/64/39/217096439.db2.gz XMBZOPKHMSNWPZ-CQSZACIVSA-N -1 0 341.335 3.001 40 30 EGEBRM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000078989154 217167174 /nfs/dbraw/zinc/16/71/74/217167174.db2.gz RLZKRBNWYAQFAI-CYBMUJFWSA-N -1 0 333.409 3.424 40 30 EGEBRM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(C)cc(C)c2)cc1 ZINC000000505708 452608141 /nfs/dbraw/zinc/60/81/41/452608141.db2.gz NNMINUXZZMCXKT-UHFFFAOYSA-N -1 0 346.408 3.221 40 30 EGEBRM Cc1cccc(-n2cc(C(=O)c3cc(F)ccc3[O-])cc(C#N)c2=O)c1 ZINC000003250971 452754721 /nfs/dbraw/zinc/75/47/21/452754721.db2.gz MAASVQUXFZXGLT-UHFFFAOYSA-N -1 0 348.333 3.093 40 30 EGEBRM C[C@@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C/c2ccc(N(C)C)cc2)S1 ZINC000005394024 452866644 /nfs/dbraw/zinc/86/66/44/452866644.db2.gz NCBHWBQVDZKAJJ-MUCLKJQQSA-N -1 0 349.477 3.500 40 30 EGEBRM C[C@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C/c2ccc(N(C)C)cc2)S1 ZINC000005394084 452867016 /nfs/dbraw/zinc/86/70/16/452867016.db2.gz NCBHWBQVDZKAJJ-MQVNUFJOSA-N -1 0 349.477 3.500 40 30 EGEBRM N#CCCCOc1cccnc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000069677560 454132499 /nfs/dbraw/zinc/13/24/99/454132499.db2.gz XFILSLFIWJDMSD-GXDHUFHOSA-N -1 0 343.408 3.177 40 30 EGEBRM CCOC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC000059248515 454254679 /nfs/dbraw/zinc/25/46/79/454254679.db2.gz CBYRFKNVLYUZOT-HMHKGCENSA-N -1 0 341.363 3.466 40 30 EGEBRM CC(=NNc1ccccc1)c1ccc(-n2nnc(C(=O)[O-])c2C)cc1 ZINC000096306057 454318681 /nfs/dbraw/zinc/31/86/81/454318681.db2.gz NHBCIXAXTAXYDP-XDHOZWIPSA-N -1 0 335.367 3.110 40 30 EGEBRM CCOc1ncc(C([O-])=C(C#N)c2nc(C)cc(C)n2)cc1Cl ZINC000079029115 454357384 /nfs/dbraw/zinc/35/73/84/454357384.db2.gz MSKSPQBXXZCLQX-GFCCVEGCSA-N -1 0 330.775 3.031 40 30 EGEBRM Cc1ccncc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000096461120 454359330 /nfs/dbraw/zinc/35/93/30/454359330.db2.gz GLGZIFUGIFDDRO-UHFFFAOYSA-N -1 0 341.314 3.081 40 30 EGEBRM O=C(CCc1cscn1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000079101963 454369310 /nfs/dbraw/zinc/36/93/10/454369310.db2.gz PMGVJXMPLYOFGU-UHFFFAOYSA-N -1 0 348.449 3.349 40 30 EGEBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C)cc3C)C2=O)c1 ZINC000408536823 457581223 /nfs/dbraw/zinc/58/12/23/457581223.db2.gz SOYMDZDGCQTWDF-MRXNPFEDSA-N -1 0 349.390 3.213 40 30 EGEBRM Cc1c(C#N)cccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000593955847 460026217 /nfs/dbraw/zinc/02/62/17/460026217.db2.gz DAYVMWDUJKUMFO-KWCYVHTRSA-N -1 0 329.400 3.124 40 30 EGEBRM Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(N)=S)cc2)c1[O-] ZINC000016269536 453598811 /nfs/dbraw/zinc/59/88/11/453598811.db2.gz HLWGMLNASDAVQM-CAOOACKPSA-N -1 0 330.369 3.015 40 30 EGEBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408529175 457580201 /nfs/dbraw/zinc/58/02/01/457580201.db2.gz CIFKCBPNWBTYDV-HNNXBMFYSA-N -1 0 349.390 3.159 40 30 EGEBRM COc1cc(/C=N\c2ccc3c(c2)OCO3)ccc1O[C@H](C)C(=O)[O-] ZINC000409013134 457591174 /nfs/dbraw/zinc/59/11/74/457591174.db2.gz MPKXOXYOOXMHBK-CZPFXKHOSA-N -1 0 343.335 3.026 40 30 EGEBRM CCCCCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000226856714 520037721 /nfs/dbraw/zinc/03/77/21/520037721.db2.gz QVIMMQLCXUWBNX-UHFFFAOYSA-N -1 0 343.445 3.032 40 30 EGEBRM CCCCCCC[C@@H](O)/C=C\[C@H](O)CC[C@H](O)CCCC(=O)[O-] ZINC000038139746 520066374 /nfs/dbraw/zinc/06/63/74/520066374.db2.gz FITAKYVPWCVTII-UKHAXTBBSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM CCCCCCCCCCCNC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000097941854 282652663 /nfs/dbraw/zinc/65/26/63/282652663.db2.gz ZTMVRTJMXOQSMD-QZWWFDLISA-N -1 0 337.460 3.288 40 30 EGEBRM CCOC(=O)c1cccc(/N=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)c1 ZINC000408819986 257888077 /nfs/dbraw/zinc/88/80/77/257888077.db2.gz SIIWAVGKWIPHSF-UAAGNOOKSA-N -1 0 341.363 3.466 40 30 EGEBRM O=C([O-])c1ccccc1NC(=O)CO/N=C/c1ccc(Cl)cc1 ZINC000003147816 452746214 /nfs/dbraw/zinc/74/62/14/452746214.db2.gz ZWJIQVQGYUDYJX-GIJQJNRQSA-N -1 0 332.743 3.027 40 30 EGEBRM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2cccs2)s1 ZINC000083150645 453940552 /nfs/dbraw/zinc/94/05/52/453940552.db2.gz LIAWZWKBLFFNJG-MRVPVSSYSA-N -1 0 344.483 3.345 40 30 EGEBRM CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000096442097 454350550 /nfs/dbraw/zinc/35/05/50/454350550.db2.gz WHBSLVNZGRXAHZ-JQWIXIFHSA-N -1 0 331.384 3.401 40 30 EGEBRM C[C@@H](C(=O)[N-]S(=O)(=O)Cc1noc2ccccc21)c1ccccc1 ZINC000097097952 454406235 /nfs/dbraw/zinc/40/62/35/454406235.db2.gz NQASASQLTJQSMD-GFCCVEGCSA-N -1 0 344.392 3.418 40 30 EGEBRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000144683229 454849278 /nfs/dbraw/zinc/84/92/78/454849278.db2.gz YNIDSVRWHZSETJ-UHFFFAOYSA-N -1 0 336.800 3.215 40 30 EGEBRM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@H]2C(=O)[O-] ZINC000254445746 455855846 /nfs/dbraw/zinc/85/58/46/455855846.db2.gz BLYFONBCAVAHLI-MJKUBCPDSA-N -1 0 332.440 3.192 40 30 EGEBRM O=C([O-])Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000409142705 457594318 /nfs/dbraw/zinc/59/43/18/457594318.db2.gz LJVIMWUJTASLSJ-UHFFFAOYSA-N -1 0 331.327 3.189 40 30 EGEBRM COc1cccc(/C=N\c2ccc(N(C)C)cc2)c1O[C@H](C)C(=O)[O-] ZINC000409232244 457597623 /nfs/dbraw/zinc/59/76/23/457597623.db2.gz PLHNKWHYGNIURL-UAAGNOOKSA-N -1 0 342.395 3.364 40 30 EGEBRM CC(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000096442095 518670723 /nfs/dbraw/zinc/67/07/23/518670723.db2.gz WHBSLVNZGRXAHZ-PWSUYJOCSA-N -1 0 331.384 3.401 40 30 EGEBRM CCCCCCCC[C@H](O)[C@@H](O)/C=C\[C@@H](O)CCCCC(=O)[O-] ZINC000229766139 282653007 /nfs/dbraw/zinc/65/30/07/282653007.db2.gz KFPLVZLISLBBSJ-KUAUVFJNSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM CCc1c(C)sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c1C#N ZINC000035898130 213052158 /nfs/dbraw/zinc/05/21/58/213052158.db2.gz MUAPAZVQVRZWTE-PKIAMQTDSA-N -1 0 344.436 3.342 40 30 EGEBRM Cc1ncc(C=CC(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)s1 ZINC000079029112 217177844 /nfs/dbraw/zinc/17/78/44/217177844.db2.gz LPILEDRRVKDLKQ-GORDUTHDSA-N -1 0 344.364 3.088 40 30 EGEBRM Cc1ccc(C)c(NC(=S)N/N=C/c2ccc(C(=O)[O-])cc2)c1 ZINC000006331382 301548471 /nfs/dbraw/zinc/54/84/71/301548471.db2.gz HZUMSFLKLNXCLS-VCHYOVAHSA-N -1 0 327.409 3.322 40 30 EGEBRM COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(=O)[n-]2)cc1 ZINC000005634369 452889135 /nfs/dbraw/zinc/88/91/35/452889135.db2.gz SCNLBUCZGJYXFK-UHFFFAOYSA-N -1 0 346.342 3.318 40 30 EGEBRM Cc1ccc(-c2csc([N-]N=C3C(=O)Nc4ccccc43)n2)cc1 ZINC000006300936 452933341 /nfs/dbraw/zinc/93/33/41/452933341.db2.gz IFQSGBUFPMRAER-UHFFFAOYSA-N -1 0 334.404 3.309 40 30 EGEBRM O=C([O-])c1ccc(NN=C2C(=O)Nc3c2cccc3C(F)(F)F)cc1 ZINC000017643604 453636399 /nfs/dbraw/zinc/63/63/99/453636399.db2.gz UMGHJJGGBYJCFJ-UHFFFAOYSA-N -1 0 349.268 3.172 40 30 EGEBRM CCc1c(C)sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c1C#N ZINC000035898129 453925141 /nfs/dbraw/zinc/92/51/41/453925141.db2.gz MUAPAZVQVRZWTE-BVIHXZOGSA-N -1 0 344.436 3.342 40 30 EGEBRM COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000408846952 457588529 /nfs/dbraw/zinc/58/85/29/457588529.db2.gz KTZFPONJWLKGJM-MKFNJMOCSA-N -1 0 327.336 3.076 40 30 EGEBRM CCOc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000409053389 457592381 /nfs/dbraw/zinc/59/23/81/457592381.db2.gz CFZRECOZCMXUCX-ZDLGFXPLSA-N -1 0 344.323 3.208 40 30 EGEBRM O=C([O-])CCCCC(N=Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000033549240 527575985 /nfs/dbraw/zinc/57/59/85/527575985.db2.gz ULGBXRZMAHARRA-XMHGGMMESA-N -1 0 342.355 3.451 40 30 EGEBRM Cc1cccc(OCCN2C(=O)/C(=N\[O-])c3cccc(Cl)c32)c1 ZINC000046084730 1291523663 /nfs/dbraw/zinc/52/36/63/1291523663.db2.gz ODJXGVHURYIWQR-CYVLTUHYSA-N -1 0 330.771 3.252 40 30 EGEBRM O=C([O-])ON1C(=O)C[C@@H](CC2c3ccccc3-c3ccccc32)C1=O ZINC000100436662 304092339 /nfs/dbraw/zinc/09/23/39/304092339.db2.gz XRKZNPPUHJQFFE-LLVKDONJSA-N -1 0 337.331 3.174 40 30 EGEBRM C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccnc2)CCCc2ccccc21 ZINC000078979036 217163098 /nfs/dbraw/zinc/16/30/98/217163098.db2.gz RNASDMMIPZEINN-QGZVFWFLSA-N -1 0 330.409 3.021 40 30 EGEBRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cnc(-c2ccccn2)s1 ZINC000390835234 324284478 /nfs/dbraw/zinc/28/44/78/324284478.db2.gz HGHZSTMPOKEBPF-FNORWQNLSA-N -1 0 334.360 3.340 40 30 EGEBRM O=C([O-])c1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409047753 457592447 /nfs/dbraw/zinc/59/24/47/457592447.db2.gz MZIUKSCHRFJQAB-PTXOJBNSSA-N -1 0 332.175 3.099 40 30 EGEBRM Cc1ccc(S(=O)([O-])=NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000002640238 452710219 /nfs/dbraw/zinc/71/02/19/452710219.db2.gz NSLLGKWFCGNVBD-UHFFFAOYSA-N -1 0 338.816 3.041 40 30 EGEBRM COc1cccc(C=C2SC(=N)C(c3nccs3)=C2[O-])c1O ZINC000033613340 453915836 /nfs/dbraw/zinc/91/58/36/453915836.db2.gz MFIKZNOATLLBEJ-KNRFFUPDSA-N -1 0 332.406 3.275 40 30 EGEBRM CCc1nnc(C2=C([O-])C(=Cc3ccccc3O)SC2=N)s1 ZINC000033634926 453916223 /nfs/dbraw/zinc/91/62/23/453916223.db2.gz YGZWDHLKBABPTM-RKMYABCYSA-N -1 0 331.422 3.224 40 30 EGEBRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21)n1cccc1 ZINC000096409064 454327385 /nfs/dbraw/zinc/32/73/85/454327385.db2.gz CIUMRNRLODWDER-ZDUSSCGKSA-N -1 0 343.408 3.333 40 30 EGEBRM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000253617005 455855422 /nfs/dbraw/zinc/85/54/22/455855422.db2.gz SRMPMANHNPCVIC-UHFFFAOYSA-N -1 0 338.392 3.123 40 30 EGEBRM N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000408976240 457590883 /nfs/dbraw/zinc/59/08/83/457590883.db2.gz ACAWDXPBZINVII-UHFFFAOYSA-N -1 0 332.319 3.314 40 30 EGEBRM C=CCN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000409064684 457592692 /nfs/dbraw/zinc/59/26/92/457592692.db2.gz FGFMOODLDVUJOV-BJMVGYQFSA-N -1 0 340.744 3.176 40 30 EGEBRM COc1ccc(S(=O)(=O)[N-]C(=O)C=C(C)C)cc1Br ZINC000066741705 215074336 /nfs/dbraw/zinc/07/43/36/215074336.db2.gz CMHRXKTUWUQXSU-UHFFFAOYSA-N -1 0 348.218 3.069 40 30 EGEBRM CCc1ocnc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000095399980 218333556 /nfs/dbraw/zinc/33/35/56/218333556.db2.gz JVLCTUFCFHDHHZ-UHFFFAOYSA-N -1 0 349.195 3.237 40 30 EGEBRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Cl)s2)n1 ZINC000006610287 258052431 /nfs/dbraw/zinc/05/24/31/258052431.db2.gz LSISCNRDIXJTLM-QMMMGPOBSA-N -1 0 340.813 3.200 40 30 EGEBRM C/C(=N\c1ccccc1S(=O)(=O)[O-])c1cc2ccccc2oc1=O ZINC000005382300 277732141 /nfs/dbraw/zinc/73/21/41/277732141.db2.gz CUPVNADPAIJAFV-WOJGMQOQSA-N -1 0 343.360 3.180 40 30 EGEBRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C)sc1Br ZINC000084852183 454013085 /nfs/dbraw/zinc/01/30/85/454013085.db2.gz NNZGEAXYJAQPCL-FSPLSTOPSA-N -1 0 338.248 3.120 40 30 EGEBRM Cc1nc(CCCC(=O)[N-]S(=O)(=O)c2cccc(C)c2)cs1 ZINC000096456362 454358687 /nfs/dbraw/zinc/35/86/87/454358687.db2.gz KSKNYNPAQIGVCW-UHFFFAOYSA-N -1 0 338.454 3.428 40 30 EGEBRM CC(C)C[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccnn1C1CCCC1 ZINC000096478862 454364375 /nfs/dbraw/zinc/36/43/75/454364375.db2.gz MEZCUTKIARFYGA-GFCCVEGCSA-N -1 0 327.450 3.067 40 30 EGEBRM CC(C)n1cnc2cc(C(=O)[N-]S(=O)(=O)C3CCCC3)ccc21 ZINC000096494980 454370886 /nfs/dbraw/zinc/37/08/86/454370886.db2.gz VILFOVJRWMCCEZ-UHFFFAOYSA-N -1 0 335.429 3.194 40 30 EGEBRM N=C1SC(=Cc2ccc3c(c2)OCO3)C([O-])=C1c1nccs1 ZINC000135811726 454703793 /nfs/dbraw/zinc/70/37/93/454703793.db2.gz AGKNFJBRKKSKCB-WGXGNSBCSA-N -1 0 330.390 3.290 40 30 EGEBRM Cc1cccc(F)c1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000252484598 455810120 /nfs/dbraw/zinc/81/01/20/455810120.db2.gz GABPNCZWUWVPKJ-UHFFFAOYSA-N -1 0 348.403 3.118 40 30 EGEBRM CCCCCCCCOC(=O)[C@H](N)Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000033358469 520039148 /nfs/dbraw/zinc/03/91/48/520039148.db2.gz ZIEJDWACCIGWMP-CQSZACIVSA-N -1 0 338.404 3.074 40 30 biogenic EGEBRM COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000006433269 523402835 /nfs/dbraw/zinc/40/28/35/523402835.db2.gz DPDZAVVTEJJCCY-WEVVVXLNSA-N -1 0 342.347 3.063 40 30 EGEBRM CCCCCCCC[C@H](O)[C@H](O)/C=C\[C@@H](O)CCCCC(=O)[O-] ZINC000229766155 534986021 /nfs/dbraw/zinc/98/60/21/534986021.db2.gz KFPLVZLISLBBSJ-QJHLUKSHSA-N -1 0 330.465 3.021 40 30 biogenic,in-vitro EGEBRM CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3n[nH]cc3c2)c1[O-] ZINC000004638373 210235890 /nfs/dbraw/zinc/23/58/90/210235890.db2.gz ZNAKRVOKGDXMPY-CAOOACKPSA-N -1 0 326.312 3.326 40 30 EGEBRM CCCCCCCCCCCNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2 ZINC000225632488 520015206 /nfs/dbraw/zinc/01/52/06/520015206.db2.gz ZTMVRTJMXOQSMD-YVSFHVDLSA-N -1 0 337.460 3.288 40 30 EGEBRM CCO[C@H]1Oc2ccccc2C(=O)C1=CNc1ccc(C(=O)[O-])cc1 ZINC000019144713 212002277 /nfs/dbraw/zinc/00/22/77/212002277.db2.gz YBJQSGSYCDFEEH-HVEPWOEZSA-N -1 0 339.347 3.319 40 30 EGEBRM COC(=O)c1ccc(Cl)c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000408904448 257886384 /nfs/dbraw/zinc/88/63/84/257886384.db2.gz JPAHCDUFDRCAPM-CAOOACKPSA-N -1 0 334.715 3.491 40 30 EGEBRM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)C(C)(C)c2cccs2)s1 ZINC000083150800 453940302 /nfs/dbraw/zinc/94/03/02/453940302.db2.gz ASXNOBXPJZVQNM-UHFFFAOYSA-N -1 0 344.483 3.444 40 30 EGEBRM Cc1cc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c(F)cc1F ZINC000096487603 454367577 /nfs/dbraw/zinc/36/75/77/454367577.db2.gz GLUGZUSTNOTNLL-UHFFFAOYSA-N -1 0 345.289 3.250 40 30 EGEBRM Cc1cc(=O)[n-]c(SCc2cc3c(cc2Cl)OCO3)c1C#N ZINC000005640882 452892415 /nfs/dbraw/zinc/89/24/15/452892415.db2.gz MJTJRBCVDHGSCY-UHFFFAOYSA-N -1 0 334.784 3.229 40 30 EGEBRM CS[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000078612395 454286136 /nfs/dbraw/zinc/28/61/36/454286136.db2.gz CRPOGJQQDRJFNZ-LURJTMIESA-N -1 0 345.339 3.241 40 30 EGEBRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2ccco2)cc1N(C)C ZINC000096475772 454362527 /nfs/dbraw/zinc/36/25/27/454362527.db2.gz AZEMSEPEEOSNRW-KGLIPLIRSA-N -1 0 348.424 3.103 40 30 EGEBRM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nc2ccccc2s1 ZINC000390833793 457446096 /nfs/dbraw/zinc/44/60/96/457446096.db2.gz NEJFAOPUEXTXQU-GFCCVEGCSA-N -1 0 345.387 3.367 40 30 EGEBRM COc1ccc(/N=C\c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1 ZINC000409221649 457596022 /nfs/dbraw/zinc/59/60/22/457596022.db2.gz UGUDVMSOWPELQL-ZDFPAGSVSA-N -1 0 329.352 3.306 40 30 EGEBRM COCOc1ccc(/C=C/C(=O)c2c([O-])cc(OC)cc2OC)cc1 ZINC000148553774 1293884118 /nfs/dbraw/zinc/88/41/18/1293884118.db2.gz KCJFDDQHNVOPBL-RMKNXTFCSA-N -1 0 344.363 3.288 40 30 EGEBRM CCn1c(=O)c(/C=N/c2cccc([N+](=O)[O-])c2)c([O-])c2ccccc21 ZINC000103506716 219309786 /nfs/dbraw/zinc/30/97/86/219309786.db2.gz KUJNOCXZFBQABC-YBFXNURJSA-N -1 0 337.335 3.386 40 30 EGEBRM CC1C2=C(CC(C)(C)CC2=O)N(CC(=O)[O-])C2=C1C(=O)CC(C)(C)C2 ZINC000005416686 452868522 /nfs/dbraw/zinc/86/85/22/452868522.db2.gz ILLUFHPNYFTWKD-UHFFFAOYSA-N -1 0 345.439 3.309 40 30 EGEBRM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2O)c1 ZINC000006055697 452917484 /nfs/dbraw/zinc/91/74/84/452917484.db2.gz SJHXZSGHGZHYNR-RQZCQDPDSA-N -1 0 326.381 3.210 40 30 EGEBRM O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1ccc(Cl)cc1 ZINC000016478675 453610088 /nfs/dbraw/zinc/61/00/88/453610088.db2.gz PTVUZSPMAUGIIX-SNGWPZLWSA-N -1 0 329.783 3.322 40 30 EGEBRM COc1cc(/C=N/NCc2ccc(Cl)cc2)cc([N+](=O)[O-])c1[O-] ZINC000037142994 453933998 /nfs/dbraw/zinc/93/39/98/453933998.db2.gz NKWZXIQRKIDVPJ-GIJQJNRQSA-N -1 0 335.747 3.086 40 30 EGEBRM CCCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)cc1 ZINC000096019804 454263864 /nfs/dbraw/zinc/26/38/64/454263864.db2.gz FRQOZSAKKYCJRQ-SSZFMOIBSA-N -1 0 344.411 3.127 40 30 EGEBRM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000223003933 456053051 /nfs/dbraw/zinc/05/30/51/456053051.db2.gz DBZPYFIUORZASR-UHFFFAOYSA-N -1 0 336.800 3.411 40 30 EGEBRM C=CCc1cc(/C=N\c2ccccc2O)cc(OC)c1OCC(=O)[O-] ZINC000408858010 457588804 /nfs/dbraw/zinc/58/88/04/457588804.db2.gz RAYMPNUOHZJJNP-JAIQZWGSSA-N -1 0 341.363 3.343 40 30 EGEBRM COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000408814909 457588900 /nfs/dbraw/zinc/58/89/00/457588900.db2.gz GTAMBJWOIRUONA-IPHDDYSGSA-N -1 0 344.323 3.206 40 30 EGEBRM