smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C\C(=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000083313857 185221851 /nfs/dbraw/zinc/22/18/51/185221851.db2.gz YSNZRQCRIIRDRU-FPLPWBNLSA-N -1 0 318.756 4.025 10 0 DIAERM CC(C)(C)c1ccc(-c2csc(SCC(=O)[O-])n2)cc1 ZINC000071301148 190954833 /nfs/dbraw/zinc/95/48/33/190954833.db2.gz RKPIFHLAYHHXQI-UHFFFAOYSA-N -1 0 307.440 4.284 10 0 DIAERM O=C([O-])CSc1ccnc2cc(C(F)(F)F)c(Cl)cc21 ZINC000072237277 191081007 /nfs/dbraw/zinc/08/10/07/191081007.db2.gz QTRKYDQYOPAHBE-UHFFFAOYSA-N -1 0 321.707 4.084 10 0 DIAERM Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000005592653 181261821 /nfs/dbraw/zinc/26/18/21/181261821.db2.gz KMCJAIARHZAZFQ-UHFFFAOYSA-N -1 0 305.399 4.026 10 0 DIAERM Cc1ccc([C@H](C)OC(=O)[C@]2(C)CC[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000005781683 181283657 /nfs/dbraw/zinc/28/36/57/181283657.db2.gz KRWZVKRKTWCYPR-OHNRDTAOSA-N -1 0 318.413 4.126 10 0 in-man DIAERM Cc1ccccc1OCCCn1cc(C(=O)[O-])c2ccccc21 ZINC000006721557 181376672 /nfs/dbraw/zinc/37/66/72/181376672.db2.gz OCLSYTNWBGYXLL-UHFFFAOYSA-N -1 0 309.365 4.117 10 0 DIAERM Cc1cc(Br)ccc1N(Cc1ccccc1)C(=O)[O-] ZINC000091368733 193047486 /nfs/dbraw/zinc/04/74/86/193047486.db2.gz YJMXLTVAYZBTQK-UHFFFAOYSA-N -1 0 320.186 4.442 10 0 DIAERM O=C([O-])c1ccc2cc(-c3ccc(Br)cc3)[nH]c2c1 ZINC000261509067 203073790 /nfs/dbraw/zinc/07/37/90/203073790.db2.gz ZMWPYMITNZOOFZ-UHFFFAOYSA-N -1 0 316.154 4.296 10 0 DIAERM Cc1c(C(=O)[O-])n(-c2ccc(C(C)(C)C)cc2)nc1C(C)(C)C ZINC000019045275 182103550 /nfs/dbraw/zinc/10/35/50/182103550.db2.gz XNLAUSABBGDLHY-UHFFFAOYSA-N -1 0 314.429 4.474 10 0 DIAERM Cc1c(C(=O)[O-])nn(-c2ccc(C(C)C)cc2)c1C(C)(C)C ZINC000019045135 182104074 /nfs/dbraw/zinc/10/40/74/182104074.db2.gz ASEDJBKRAVOMRS-UHFFFAOYSA-N -1 0 300.402 4.300 10 0 DIAERM CCc1cccc(CC)c1NC(=O)c1cc(Cl)ccc1[O-] ZINC000019990425 182174441 /nfs/dbraw/zinc/17/44/41/182174441.db2.gz OXRZSONDDZVZHB-UHFFFAOYSA-N -1 0 303.789 4.423 10 0 DIAERM O=C([O-])c1nc(-c2cccs2)oc1-c1cc(F)ccc1F ZINC000020008956 182176931 /nfs/dbraw/zinc/17/69/31/182176931.db2.gz UGEMRIOKTQAUQY-UHFFFAOYSA-N -1 0 307.277 4.047 10 0 DIAERM Cc1ccc(Oc2ccccc2C(=O)[O-])c(Br)c1 ZINC000020080816 182185106 /nfs/dbraw/zinc/18/51/06/182185106.db2.gz NDLYFTFVHGMJRN-UHFFFAOYSA-N -1 0 307.143 4.248 10 0 DIAERM O=C([O-])c1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000020080640 182185323 /nfs/dbraw/zinc/18/53/23/182185323.db2.gz OWCHCONPMDNWMG-UHFFFAOYSA-N -1 0 311.106 4.079 10 0 DIAERM CCc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)[O-])cc1 ZINC000020334207 182209138 /nfs/dbraw/zinc/20/91/38/182209138.db2.gz MJOGDBOKTZNLIU-UHFFFAOYSA-N -1 0 317.410 4.270 10 0 DIAERM O=C([O-])c1ccc(Cl)c(NCc2c(F)cccc2Cl)c1 ZINC000020880335 182251621 /nfs/dbraw/zinc/25/16/21/182251621.db2.gz XPMVOKQNCJXODP-UHFFFAOYSA-N -1 0 314.143 4.443 10 0 DIAERM COc1ccc(Nc2ccccc2C(=O)[O-])cc1C(F)(F)F ZINC000028263835 182518506 /nfs/dbraw/zinc/51/85/06/182518506.db2.gz QMCJNISHYHMXMK-UHFFFAOYSA-N -1 0 311.259 4.156 10 0 DIAERM O=C([O-])c1nn(Cc2c(Cl)cccc2Cl)c2ccccc21 ZINC000034893777 182741875 /nfs/dbraw/zinc/74/18/75/182741875.db2.gz FMEUDPQGISYAON-UHFFFAOYSA-N -1 0 321.163 4.090 10 0 DIAERM Nc1cc(C(=O)[O-])ccc1Sc1cc(Cl)ccc1Cl ZINC000037933717 182939173 /nfs/dbraw/zinc/93/91/73/182939173.db2.gz JUQSHDREGJLQEC-UHFFFAOYSA-N -1 0 314.193 4.425 10 0 DIAERM CCc1ccc(C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000041516562 183196719 /nfs/dbraw/zinc/19/67/19/183196719.db2.gz GTGKLBAUHKRVEJ-MRXNPFEDSA-N -1 0 302.801 4.388 10 0 DIAERM Cc1nc(-c2ccccc2)nc(Nc2cccc(C(=O)[O-])c2)c1C ZINC000045947074 183538724 /nfs/dbraw/zinc/53/87/24/183538724.db2.gz JOTSVZMXYNJVSF-UHFFFAOYSA-N -1 0 319.364 4.202 10 0 DIAERM CCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccccc2)n1 ZINC000045947132 183538953 /nfs/dbraw/zinc/53/89/53/183538953.db2.gz BJNNVLJYWKIDFE-UHFFFAOYSA-N -1 0 319.364 4.148 10 0 DIAERM Cc1ccccc1C[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000057741296 184050903 /nfs/dbraw/zinc/05/09/03/184050903.db2.gz PAOVGZKIPQXYOS-OAHLLOKOSA-N -1 0 319.198 4.168 10 0 DIAERM C[C@H](CC(=O)[O-])CC(F)(F)c1ccc(Br)cc1 ZINC000061830816 184188822 /nfs/dbraw/zinc/18/88/22/184188822.db2.gz JVBPFVWSBKBMHS-MRVPVSSYSA-N -1 0 307.134 4.042 10 0 DIAERM Cc1cc(Br)ccc1Oc1ccccc1C(=O)[O-] ZINC000063061851 184268755 /nfs/dbraw/zinc/26/87/55/184268755.db2.gz MDKCXJZPQIDUPG-UHFFFAOYSA-N -1 0 307.143 4.248 10 0 DIAERM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)cnc1Cl ZINC000065348590 184326009 /nfs/dbraw/zinc/32/60/09/184326009.db2.gz NBTQVCBMVVHLQS-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM O=C([O-])c1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1Cl ZINC000065348945 184326211 /nfs/dbraw/zinc/32/62/11/184326211.db2.gz XUAZMIRPTMPJBL-UHFFFAOYSA-N -1 0 319.641 4.258 10 0 DIAERM O=C([O-])c1cccnc1-c1ccc(OCc2ccccc2)cc1 ZINC000065349151 184326410 /nfs/dbraw/zinc/32/64/10/184326410.db2.gz IXXAMZXLLKXIFZ-UHFFFAOYSA-N -1 0 305.333 4.026 10 0 DIAERM O=C([O-])c1c(F)cccc1-c1cccc(C(F)(F)F)c1F ZINC000065354833 184327362 /nfs/dbraw/zinc/32/73/62/184327362.db2.gz GZRIIXNFTVWXNI-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253595880 257105212 /nfs/dbraw/zinc/10/52/12/257105212.db2.gz KAYYIYDHRSEWHR-ZTDBBRPDSA-N -1 0 320.473 4.091 10 0 DIAERM C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253484842 257105648 /nfs/dbraw/zinc/10/56/48/257105648.db2.gz KAYYIYDHRSEWHR-OTSATVMLSA-N -1 0 320.473 4.091 10 0 DIAERM Cc1cccc(N(C)C(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000179520999 333025303 /nfs/dbraw/zinc/02/53/03/333025303.db2.gz BRIHUEOPSVFMHX-UHFFFAOYSA-N -1 0 310.180 4.284 10 0 DIAERM CCc1c(C)sc(NC(=O)c2cc(C)ccc2F)c1C(=O)[O-] ZINC000263416833 337628447 /nfs/dbraw/zinc/62/84/47/337628447.db2.gz HXHSDLJEUMYZHZ-UHFFFAOYSA-N -1 0 321.373 4.017 10 0 DIAERM CCCCn1c2ccccc2nc1Nc1cccc(C(=O)[O-])c1 ZINC000057351686 521375829 /nfs/dbraw/zinc/37/58/29/521375829.db2.gz SDFNOQWZTMKCDP-UHFFFAOYSA-N -1 0 309.369 4.278 10 0 DIAERM CCCCC[C@@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000012496461 563370468 /nfs/dbraw/zinc/37/04/68/563370468.db2.gz CQSLTKIXAJTQGA-RIDHJDLKSA-N -1 0 314.466 4.050 10 0 endogenous,in-man DIAERM CCSC1(c2ccccc2Oc2n[n-]c(Cl)cc2=O)CC1 ZINC000090476164 185298471 /nfs/dbraw/zinc/29/84/71/185298471.db2.gz ASXDOQGULJEGSV-UHFFFAOYSA-N -1 0 322.817 4.370 10 0 DIAERM Cc1nc(Oc2ccc(Cl)cc2)c(C(=O)[O-])c(C)c1Cl ZINC000000034478 180673022 /nfs/dbraw/zinc/67/30/22/180673022.db2.gz PFQLOHDSEHKUPM-UHFFFAOYSA-N -1 0 312.152 4.496 10 0 DIAERM O=C([O-])c1sccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000000080267 180686416 /nfs/dbraw/zinc/68/64/16/180686416.db2.gz VJWFTQXEICHQNG-UHFFFAOYSA-N -1 0 316.165 4.005 10 0 DIAERM CCC(C)(C)c1ccc(OCc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000005592645 181261704 /nfs/dbraw/zinc/26/17/04/181261704.db2.gz KPULPVBXVLBTSS-UHFFFAOYSA-N -1 0 319.426 4.416 10 0 DIAERM O=c1c(-c2csc(-c3ccccc3)n2)coc2cc([O-])ccc21 ZINC000005731535 181278573 /nfs/dbraw/zinc/27/85/73/181278573.db2.gz MNGXFXVIFLIIQG-UHFFFAOYSA-N -1 0 321.357 4.289 10 0 DIAERM Cc1nc(NCc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000008018851 181518808 /nfs/dbraw/zinc/51/88/08/181518808.db2.gz CHDSFQQAETUAFI-UHFFFAOYSA-N -1 0 317.197 4.069 10 0 DIAERM Cc1nc(NCc2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000008018619 181519198 /nfs/dbraw/zinc/51/91/98/181519198.db2.gz SYDJTRARJMGWOE-UHFFFAOYSA-N -1 0 317.197 4.069 10 0 DIAERM Cc1ccc(-c2c(C(=O)[O-])nnn2-c2ccc(C(C)C)cc2)cc1 ZINC000011760267 181704348 /nfs/dbraw/zinc/70/43/48/181704348.db2.gz GUBIHPZFAPWRDX-UHFFFAOYSA-N -1 0 321.380 4.064 10 0 DIAERM O=C([O-])c1cccnc1Oc1ccc(OCc2ccccc2)cc1 ZINC000013090537 181826899 /nfs/dbraw/zinc/82/68/99/181826899.db2.gz TXOZVRYTMNUSKX-UHFFFAOYSA-N -1 0 321.332 4.151 10 0 DIAERM CSc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000013167893 181836087 /nfs/dbraw/zinc/83/60/87/181836087.db2.gz CGKBKYOPQZEZTC-UHFFFAOYSA-N -1 0 321.785 4.012 10 0 DIAERM O=C([O-])c1nc(Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000020012534 182177938 /nfs/dbraw/zinc/17/79/38/182177938.db2.gz KVKGKAYHGVXBMM-UHFFFAOYSA-N -1 0 316.666 4.196 10 0 DIAERM CC(C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C(C)(C)C)C2 ZINC000020335174 182209291 /nfs/dbraw/zinc/20/92/91/182209291.db2.gz SYTAUQKZCJHBGG-JTQLQIEISA-N -1 0 323.458 4.192 10 0 DIAERM CCc1cc(C(=O)[O-])c(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000020333249 182209426 /nfs/dbraw/zinc/20/94/26/182209426.db2.gz HIXKCUKAOBAQNJ-UHFFFAOYSA-N -1 0 324.789 4.306 10 0 DIAERM O=C(Nc1ccc(F)cc1Cl)c1cc(Cl)ccc1[O-] ZINC000020363036 182211894 /nfs/dbraw/zinc/21/18/94/182211894.db2.gz UQLTTXYFGIUAIA-UHFFFAOYSA-N -1 0 300.116 4.090 10 0 DIAERM C[C@H]1CCCc2c(C(=O)[O-])c3cc(Br)ccc3nc21 ZINC000020567125 182233418 /nfs/dbraw/zinc/23/34/18/182233418.db2.gz VOGMLGLUAGHHSX-QMMMGPOBSA-N -1 0 320.186 4.135 10 0 DIAERM Cc1cc(Br)ccc1-n1c(=S)[n-]nc1C(C)C ZINC000020589698 182235574 /nfs/dbraw/zinc/23/55/74/182235574.db2.gz ULHGLIQHRYEQLY-UHFFFAOYSA-N -1 0 312.236 4.124 10 0 DIAERM CC(C)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000021494348 182275305 /nfs/dbraw/zinc/27/53/05/182275305.db2.gz JPBUPUJAPFHKBO-CQSZACIVSA-N -1 0 309.818 4.234 10 0 DIAERM Cc1cc(C)c(C(=O)[O-])c(Sc2nc3ccccc3s2)n1 ZINC000037978175 182949439 /nfs/dbraw/zinc/94/94/39/182949439.db2.gz JRQBVSHUKBTDEK-UHFFFAOYSA-N -1 0 316.407 4.158 10 0 DIAERM CCc1nc(COc2ccc3ccccc3c2)sc1C(=O)[O-] ZINC000040538425 183096341 /nfs/dbraw/zinc/09/63/41/183096341.db2.gz HVQPDGIAVSAHKC-UHFFFAOYSA-N -1 0 313.378 4.136 10 0 DIAERM Cc1ccc(C)c(C[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000041516618 183196985 /nfs/dbraw/zinc/19/69/85/183196985.db2.gz HVVYBFOZOGPVOF-MRXNPFEDSA-N -1 0 302.801 4.443 10 0 DIAERM O=C([O-])[C@H](Cc1ccc(F)cc1)Cc1c(F)cccc1Cl ZINC000041545919 183201775 /nfs/dbraw/zinc/20/17/75/183201775.db2.gz OWYDXUVQOSJGSS-LLVKDONJSA-N -1 0 310.727 4.104 10 0 DIAERM Cc1ccc(SCCCOc2cccc(C(=O)[O-])c2)cc1 ZINC000041582741 183207110 /nfs/dbraw/zinc/20/71/10/183207110.db2.gz XMDDLSYEWFXETA-UHFFFAOYSA-N -1 0 302.395 4.254 10 0 DIAERM O=C([O-])c1cc(Cl)ccc1Sc1ccc(F)c(F)c1 ZINC000042804223 183310732 /nfs/dbraw/zinc/31/07/32/183310732.db2.gz MOARIYVDZOOKNT-UHFFFAOYSA-N -1 0 300.713 4.468 10 0 DIAERM O=C([O-])c1ccc(Oc2cc(C(F)(F)F)cnc2Cl)cc1 ZINC000045949518 183539690 /nfs/dbraw/zinc/53/96/90/183539690.db2.gz QLFVZPXIFHSEAU-UHFFFAOYSA-N -1 0 317.650 4.244 10 0 DIAERM O=C([O-])[C@H](CCc1ccccc1)c1ccc(Br)cc1 ZINC000057668582 184045462 /nfs/dbraw/zinc/04/54/62/184045462.db2.gz RKOCUWHDXLRZCQ-OAHLLOKOSA-N -1 0 319.198 4.250 10 0 DIAERM Cc1ccccc1[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000057735591 184050137 /nfs/dbraw/zinc/05/01/37/184050137.db2.gz BHBBLZDANSTUTR-HNNXBMFYSA-N -1 0 319.198 4.168 10 0 DIAERM CC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000057800018 184052932 /nfs/dbraw/zinc/05/29/32/184052932.db2.gz TZFBMIJPQGGBKD-UHFFFAOYSA-N -1 0 308.381 4.085 10 0 DIAERM CC(C)Cc1nc2cc(Cl)c(Cl)cc2n1CCC(=O)[O-] ZINC000057805057 184054682 /nfs/dbraw/zinc/05/46/82/184054682.db2.gz DFLGNUQOKXEFFD-UHFFFAOYSA-N -1 0 315.200 4.016 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1cccc(Cl)c1Cl ZINC000065348577 184326117 /nfs/dbraw/zinc/32/61/17/184326117.db2.gz IDJNTXYNTPUIQD-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM O=C([O-])c1cc(-c2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC000065350481 184326460 /nfs/dbraw/zinc/32/64/60/184326460.db2.gz FXVWOLNPDPNEAR-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM O=C([O-])c1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000065354804 184327414 /nfs/dbraw/zinc/32/74/14/184327414.db2.gz IJRBZQFYWWSEKH-UHFFFAOYSA-N -1 0 300.207 4.090 10 0 DIAERM O=C([O-])c1cc(F)ccc1-c1cccc(C(F)(F)F)c1F ZINC000065354827 184327473 /nfs/dbraw/zinc/32/74/73/184327473.db2.gz AECXKRRKMFIZHS-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM Nc1cc(C(=O)[O-])cc(-c2ccccc2OCc2ccccc2)c1 ZINC000065355158 184327927 /nfs/dbraw/zinc/32/79/27/184327927.db2.gz ZJGQKWSKMAVVID-UHFFFAOYSA-N -1 0 319.360 4.213 10 0 DIAERM COc1ccc(C(F)(F)F)cc1-c1cccc(C)c1C(=O)[O-] ZINC000065355098 184328028 /nfs/dbraw/zinc/32/80/28/184328028.db2.gz UISNJBHANLQUTG-UHFFFAOYSA-N -1 0 310.271 4.388 10 0 DIAERM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000015441587 257132618 /nfs/dbraw/zinc/13/26/18/257132618.db2.gz JRGMSRAPYSMYNS-VXGBXAGGSA-N -1 0 301.169 4.067 10 0 DIAERM O=C([O-])[C@H](c1ccc(Br)c(Cl)c1)C1CCCC1 ZINC000584595284 337373961 /nfs/dbraw/zinc/37/39/61/337373961.db2.gz IIDWDHMWWFOCTN-LBPRGKRZSA-N -1 0 317.610 4.461 10 0 DIAERM C[C@H](C(=O)[O-])c1cccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000263200054 337625327 /nfs/dbraw/zinc/62/53/27/337625327.db2.gz JTQGHVKPAYEFSD-OWQGQXMQSA-N -1 0 323.392 4.007 10 0 DIAERM O=C([O-])c1cc2occc2n1Cc1ccc(Cl)cc1Cl ZINC000032501239 526358071 /nfs/dbraw/zinc/35/80/71/526358071.db2.gz JDPPPUYOBVMTRD-UHFFFAOYSA-N -1 0 310.136 4.288 10 0 DIAERM O=C([O-])c1sc(Br)cc1[C@@H]1CCC(F)(F)C1 ZINC000675058313 563910285 /nfs/dbraw/zinc/91/02/85/563910285.db2.gz ZWUHOZDLDVIPCQ-RXMQYKEDSA-N -1 0 311.147 4.112 10 0 DIAERM Nc1cc(-c2cc(Cl)ccc2Cl)cc(F)c1C(=O)[O-] ZINC000675051699 568420046 /nfs/dbraw/zinc/42/00/46/568420046.db2.gz ZEDJPFABDPPLEB-UHFFFAOYSA-N -1 0 300.116 4.080 10 0 DIAERM CC(C)n1nc(-c2ccccc2)c(-c2ccccc2)c1C(=O)[O-] ZINC000090411003 185294651 /nfs/dbraw/zinc/29/46/51/185294651.db2.gz FECIGVNTRPFMBU-UHFFFAOYSA-N -1 0 306.365 4.496 10 0 DIAERM Cc1nc(-c2ccc(Nc3nc(C(=O)[O-])cs3)cc2)cs1 ZINC000090412045 185295105 /nfs/dbraw/zinc/29/51/05/185295105.db2.gz BPMOXBSCVWFPKE-UHFFFAOYSA-N -1 0 317.395 4.017 10 0 DIAERM Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2ccc(F)cc2)n1 ZINC000070455735 190895806 /nfs/dbraw/zinc/89/58/06/190895806.db2.gz QKLCLNYMXAIWII-UHFFFAOYSA-N -1 0 323.327 4.033 10 0 DIAERM Cc1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2ccccc2F)n1 ZINC000070455707 190895910 /nfs/dbraw/zinc/89/59/10/190895910.db2.gz AIMPSXIOUNNIFZ-UHFFFAOYSA-N -1 0 323.327 4.033 10 0 DIAERM O=C([O-])Cn1c(-c2ccc(Cl)s2)cc2cc(F)ccc21 ZINC000070463035 190900162 /nfs/dbraw/zinc/90/01/62/190900162.db2.gz IZRKQVPEYGDIOQ-UHFFFAOYSA-N -1 0 309.749 4.247 10 0 DIAERM Cc1nc(COc2ccc(C(C)C)c(C)c2)sc1C(=O)[O-] ZINC000005592638 181261658 /nfs/dbraw/zinc/26/16/58/181261658.db2.gz ZCYFLTZADJRAFI-UHFFFAOYSA-N -1 0 305.399 4.161 10 0 DIAERM CCC(C)(C)c1ccc(OCc2nc(CC(=O)[O-])cs2)cc1 ZINC000005592609 181261756 /nfs/dbraw/zinc/26/17/56/181261756.db2.gz FQUPUVODFFJMEX-UHFFFAOYSA-N -1 0 319.426 4.037 10 0 DIAERM CCCCCOc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000011801958 181706824 /nfs/dbraw/zinc/70/68/24/181706824.db2.gz UVDMTKALVDJVED-VMPITWQZSA-N -1 0 313.191 4.116 10 0 DIAERM Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(Br)c1 ZINC000011822643 181708192 /nfs/dbraw/zinc/70/81/92/181708192.db2.gz YBSXYAYLCDDRSW-UHFFFAOYSA-N -1 0 321.170 4.035 10 0 DIAERM Cc1c(C(=O)[O-])nn(-c2ccc(C(C)(C)C)cc2)c1C(C)(C)C ZINC000019045137 182103661 /nfs/dbraw/zinc/10/36/61/182103661.db2.gz ABCAKWBQARCLQG-UHFFFAOYSA-N -1 0 314.429 4.474 10 0 DIAERM O=C([O-])c1ccc(COc2ccc(Cl)cc2Cl)s1 ZINC000020312320 182205651 /nfs/dbraw/zinc/20/56/51/182205651.db2.gz NCHJBOGOTGFPJL-UHFFFAOYSA-N -1 0 303.166 4.332 10 0 DIAERM O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)s1 ZINC000020312393 182205739 /nfs/dbraw/zinc/20/57/39/182205739.db2.gz KIPVHVDMZSZROG-UHFFFAOYSA-N -1 0 303.166 4.332 10 0 DIAERM CCCC(=O)Nc1sc(C)c(-c2ccc(C)cc2)c1C(=O)[O-] ZINC000020334506 182209276 /nfs/dbraw/zinc/20/92/76/182209276.db2.gz HATFJKXKDUUTSJ-UHFFFAOYSA-N -1 0 317.410 4.469 10 0 DIAERM O=C([O-])/C=C/c1ccccc1Oc1cccc(Br)c1 ZINC000020576888 182235182 /nfs/dbraw/zinc/23/51/82/182235182.db2.gz NWGOOXTVGREPGQ-CMDGGOBGSA-N -1 0 319.154 4.339 10 0 DIAERM C[C@@H](C(=O)[O-])c1ccc2onc(-c3ccc(Cl)cc3)c2c1 ZINC000033826050 182723241 /nfs/dbraw/zinc/72/32/41/182723241.db2.gz BMAYTWLVUDWORX-SECBINFHSA-N -1 0 301.729 4.336 10 0 DIAERM O=C([O-])C(Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000037528762 182904436 /nfs/dbraw/zinc/90/44/36/182904436.db2.gz IJBKGOUEJGFVRA-UHFFFAOYSA-N -1 0 309.192 4.479 10 0 DIAERM O=C([O-])c1ccccc1SCc1nc2ccccc2s1 ZINC000037977382 182948939 /nfs/dbraw/zinc/94/89/39/182948939.db2.gz KIJBSUIXVGZEBI-UHFFFAOYSA-N -1 0 301.392 4.287 10 0 DIAERM CC(=O)c1ccc(C(F)(F)F)cc1Nc1ccccc1C(=O)[O-] ZINC000039123570 183014322 /nfs/dbraw/zinc/01/43/22/183014322.db2.gz AJQATKUWXVOSRF-UHFFFAOYSA-N -1 0 323.270 4.350 10 0 DIAERM O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c21)CCCC3 ZINC000039795248 183022497 /nfs/dbraw/zinc/02/24/97/183022497.db2.gz VDOXYKGIKBUISK-UHFFFAOYSA-N -1 0 305.377 4.267 10 0 in-vivo DIAERM Cc1ccc(C[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])cc1 ZINC000041537510 183199596 /nfs/dbraw/zinc/19/95/96/183199596.db2.gz JQJKEHCGCAUWIH-CYBMUJFWSA-N -1 0 306.764 4.274 10 0 DIAERM Cc1oc(-c2ccc(C(=O)[O-])cc2)nc1COc1cccc(C)c1 ZINC000049454287 183732331 /nfs/dbraw/zinc/73/23/31/183732331.db2.gz IGMLZWDMGAVOJZ-UHFFFAOYSA-N -1 0 323.348 4.236 10 0 DIAERM Cc1ccc([C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000057989773 184065702 /nfs/dbraw/zinc/06/57/02/184065702.db2.gz AQZXHFBCTUJBFY-OAHLLOKOSA-N -1 0 319.198 4.168 10 0 DIAERM O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)cnc1Cl ZINC000065348561 184326135 /nfs/dbraw/zinc/32/61/35/184326135.db2.gz SPUGYOIPSCAMSX-UHFFFAOYSA-N -1 0 301.651 4.119 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000065348946 184326325 /nfs/dbraw/zinc/32/63/25/184326325.db2.gz QMKVGLCNRFTNLB-UHFFFAOYSA-N -1 0 319.641 4.258 10 0 DIAERM O=C([O-])c1ccncc1-c1ccccc1OCc1ccccc1 ZINC000065349118 184326378 /nfs/dbraw/zinc/32/63/78/184326378.db2.gz VEBSPEYOYYLKSD-UHFFFAOYSA-N -1 0 305.333 4.026 10 0 DIAERM CCOc1ccc(-c2ccc(C(=O)[O-])cc2OC)c(Cl)c1 ZINC000065354709 184327018 /nfs/dbraw/zinc/32/70/18/184327018.db2.gz XLFMVRXHFVPOBK-UHFFFAOYSA-N -1 0 306.745 4.113 10 0 DIAERM O=C([O-])c1c(F)cccc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000065354861 184327417 /nfs/dbraw/zinc/32/74/17/184327417.db2.gz NKFDFFTXKGHCST-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM COc1ccc(C(F)(F)F)cc1-c1cc(F)ccc1C(=O)[O-] ZINC000065355106 184327657 /nfs/dbraw/zinc/32/76/57/184327657.db2.gz MPUYHMXNEGQCDR-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM COc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1C(F)(F)F ZINC000065355140 184327838 /nfs/dbraw/zinc/32/78/38/184327838.db2.gz SSLFABCDBWGHSS-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM O=C([O-])c1cnccc1-c1ccccc1OCc1ccccc1 ZINC000065356128 184328505 /nfs/dbraw/zinc/32/85/05/184328505.db2.gz DYUMLMNWEVKVCO-UHFFFAOYSA-N -1 0 305.333 4.026 10 0 DIAERM O=C([O-])[C@@H]1C[C@H]1N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000584601990 337371020 /nfs/dbraw/zinc/37/10/20/337371020.db2.gz MNKPMASUDRWPBG-ZYHUDNBSSA-N -1 0 317.797 4.416 10 0 DIAERM O=C([O-])[C@H](c1cccc(Cl)c1)[C@]1(O)CCC[C@@H]2CCCC[C@@H]21 ZINC000584620593 337372006 /nfs/dbraw/zinc/37/20/06/337372006.db2.gz LRKOXEUNEVGZCA-RPZXMPESSA-N -1 0 322.832 4.230 10 0 DIAERM CCCSc1cc(C(=O)[O-])cc(N)c1Oc1ccccc1 ZINC000584597939 337374425 /nfs/dbraw/zinc/37/44/25/337374425.db2.gz URIOLDWWRFDCEI-UHFFFAOYSA-N -1 0 303.383 4.261 10 0 DIAERM O=C([O-])[C@H](c1cccc(Cl)c1)[C@]1(O)CC[C@H]2CCCC[C@H]2C1 ZINC000584626109 337375974 /nfs/dbraw/zinc/37/59/74/337375974.db2.gz OUCNMBSELIWJMX-XJOINEQPSA-N -1 0 322.832 4.230 10 0 DIAERM Cc1ccc(/C(=C\c2ccc(Br)cc2)C(=O)[O-])s1 ZINC000584630431 337376756 /nfs/dbraw/zinc/37/67/56/337376756.db2.gz YJSRZLLFMHFAPV-XYOKQWHBSA-N -1 0 323.211 4.444 10 0 DIAERM Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000262550881 337619158 /nfs/dbraw/zinc/61/91/58/337619158.db2.gz SZTCUUQCWBVLOD-IAGOWNOFSA-N -1 0 323.392 4.052 10 0 DIAERM CCc1c(C)sc(NC(=O)[C@@H](C)c2ccsc2)c1C(=O)[O-] ZINC000263406165 337628032 /nfs/dbraw/zinc/62/80/32/337628032.db2.gz GDXRWONBWADPEL-QMMMGPOBSA-N -1 0 323.439 4.121 10 0 DIAERM O=C([O-])c1sc(C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000073635840 526411853 /nfs/dbraw/zinc/41/18/53/526411853.db2.gz RJSATGCTWOMWDN-UHFFFAOYSA-N -1 0 320.263 4.183 10 0 DIAERM O=C([O-])CCCCCCC[C@@H]1O[C@H]1CCCCCCCCO ZINC000015165709 560229019 /nfs/dbraw/zinc/22/90/19/560229019.db2.gz ITTPZDMHCNGAGQ-IRXDYDNUSA-N -1 0 314.466 4.292 10 0 in-vitro DIAERM O=C([O-])Cc1sc(-c2cccs2)nc1-c1ccccc1 ZINC000008719477 563889630 /nfs/dbraw/zinc/88/96/30/563889630.db2.gz BOFQVNNXEDLSGY-UHFFFAOYSA-N -1 0 301.392 4.166 10 0 DIAERM O=C([O-])c1cn(-c2cc(F)cc(F)c2)c2cc(Cl)ccc12 ZINC000090557898 185303270 /nfs/dbraw/zinc/30/32/70/185303270.db2.gz KKRBWHAAOVNVQK-UHFFFAOYSA-N -1 0 307.683 4.260 10 0 DIAERM O=c1[n-]c(C(F)(F)F)nc(-c2ccccc2)c1-c1ccccc1 ZINC000090660653 185308402 /nfs/dbraw/zinc/30/84/02/185308402.db2.gz DONMPVCMYDCTAY-UHFFFAOYSA-N -1 0 316.282 4.123 10 0 DIAERM O=C([O-])c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000003629075 181042843 /nfs/dbraw/zinc/04/28/43/181042843.db2.gz DGRMEXOCSJEPGJ-UHFFFAOYSA-N -1 0 321.163 4.090 10 0 in-vitro DIAERM CC[C@@H](CC(=O)[O-])c1ccc(OCc2ccc(OC)cc2)cc1 ZINC000073220021 191295086 /nfs/dbraw/zinc/29/50/86/191295086.db2.gz IIDPAUOKQGKUBJ-HNNXBMFYSA-N -1 0 314.381 4.243 10 0 DIAERM Cc1nc(CCOc2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000005592763 181261716 /nfs/dbraw/zinc/26/17/16/181261716.db2.gz WXFANWZMTHWYNH-UHFFFAOYSA-N -1 0 319.426 4.069 10 0 DIAERM COc1ccc(OCc2ccc(C(=O)[O-])cc2)c(C(C)(C)C)c1 ZINC000005592317 181261168 /nfs/dbraw/zinc/26/11/68/181261168.db2.gz REEBFOJYHRFPMV-UHFFFAOYSA-N -1 0 314.381 4.270 10 0 DIAERM CCCCCOc1ccc(-c2nc(CC(=O)[O-])cs2)cc1 ZINC000005592341 181261312 /nfs/dbraw/zinc/26/13/12/181261312.db2.gz SKTDVHOCBXHXDL-UHFFFAOYSA-N -1 0 305.399 4.006 10 0 DIAERM Cc1ccc([C@H](C)OC(=O)[C@@]2(C)CC[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000005781685 181283752 /nfs/dbraw/zinc/28/37/52/181283752.db2.gz KRWZVKRKTWCYPR-ZBQZNYHESA-N -1 0 318.413 4.126 10 0 in-man DIAERM Cc1ccc(-c2cn3c(n2)sc2cc(C(=O)[O-])ccc23)cc1 ZINC000006750990 181383107 /nfs/dbraw/zinc/38/31/07/181383107.db2.gz JTERUOZUNDKGEV-UHFFFAOYSA-N -1 0 308.362 4.223 10 0 DIAERM Cc1ccc(-c2cc(NC(=O)C(C)C)cc(C(=O)[O-])c2)c(F)c1 ZINC000091252350 193027233 /nfs/dbraw/zinc/02/72/33/193027233.db2.gz GFCULVPBOOVLHS-UHFFFAOYSA-N -1 0 315.344 4.094 10 0 DIAERM O=C([O-])C[C@@H]1CCCN1c1ccc(Oc2ccccc2)c(F)c1 ZINC000091690846 193091662 /nfs/dbraw/zinc/09/16/62/193091662.db2.gz XWFNQQXVPOWMAX-ZDUSSCGKSA-N -1 0 315.344 4.062 10 0 DIAERM CCc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)sc1C ZINC000013425970 181849449 /nfs/dbraw/zinc/84/94/49/181849449.db2.gz CRBUVIFWSAZEHC-UHFFFAOYSA-N -1 0 323.801 4.223 10 0 DIAERM O=C([O-])[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000019991524 182174909 /nfs/dbraw/zinc/17/49/09/182174909.db2.gz RMGJSEPQYOJNJR-GFCCVEGCSA-N -1 0 313.300 4.018 10 0 DIAERM O=C([O-])c1nc(Nc2ccc(Cl)cc2Cl)ccc1Cl ZINC000020010705 182177587 /nfs/dbraw/zinc/17/75/87/182177587.db2.gz RJULZQQOWBZZSW-UHFFFAOYSA-N -1 0 317.559 4.484 10 0 DIAERM O=C([O-])c1cc(COc2cc(Cl)ccc2Cl)cs1 ZINC000020312553 182205660 /nfs/dbraw/zinc/20/56/60/182205660.db2.gz MZGGJWKAPOYDKB-UHFFFAOYSA-N -1 0 303.166 4.332 10 0 DIAERM CCCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C(C)(C)C)C2 ZINC000020335167 182208904 /nfs/dbraw/zinc/20/89/04/182208904.db2.gz QDOUJDPRNLTPSA-SNVBAGLBSA-N -1 0 323.458 4.336 10 0 DIAERM CCc1ccc(-c2csc(NC(=O)C3CC3)c2C(=O)[O-])cc1 ZINC000020334215 182209243 /nfs/dbraw/zinc/20/92/43/182209243.db2.gz MYVUFAYKHGHJGS-UHFFFAOYSA-N -1 0 315.394 4.024 10 0 DIAERM O=C([O-])c1sccc1NC(=O)c1cc(Cl)ccc1Cl ZINC000020563058 182232031 /nfs/dbraw/zinc/23/20/31/182232031.db2.gz IVZYAOPRELOLBS-UHFFFAOYSA-N -1 0 316.165 4.005 10 0 DIAERM O=C([O-])/C=C/c1ccc(Oc2ccccc2Br)cc1 ZINC000020527256 182227026 /nfs/dbraw/zinc/22/70/26/182227026.db2.gz GMDMRVZTJAZCMS-JXMROGBWSA-N -1 0 319.154 4.339 10 0 DIAERM Cc1ccccc1N(CCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000037595337 182912542 /nfs/dbraw/zinc/91/25/42/182912542.db2.gz FADIXFPLHCLEDG-UHFFFAOYSA-N -1 0 303.789 4.130 10 0 DIAERM O=C([O-])c1ccc(N2Cc3ccccc3Oc3ncccc32)s1 ZINC000049454523 183732186 /nfs/dbraw/zinc/73/21/86/183732186.db2.gz CJQFNSQIBZHSTG-UHFFFAOYSA-N -1 0 324.361 4.285 10 0 DIAERM CCC(CC)c1nc2cc(Cl)c(Cl)cc2n1CC(=O)[O-] ZINC000057804979 184055031 /nfs/dbraw/zinc/05/50/31/184055031.db2.gz YAHKXHIJJADKBG-UHFFFAOYSA-N -1 0 315.200 4.331 10 0 DIAERM O=C([O-])c1cc(-c2cc(Cl)ccc2Cl)cnc1Cl ZINC000065348605 184325981 /nfs/dbraw/zinc/32/59/81/184325981.db2.gz MEZHSNAIUGWADC-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM Nc1cc(C(=O)[O-])cc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065355186 184327840 /nfs/dbraw/zinc/32/78/40/184327840.db2.gz CRLIPOLHAVZDRL-UHFFFAOYSA-N -1 0 319.360 4.213 10 0 DIAERM O=C([O-])c1cc(O)cc(-c2ccccc2OCc2ccccc2)c1 ZINC000065355160 184328001 /nfs/dbraw/zinc/32/80/01/184328001.db2.gz WHUKTHSZJJACDP-UHFFFAOYSA-N -1 0 320.344 4.336 10 0 DIAERM C[C@H](C1CC1)N(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000179414563 333025164 /nfs/dbraw/zinc/02/51/64/333025164.db2.gz VEVLOGZUEFUFLH-MRVPVSSYSA-N -1 0 314.212 4.102 10 0 DIAERM C[C@@H](C1CC1)N(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CC1 ZINC000179414549 333025174 /nfs/dbraw/zinc/02/51/74/333025174.db2.gz VEVLOGZUEFUFLH-QMMMGPOBSA-N -1 0 314.212 4.102 10 0 DIAERM COc1ccc2cc(Cc3cc(OC)ccc3C(=O)[O-])ccc2c1 ZINC000584599024 337370572 /nfs/dbraw/zinc/37/05/72/337370572.db2.gz TXCCSFKRXPAKDV-UHFFFAOYSA-N -1 0 322.360 4.146 10 0 DIAERM O=C([O-])c1ccc(C2CCC2)c([S@@](=O)CC2CC2)c1C1CC1 ZINC000584598890 337370655 /nfs/dbraw/zinc/37/06/55/337370655.db2.gz NBSABCPFROLTMS-QFIPXVFZSA-N -1 0 318.438 4.047 10 0 DIAERM O=C([O-])[C@H](c1cccc(Cl)c1)[C@]1(O)CC[C@H]2CCCC[C@@H]2C1 ZINC000584626106 337375977 /nfs/dbraw/zinc/37/59/77/337375977.db2.gz OUCNMBSELIWJMX-CAGXHZNZSA-N -1 0 322.832 4.230 10 0 DIAERM CN(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CCCCC1 ZINC000106453670 337818928 /nfs/dbraw/zinc/81/89/28/337818928.db2.gz VOLBPXLUYKOOGS-UHFFFAOYSA-N -1 0 302.201 4.104 10 0 DIAERM O=C([O-])CCCCCCC[C@@H]1O[C@@H]1CCCCCCCCO ZINC000015165711 560229013 /nfs/dbraw/zinc/22/90/13/560229013.db2.gz ITTPZDMHCNGAGQ-SJORKVTESA-N -1 0 314.466 4.292 10 0 in-vitro DIAERM CCC[C@@H]1CCc2c(sc(Br)c2C(=O)[O-])C1 ZINC000132737666 563913013 /nfs/dbraw/zinc/91/30/13/563913013.db2.gz COQPPJGYHGNWCJ-SSDOTTSWSA-N -1 0 303.221 4.114 10 0 DIAERM CCc1oc2cc([O-])c(C)cc2c(=O)c1Oc1ccc(F)cc1 ZINC000048533769 563924053 /nfs/dbraw/zinc/92/40/53/563924053.db2.gz TVNSCEVAGLFHGK-UHFFFAOYSA-N -1 0 314.312 4.301 10 0 DIAERM CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000049601330 574414881 /nfs/dbraw/zinc/41/48/81/574414881.db2.gz DYNISIGUMYFVJW-HROONELDSA-N -1 0 318.457 4.177 10 0 endogenous,in-man DIAERM O=c1cc(-c2ccc(Cl)c(Cl)c2)oc2cc([O-])cc(O)c12 ZINC000090711739 185310971 /nfs/dbraw/zinc/31/09/71/185310971.db2.gz NWKCKGDNVREMFQ-UHFFFAOYSA-N -1 0 323.131 4.178 10 0 DIAERM Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccccc2F)n1 ZINC000070455637 190895640 /nfs/dbraw/zinc/89/56/40/190895640.db2.gz FTJHRWINAFTHFO-UHFFFAOYSA-N -1 0 323.327 4.033 10 0 DIAERM CCc1ccc(-c2nc(C(F)(F)F)c(C(=O)[O-])s2)cc1 ZINC000071656301 190997429 /nfs/dbraw/zinc/99/74/29/190997429.db2.gz LFJNPJYNBHPTTH-UHFFFAOYSA-N -1 0 301.289 4.090 10 0 DIAERM Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2ccccc2F)n1 ZINC000073682448 191341065 /nfs/dbraw/zinc/34/10/65/191341065.db2.gz LCRPVKDMYYJFNI-UHFFFAOYSA-N -1 0 324.311 4.082 10 0 DIAERM Cc1nc(CCOc2ccc(C(C)C)c(C)c2)sc1C(=O)[O-] ZINC000005592746 181261677 /nfs/dbraw/zinc/26/16/77/181261677.db2.gz OERKHPNZAHJQSE-UHFFFAOYSA-N -1 0 319.426 4.203 10 0 DIAERM O=C([O-])[C@@H](Sc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000019991521 182174926 /nfs/dbraw/zinc/17/49/26/182174926.db2.gz RMGJSEPQYOJNJR-LBPRGKRZSA-N -1 0 313.300 4.018 10 0 DIAERM Cc1sc2ncnc(Nc3cc(C(=O)[O-])ccc3C)c2c1C ZINC000020326521 182207726 /nfs/dbraw/zinc/20/77/26/182207726.db2.gz GBBCTBLQLFZODL-UHFFFAOYSA-N -1 0 313.382 4.058 10 0 DIAERM CC(C)C(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C(C)(C)C)C2 ZINC000020335177 182208872 /nfs/dbraw/zinc/20/88/72/182208872.db2.gz SYTAUQKZCJHBGG-SNVBAGLBSA-N -1 0 323.458 4.192 10 0 DIAERM Cc1sc(NC(=O)C(C)(C)C)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334380 182209162 /nfs/dbraw/zinc/20/91/62/182209162.db2.gz BDGMHULHGFAIRH-UHFFFAOYSA-N -1 0 317.410 4.406 10 0 DIAERM O=C(Nc1cccc(Cl)c1F)c1cc(Cl)ccc1[O-] ZINC000020363101 182211794 /nfs/dbraw/zinc/21/17/94/182211794.db2.gz XPXKFGUJSSZIKG-UHFFFAOYSA-N -1 0 300.116 4.090 10 0 DIAERM O=C([O-])c1nc(Nc2cc(Cl)ccc2Cl)ccc1Cl ZINC000020544808 182229209 /nfs/dbraw/zinc/22/92/09/182229209.db2.gz MRMVEKLJBDHARO-UHFFFAOYSA-N -1 0 317.559 4.484 10 0 DIAERM Cc1cc(C(=O)[O-])ccc1NCc1ccc(Br)cc1 ZINC000020879917 182251478 /nfs/dbraw/zinc/25/14/78/182251478.db2.gz YWMYXGHFDIFUSL-UHFFFAOYSA-N -1 0 320.186 4.068 10 0 DIAERM Cc1ccc(Oc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000021024073 182261736 /nfs/dbraw/zinc/26/17/36/182261736.db2.gz GMUZKWACEQMQBG-UHFFFAOYSA-N -1 0 307.143 4.248 10 0 DIAERM Cc1ccc(CNc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000039951967 183023792 /nfs/dbraw/zinc/02/37/92/183023792.db2.gz IPJUQIXPBVGUAY-UHFFFAOYSA-N -1 0 320.186 4.068 10 0 DIAERM O=C([O-])c1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1 ZINC000040391204 183060232 /nfs/dbraw/zinc/06/02/32/183060232.db2.gz PUFNVMXNMWPWPR-UHFFFAOYSA-N -1 0 305.377 4.267 10 0 DIAERM Cc1ccc(C)c(C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000041516629 183196469 /nfs/dbraw/zinc/19/64/69/183196469.db2.gz QSEOMHRVVZDVOW-INIZCTEOSA-N -1 0 302.801 4.443 10 0 DIAERM Cc1ccc(C)c(C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000041516627 183196579 /nfs/dbraw/zinc/19/65/79/183196579.db2.gz QSEOMHRVVZDVOW-MRXNPFEDSA-N -1 0 302.801 4.443 10 0 DIAERM Cc1ccc(C)c(C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000041516625 183196787 /nfs/dbraw/zinc/19/67/87/183196787.db2.gz OWXINQCTSIEALS-INIZCTEOSA-N -1 0 302.801 4.443 10 0 DIAERM Cc1ccc(C)c(C[C@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000041516620 183196951 /nfs/dbraw/zinc/19/69/51/183196951.db2.gz HVVYBFOZOGPVOF-INIZCTEOSA-N -1 0 302.801 4.443 10 0 DIAERM CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000041516564 183197002 /nfs/dbraw/zinc/19/70/02/183197002.db2.gz BXCIKSAOIWIXMM-INIZCTEOSA-N -1 0 302.801 4.388 10 0 DIAERM Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(Nc2ccccc2)n1 ZINC000045947786 183538642 /nfs/dbraw/zinc/53/86/42/183538642.db2.gz GXLPARIHNYKJGE-UHFFFAOYSA-N -1 0 321.336 4.019 10 0 DIAERM O=C([O-])[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C(=O)c1ccccc1 ZINC000056961642 184022669 /nfs/dbraw/zinc/02/26/69/184022669.db2.gz HADMFWZJTNZVQK-FGTMMUONSA-N -1 0 308.377 4.154 10 0 DIAERM O=C([O-])c1ccncc1-c1ccc(OCc2ccccc2)cc1 ZINC000065349150 184326556 /nfs/dbraw/zinc/32/65/56/184326556.db2.gz RSIHQEFCYWUARH-UHFFFAOYSA-N -1 0 305.333 4.026 10 0 DIAERM COc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC000065350755 184326706 /nfs/dbraw/zinc/32/67/06/184326706.db2.gz ORBRETCYOUSDQF-UHFFFAOYSA-N -1 0 310.271 4.388 10 0 DIAERM O=C([O-])c1cc(-c2c(F)cc(F)cc2F)cc(C(F)(F)F)c1 ZINC000065351354 184327010 /nfs/dbraw/zinc/32/70/10/184327010.db2.gz XBIHYUDSKWMMBB-UHFFFAOYSA-N -1 0 320.188 4.488 10 0 DIAERM CC(=O)Nc1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000065351451 184327039 /nfs/dbraw/zinc/32/70/39/184327039.db2.gz CJLOSDGLNNWDLP-UHFFFAOYSA-N -1 0 323.270 4.029 10 0 DIAERM O=C([O-])c1ccc(F)cc1-c1cccc(C(F)(F)F)c1F ZINC000065354826 184327327 /nfs/dbraw/zinc/32/73/27/184327327.db2.gz KOMAKNLJUBBQRM-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM O=C([O-])c1c(F)cccc1-c1cccc(OC(F)(F)F)c1 ZINC000065354784 184327343 /nfs/dbraw/zinc/32/73/43/184327343.db2.gz IGSASTSSYBVFKC-UHFFFAOYSA-N -1 0 300.207 4.090 10 0 DIAERM O=C([O-])c1ccc(-c2cccc(C(F)(F)F)c2F)c(F)c1 ZINC000065354829 184327487 /nfs/dbraw/zinc/32/74/87/184327487.db2.gz KYRDTOAPRZIBOV-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM COc1ccc(C(F)(F)F)cc1-c1cc(C(=O)[O-])ccc1F ZINC000065355108 184327940 /nfs/dbraw/zinc/32/79/40/184327940.db2.gz JXMWAZCWNYRWCY-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM O=C([O-])c1ccc(C2CCC2)c([S@](=O)CC2CC2)c1C1CC1 ZINC000584598873 337370560 /nfs/dbraw/zinc/37/05/60/337370560.db2.gz NBSABCPFROLTMS-JOCHJYFZSA-N -1 0 318.438 4.047 10 0 DIAERM CCc1ccc(C(=O)c2cccc3ccccc32)c(C(=O)[O-])c1 ZINC000584599041 337370648 /nfs/dbraw/zinc/37/06/48/337370648.db2.gz UUCZZPURRCGKGY-UHFFFAOYSA-N -1 0 304.345 4.331 10 0 DIAERM Cc1cccc(-c2ccc(CC(C)C)cc2)c1S(=O)(=O)[O-] ZINC000584611496 337372202 /nfs/dbraw/zinc/37/22/02/337372202.db2.gz BCFOWEQSZHKXRW-UHFFFAOYSA-N -1 0 304.411 4.107 10 0 DIAERM O=C([O-])Cc1ccccc1Sc1ccccc1Br ZINC000584594147 337373763 /nfs/dbraw/zinc/37/37/63/337373763.db2.gz VUXPBZSGDGBUGY-UHFFFAOYSA-N -1 0 323.211 4.227 10 0 DIAERM COc1cc2cc(C(=O)[O-])sc2cc1Oc1ccccc1 ZINC000584596751 337374257 /nfs/dbraw/zinc/37/42/57/337374257.db2.gz SDRMFRXVLWJWLW-UHFFFAOYSA-N -1 0 300.335 4.400 10 0 DIAERM CCc1cccc(C(=O)c2cccc3ccccc32)c1C(=O)[O-] ZINC000584597684 337374444 /nfs/dbraw/zinc/37/44/44/337374444.db2.gz XYOXLGPBMMSHDY-UHFFFAOYSA-N -1 0 304.345 4.331 10 0 DIAERM O=C([O-])c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1 ZINC000584630231 337376688 /nfs/dbraw/zinc/37/66/88/337376688.db2.gz QITIZZXEAVLBDJ-UHFFFAOYSA-N -1 0 316.263 4.058 10 0 DIAERM Cc1ccc2c(c1)oc(-c1ccc(O)cc1)c(OC(C)C)c2=O ZINC000584636082 337377592 /nfs/dbraw/zinc/37/75/92/337377592.db2.gz VVQGVUQABJCEOO-UHFFFAOYSA-N -1 0 310.349 4.261 10 0 DIAERM C[C@@H](CCc1ccc2c(c1)CC(=O)c1ccccc1-2)CC(=O)[O-] ZINC000584660762 337378307 /nfs/dbraw/zinc/37/83/07/337378307.db2.gz CKZIYDJZPBEZDZ-ZDUSSCGKSA-N -1 0 308.377 4.136 10 0 DIAERM C[C@@H](CCc1ccc(Sc2ccccc2)cc1)C(=O)C(=O)[O-] ZINC000584661230 337378349 /nfs/dbraw/zinc/37/83/49/337378349.db2.gz OKRZUFMUECQFMT-ZDUSSCGKSA-N -1 0 314.406 4.060 10 0 DIAERM O=C([O-])c1cc2c(s1)-c1cc(Cl)cc(Cl)c1OC2 ZINC000584639482 337379835 /nfs/dbraw/zinc/37/98/35/337379835.db2.gz OGHBPIOFBUEKKQ-UHFFFAOYSA-N -1 0 301.150 4.313 10 0 DIAERM O=C([O-])C1(CC(=O)Nc2ccc(Nc3ccccc3)cc2)CCC1 ZINC000262574736 337619559 /nfs/dbraw/zinc/61/95/59/337619559.db2.gz ZVPHBLWMLYHZGB-UHFFFAOYSA-N -1 0 324.380 4.014 10 0 DIAERM CC(C)=CCc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1O ZINC000000967770 560180099 /nfs/dbraw/zinc/18/00/99/560180099.db2.gz SIXNWJHCSFYZBN-UHFFFAOYSA-N -1 0 322.360 4.380 10 0 in-vitro DIAERM CCCCC[C@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000012496465 563370564 /nfs/dbraw/zinc/37/05/64/563370564.db2.gz CQSLTKIXAJTQGA-BEBBCNLGSA-N -1 0 314.466 4.050 10 0 endogenous,in-man DIAERM Cc1ccc(NC(=O)c2cc(Br)ccc2O)c(C)c1 ZINC000011639320 563650173 /nfs/dbraw/zinc/65/01/73/563650173.db2.gz XNKLDWNHAXUGEZ-UHFFFAOYSA-N -1 0 320.186 4.024 10 0 DIAERM COc1ccc2[nH]c(-c3ccc(C)cc3)c(CCC(=O)[O-])c2c1 ZINC000019725570 563961614 /nfs/dbraw/zinc/96/16/14/563961614.db2.gz HLRGEKKEHWCATH-UHFFFAOYSA-N -1 0 309.365 4.169 10 0 DIAERM O=C([O-])Cc1csc(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000090694282 185310005 /nfs/dbraw/zinc/31/00/05/185310005.db2.gz IVIYGABULKBBQO-UHFFFAOYSA-N -1 0 310.378 4.181 10 0 DIAERM COc1ccc2c(c1)Sc1ccc([C@H](C)C(=O)[O-])cc1N2C ZINC000000000676 180667244 /nfs/dbraw/zinc/66/72/44/180667244.db2.gz VSQMKHNDXWGCDB-JTQLQIEISA-N -1 0 315.394 4.116 10 0 in-man DIAERM CC(C)c1cc(Oc2ccc(C(=O)[O-])cc2)nc(C(C)C)n1 ZINC000073683018 191341164 /nfs/dbraw/zinc/34/11/64/191341164.db2.gz VQSRNNLNPUHEBL-UHFFFAOYSA-N -1 0 300.358 4.214 10 0 DIAERM C[C@@H](C(=O)[O-])n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005138375 181208730 /nfs/dbraw/zinc/20/87/30/181208730.db2.gz JTCRFPAICRRDPL-JTQLQIEISA-N -1 0 300.745 4.002 10 0 DIAERM Cc1cc(C)c(C(=O)[O-])c(SCc2ccc(Cl)cc2)n1 ZINC000013021246 181824082 /nfs/dbraw/zinc/82/40/82/181824082.db2.gz CRIBMLUKWPXSGQ-UHFFFAOYSA-N -1 0 307.802 4.342 10 0 DIAERM O=C([O-])c1ccc(SCc2ccc(Br)cc2)cc1 ZINC000019803097 182151633 /nfs/dbraw/zinc/15/16/33/182151633.db2.gz XOFHSDQDHHXXPC-UHFFFAOYSA-N -1 0 323.211 4.440 10 0 DIAERM CCCc1nc2cc(Br)ccc2c(C(=O)[O-])c1CC ZINC000019803756 182151875 /nfs/dbraw/zinc/15/18/75/182151875.db2.gz RTWVIPOXAWQPPD-UHFFFAOYSA-N -1 0 322.202 4.210 10 0 DIAERM O=C([O-])c1ccc(Nc2cc(Cl)c(Cl)cc2Cl)nc1 ZINC000019979497 182173041 /nfs/dbraw/zinc/17/30/41/182173041.db2.gz DRHMPDFWGBWJAT-UHFFFAOYSA-N -1 0 317.559 4.484 10 0 DIAERM O=C([O-])c1cc(COc2cccc(C(F)(F)F)c2)cs1 ZINC000020312676 182205780 /nfs/dbraw/zinc/20/57/80/182205780.db2.gz AUSFNUXVARYKOO-UHFFFAOYSA-N -1 0 302.273 4.044 10 0 DIAERM O=C([O-])c1cc(COc2c(Cl)cccc2Cl)cs1 ZINC000020312730 182205882 /nfs/dbraw/zinc/20/58/82/182205882.db2.gz FGJPGTCLUPKPIO-UHFFFAOYSA-N -1 0 303.166 4.332 10 0 DIAERM O=C([O-])/C=C/c1ccccc1Oc1ccccc1Br ZINC000020527255 182227070 /nfs/dbraw/zinc/22/70/70/182227070.db2.gz VLKRDWYYUCPMSI-MDZDMXLPSA-N -1 0 319.154 4.339 10 0 DIAERM Cc1ccc(C(=O)[O-])cc1NCc1cccc(Br)c1 ZINC000020880509 182251486 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10 0 DIAERM CC[C@@H](C)Oc1nc(Sc2cc(C)cc(C)c2)cc(=O)[n-]1 ZINC000005884618 181293188 /nfs/dbraw/zinc/29/31/88/181293188.db2.gz HJFNKCVBJDDKLL-GFCCVEGCSA-N -1 0 304.415 4.128 10 0 DIAERM CCC/C(=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1)[N+](=O)[O-] ZINC000006050692 181308640 /nfs/dbraw/zinc/30/86/40/181308640.db2.gz IRHZCQDCMUWUKV-RAXLEYEMSA-N -1 0 301.298 4.063 10 0 in-vivo DIAERM Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C\C(=O)[O-])cc1 ZINC000006711938 181375907 /nfs/dbraw/zinc/37/59/07/181375907.db2.gz NIUCUIMSWMUESV-QXMHVHEDSA-N -1 0 318.376 4.005 10 0 DIAERM C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)[O-])o1 ZINC000011960433 181721279 /nfs/dbraw/zinc/72/12/79/181721279.db2.gz YEMPCPKCCONHQK-SSDOTTSWSA-N -1 0 301.125 4.425 10 0 DIAERM O=C([O-])c1cc(Cl)ccc1NC(=O)CCC1CCCCC1 ZINC000013260181 181840149 /nfs/dbraw/zinc/84/01/49/181840149.db2.gz PNMIPXIISFIXPW-UHFFFAOYSA-N -1 0 309.793 4.337 10 0 DIAERM Cc1ccc(OCCCNc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000015418475 182001209 /nfs/dbraw/zinc/00/12/09/182001209.db2.gz UGHPMRCXLWFGRD-UHFFFAOYSA-N -1 0 319.788 4.228 10 0 DIAERM O=C([O-])c1ccsc1NC(=O)c1cccc(Cl)c1Cl ZINC000019979053 182172933 /nfs/dbraw/zinc/17/29/33/182172933.db2.gz QKRRSDSSERIPHG-UHFFFAOYSA-N -1 0 316.165 4.005 10 0 DIAERM CCc1cccc(CC)c1Nc1ncc(C(=O)[O-])cc1Cl ZINC000019986226 182173659 /nfs/dbraw/zinc/17/36/59/182173659.db2.gz YRCXBZRGYLMRHB-UHFFFAOYSA-N -1 0 304.777 4.302 10 0 DIAERM Cc1ccc(-c2csc(NC(=O)C(C)(C)C)c2C(=O)[O-])cc1 ZINC000020334099 182209015 /nfs/dbraw/zinc/20/90/15/182209015.db2.gz HNLHZLZEXAAMMQ-UHFFFAOYSA-N -1 0 317.410 4.406 10 0 DIAERM CCc1cc(C(=O)[O-])c(NC(=O)CCC2CCCCC2)s1 ZINC000020333310 182209358 /nfs/dbraw/zinc/20/93/58/182209358.db2.gz AHVVJBBCBBOKEV-UHFFFAOYSA-N -1 0 309.431 4.308 10 0 DIAERM Cc1ccc(C(=O)[O-])cc1NCc1ccc(Br)cc1 ZINC000020879915 182251717 /nfs/dbraw/zinc/25/17/17/182251717.db2.gz LULHEMYGFXPYHD-UHFFFAOYSA-N -1 0 320.186 4.068 10 0 DIAERM Cc1nc(SCc2ccc(Cl)cc2)sc1CC(=O)[O-] ZINC000021013574 182260459 /nfs/dbraw/zinc/26/04/59/182260459.db2.gz 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/nfs/dbraw/zinc/94/93/88/182949388.db2.gz XQJWBBHKMQUQAF-UHFFFAOYSA-N -1 0 312.152 4.496 10 0 DIAERM O=C([O-])c1ccc2[nH]c(SCc3ccc(Cl)cc3)nc2c1 ZINC000040166112 183042863 /nfs/dbraw/zinc/04/28/63/183042863.db2.gz UAESSRRNOAJQDE-UHFFFAOYSA-N -1 0 318.785 4.207 10 0 DIAERM Cc1ccc(Cc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1 ZINC000040680243 183117012 /nfs/dbraw/zinc/11/70/12/183117012.db2.gz JHPLYPKOTZBRIL-UHFFFAOYSA-N -1 0 323.417 4.336 10 0 DIAERM Cc1cccc(C[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000041537503 183199774 /nfs/dbraw/zinc/19/97/74/183199774.db2.gz LEGAMYBRQAWRBW-CYBMUJFWSA-N -1 0 306.764 4.274 10 0 DIAERM CC(C)(C)c1cc(C(=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000041564447 183203079 /nfs/dbraw/zinc/20/30/79/183203079.db2.gz STVRMYGMTILOPH-UHFFFAOYSA-N -1 0 313.184 4.175 10 0 DIAERM O=C([O-])c1c2ccc(Cl)c(Cl)c2nc2c1CSCC2 ZINC000042255447 183247517 /nfs/dbraw/zinc/24/75/17/183247517.db2.gz AYZORBKMNQOLNX-UHFFFAOYSA-N -1 0 314.193 4.029 10 0 DIAERM Cc1ccccc1C[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000057741291 184050706 /nfs/dbraw/zinc/05/07/06/184050706.db2.gz PAOVGZKIPQXYOS-HNNXBMFYSA-N -1 0 319.198 4.168 10 0 DIAERM CCc1nc(Cc2ccc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000057902742 184061442 /nfs/dbraw/zinc/06/14/42/184061442.db2.gz DQVZAQBEZJJKGP-UHFFFAOYSA-N -1 0 316.209 4.301 10 0 DIAERM CCc1nc(Cc2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000057902700 184061524 /nfs/dbraw/zinc/06/15/24/184061524.db2.gz CUIBNIULGAYFTO-UHFFFAOYSA-N -1 0 316.209 4.301 10 0 DIAERM Cn1c2ccc(F)cc2c(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000058823722 184129296 /nfs/dbraw/zinc/12/92/96/184129296.db2.gz OQCQQRPNPGRTFQ-UHFFFAOYSA-N -1 0 303.720 4.336 10 0 DIAERM O=C([O-])c1ccccc1SCc1nc(Cl)ccc1Cl ZINC000061630270 184179520 /nfs/dbraw/zinc/17/95/20/184179520.db2.gz POFSOEVVTODYIC-UHFFFAOYSA-N -1 0 314.193 4.379 10 0 DIAERM CC(C)Cc1nc(Cc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000062491297 184239748 /nfs/dbraw/zinc/23/97/48/184239748.db2.gz QBDHWGFGHFMARX-UHFFFAOYSA-N -1 0 309.818 4.284 10 0 DIAERM O=C([O-])c1cc(-c2cc(O)cc(C(F)(F)F)c2)ccc1Cl ZINC000065344382 184326177 /nfs/dbraw/zinc/32/61/77/184326177.db2.gz ZZWJZVZWNWIBHM-UHFFFAOYSA-N -1 0 316.662 4.430 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1ccc(Cl)cc1Cl ZINC000065348591 184326310 /nfs/dbraw/zinc/32/63/10/184326310.db2.gz FLEAXWRUNNWAET-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM CCOc1ccc(-c2cccc(C(=O)[O-])c2OC)c(Cl)c1 ZINC000065354710 184326970 /nfs/dbraw/zinc/32/69/70/184326970.db2.gz FYNWXCDNKHWFAL-UHFFFAOYSA-N -1 0 306.745 4.113 10 0 DIAERM CCOc1ccc(-c2ccc(OC)cc2C(=O)[O-])c(Cl)c1 ZINC000065354711 184327054 /nfs/dbraw/zinc/32/70/54/184327054.db2.gz RPDRGNPEDPPXLS-UHFFFAOYSA-N -1 0 306.745 4.113 10 0 DIAERM COc1ccc(-c2ccc(F)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000065354864 184327351 /nfs/dbraw/zinc/32/73/51/184327351.db2.gz IDIOKVQPMVDFEL-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM [O-]c1cc(Br)ccc1-c1nc(C2CCCCC2)no1 ZINC000104421268 336253795 /nfs/dbraw/zinc/25/37/95/336253795.db2.gz WTNYWQWVESXXMZ-UHFFFAOYSA-N -1 0 323.190 4.252 10 0 DIAERM CP(C)(=O)C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000584611846 337372351 /nfs/dbraw/zinc/37/23/51/337372351.db2.gz NMJIZOVJSSUAKU-INIZCTEOSA-N -1 0 302.310 4.145 10 0 DIAERM CC(C)C(=O)c1ccc(Sc2ccccc2C(=O)[O-])cc1 ZINC000584597276 337374385 /nfs/dbraw/zinc/37/43/85/337374385.db2.gz MAYPMQGGWHSHIF-UHFFFAOYSA-N -1 0 300.379 4.375 10 0 DIAERM CSc1ccc(Oc2cccc(C(=O)[O-])c2Cl)c(N)c1 ZINC000584597889 337374484 /nfs/dbraw/zinc/37/44/84/337374484.db2.gz WHNSRIDTMNDBQC-UHFFFAOYSA-N -1 0 309.774 4.135 10 0 DIAERM O=C([O-])c1cc(C(F)(F)F)nc2ccc(Cl)c(Cl)c21 ZINC000584637449 337379559 /nfs/dbraw/zinc/37/95/59/337379559.db2.gz OWXZAERFNCHHTH-UHFFFAOYSA-N -1 0 310.058 4.259 10 0 DIAERM O=C([O-])c1sc(C(F)(F)F)cc1OCc1ccccc1 ZINC000073635828 526411546 /nfs/dbraw/zinc/41/15/46/526411546.db2.gz GIASKRUONATXGL-UHFFFAOYSA-N -1 0 302.273 4.044 10 0 DIAERM O=C(c1ccccc1)c1c[n-]c2c(Cl)cc(Cl)cc2c1=O ZINC000085346363 526798918 /nfs/dbraw/zinc/79/89/18/526798918.db2.gz SXNJDZXBSGDPCV-UHFFFAOYSA-N -1 0 318.159 4.478 10 0 DIAERM O=C([O-])/C=C\c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000011801227 563358976 /nfs/dbraw/zinc/35/89/76/563358976.db2.gz IQKGJSMNIONIGP-TWGQIWQCSA-N -1 0 306.720 4.156 10 0 DIAERM CC(C)(C)OC(=O)Nc1cnc(C2CCCCC2)c(C(=O)[O-])c1 ZINC000584883236 563421427 /nfs/dbraw/zinc/42/14/27/563421427.db2.gz JMORGCAZUBBVQA-UHFFFAOYSA-N -1 0 320.389 4.175 10 0 DIAERM O=C([O-])c1ccc(-c2ccc(Cl)s2)c(OC(F)F)c1 ZINC000725241579 563524965 /nfs/dbraw/zinc/52/49/65/563524965.db2.gz HZUZLSLSENZLMU-UHFFFAOYSA-N -1 0 304.701 4.368 10 0 DIAERM CC[C@H]1C[C@H](CC(=O)[O-])c2ccccc2N1C(=O)OC(C)(C)C ZINC000725253919 563544024 /nfs/dbraw/zinc/54/40/24/563544024.db2.gz QYAPPQAGUSIIMI-OLZOCXBDSA-N -1 0 319.401 4.169 10 0 DIAERM CC1(C)CCc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O1 ZINC000102455700 563659837 /nfs/dbraw/zinc/65/98/37/563659837.db2.gz XYQGRDVFZGPOQG-UHFFFAOYSA-N -1 0 322.360 4.269 10 0 biogenic DIAERM C[C@H](C(=O)[O-])c1ccc(OCc2ccc(Cl)cc2)c(F)c1 ZINC000048544983 563698907 /nfs/dbraw/zinc/69/89/07/563698907.db2.gz VGVUCUCWXGNMNL-JTQLQIEISA-N -1 0 308.736 4.246 10 0 DIAERM O=C([O-])c1ccc(Oc2cccc(OCc3ccccc3)c2)cn1 ZINC000399218411 563839168 /nfs/dbraw/zinc/83/91/68/563839168.db2.gz XPOBFIACPWZBNB-UHFFFAOYSA-N -1 0 321.332 4.151 10 0 DIAERM CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000049601327 563852469 /nfs/dbraw/zinc/85/24/69/563852469.db2.gz DYNISIGUMYFVJW-OCBLOMHFSA-N -1 0 318.457 4.177 10 0 biogenic DIAERM C[C@@H](C(=O)[O-])c1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000002005449 180905439 /nfs/dbraw/zinc/90/54/39/180905439.db2.gz JGOLVGGDNSGQMM-SECBINFHSA-N -1 0 301.729 4.336 10 0 DIAERM O=C([O-])c1cc(C2CCCC2)nc2ccc(Br)cc21 ZINC000003757015 181045186 /nfs/dbraw/zinc/04/51/86/181045186.db2.gz ZYOPDNUMMIUASC-UHFFFAOYSA-N -1 0 320.186 4.353 10 0 DIAERM CC(C)c1cc(SCC(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000073695780 191343246 /nfs/dbraw/zinc/34/32/46/191343246.db2.gz ZDTVLRHGUJXOSY-UHFFFAOYSA-N -1 0 322.817 4.097 10 0 DIAERM O=C([O-])/C(=C\c1cccc(Br)c1)c1ccccc1 ZINC000005064929 181199888 /nfs/dbraw/zinc/19/98/88/181199888.db2.gz XSFWBWNGLSCXCH-UVTDQMKNSA-N -1 0 303.155 4.074 10 0 DIAERM CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2C[C@@H]1O ZINC000005104582 181203808 /nfs/dbraw/zinc/20/38/08/181203808.db2.gz DYNISIGUMYFVJW-HDHSKVTNSA-N -1 0 318.457 4.177 10 0 endogenous,in-man DIAERM Cc1nc(COc2c(C)cccc2C(C)(C)C)sc1C(=O)[O-] ZINC000005592646 181261737 /nfs/dbraw/zinc/26/17/37/181261737.db2.gz KYBORXDRKDEQRT-UHFFFAOYSA-N -1 0 319.426 4.335 10 0 DIAERM Cc1nc(COc2ccccc2C(C)(C)C)sc1C(=O)[O-] ZINC000005592639 181261790 /nfs/dbraw/zinc/26/17/90/181261790.db2.gz YPPCDEATNPKZLA-UHFFFAOYSA-N -1 0 305.399 4.026 10 0 DIAERM Cc1nc(CCOc2ccccc2C(C)(C)C)sc1C(=O)[O-] ZINC000005592747 181261830 /nfs/dbraw/zinc/26/18/30/181261830.db2.gz FEGXHANWGAADNS-UHFFFAOYSA-N -1 0 319.426 4.069 10 0 DIAERM CCCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000005592394 181261304 /nfs/dbraw/zinc/26/13/04/181261304.db2.gz WCYBJVPARIUKEO-UHFFFAOYSA-N -1 0 305.399 4.386 10 0 DIAERM O=C([O-])c1cc(Cc2cccc(Cl)c2F)cc(F)c1F ZINC000091366213 193047401 /nfs/dbraw/zinc/04/74/01/193047401.db2.gz FQJDHUKHHBUNKD-UHFFFAOYSA-N -1 0 300.663 4.046 10 0 DIAERM Cc1ccc(NCCCOc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000008703112 181574589 /nfs/dbraw/zinc/57/45/89/181574589.db2.gz OQCVQWNMRZARIH-UHFFFAOYSA-N -1 0 319.788 4.228 10 0 DIAERM CCCCCOc1ccc(/C=C/C(=O)[O-])cc1Br ZINC000011962596 181721802 /nfs/dbraw/zinc/72/18/02/181721802.db2.gz XEBMFHJABSNNMR-SOFGYWHQSA-N -1 0 313.191 4.116 10 0 DIAERM CC(C)[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC000019803731 182152026 /nfs/dbraw/zinc/15/20/26/182152026.db2.gz WISZNUVCRUWYRT-AWEZNQCLSA-N -1 0 323.186 4.090 10 0 DIAERM O=C([O-])c1ccc(Oc2cccc(Br)c2)c(F)c1 ZINC000020080752 182185306 /nfs/dbraw/zinc/18/53/06/182185306.db2.gz RTADDBWHPXQHCH-UHFFFAOYSA-N -1 0 311.106 4.079 10 0 DIAERM Cc1c(C(=O)[O-])sc2ncnc(Nc3cccc(Cl)c3)c12 ZINC000020328663 182208370 /nfs/dbraw/zinc/20/83/70/182208370.db2.gz RLQLSZCHMKMMDY-UHFFFAOYSA-N -1 0 319.773 4.095 10 0 DIAERM Cc1cc(C(=O)[O-])c(NC(=O)Nc2ccc(Cl)cc2)s1 ZINC000020333003 182208937 /nfs/dbraw/zinc/20/89/37/182208937.db2.gz ZYIOZSIXKHGJBZ-UHFFFAOYSA-N -1 0 310.762 4.052 10 0 DIAERM Cc1sc(NC(=O)/C=C/c2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000020332857 182209209 /nfs/dbraw/zinc/20/92/09/182209209.db2.gz RFELLWGPZVLHCC-CMDGGOBGSA-N -1 0 315.394 4.023 10 0 DIAERM Cc1sc(NC(=O)C2CC2)c(C(=O)[O-])c1-c1ccc(C)cc1 ZINC000020334522 182209224 /nfs/dbraw/zinc/20/92/24/182209224.db2.gz WBUIMXICYUZEJR-UHFFFAOYSA-N -1 0 315.394 4.079 10 0 DIAERM CCO[C@@H]1CC(C)(C)Oc2ccc3oc(C(=O)[O-])c(C)c3c21 ZINC000097673629 193745632 /nfs/dbraw/zinc/74/56/32/193745632.db2.gz NZAWKHKDZUYYNN-GFCCVEGCSA-N -1 0 304.342 4.078 10 0 DIAERM CCOc1cccc(CNc2cc(C(=O)[O-])ccc2Cl)c1 ZINC000020881185 182251577 /nfs/dbraw/zinc/25/15/77/182251577.db2.gz MLXSOVOJADMKJT-UHFFFAOYSA-N -1 0 305.761 4.049 10 0 DIAERM O=C([O-])[C@@H]1CCC[C@@H](CC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000098090430 193784200 /nfs/dbraw/zinc/78/42/00/193784200.db2.gz JWKYUZAQKFDNFR-ZYHUDNBSSA-N -1 0 314.303 4.169 10 0 DIAERM O=C([O-])c1sccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000040162495 183041749 /nfs/dbraw/zinc/04/17/49/183041749.db2.gz DNGPAWQVTXQQGJ-UHFFFAOYSA-N -1 0 316.165 4.005 10 0 DIAERM CCCn1c(COc2ccc(C)cc2)nc2cc(C(=O)[O-])ccc21 ZINC000040417486 183063688 /nfs/dbraw/zinc/06/36/88/183063688.db2.gz FYCVYNOEDOOXSN-UHFFFAOYSA-N -1 0 324.380 4.032 10 0 DIAERM CCCn1c(COc2ccccc2C)nc2cc(C(=O)[O-])ccc21 ZINC000040417483 183063758 /nfs/dbraw/zinc/06/37/58/183063758.db2.gz KMDRJHAWTIULDK-UHFFFAOYSA-N -1 0 324.380 4.032 10 0 DIAERM CCc1ccc(C[C@@H](Cc2ccccc2Cl)C(=O)[O-])cc1 ZINC000041516557 183196882 /nfs/dbraw/zinc/19/68/82/183196882.db2.gz LLUQXYBGPXWMAN-INIZCTEOSA-N -1 0 302.801 4.388 10 0 DIAERM O=C([O-])[C@H](Cc1ccccc1F)Cc1c(F)cccc1Cl ZINC000041545910 183201765 /nfs/dbraw/zinc/20/17/65/183201765.db2.gz VIOUVTBZSUHHML-LLVKDONJSA-N -1 0 310.727 4.104 10 0 DIAERM O=C([O-])c1ccc(OCCCCOc2ccc(Cl)cc2)cc1 ZINC000041582827 183207121 /nfs/dbraw/zinc/20/71/21/183207121.db2.gz KJJOIPHSNMZMKS-UHFFFAOYSA-N -1 0 320.772 4.276 10 0 DIAERM Cc1nn(-c2cccc(C)c2)c2c1-c1sc(C(=O)[O-])cc1CC2 ZINC000049454717 183732476 /nfs/dbraw/zinc/73/24/76/183732476.db2.gz STCXXKCKCJMCIF-UHFFFAOYSA-N -1 0 324.405 4.014 10 0 DIAERM Cc1ccc(Oc2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000052981149 183883178 /nfs/dbraw/zinc/88/31/78/183883178.db2.gz QPJGMYVJACEZRX-UHFFFAOYSA-N -1 0 307.143 4.248 10 0 DIAERM O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C(=O)c1ccccc1 ZINC000056961644 184022801 /nfs/dbraw/zinc/02/28/01/184022801.db2.gz HADMFWZJTNZVQK-OKZBNKHCSA-N -1 0 308.377 4.154 10 0 DIAERM Cc1ccc([C@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000057735556 184050480 /nfs/dbraw/zinc/05/04/80/184050480.db2.gz FSKFXMURENZEJF-HNNXBMFYSA-N -1 0 319.198 4.168 10 0 DIAERM CCc1nc(Cc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000057902720 184061580 /nfs/dbraw/zinc/06/15/80/184061580.db2.gz MEGKXOPKXKBGOY-UHFFFAOYSA-N -1 0 316.209 4.301 10 0 DIAERM CCOc1ccc(-c2cnc(Cl)cc2C(=O)[O-])c(Cl)c1 ZINC000065348854 184326038 /nfs/dbraw/zinc/32/60/38/184326038.db2.gz VHJHEKANBXTDJM-UHFFFAOYSA-N -1 0 312.152 4.152 10 0 DIAERM CCOC(=O)c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000065354951 184327350 /nfs/dbraw/zinc/32/73/50/184327350.db2.gz JNFFVNFIROJLIO-UHFFFAOYSA-N -1 0 322.719 4.021 10 0 DIAERM COc1ccc(-c2cccc(C(F)(F)F)c2F)c(C(=O)[O-])c1 ZINC000065354836 184327457 /nfs/dbraw/zinc/32/74/57/184327457.db2.gz JQXMXTMOHCYRPU-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM O=C([O-])c1cc(F)cc(-c2cccc(C(F)(F)F)c2F)c1 ZINC000065354832 184327478 /nfs/dbraw/zinc/32/74/78/184327478.db2.gz DVTOWGWTOJBOGS-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM COc1ccc(C(F)(F)F)cc1-c1ccc(F)cc1C(=O)[O-] ZINC000065355107 184327978 /nfs/dbraw/zinc/32/79/78/184327978.db2.gz KRXRJZKTSQPQAZ-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM O=C([O-])c1ccc(-c2ccccc2OCc2ccccc2)c(O)c1 ZINC000065355159 184327980 /nfs/dbraw/zinc/32/79/80/184327980.db2.gz NAWFRCHEBYUPPM-UHFFFAOYSA-N -1 0 320.344 4.336 10 0 DIAERM COc1ccc(C(F)(F)F)cc1-c1cccc(F)c1C(=O)[O-] ZINC000065355113 184328067 /nfs/dbraw/zinc/32/80/67/184328067.db2.gz OWLPWWISTDIMJO-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM O=C([O-])c1cnccc1-c1ccc(OCc2ccccc2)cc1 ZINC000065356136 184328521 /nfs/dbraw/zinc/32/85/21/184328521.db2.gz KNFBCKRZQUIJQR-UHFFFAOYSA-N -1 0 305.333 4.026 10 0 DIAERM CC(C)c1cc(C(=O)[O-])sc1N1CCOc2ccccc21 ZINC000049454546 134755601 /nfs/dbraw/zinc/75/56/01/134755601.db2.gz BBQHOIHYAXPQHO-UHFFFAOYSA-N -1 0 303.383 4.100 10 0 DIAERM CC(C)(Cc1ccc2cc(Br)cnc2c1)OC(=O)[O-] ZINC000584601137 337370844 /nfs/dbraw/zinc/37/08/44/337370844.db2.gz QQPWKICKHZIPGK-UHFFFAOYSA-N -1 0 324.174 4.013 10 0 DIAERM O=C([O-])[C@H](c1cccc(Cl)c1)[C@]1(O)CC[C@@H]2CCCC[C@@H]2C1 ZINC000584626108 337375972 /nfs/dbraw/zinc/37/59/72/337375972.db2.gz OUCNMBSELIWJMX-QUCGAITQSA-N -1 0 322.832 4.230 10 0 DIAERM O=C([O-])c1sc(C(F)(F)F)cc1OCc1cccc(F)c1 ZINC000073635836 526411298 /nfs/dbraw/zinc/41/12/98/526411298.db2.gz KXALSAQWZOIUAL-UHFFFAOYSA-N -1 0 320.263 4.183 10 0 DIAERM O=C([O-])c1sc(Br)cc1[C@H]1CCC(F)(F)C1 ZINC000675058314 563910284 /nfs/dbraw/zinc/91/02/84/563910284.db2.gz ZWUHOZDLDVIPCQ-YFKPBYRVSA-N -1 0 311.147 4.112 10 0 DIAERM CC(C)C[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000675074534 563910846 /nfs/dbraw/zinc/91/08/46/563910846.db2.gz YRKHLSVFQPQSIV-JTQLQIEISA-N -1 0 303.185 4.313 10 0 DIAERM CCC[C@H]1CCc2c(sc(Br)c2C(=O)[O-])C1 ZINC000132737854 563913030 /nfs/dbraw/zinc/91/30/30/563913030.db2.gz COQPPJGYHGNWCJ-ZETCQYMHSA-N -1 0 303.221 4.114 10 0 DIAERM CCCCC/C=C\C[C@H](O)[C@H](O)CCCCCCCC(=O)[O-] ZINC000012496448 571695280 /nfs/dbraw/zinc/69/52/80/571695280.db2.gz XEBKSQSGNGRGDW-SQGUUQMOSA-N -1 0 314.466 4.050 10 0 endogenous,in-man DIAERM CC[C@@H](Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)[O-] ZINC000163527678 197636040 /nfs/dbraw/zinc/63/60/40/197636040.db2.gz HUNJQJLAEOUHPC-CQSZACIVSA-N -1 0 308.418 4.229 10 0 DIAERM O=C([O-])c1cc2ccccc2n1-c1ccc(-n2cccc2)cc1 ZINC000139882136 186024266 /nfs/dbraw/zinc/02/42/66/186024266.db2.gz WEJUTVVVGMHSPP-UHFFFAOYSA-N -1 0 302.333 4.119 10 0 DIAERM Cc1nc(COc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000005592642 181261838 /nfs/dbraw/zinc/26/18/38/181261838.db2.gz XNRLYQRVIZBGBC-UHFFFAOYSA-N -1 0 318.181 4.036 10 0 DIAERM Cc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2N(C)C)c(C)c1 ZINC000011850156 181711036 /nfs/dbraw/zinc/71/10/36/181711036.db2.gz DQZJTXBENYFLAI-UHFFFAOYSA-N -1 0 320.392 4.283 10 0 DIAERM CCc1cc2c(nc(C)nc2Nc2ccc(C(=O)[O-])cc2)s1 ZINC000014904478 181975748 /nfs/dbraw/zinc/97/57/48/181975748.db2.gz SKFMCFPRJBNSGF-UHFFFAOYSA-N -1 0 313.382 4.004 10 0 DIAERM Cc1c(C(C)(C)C)nn(-c2ccc(C(C)C)cc2)c1C(=O)[O-] ZINC000019045272 182103624 /nfs/dbraw/zinc/10/36/24/182103624.db2.gz VMZZGQAOZFRPRU-UHFFFAOYSA-N -1 0 300.402 4.300 10 0 DIAERM Cc1ccc(-c2csc(NC(=O)CC(C)C)c2C(=O)[O-])cc1 ZINC000020334107 182209174 /nfs/dbraw/zinc/20/91/74/182209174.db2.gz ZBOICXGXLXLMSU-UHFFFAOYSA-N -1 0 317.410 4.406 10 0 DIAERM O=C(Nc1ccc(F)cc1Cl)c1ccc([O-])c(Cl)c1 ZINC000020363045 182211683 /nfs/dbraw/zinc/21/16/83/182211683.db2.gz HLTLWCAGOGYVRJ-UHFFFAOYSA-N -1 0 300.116 4.090 10 0 DIAERM O=C([O-])c1nc(Nc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000020544527 182229151 /nfs/dbraw/zinc/22/91/51/182229151.db2.gz NRHMEAKGVZHJES-UHFFFAOYSA-N -1 0 317.559 4.484 10 0 DIAERM CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000041516566 183197000 /nfs/dbraw/zinc/19/70/00/183197000.db2.gz BXCIKSAOIWIXMM-MRXNPFEDSA-N -1 0 302.801 4.388 10 0 DIAERM O=C([O-])[C@H](Cc1cccc(F)c1)Cc1c(F)cccc1Cl ZINC000041545916 183201772 /nfs/dbraw/zinc/20/17/72/183201772.db2.gz HHJMZPNKLNVZQS-LLVKDONJSA-N -1 0 310.727 4.104 10 0 DIAERM Cc1ccc(SCCCOc2ccccc2C(=O)[O-])cc1 ZINC000041582742 183207015 /nfs/dbraw/zinc/20/70/15/183207015.db2.gz RKYAMHPRECEVHW-UHFFFAOYSA-N -1 0 302.395 4.254 10 0 DIAERM O=C([O-])/C=C(\c1ccc(Cl)cc1)C(F)(F)C(F)(F)F ZINC000043463877 183365011 /nfs/dbraw/zinc/36/50/11/183365011.db2.gz SCIFKFVTPHEJOS-VMPITWQZSA-N -1 0 300.610 4.006 10 0 DIAERM O=C([O-])CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000049453307 183731765 /nfs/dbraw/zinc/73/17/65/183731765.db2.gz PRWIYEZJYWBWBI-UHFFFAOYSA-N -1 0 314.772 4.222 10 0 DIAERM COc1ccc(Sc2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000049452796 183731904 /nfs/dbraw/zinc/73/19/04/183731904.db2.gz QGMXRPXQAJJEOT-UHFFFAOYSA-N -1 0 311.362 4.093 10 0 DIAERM Cc1ccccc1-c1cn2c(n1)sc1cc(C(=O)[O-])ccc12 ZINC000049453648 183732112 /nfs/dbraw/zinc/73/21/12/183732112.db2.gz YUZASDWVNLQWGD-UHFFFAOYSA-N -1 0 308.362 4.223 10 0 DIAERM Cc1ccc([C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1 ZINC000057989776 184065733 /nfs/dbraw/zinc/06/57/33/184065733.db2.gz AQZXHFBCTUJBFY-HNNXBMFYSA-N -1 0 319.198 4.168 10 0 DIAERM CCCCC[C@@H](O)CCC[C@@H](CO)CCCCCCC(=O)[O-] ZINC000059902761 184142366 /nfs/dbraw/zinc/14/23/66/184142366.db2.gz GZFYNDXNCWIKMJ-DLBZAZTESA-N -1 0 316.482 4.132 10 0 DIAERM O=C([O-])c1ccc(F)cc1-c1cccc(OC(F)(F)F)c1 ZINC000061703059 184184499 /nfs/dbraw/zinc/18/44/99/184184499.db2.gz BCYPDLMZHICJOZ-UHFFFAOYSA-N -1 0 300.207 4.090 10 0 DIAERM CC(C)(CC(=O)[O-])CC(F)(F)c1ccc(Br)cc1 ZINC000061825629 184188972 /nfs/dbraw/zinc/18/89/72/184188972.db2.gz AECLRKJXJKMJLM-UHFFFAOYSA-N -1 0 321.161 4.432 10 0 DIAERM CC(C)(C)c1nc(Cc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000062490789 184239637 /nfs/dbraw/zinc/23/96/37/184239637.db2.gz HIWAAWVRTLPOMM-UHFFFAOYSA-N -1 0 309.818 4.383 10 0 DIAERM Cc1nc(COc2cc(C)ccc2C(C)C)sc1C(=O)[O-] ZINC000064872488 184305425 /nfs/dbraw/zinc/30/54/25/184305425.db2.gz WGPCUQHONVZZPV-UHFFFAOYSA-N -1 0 305.399 4.161 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1ccc(Cl)c(Cl)c1 ZINC000065348620 184325860 /nfs/dbraw/zinc/32/58/60/184325860.db2.gz BDQSNHDMUUQWPK-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1cccc(C(F)(F)F)c1 ZINC000065348552 184326083 /nfs/dbraw/zinc/32/60/83/184326083.db2.gz TWHFFRNAXKAZJJ-UHFFFAOYSA-N -1 0 301.651 4.119 10 0 DIAERM CC(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000065350509 184326381 /nfs/dbraw/zinc/32/63/81/184326381.db2.gz BXTLEMGWLKYELU-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/04/52/61/181045261.db2.gz RRKUCRIKQVZKTP-UHFFFAOYSA-N -1 0 320.186 4.353 10 0 DIAERM CC[C@H](C(=O)[O-])n1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000005138448 181208975 /nfs/dbraw/zinc/20/89/75/181208975.db2.gz FADPNYDCLRRTPI-CQSZACIVSA-N -1 0 314.772 4.392 10 0 DIAERM CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)[O-] ZINC000005533840 181254324 /nfs/dbraw/zinc/25/43/24/181254324.db2.gz LJFJPDHXAWVDSA-XEZPLFJOSA-N -1 0 304.386 4.002 10 0 DIAERM CCCCOc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1OC ZINC000005592400 181261769 /nfs/dbraw/zinc/26/17/69/181261769.db2.gz JVCCDTNVWMUVLC-UHFFFAOYSA-N -1 0 321.398 4.004 10 0 DIAERM CC(C)=CCc1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc12 ZINC000005854437 181289768 /nfs/dbraw/zinc/28/97/68/181289768.db2.gz WVBTWALEDCJRKA-UHFFFAOYSA-N -1 0 322.360 4.380 10 0 in-vitro DIAERM O=C(Nc1cccc(Cl)c1[O-])c1cccn1C1CCCC1 ZINC000182734898 335002912 /nfs/dbraw/zinc/00/29/12/335002912.db2.gz MFUZOVROULDNPR-UHFFFAOYSA-N -1 0 304.777 4.215 10 0 DIAERM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2cccs2)cc1Cl ZINC000011801518 181706876 /nfs/dbraw/zinc/70/68/76/181706876.db2.gz ZJGJEUPNJKOVSN-UHFFFAOYSA-N -1 0 318.785 4.261 10 0 DIAERM Cc1nc(C2(c3ccccc3)CCCCC2)sc1C(=O)[O-] ZINC000011833120 181709596 /nfs/dbraw/zinc/70/95/96/181709596.db2.gz ACOFNUYSZAIBAV-UHFFFAOYSA-N -1 0 301.411 4.400 10 0 DIAERM O=C([O-])c1cccc(OCCSc2ccc(Cl)cc2)c1 ZINC000011885563 181714316 /nfs/dbraw/zinc/71/43/16/181714316.db2.gz RWUAEWIIPWTHLZ-UHFFFAOYSA-N -1 0 308.786 4.209 10 0 DIAERM CCCOc1ccccc1Oc1ncc(C(=O)[O-])cc1Cl ZINC000019230483 182109278 /nfs/dbraw/zinc/10/92/78/182109278.db2.gz OKMLMIAMJXJQIX-UHFFFAOYSA-N -1 0 307.733 4.014 10 0 DIAERM CCCCC1CCC(C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000019232862 182110329 /nfs/dbraw/zinc/11/03/29/182110329.db2.gz KPKHAOAEGGDHLI-UHFFFAOYSA-N -1 0 309.431 4.381 10 0 DIAERM C[C@H]1CCCc2c(C(=O)[O-])c3c(Br)cccc3nc21 ZINC000019982544 182172983 /nfs/dbraw/zinc/17/29/83/182172983.db2.gz NTGPIUGTYATFRE-QMMMGPOBSA-N -1 0 320.186 4.135 10 0 DIAERM C[C@@H]1CCCc2c(C(=O)[O-])c3c(Br)cccc3nc21 ZINC000019982540 182173159 /nfs/dbraw/zinc/17/31/59/182173159.db2.gz NTGPIUGTYATFRE-MRVPVSSYSA-N -1 0 320.186 4.135 10 0 DIAERM Cc1ccc2[nH]c(-c3ccc(Cl)s3)c(CC(=O)[O-])c2c1 ZINC000020015380 182178364 /nfs/dbraw/zinc/17/83/64/182178364.db2.gz QZYTYCSHICSOFQ-UHFFFAOYSA-N -1 0 305.786 4.485 10 0 DIAERM O=C([O-])c1ccc(CSc2nc3ccccc3s2)s1 ZINC000020395586 182214447 /nfs/dbraw/zinc/21/44/47/182214447.db2.gz WBECTCKUVXITDZ-UHFFFAOYSA-N -1 0 307.421 4.348 10 0 DIAERM Cc1sc(NC(=O)Nc2cccc(Cl)c2)c(C(=O)[O-])c1C ZINC000020332759 182208422 /nfs/dbraw/zinc/20/84/22/182208422.db2.gz AVVUBLVDVAYBSA-UHFFFAOYSA-N -1 0 324.789 4.361 10 0 DIAERM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(Cl)cc3)c12 ZINC000020328699 182208472 /nfs/dbraw/zinc/20/84/72/182208472.db2.gz IVTWQCJQJXXDPM-UHFFFAOYSA-N -1 0 319.773 4.095 10 0 DIAERM C[C@@H]1CCCc2c(C(=O)[O-])c3cc(Br)ccc3nc21 ZINC000020567124 182233361 /nfs/dbraw/zinc/23/33/61/182233361.db2.gz VOGMLGLUAGHHSX-MRVPVSSYSA-N -1 0 320.186 4.135 10 0 DIAERM Cc1ccc(C(=O)[O-])cc1NCc1ccccc1C(F)(F)F ZINC000020878738 182251788 /nfs/dbraw/zinc/25/17/88/182251788.db2.gz IQESNZZCKSPNCQ-UHFFFAOYSA-N -1 0 309.287 4.324 10 0 DIAERM O=C([O-])c1ccnc(Sc2cc(Cl)ccc2Cl)c1 ZINC000021518694 182277696 /nfs/dbraw/zinc/27/76/96/182277696.db2.gz UIXIWDVHCDAOJW-UHFFFAOYSA-N -1 0 300.166 4.238 10 0 DIAERM O=C([O-])c1ccc(Sc2ccc(Br)cc2)cc1 ZINC000039248699 183015511 /nfs/dbraw/zinc/01/55/11/183015511.db2.gz MRVJARNHCGIGSO-UHFFFAOYSA-N -1 0 309.184 4.299 10 0 DIAERM O=C([O-])c1ccsc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000040162591 183042201 /nfs/dbraw/zinc/04/22/01/183042201.db2.gz QBRWMFJHOFJWME-UHFFFAOYSA-N -1 0 316.165 4.005 10 0 DIAERM O=C([O-])c1ccc2c(c1)nc(C1CCCCC1)n2Cc1ccco1 ZINC000040409748 183062902 /nfs/dbraw/zinc/06/29/02/183062902.db2.gz RUKZGCZXHXNENE-UHFFFAOYSA-N -1 0 324.380 4.424 10 0 DIAERM Cc1cccc(C[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000041537500 183199734 /nfs/dbraw/zinc/19/97/34/183199734.db2.gz LEGAMYBRQAWRBW-ZDUSSCGKSA-N -1 0 306.764 4.274 10 0 DIAERM Cc1ccccc1C[C@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000041537496 183199945 /nfs/dbraw/zinc/19/99/45/183199945.db2.gz RBEIRRHCDASICV-CYBMUJFWSA-N -1 0 306.764 4.274 10 0 DIAERM O=C([O-])[C@@H](CCc1ccccc1)c1ccc(Br)cc1 ZINC000057668580 184045475 /nfs/dbraw/zinc/04/54/75/184045475.db2.gz RKOCUWHDXLRZCQ-HNNXBMFYSA-N -1 0 319.198 4.250 10 0 DIAERM Cc1ccccc1[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000057735585 184050491 /nfs/dbraw/zinc/05/04/91/184050491.db2.gz BHBBLZDANSTUTR-OAHLLOKOSA-N -1 0 319.198 4.168 10 0 DIAERM CC(C)(C)c1nc2cc(Cl)c(Cl)cc2n1CCC(=O)[O-] ZINC000057804961 184054968 /nfs/dbraw/zinc/05/49/68/184054968.db2.gz SUBMZPFYYLQDLR-UHFFFAOYSA-N -1 0 315.200 4.115 10 0 DIAERM CC(C)(C)c1nc(Cc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000062491291 184239709 /nfs/dbraw/zinc/23/97/09/184239709.db2.gz SXHKOZZOPYDHPW-UHFFFAOYSA-N -1 0 309.818 4.383 10 0 DIAERM Cc1ncc(COc2c(Cl)cc(Cl)cc2C(=O)[O-])s1 ZINC000062336785 184231056 /nfs/dbraw/zinc/23/10/56/184231056.db2.gz CTTOTXRMMVGQHV-UHFFFAOYSA-N -1 0 318.181 4.036 10 0 DIAERM Cc1cc(Br)cc2c(CC(C)C)c(C(=O)[O-])oc21 ZINC000063061841 184268757 /nfs/dbraw/zinc/26/87/57/184268757.db2.gz YKWZNQBVXVZAPC-UHFFFAOYSA-N -1 0 311.175 4.400 10 0 DIAERM O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2F)cnc1Cl ZINC000065348928 184325919 /nfs/dbraw/zinc/32/59/19/184325919.db2.gz IJUHPDJSPAVONE-UHFFFAOYSA-N -1 0 319.641 4.258 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1cc(Cl)cc(Cl)c1 ZINC000065348634 184325943 /nfs/dbraw/zinc/32/59/43/184325943.db2.gz UKAJHGGKYQGNMU-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1ccc(C(F)(F)F)cc1 ZINC000065348562 184326024 /nfs/dbraw/zinc/32/60/24/184326024.db2.gz CVHVASZUFIISFH-UHFFFAOYSA-N -1 0 301.651 4.119 10 0 DIAERM O=C([O-])c1ccc(F)c(-c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000065354856 184327588 /nfs/dbraw/zinc/32/75/88/184327588.db2.gz QDQPDYMSGQPAPN-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM COc1ccc(-c2cccc(C)c2C(=O)[O-])cc1C(F)(F)F ZINC000065355126 184327729 /nfs/dbraw/zinc/32/77/29/184327729.db2.gz ZKIFYYDBNVURKI-UHFFFAOYSA-N -1 0 310.271 4.388 10 0 DIAERM O=C([O-])c1cc(O)cc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065355188 184327766 /nfs/dbraw/zinc/32/77/66/184327766.db2.gz GYJSIOPOWDXAGL-UHFFFAOYSA-N -1 0 320.344 4.336 10 0 DIAERM C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253595878 257105295 /nfs/dbraw/zinc/10/52/95/257105295.db2.gz KAYYIYDHRSEWHR-IWEWGSSTSA-N -1 0 320.473 4.091 10 0 DIAERM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000179541240 333025491 /nfs/dbraw/zinc/02/54/91/333025491.db2.gz BZNPDXGMYXNWFS-IUCAKERBSA-N -1 0 302.201 4.102 10 0 DIAERM CC(C)N(C(=O)c1ccc(Cl)c(Cl)c1[O-])C1CCCC1 ZINC000179541750 333025584 /nfs/dbraw/zinc/02/55/84/333025584.db2.gz HUAGODPHZCENIT-UHFFFAOYSA-N -1 0 316.228 4.492 10 0 DIAERM Cc1cc(=O)[nH]c([C@H](C)N[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000192724976 336259300 /nfs/dbraw/zinc/25/93/00/336259300.db2.gz YXGMRNSQDORXQQ-KGLIPLIRSA-N -1 0 313.445 4.200 10 0 DIAERM Cc1cc(=O)[nH]c([C@H](C)N[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000192724952 336259397 /nfs/dbraw/zinc/25/93/97/336259397.db2.gz YXGMRNSQDORXQQ-KBPBESRZSA-N -1 0 313.445 4.200 10 0 DIAERM CCSc1c(C)c(C(=O)[O-])ccc1C(F)(F)C(F)(F)F ZINC000584642985 337380227 /nfs/dbraw/zinc/38/02/27/337380227.db2.gz YSDYXNSJMVITLF-UHFFFAOYSA-N -1 0 314.275 4.459 10 0 DIAERM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C[C@@H]1C[C@H]1c1ccccc1 ZINC000263530576 337631224 /nfs/dbraw/zinc/63/12/24/337631224.db2.gz MFQDCVNJXMAUFO-RDJZCZTQSA-N -1 0 323.392 4.134 10 0 DIAERM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000172357350 341797673 /nfs/dbraw/zinc/79/76/73/341797673.db2.gz NHNMSSIRFFTJES-NXEZZACHSA-N -1 0 323.726 4.066 10 0 DIAERM CCCNC(=O)CC1(C(=O)[O-])CCCCCCCCCCC1 ZINC000073634834 519867428 /nfs/dbraw/zinc/86/74/28/519867428.db2.gz FGNUXPVBPZCRDM-UHFFFAOYSA-N -1 0 311.466 4.278 10 0 DIAERM CCCCn1c2ccccc2nc1Nc1ccc(C(=O)[O-])cc1 ZINC000057351680 521374772 /nfs/dbraw/zinc/37/47/72/521374772.db2.gz OCEVPZHARFAHTE-UHFFFAOYSA-N -1 0 309.369 4.278 10 0 DIAERM COc1ccc2c(-c3ccccc3)cc(C(=O)[O-])cc2c1OC ZINC000026467184 525495419 /nfs/dbraw/zinc/49/54/19/525495419.db2.gz UZJCTYSOZDDLIL-UHFFFAOYSA-N -1 0 308.333 4.222 10 0 DIAERM O=C([O-])c1ccc(Br)c(SC2CCCC2)c1 ZINC000584880561 568412660 /nfs/dbraw/zinc/41/26/60/568412660.db2.gz GBUCOWSUZKKEOS-UHFFFAOYSA-N -1 0 301.205 4.182 10 0 DIAERM CC[C@H]1C[C@@H](CC(=O)[O-])c2ccccc2N1C(=O)OC(C)(C)C ZINC000725253921 563544316 /nfs/dbraw/zinc/54/43/16/563544316.db2.gz QYAPPQAGUSIIMI-STQMWFEESA-N -1 0 319.401 4.169 10 0 DIAERM C[C@@H](C(=O)[O-])c1ccc(OCc2ccc(Cl)cc2)c(F)c1 ZINC000048544985 563698805 /nfs/dbraw/zinc/69/88/05/563698805.db2.gz VGVUCUCWXGNMNL-SNVBAGLBSA-N -1 0 308.736 4.246 10 0 DIAERM O=C([O-])c1cc2ccccc2c(NC(=O)OCc2ccccc2)c1 ZINC000669380032 563870069 /nfs/dbraw/zinc/87/00/69/563870069.db2.gz GLZJUKHPGDILSV-UHFFFAOYSA-N -1 0 321.332 4.287 10 0 DIAERM COc1cccc2c(CCC(=O)[O-])c(-c3ccc(C)cc3)[nH]c21 ZINC000616570089 563961695 /nfs/dbraw/zinc/96/16/95/563961695.db2.gz LVTAQHBBBIHCJF-UHFFFAOYSA-N -1 0 309.365 4.169 10 0 DIAERM O=C([O-])C[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000095576307 185380632 /nfs/dbraw/zinc/38/06/32/185380632.db2.gz GOIDVUGVVBKWDA-AWEZNQCLSA-N -1 0 302.757 4.171 10 0 DIAERM O=C([O-])/C=C/c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000082686496 185195256 /nfs/dbraw/zinc/19/52/56/185195256.db2.gz NWZOOBBMEMMCDV-SNAWJCMRSA-N -1 0 300.166 4.215 10 0 DIAERM Cn1c2ccc(Cl)cc2c(-c2ccccc2F)c1C(=O)[O-] ZINC000072182892 191072399 /nfs/dbraw/zinc/07/23/99/191072399.db2.gz YGQTXOMXJSILMT-UHFFFAOYSA-N -1 0 303.720 4.336 10 0 DIAERM CC[C@H](CC(=O)[O-])c1ccc(OCc2ccc(OC)cc2)cc1 ZINC000073220025 191294201 /nfs/dbraw/zinc/29/42/01/191294201.db2.gz IIDPAUOKQGKUBJ-OAHLLOKOSA-N -1 0 314.381 4.243 10 0 DIAERM Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2cccc(F)c2)n1 ZINC000073682399 191341029 /nfs/dbraw/zinc/34/10/29/191341029.db2.gz LKMZSVBYABPLMY-UHFFFAOYSA-N -1 0 324.311 4.082 10 0 DIAERM CC(C)c1cc(SCC(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073695700 191342687 /nfs/dbraw/zinc/34/26/87/191342687.db2.gz GDNKRJKSMMRCIB-UHFFFAOYSA-N -1 0 322.817 4.097 10 0 DIAERM COc1ccc(-c2c(C(=O)[O-])c(-c3ccccc3)cn2C)cc1 ZINC000006239524 181321995 /nfs/dbraw/zinc/32/19/95/181321995.db2.gz CTRZHDNZAFCQII-UHFFFAOYSA-N -1 0 307.349 4.066 10 0 DIAERM Cc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(C(C)C)cc2)c1 ZINC000011760259 181704104 /nfs/dbraw/zinc/70/41/04/181704104.db2.gz KENPUQRTFXTXOQ-UHFFFAOYSA-N -1 0 321.380 4.064 10 0 DIAERM O=C([O-])c1ccc(OCCSc2cccc(Cl)c2)cc1 ZINC000011957676 181720796 /nfs/dbraw/zinc/72/07/96/181720796.db2.gz SPFNXYFPYIZQBV-UHFFFAOYSA-N -1 0 308.786 4.209 10 0 DIAERM O=C([O-])c1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1 ZINC000016052014 182031293 /nfs/dbraw/zinc/03/12/93/182031293.db2.gz XVNRKPCHMYOPPL-UHFFFAOYSA-N -1 0 308.120 4.500 10 0 in-vivo DIAERM CCCc1nc2cccc(Br)c2c(C(=O)[O-])c1CC ZINC000019803363 182151857 /nfs/dbraw/zinc/15/18/57/182151857.db2.gz PJPLFQSICWIQQO-UHFFFAOYSA-N -1 0 322.202 4.210 10 0 DIAERM O=C([O-])c1ccc(SCc2cccc(Br)c2)cc1 ZINC000020081038 182185336 /nfs/dbraw/zinc/18/53/36/182185336.db2.gz ADDUNWUGSYEEOL-UHFFFAOYSA-N -1 0 323.211 4.440 10 0 DIAERM Cc1sc2nc(C)nc(Nc3cccc(C(=O)[O-])c3)c2c1C ZINC000020326639 182207914 /nfs/dbraw/zinc/20/79/14/182207914.db2.gz CHXBAVMZSBZVCW-UHFFFAOYSA-N -1 0 313.382 4.058 10 0 DIAERM CC(C)c1n[n-]c(=S)n1-c1ccccc1SC(F)F ZINC000020589735 182235591 /nfs/dbraw/zinc/23/55/91/182235591.db2.gz TUNLYERTDUKWAA-UHFFFAOYSA-N -1 0 301.387 4.368 10 0 DIAERM O=C([O-])c1ccc(F)cc1-c1ccccc1OC(F)(F)F ZINC000021950500 182299672 /nfs/dbraw/zinc/29/96/72/182299672.db2.gz MABZEMPGZZGGRE-UHFFFAOYSA-N -1 0 300.207 4.090 10 0 DIAERM Cc1ccc(OCc2nc3cc(C(=O)[O-])ccc3n2C(C)C)cc1 ZINC000040417326 183063438 /nfs/dbraw/zinc/06/34/38/183063438.db2.gz WMZDCODLQLGJDJ-UHFFFAOYSA-N -1 0 324.380 4.203 10 0 DIAERM O=C([O-])[C@@H](Cc1cccc(F)c1)Cc1c(F)cccc1Cl ZINC000041545913 183201749 /nfs/dbraw/zinc/20/17/49/183201749.db2.gz HHJMZPNKLNVZQS-NSHDSACASA-N -1 0 310.727 4.104 10 0 DIAERM CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2C[C@H]1O ZINC000105249481 194089773 /nfs/dbraw/zinc/08/97/73/194089773.db2.gz DYNISIGUMYFVJW-HPUSYDDDSA-N -1 0 318.457 4.177 10 0 endogenous,in-man DIAERM Cc1cccc(-n2nc(C(=O)[O-])c3c2-c2ccccc2SC3)c1 ZINC000049453750 183732106 /nfs/dbraw/zinc/73/21/06/183732106.db2.gz SRNDLBJSYKAPGL-UHFFFAOYSA-N -1 0 322.389 4.152 10 0 DIAERM O=C([O-])c1cccc(CSc2cccc(Br)c2)c1 ZINC000055306341 183977606 /nfs/dbraw/zinc/97/76/06/183977606.db2.gz ZKUHMPKPUIZTDT-UHFFFAOYSA-N -1 0 323.211 4.440 10 0 DIAERM Cc1ccc([C@@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000057735551 184050498 /nfs/dbraw/zinc/05/04/98/184050498.db2.gz FSKFXMURENZEJF-OAHLLOKOSA-N -1 0 319.198 4.168 10 0 DIAERM CCCCn1c2ccc(CC(=O)[O-])cc2nc1-c1ccccc1 ZINC000057764523 184052059 /nfs/dbraw/zinc/05/20/59/184052059.db2.gz GZMGXCRWQWDAHZ-UHFFFAOYSA-N -1 0 308.381 4.131 10 0 DIAERM CC(C)(C)c1ccc(-c2nc3ccccc3n2CCC(=O)[O-])cc1 ZINC000057800025 184053207 /nfs/dbraw/zinc/05/32/07/184053207.db2.gz GDJAKFAGYCDAGS-UHFFFAOYSA-N -1 0 322.408 4.476 10 0 DIAERM O=C([O-])CCn1c2cc(Cl)c(Cl)cc2nc1C1CCC1 ZINC000057805220 184054710 /nfs/dbraw/zinc/05/47/10/184054710.db2.gz KVPWDEQHBYWBHM-UHFFFAOYSA-N -1 0 313.184 4.085 10 0 DIAERM CCCCC[C@@H](O)CCC[C@H](CO)CCCCCCC(=O)[O-] ZINC000059902753 184142255 /nfs/dbraw/zinc/14/22/55/184142255.db2.gz GZFYNDXNCWIKMJ-IAGOWNOFSA-N -1 0 316.482 4.132 10 0 DIAERM CCCCC[C@H](O)CCC[C@H](CO)CCCCCCC(=O)[O-] ZINC000059902750 184142556 /nfs/dbraw/zinc/14/25/56/184142556.db2.gz GZFYNDXNCWIKMJ-SJORKVTESA-N -1 0 316.482 4.132 10 0 DIAERM O=C([O-])c1ccc(Nc2cc(Br)ccc2Cl)o1 ZINC000061693157 184183247 /nfs/dbraw/zinc/18/32/47/184183247.db2.gz NMRQPDAUFGPOHC-UHFFFAOYSA-N -1 0 316.538 4.137 10 0 DIAERM O=C([O-])c1cc(-c2cc(Cl)cc(Cl)c2)cnc1Cl ZINC000065348633 184325846 /nfs/dbraw/zinc/32/58/46/184325846.db2.gz FOOZUESLBLVGDL-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)cnc1Cl ZINC000065348619 184325963 /nfs/dbraw/zinc/32/59/63/184325963.db2.gz KGWYRJOFPFMEGX-UHFFFAOYSA-N -1 0 302.544 4.407 10 0 DIAERM O=C([O-])c1cc(Cl)ncc1-c1cccc(C(F)(F)F)c1F ZINC000065348929 184325991 /nfs/dbraw/zinc/32/59/91/184325991.db2.gz NKNCJPLRUKNJMY-UHFFFAOYSA-N -1 0 319.641 4.258 10 0 DIAERM O=C([O-])c1cc(-c2ccccc2C(F)(F)F)cnc1Cl ZINC000065348542 184326146 /nfs/dbraw/zinc/32/61/46/184326146.db2.gz QSSLMQJCUSYTMP-UHFFFAOYSA-N -1 0 301.651 4.119 10 0 DIAERM O=C([O-])c1cc(-c2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000065350460 184326490 /nfs/dbraw/zinc/32/64/90/184326490.db2.gz CNRRCAIIQLYFSM-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM O=C([O-])c1ncccc1-c1cccc(OCc2ccccc2)c1 ZINC000065349137 184326671 /nfs/dbraw/zinc/32/66/71/184326671.db2.gz BIRHMQKTABPWTR-UHFFFAOYSA-N -1 0 305.333 4.026 10 0 DIAERM O=C([O-])c1cc(F)cc(-c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000065354860 184327271 /nfs/dbraw/zinc/32/72/71/184327271.db2.gz XXEJROWLHVDJNJ-UHFFFAOYSA-N -1 0 302.198 4.349 10 0 DIAERM COc1ccc(-c2ccc(C(=O)[O-])cc2F)cc1C(F)(F)F ZINC000065355137 184328024 /nfs/dbraw/zinc/32/80/24/184328024.db2.gz AINHGMFSDCMVNW-UHFFFAOYSA-N -1 0 314.234 4.218 10 0 DIAERM CCCCCN(C(=O)C1CCC(C(=O)[O-])CC1)[C@H](C)CCC ZINC000194403686 335070559 /nfs/dbraw/zinc/07/05/59/335070559.db2.gz WGBWLOTZQBLUPT-QQFBHYJXSA-N -1 0 311.466 4.085 10 0 DIAERM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000179541254 333025589 /nfs/dbraw/zinc/02/55/89/333025589.db2.gz BZNPDXGMYXNWFS-RKDXNWHRSA-N -1 0 302.201 4.102 10 0 DIAERM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC[C@H](C(=O)[O-])C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000584591634 337373500 /nfs/dbraw/zinc/37/35/00/337373500.db2.gz BKVVTFPTIAKJNY-LUTFQZRRSA-N -1 0 320.473 4.091 10 0 DIAERM O=C([O-])c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F ZINC000584626809 337376086 /nfs/dbraw/zinc/37/60/86/337376086.db2.gz QJBWZDXHWCSCMB-UHFFFAOYSA-N -1 0 315.731 4.316 10 0 DIAERM CC(C)(C)c1cc(NC(=O)CCC(=O)[O-])cc(C(C)(C)C)c1 ZINC000584653337 337381316 /nfs/dbraw/zinc/38/13/16/337381316.db2.gz CBAKOPFWYRRTED-UHFFFAOYSA-N -1 0 305.418 4.085 10 0 DIAERM O=C([O-])CCCCCCC[C@H]1O[C@H]1CCCCCCCCO ZINC000015165705 560229005 /nfs/dbraw/zinc/22/90/05/560229005.db2.gz ITTPZDMHCNGAGQ-DLBZAZTESA-N -1 0 314.466 4.292 10 0 in-vitro DIAERM CC[C@@H]1C[C@@H](CC(=O)[O-])c2ccccc2N1C(=O)OC(C)(C)C ZINC000725253920 563543865 /nfs/dbraw/zinc/54/38/65/563543865.db2.gz QYAPPQAGUSIIMI-QWHCGFSZSA-N -1 0 319.401 4.169 10 0 DIAERM CC[C@@H]1C[C@H](CC(=O)[O-])c2ccccc2N1C(=O)OC(C)(C)C ZINC000725253918 563544115 /nfs/dbraw/zinc/54/41/15/563544115.db2.gz QYAPPQAGUSIIMI-CHWSQXEVSA-N -1 0 319.401 4.169 10 0 DIAERM O=C([O-])c1sc(Br)cc1C12CCC(CC1)C2 ZINC000675058117 563910277 /nfs/dbraw/zinc/91/02/77/563910277.db2.gz SZYUXRULDBVDIV-UHFFFAOYSA-N -1 0 301.205 4.041 10 0 DIAERM