smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000137317293 949338200 /nfs/dbraw/zinc/33/82/00/949338200.db2.gz RDTMKUOIYCVMDR-UHFFFAOYSA-N -1 0 318.760 3.668 10 0 DHAERM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000163858631 949398493 /nfs/dbraw/zinc/39/84/93/949398493.db2.gz FSQFEBIFDIONCA-JTQLQIEISA-N -1 0 304.173 3.679 10 0 DHAERM CC(C)CCC(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC000232537016 949776753 /nfs/dbraw/zinc/77/67/53/949776753.db2.gz UIYIBIAKIWROOZ-UHFFFAOYSA-N -1 0 314.179 3.522 10 0 DHAERM O=C([O-])c1csc(SCc2ccc3ccccc3n2)n1 ZINC000381035619 971732712 /nfs/dbraw/zinc/73/27/12/971732712.db2.gz NQLYIBAOQYIFOK-UHFFFAOYSA-N -1 0 302.380 3.682 10 0 DHAERM CSCC1CCC(Nc2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000385329306 971995318 /nfs/dbraw/zinc/99/53/18/971995318.db2.gz UCZWKHFPPLKSGM-UHFFFAOYSA-N -1 0 314.838 3.767 10 0 DHAERM CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(Cl)cc1Cl ZINC000692578480 954701917 /nfs/dbraw/zinc/70/19/17/954701917.db2.gz QUCVPZGVSKIZAE-UHFFFAOYSA-N -1 0 318.200 3.566 10 0 DHAERM C[C@@H](Sc1ccc2c(c1)OCCO2)c1ccc(C(=O)[O-])o1 ZINC000110287401 958381277 /nfs/dbraw/zinc/38/12/77/958381277.db2.gz VUFSERYTAJTYFU-SECBINFHSA-N -1 0 306.339 3.602 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc3ncsc3c2)s1 ZINC000110775437 958397966 /nfs/dbraw/zinc/39/79/66/958397966.db2.gz GDOZUORSVBQVHA-UHFFFAOYSA-N -1 0 318.379 3.617 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H]1CSc2ccccc21 ZINC000128208268 958644598 /nfs/dbraw/zinc/64/45/98/958644598.db2.gz FDSPHZPZGVTNFR-SNVBAGLBSA-N -1 0 319.407 3.583 10 0 DHAERM C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000130588487 958734763 /nfs/dbraw/zinc/73/47/63/958734763.db2.gz BTUQHLQYVJAVJK-ZJUUUORDSA-N -1 0 310.781 3.548 10 0 DHAERM O=C([O-])c1ccc(C(F)(F)F)nc1NCCCC(F)(F)F ZINC000131126730 958743552 /nfs/dbraw/zinc/74/35/52/958743552.db2.gz QOZYLFYQWBGMFP-UHFFFAOYSA-N -1 0 316.201 3.553 10 0 DHAERM CC[C@@H]1CC[C@H](C)N1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000136336367 958898392 /nfs/dbraw/zinc/89/83/92/958898392.db2.gz QQHZEGUYWYYYQL-GZMMTYOYSA-N -1 0 310.419 3.858 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)c2cc(C)c(F)cc2F)s1 ZINC000137274644 958920887 /nfs/dbraw/zinc/92/08/87/958920887.db2.gz VQTZEOMINUSFJI-UHFFFAOYSA-N -1 0 311.309 3.594 10 0 DHAERM Cc1c2ccccc2oc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000170565721 959414823 /nfs/dbraw/zinc/41/48/23/959414823.db2.gz HICSKTATZVKRIR-UHFFFAOYSA-N -1 0 309.321 3.621 10 0 DHAERM Cc1ccc(Br)cc1OCc1cc(C(=O)[O-])co1 ZINC000228321766 960010028 /nfs/dbraw/zinc/01/00/28/960010028.db2.gz MOBQTFDVPJGSDW-UHFFFAOYSA-N -1 0 311.131 3.628 10 0 DHAERM O=C([O-])c1ccc2c(c1)N(Cc1cccc(F)c1Cl)CC2 ZINC000228534860 960022901 /nfs/dbraw/zinc/02/29/01/960022901.db2.gz SXHHVGZHQBCDRS-UHFFFAOYSA-N -1 0 305.736 3.740 10 0 DHAERM O=C([O-])c1sc(Oc2ccc3cccnc3c2)nc1Cl ZINC000229042440 960055707 /nfs/dbraw/zinc/05/57/07/960055707.db2.gz GCBNNZGUWVKNQW-UHFFFAOYSA-N -1 0 306.730 3.835 10 0 DHAERM CSC1(CNc2ncc(C(=O)[O-])cc2Cl)CCCCC1 ZINC000235214898 960398700 /nfs/dbraw/zinc/39/87/00/960398700.db2.gz QHYSSIQIBZGANQ-UHFFFAOYSA-N -1 0 314.838 3.911 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(Cl)c(F)c1 ZINC000235834925 960510522 /nfs/dbraw/zinc/51/05/22/960510522.db2.gz AQKSCTQGNYMDFS-UHFFFAOYSA-N -1 0 313.737 3.800 10 0 DHAERM Cc1cc(Cl)ccc1NC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000244010525 961184966 /nfs/dbraw/zinc/18/49/66/961184966.db2.gz SKMQUBIZMZDSJJ-UHFFFAOYSA-N -1 0 318.760 3.668 10 0 DHAERM O=C([O-])c1sc(N2CC[C@H]3CCCC[C@H]3C2)nc1Cl ZINC000250860003 961231960 /nfs/dbraw/zinc/23/19/60/961231960.db2.gz QBKPOUVCVDHOAU-BDAKNGLRSA-N -1 0 300.811 3.511 10 0 DHAERM O=C([O-])c1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1 ZINC000263422164 962594798 /nfs/dbraw/zinc/59/47/98/962594798.db2.gz LJQCXPISPCNGAM-KRWDZBQOSA-N -1 0 309.365 3.752 10 0 DHAERM CCC(CC)N(CC(C)C)C(=O)c1c(C)coc1CC(=O)[O-] ZINC000263458872 962646293 /nfs/dbraw/zinc/64/62/93/962646293.db2.gz VFNLEAGDKNHRHX-UHFFFAOYSA-N -1 0 309.406 3.502 10 0 DHAERM Cc1oc(C(C)C)cc1C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000263547318 962722380 /nfs/dbraw/zinc/72/23/80/962722380.db2.gz UQDLJIMRDAZTPJ-UHFFFAOYSA-N -1 0 307.390 3.571 10 0 DHAERM CCN(Cc1ccccc1)C(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000309536680 963353944 /nfs/dbraw/zinc/35/39/44/963353944.db2.gz GJKAFOJIMHQCEL-UHFFFAOYSA-N -1 0 316.332 3.578 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)[C@H]1CCCC(F)(F)C1 ZINC000312126663 963536870 /nfs/dbraw/zinc/53/68/70/963536870.db2.gz BRIVZSVXTKTELY-QMMMGPOBSA-N -1 0 303.330 3.519 10 0 DHAERM Cc1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)sc1C(=O)[O-] ZINC000312131891 963538224 /nfs/dbraw/zinc/53/82/24/963538224.db2.gz SYUXEKZGLRISIW-MRVPVSSYSA-N -1 0 303.330 3.519 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)c1cc(F)ccc1Cl ZINC000313226205 963627287 /nfs/dbraw/zinc/62/72/87/963627287.db2.gz RUHWHGFKRKPEFI-UHFFFAOYSA-N -1 0 313.737 3.800 10 0 DHAERM CC[C@H](C)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000400360702 973266494 /nfs/dbraw/zinc/26/64/94/973266494.db2.gz ADQNHEVAKIKADA-QPUJVOFHSA-N -1 0 318.200 3.613 10 0 DHAERM Cc1csc(C(=O)NCCCCCCCC(=O)[O-])c1Cl ZINC000403191835 973665529 /nfs/dbraw/zinc/66/55/29/973665529.db2.gz KAHFXGODVTUHIN-UHFFFAOYSA-N -1 0 317.838 3.865 10 0 DHAERM Cc1c(Cl)cc(NC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000690306146 976284305 /nfs/dbraw/zinc/28/43/05/976284305.db2.gz BGMNNZRWEVKOLX-UHFFFAOYSA-N -1 0 314.124 3.845 10 0 DHAERM CC[C@@H](Nc1cccc(NC(=O)OC(C)(C)C)c1C)C(=O)[O-] ZINC000702728845 977110746 /nfs/dbraw/zinc/11/07/46/977110746.db2.gz HBXUJCKHBPPWKI-LLVKDONJSA-N -1 0 308.378 3.617 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)c2cscc2Cl)s1 ZINC000711295943 977533999 /nfs/dbraw/zinc/53/39/99/977533999.db2.gz USCWLELFEFLFCB-UHFFFAOYSA-N -1 0 301.776 3.722 10 0 DHAERM O=C([O-])c1ccccc1OCc1cc(-c2cccs2)on1 ZINC000013411740 190637833 /nfs/dbraw/zinc/63/78/33/190637833.db2.gz ZFYZCIGAHFLXDW-UHFFFAOYSA-N -1 0 301.323 3.680 10 0 DHAERM COc1cc(C(=O)[O-])cc(CSC)c1OCc1ccccc1 ZINC000226288404 201772216 /nfs/dbraw/zinc/77/22/16/201772216.db2.gz OEJAUVHLOZGOKX-UHFFFAOYSA-N -1 0 318.394 3.835 10 0 DHAERM O=C([O-])/C=C/c1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000226322496 201774877 /nfs/dbraw/zinc/77/48/77/201774877.db2.gz VSGUHQWPCZZONU-CMDGGOBGSA-N -1 0 307.305 3.783 10 0 DHAERM CCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccncc2)n1 ZINC000070455644 190895824 /nfs/dbraw/zinc/89/58/24/190895824.db2.gz OKRRZTQVOXDGSO-UHFFFAOYSA-N -1 0 320.352 3.543 10 0 DHAERM CCc1nc(Oc2ccc(C(=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000073683078 191341878 /nfs/dbraw/zinc/34/18/78/191341878.db2.gz AEBZJZCRSPLMMG-UHFFFAOYSA-N -1 0 321.336 3.592 10 0 DHAERM Cc1ccc(-c2nc(SCC(=O)[O-])cc(C(C)C)n2)cc1 ZINC000073695532 191342783 /nfs/dbraw/zinc/34/27/83/191342783.db2.gz RXGQMMHITCXFDG-UHFFFAOYSA-N -1 0 302.399 3.752 10 0 DHAERM O=C([O-])CSc1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000073695499 191343273 /nfs/dbraw/zinc/34/32/73/191343273.db2.gz NUMJTFAOUUXVCI-UHFFFAOYSA-N -1 0 322.389 3.987 10 0 DHAERM CCc1cc(SCC(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073695698 191343311 /nfs/dbraw/zinc/34/33/11/191343311.db2.gz UBHDJYNTEUFBJV-UHFFFAOYSA-N -1 0 308.790 3.536 10 0 DHAERM Cc1nc(CCOc2ccc(C(C)C)cc2)sc1C(=O)[O-] ZINC000005592741 181261787 /nfs/dbraw/zinc/26/17/87/181261787.db2.gz KWMYCVUAVAEPEE-UHFFFAOYSA-N -1 0 305.399 3.895 10 0 DHAERM CCOc1ccc2ccccc2c1-c1nc(CC(=O)[O-])cs1 ZINC000005592347 181260950 /nfs/dbraw/zinc/26/09/50/181260950.db2.gz VPMUXHSFISQUIC-UHFFFAOYSA-N -1 0 313.378 3.989 10 0 DHAERM COc1cc(-c2nc(C)c(C(=O)[O-])s2)ccc1OC(C)C ZINC000005592395 181261418 /nfs/dbraw/zinc/26/14/18/181261418.db2.gz XUWMGQNEEHEMFC-UHFFFAOYSA-N -1 0 307.371 3.613 10 0 DHAERM CC[C@H](O)[C@H](O)C/C=C/C/C=C/CCCCCCCC(=O)[O-] ZINC000085616853 192518530 /nfs/dbraw/zinc/51/85/30/192518530.db2.gz LKLLJYJTYPVCID-GSPIPNAGSA-N -1 0 312.450 3.826 10 0 DHAERM Cc1c(Cl)cccc1NC(=O)[C@H](C)c1nc(C(=O)[O-])cs1 ZINC000008028359 181519828 /nfs/dbraw/zinc/51/98/28/181519828.db2.gz FKYFLDMITARBED-QMMMGPOBSA-N -1 0 324.789 3.545 10 0 DHAERM CC(C)c1ccc(-n2nnc(C(=O)[O-])c2-c2cccs2)cc1 ZINC000011760288 181704150 /nfs/dbraw/zinc/70/41/50/181704150.db2.gz WXIMZVOUHNVEIY-UHFFFAOYSA-N -1 0 313.382 3.817 10 0 DHAERM O=C([O-])c1ccccc1COc1cccc(Br)c1 ZINC000011801298 181706939 /nfs/dbraw/zinc/70/69/39/181706939.db2.gz UIKANHRQYZDYOR-UHFFFAOYSA-N -1 0 307.143 3.726 10 0 DHAERM Cc1cc(Br)ccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000011994519 181722545 /nfs/dbraw/zinc/72/25/45/181722545.db2.gz ZEDPLTFVZVUDSL-AWEZNQCLSA-N -1 0 321.170 3.962 10 0 DHAERM O=C([O-])c1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1 ZINC000013185631 181837200 /nfs/dbraw/zinc/83/72/00/181837200.db2.gz OGJDLLWLOBDWND-RMKNXTFCSA-N -1 0 301.729 3.690 10 0 DHAERM C[C@@H]1CCc2nc3ccc(Br)cc3c(C(=O)[O-])c2C1 ZINC000019232387 182110501 /nfs/dbraw/zinc/11/05/01/182110501.db2.gz HIGXSLMBNVUUGC-MRVPVSSYSA-N -1 0 320.186 3.820 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(F)cc2)s1 ZINC000020333087 182209095 /nfs/dbraw/zinc/20/90/95/182209095.db2.gz AXECLTGVCVDDIP-QPJJXVBHSA-N -1 0 305.330 3.546 10 0 DHAERM CCc1nc(C)c(C(=O)[O-])c(SCc2ccc(C)cc2)n1 ZINC000022143470 182310715 /nfs/dbraw/zinc/31/07/15/182310715.db2.gz OYXWKHYWOVCPHO-UHFFFAOYSA-N -1 0 302.399 3.646 10 0 DHAERM O=C([O-])[C@@H]1CC[C@@H](CC(=O)c2ccccc2C(F)(F)F)C1 ZINC000098090539 193784355 /nfs/dbraw/zinc/78/43/55/193784355.db2.gz SJYYLUUYOGRNAZ-NXEZZACHSA-N -1 0 300.276 3.779 10 0 DHAERM Cc1cccc(C)c1CC(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000192889640 335037328 /nfs/dbraw/zinc/03/73/28/335037328.db2.gz BGQOJUIGKHHAMT-UHFFFAOYSA-N -1 0 311.381 3.502 10 0 DHAERM Cc1cccc([C@H](Nc2ccc(Br)cc2)C(=O)[O-])c1 ZINC000037960264 182943174 /nfs/dbraw/zinc/94/31/74/182943174.db2.gz KQPSCWRBPUFLFB-AWEZNQCLSA-N -1 0 320.186 3.995 10 0 DHAERM O=C([O-])[C@H](Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000037961878 182943191 /nfs/dbraw/zinc/94/31/91/182943191.db2.gz AEQMOJLHIKURNQ-CYBMUJFWSA-N -1 0 324.149 3.826 10 0 DHAERM C[C@@H]1CCC[C@@](Nc2ccc(Br)cc2)(C(=O)[O-])C1 ZINC000037960164 182943313 /nfs/dbraw/zinc/94/33/13/182943313.db2.gz IJJGUEMWEMVWMJ-YGRLFVJLSA-N -1 0 312.207 3.895 10 0 DHAERM O=C([O-])c1ccc2noc(-c3ccc(Br)cc3)c2c1 ZINC000039287008 183016167 /nfs/dbraw/zinc/01/61/67/183016167.db2.gz GHADBXNZYXCTCX-UHFFFAOYSA-N -1 0 318.126 3.956 10 0 DHAERM CC(C)c1cc(C(=O)[O-])c2cc(F)cc(Br)c2n1 ZINC000041655329 183213524 /nfs/dbraw/zinc/21/35/24/183213524.db2.gz SNYJDTJFKDHNGV-UHFFFAOYSA-N -1 0 312.138 3.958 10 0 DHAERM C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000048814020 183688834 /nfs/dbraw/zinc/68/88/34/183688834.db2.gz REDNGCRXBLLFIT-NXEZZACHSA-N -1 0 310.781 3.833 10 0 DHAERM O=C([O-])c1ccc(NCc2ccccc2Br)c(F)c1 ZINC000054530840 183944030 /nfs/dbraw/zinc/94/40/30/183944030.db2.gz VEXDNGLGJBQNGZ-UHFFFAOYSA-N -1 0 324.149 3.899 10 0 DHAERM CCCCc1nc2c(cccc2C(F)(F)F)c(O)c1C(=O)[O-] ZINC000059846376 184141498 /nfs/dbraw/zinc/14/14/98/184141498.db2.gz FHQHIOPMXLHSJY-UHFFFAOYSA-N -1 0 313.275 3.588 10 0 DHAERM O=C([O-])c1cc(=O)[nH]cc1-c1cccc(OCc2ccccc2)c1 ZINC000065349144 184326391 /nfs/dbraw/zinc/32/63/91/184326391.db2.gz HPWAVJKKRLPMMF-UHFFFAOYSA-N -1 0 321.332 3.731 10 0 DHAERM O=C([O-])c1cc(-c2ccc(F)cc2O)cc(C(F)(F)F)c1 ZINC000065350216 184326694 /nfs/dbraw/zinc/32/66/94/184326694.db2.gz NTXRUXMSXLCPHZ-UHFFFAOYSA-N -1 0 300.207 3.915 10 0 DHAERM O=C([O-])c1cc(-c2cc(O)cc(F)c2)cc(C(F)(F)F)c1 ZINC000065350188 184326756 /nfs/dbraw/zinc/32/67/56/184326756.db2.gz QVPFVQQXHWCUTA-UHFFFAOYSA-N -1 0 300.207 3.915 10 0 DHAERM COC(=O)c1cc(-c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000065354607 184327080 /nfs/dbraw/zinc/32/70/80/184327080.db2.gz UTUOGTJYFPVRCK-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM COC(=O)c1cc(F)cc(-c2cccc(Cl)c2C(=O)[O-])c1 ZINC000065354578 184327088 /nfs/dbraw/zinc/32/70/88/184327088.db2.gz ZCATTWFXSQWMKG-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM CCOC(=O)c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000065354462 184327097 /nfs/dbraw/zinc/32/70/97/184327097.db2.gz 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AAQSASPIKZTNFR-UHFFFAOYSA-N -1 0 307.349 3.763 10 0 DHAERM O=C([O-])c1ccc(Nc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 ZINC000217023016 201507280 /nfs/dbraw/zinc/50/72/80/201507280.db2.gz OROUFOPOMAWHKN-UHFFFAOYSA-N -1 0 323.274 3.815 10 0 DHAERM Cc1ccc(Oc2cc(C(=O)[O-])ccn2)c(Br)c1 ZINC000020077827 182185426 /nfs/dbraw/zinc/18/54/26/182185426.db2.gz FSYHAZZWMIBPDO-UHFFFAOYSA-N -1 0 308.131 3.643 10 0 DHAERM CCOc1c(CNc2cc(C(=O)[O-])ccc2C)cccc1OC ZINC000020881165 182251490 /nfs/dbraw/zinc/25/14/90/182251490.db2.gz PXONOKAFVAAHNK-UHFFFAOYSA-N -1 0 315.369 3.713 10 0 DHAERM O=C([O-])c1cc(-c2ccc(Cl)s2)n(-c2ccccc2)n1 ZINC000021810084 182292221 /nfs/dbraw/zinc/29/22/21/182292221.db2.gz OEVGHUFHUBIKJA-UHFFFAOYSA-N -1 0 304.758 3.952 10 0 DHAERM CC(C)(C)c1cc2nc(C[C@H]3CCc4ccccc43)cc(=O)n2[n-]1 ZINC000023337219 182357534 /nfs/dbraw/zinc/35/75/34/182357534.db2.gz SNNGZSJRGVEGSF-CQSZACIVSA-N -1 0 321.424 3.593 10 0 DHAERM O=C([O-])c1nc(CC2CCCCC2)c(Br)s1 ZINC000098180631 193791608 /nfs/dbraw/zinc/79/16/08/193791608.db2.gz ZSVCTYLDOXLOSX-UHFFFAOYSA-N -1 0 304.209 3.727 10 0 DHAERM C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1cccs1 ZINC000035148529 182756882 /nfs/dbraw/zinc/75/68/82/182756882.db2.gz YPEVRXOQOCJUGW-LBPRGKRZSA-N -1 0 309.431 3.741 10 0 DHAERM O=C([O-])C[C@H]1CCCCN1c1nc(-c2ccccc2)cs1 ZINC000038027087 182971079 /nfs/dbraw/zinc/97/10/79/182971079.db2.gz XWIHBRBHRLOCHF-CYBMUJFWSA-N -1 0 302.399 3.644 10 0 DHAERM CCn1c(COc2ccc(C)cc2C)nc2cc(C(=O)[O-])ccc21 ZINC000040417163 183063691 /nfs/dbraw/zinc/06/36/91/183063691.db2.gz SOYFNBAEGYMRSN-UHFFFAOYSA-N -1 0 324.380 3.950 10 0 DHAERM CCc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)[O-] ZINC000040538422 183096377 /nfs/dbraw/zinc/09/63/77/183096377.db2.gz IZMZICZOGKPBKA-UHFFFAOYSA-N -1 0 311.790 3.945 10 0 DHAERM O=C([O-])c1ccc(OC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 ZINC000045948912 183538471 /nfs/dbraw/zinc/53/84/71/183538471.db2.gz YFWAUORKNUGKQM-UHFFFAOYSA-N -1 0 315.712 3.739 10 0 DHAERM O=C([O-])c1cccc(OC(=O)c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000045948914 183538491 /nfs/dbraw/zinc/53/84/91/183538491.db2.gz LEPBWZOIJHKTTH-UHFFFAOYSA-N -1 0 315.712 3.739 10 0 DHAERM O=C([O-])c1ccc(Nc2ccc(F)cc2Br)o1 ZINC000050908327 183807234 /nfs/dbraw/zinc/80/72/34/183807234.db2.gz QOTUYWGMGUJYDM-UHFFFAOYSA-N -1 0 300.083 3.623 10 0 DHAERM COCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[O-])cc12 ZINC000051699760 183835349 /nfs/dbraw/zinc/83/53/49/183835349.db2.gz QVCYZQJQWZILBO-UHFFFAOYSA-N -1 0 322.773 3.585 10 0 DHAERM O=C([O-])c1cc2c(C(F)(F)F)cc(-c3ccccc3)[nH]c-2n1 ZINC000051971905 183844170 /nfs/dbraw/zinc/84/41/70/183844170.db2.gz VKCXXJOVHRMYKF-UHFFFAOYSA-N -1 0 306.243 3.947 10 0 DHAERM Nc1ncc(-c2ccc(OCc3ccccc3)cc2)cc1C(=O)[O-] ZINC000065349158 184326480 /nfs/dbraw/zinc/32/64/80/184326480.db2.gz YXKIMBXPXNXYHU-UHFFFAOYSA-N -1 0 320.348 3.608 10 0 DHAERM Nc1cc(C(=O)[O-])c(-c2cccc(OCc3ccccc3)c2)cn1 ZINC000065349141 184326584 /nfs/dbraw/zinc/32/65/84/184326584.db2.gz OCTXVTONYKAQOP-UHFFFAOYSA-N -1 0 320.348 3.608 10 0 DHAERM COC(=O)c1ccc(F)c(-c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000065354521 184326902 /nfs/dbraw/zinc/32/69/02/184326902.db2.gz GTZUXGOUUMUQBI-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM COC(=O)c1ccc(F)c(-c2cccc(Cl)c2C(=O)[O-])c1 ZINC000065354522 184327020 /nfs/dbraw/zinc/32/70/20/184327020.db2.gz DJGRLFBKALOSCU-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM COC(=O)c1ccc(Cl)c(-c2cccc(C(=O)[O-])c2OC)c1 ZINC000065354975 184327260 /nfs/dbraw/zinc/32/72/60/184327260.db2.gz SDIIZILPHREBAT-UHFFFAOYSA-N -1 0 320.728 3.500 10 0 DHAERM COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)[O-])cc2F)c1 ZINC000065354969 184327561 /nfs/dbraw/zinc/32/75/61/184327561.db2.gz IGTJLCFTGRIFFN-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM O=C([O-])c1c(Cl)cccc1-c1cccc(C(=O)NC2CC2)c1 ZINC000065354771 184327582 /nfs/dbraw/zinc/32/75/82/184327582.db2.gz SXUPEJRAVXUOBM-UHFFFAOYSA-N -1 0 315.756 3.597 10 0 DHAERM COc1ccc(C(F)(F)F)cc1-c1cc(N)cc(C(=O)[O-])c1 ZINC000065355102 184327885 /nfs/dbraw/zinc/32/78/85/184327885.db2.gz AOBHJAORZLOUPG-UHFFFAOYSA-N -1 0 311.259 3.661 10 0 DHAERM Cc1ccc([C@@H](C)NC(=O)c2cc(F)c([O-])c(F)c2)cc1F ZINC000186860095 333380424 /nfs/dbraw/zinc/38/04/24/333380424.db2.gz XWKFWVPPFWOFNT-SECBINFHSA-N -1 0 309.287 3.609 10 0 DHAERM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000187440453 333523028 /nfs/dbraw/zinc/52/30/28/333523028.db2.gz AHHWWVPOYIVLGF-KCJUWKMLSA-N -1 0 302.201 3.960 10 0 DHAERM CCc1c(C(=O)[O-])ccc(C2CCC2)c1[S@](=O)CC1CC1 ZINC000584598844 337370649 /nfs/dbraw/zinc/37/06/49/337370649.db2.gz KSSFUSHHSNSLJL-OAQYLSRUSA-N -1 0 306.427 3.732 10 0 DHAERM CCc1c(C(=O)[O-])ccc(C(F)F)c1[S@](=O)CC(C)C ZINC000584642185 337380198 /nfs/dbraw/zinc/38/01/98/337380198.db2.gz CGEAVOBCCJONNG-HXUWFJFHSA-N -1 0 304.358 3.648 10 0 DHAERM O=C([O-])CCCCCCc1ccc(Br)cc1O ZINC000584652168 337380983 /nfs/dbraw/zinc/38/09/83/337380983.db2.gz BSUIRHIHKRXMEB-UHFFFAOYSA-N -1 0 301.180 3.732 10 0 DHAERM CCc1oc(C(=O)NC(C)(C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000261630363 337606780 /nfs/dbraw/zinc/60/67/80/337606780.db2.gz JHPAOAWUSQYMAH-UHFFFAOYSA-N -1 0 315.369 3.514 10 0 DHAERM CCc1oc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000261664410 337607811 /nfs/dbraw/zinc/60/78/11/337607811.db2.gz OFEQZQSZLMBHBO-INIZCTEOSA-N -1 0 315.369 3.667 10 0 DHAERM CCC(CC)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000262053275 337614749 /nfs/dbraw/zinc/61/47/49/337614749.db2.gz FWHSILABWUEHND-STQMWFEESA-N -1 0 323.820 3.593 10 0 DHAERM CC(C)c1ccc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000262128432 337615356 /nfs/dbraw/zinc/61/53/56/337615356.db2.gz HGNGOKXMYMDGAQ-LLVKDONJSA-N -1 0 301.342 3.592 10 0 DHAERM CCCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262146627 337615409 /nfs/dbraw/zinc/61/54/09/337615409.db2.gz OXVIWLWQTAMPNY-ZIAGYGMSSA-N -1 0 323.820 3.580 10 0 DHAERM COc1cc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1C(=O)[O-] ZINC000262940984 337622547 /nfs/dbraw/zinc/62/25/47/337622547.db2.gz MBZRKYNMOHQMIE-LSDHHAIUSA-N -1 0 317.385 3.548 10 0 DHAERM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000106454185 337818959 /nfs/dbraw/zinc/81/89/59/337818959.db2.gz SGDJSWBIKXTZQN-DTORHVGOSA-N -1 0 302.201 3.817 10 0 DHAERM O=C([O-])c1ccc(-c2cnc(Cl)s2)c(OC(F)F)c1 ZINC000725241197 563524775 /nfs/dbraw/zinc/52/47/75/563524775.db2.gz BIHOBUAJYHPCBW-UHFFFAOYSA-N -1 0 305.689 3.763 10 0 DHAERM CC(C)(C)OC(=O)C1(C(=O)[O-])CCC(c2ccccc2)CC1 ZINC000725243688 563525521 /nfs/dbraw/zinc/52/55/21/563525521.db2.gz CQWIONDRGMRQDC-UHFFFAOYSA-N -1 0 304.386 3.757 10 0 DHAERM CC(C)(C)[C@@H]1OC[C@@H](c2ccc(C(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC000725246794 563526777 /nfs/dbraw/zinc/52/67/77/563526777.db2.gz XFHXOZGTDGWHCT-YNEHKIRRSA-N -1 0 316.319 3.935 10 0 DHAERM Cc1cccc2c1N(C(=O)OC(C)(C)C)C[C@H](C)[C@H]2CC(=O)[O-] ZINC000725253854 563543821 /nfs/dbraw/zinc/54/38/21/563543821.db2.gz MQHPMLFCZTZBQK-GXTWGEPZSA-N -1 0 319.401 3.945 10 0 DHAERM C[C@@H]1C[C@@H](CC(=O)[O-])c2cccc(F)c2N1C(=O)OC(C)(C)C ZINC000725253957 563546257 /nfs/dbraw/zinc/54/62/57/563546257.db2.gz UNKJYLUIGVEKTO-MNOVXSKESA-N -1 0 323.364 3.918 10 0 DHAERM CC1(C)C[C@@H](C(=O)[O-])Sc2ccc(Br)cc21 ZINC000725255844 563559098 /nfs/dbraw/zinc/55/90/98/563559098.db2.gz OHCKDFAWMQWOEI-JTQLQIEISA-N -1 0 301.205 3.676 10 0 DHAERM CC[C@@H]1C[C@H](NC(=O)OCc2ccccc2)[C@](CC)(C(=O)[O-])C1 ZINC000685960030 563961318 /nfs/dbraw/zinc/96/13/18/563961318.db2.gz XUSQQKUJSXWBCR-QIIPPGSGSA-N -1 0 319.401 3.582 10 0 DHAERM COc1ccc2[nH]c(-c3ccc(F)cc3)c(CCC(=O)[O-])c2c1 ZINC000019725571 563961674 /nfs/dbraw/zinc/96/16/74/563961674.db2.gz IMNCSVSUEGCVBX-UHFFFAOYSA-N -1 0 313.328 4.000 10 0 DHAERM O=C([O-])C1(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CCC1 ZINC000169247564 949477831 /nfs/dbraw/zinc/47/78/31/949477831.db2.gz ASUXPBUMBFGZTQ-UHFFFAOYSA-N -1 0 321.682 3.552 10 0 DHAERM C[C@@H](Nc1ncc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000380436900 971699173 /nfs/dbraw/zinc/69/91/73/971699173.db2.gz BGHTVQSHDZEXCK-SSDOTTSWSA-N -1 0 312.156 3.655 10 0 DHAERM O=C([O-])c1csc(Sc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000380819180 971719842 /nfs/dbraw/zinc/71/98/42/971719842.db2.gz PFXUSWWBJYDDIE-UHFFFAOYSA-N -1 0 316.747 3.554 10 0 DHAERM O=C([O-])CCc1cccc(NC(=O)c2csc(Cl)c2)c1 ZINC000380889242 951196108 /nfs/dbraw/zinc/19/61/08/951196108.db2.gz LECWIGOEHDFKLE-UHFFFAOYSA-N -1 0 309.774 3.671 10 0 DHAERM O=C([O-])c1sccc1NC(=O)c1cccc2ccsc21 ZINC000386216881 972037122 /nfs/dbraw/zinc/03/71/22/972037122.db2.gz IWFGTEJIWCTTJU-UHFFFAOYSA-N -1 0 303.364 3.913 10 0 DHAERM CSc1ccccc1C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC000110775281 958397617 /nfs/dbraw/zinc/39/76/17/958397617.db2.gz CMYWPZHGJRNBQU-UHFFFAOYSA-N -1 0 307.396 3.729 10 0 DHAERM CC[C@H]1CC[C@@H](C)N1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000136336502 958898587 /nfs/dbraw/zinc/89/85/87/958898587.db2.gz QQHZEGUYWYYYQL-KCJUWKMLSA-N -1 0 310.419 3.858 10 0 DHAERM O=C([O-])c1ccc2c(c1)CN(Cc1cccc(F)c1Cl)C2 ZINC000156915440 959055804 /nfs/dbraw/zinc/05/58/04/959055804.db2.gz MWYPVHRFIIVNKH-UHFFFAOYSA-N -1 0 305.736 3.693 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc(F)c2Cl)s1 ZINC000165106227 959270556 /nfs/dbraw/zinc/27/05/56/959270556.db2.gz ATQJOBOIJGNSOZ-UHFFFAOYSA-N -1 0 313.737 3.800 10 0 DHAERM O=C([O-])c1ccc(SCc2cncc(Br)c2)cc1 ZINC000166769494 959321551 /nfs/dbraw/zinc/32/15/51/959321551.db2.gz JSBUYNWFPJPBJF-UHFFFAOYSA-N -1 0 324.199 3.835 10 0 DHAERM Cc1ccc(Cl)cc1C(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000212059926 959706945 /nfs/dbraw/zinc/70/69/45/959706945.db2.gz SKVXRWGXZCCEEQ-UHFFFAOYSA-N -1 0 307.708 3.738 10 0 DHAERM Cc1cc(NCc2cc(C(=O)[O-])co2)ccc1Br ZINC000228154118 959993893 /nfs/dbraw/zinc/99/38/93/959993893.db2.gz IFYQBTSWTLUMNU-UHFFFAOYSA-N -1 0 310.147 3.661 10 0 DHAERM Cc1ccc(Br)cc1OCc1ccc(C(=O)[O-])o1 ZINC000228322845 960010681 /nfs/dbraw/zinc/01/06/81/960010681.db2.gz ZVDJKSMNDQRQOP-UHFFFAOYSA-N -1 0 311.131 3.628 10 0 DHAERM Cc1csc(C(=O)Nc2ccccc2CC(=O)[O-])c1Cl ZINC000235967596 960537141 /nfs/dbraw/zinc/53/71/41/960537141.db2.gz JRCNHYRSMQWJLY-UHFFFAOYSA-N -1 0 309.774 3.589 10 0 DHAERM O=C([O-])c1ccc(NCc2ccc(F)cc2Br)cc1 ZINC000236468602 960645937 /nfs/dbraw/zinc/64/59/37/960645937.db2.gz AHRUDEHSGCYSLL-UHFFFAOYSA-N -1 0 324.149 3.899 10 0 DHAERM CC(C)(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000236654646 960724874 /nfs/dbraw/zinc/72/48/74/960724874.db2.gz ZKEKYGDAMWUNJT-AWEZNQCLSA-N -1 0 319.332 3.634 10 0 DHAERM CCCCN(CCCC)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000242413183 961172275 /nfs/dbraw/zinc/17/22/75/961172275.db2.gz BGRIRKAXBLLFCW-UHFFFAOYSA-N -1 0 306.406 3.748 10 0 DHAERM CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262088076 961447434 /nfs/dbraw/zinc/44/74/34/961447434.db2.gz LGOGNJABYCRTKJ-LSDHHAIUSA-N -1 0 303.402 3.983 10 0 DHAERM Cc1coc(CC(=O)[O-])c1C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000263024326 962133923 /nfs/dbraw/zinc/13/39/23/962133923.db2.gz UHKKCWKBKKWMTO-UHFFFAOYSA-N -1 0 321.417 3.550 10 0 DHAERM C[C@H]1CN(C(=O)CC2CCC(C(C)(C)C)CC2)CC[C@H]1C(=O)[O-] ZINC000263141396 962296208 /nfs/dbraw/zinc/29/62/08/962296208.db2.gz YKGGTKAPRGOISY-SLTXQBBLSA-N -1 0 323.477 3.798 10 0 DHAERM Cc1[nH]c(CNc2cccc(C)c2Br)cc1C(=O)[O-] ZINC000311541971 963488358 /nfs/dbraw/zinc/48/83/58/963488358.db2.gz JGGQSCKLXODEAI-UHFFFAOYSA-N -1 0 323.190 3.704 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)[C@@H]2CCCC(F)(F)C2)s1 ZINC000312127617 963536389 /nfs/dbraw/zinc/53/63/89/963536389.db2.gz HXIQMEJUAMRPAB-MRVPVSSYSA-N -1 0 303.330 3.519 10 0 DHAERM O=C([O-])c1sc(N[C@@H]2CCCc3ccccc32)nc1Cl ZINC000312643744 963580559 /nfs/dbraw/zinc/58/05/59/963580559.db2.gz INXIMJRYNDOMJF-SNVBAGLBSA-N -1 0 308.790 3.984 10 0 DHAERM CCc1cc(C(=O)[O-])c(NC(=O)c2csc(C)c2C)s1 ZINC000399820347 973241660 /nfs/dbraw/zinc/24/16/60/973241660.db2.gz DBRZVBPIXIFNJZ-UHFFFAOYSA-N -1 0 309.412 3.939 10 0 DHAERM O=C([O-])c1sc(NCC2CCC(F)(F)CC2)nc1Cl ZINC000693352731 976598916 /nfs/dbraw/zinc/59/89/16/976598916.db2.gz OEFWPZUNNYVONF-UHFFFAOYSA-N -1 0 310.753 3.732 10 0 DHAERM O=C([O-])CCCCOc1cc(Cl)ccc1Br ZINC000708098337 977415510 /nfs/dbraw/zinc/41/55/10/977415510.db2.gz JAPGKRAVLXRPIF-UHFFFAOYSA-N -1 0 307.571 3.736 10 0 DHAERM O=C([O-])c1ccc(Oc2cc(C(F)F)ncn2)c(Cl)c1 ZINC000724631550 978232781 /nfs/dbraw/zinc/23/27/81/978232781.db2.gz KEEZYEBYBOJPHW-UHFFFAOYSA-N -1 0 300.648 3.558 10 0 DHAERM CCCCc1ncc(CC(=O)[O-])n1Cc1ccccc1Cl ZINC000095613411 185382847 /nfs/dbraw/zinc/38/28/47/185382847.db2.gz IEZRFVYGWZLAFU-UHFFFAOYSA-N -1 0 306.793 3.555 10 0 DHAERM O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1Br ZINC000095829886 185384180 /nfs/dbraw/zinc/38/41/80/185384180.db2.gz GCXGPYGPWBPTDK-UHFFFAOYSA-N -1 0 308.946 3.935 10 0 DHAERM Cc1ccc(Br)cc1-c1nc(CC(=O)[O-])cs1 ZINC000083256816 185221918 /nfs/dbraw/zinc/22/19/18/185221918.db2.gz UTGHWAQYSSCPHJ-UHFFFAOYSA-N -1 0 312.188 3.508 10 0 DHAERM C[C@H](C(=O)[O-])c1ccc2c(c1)C(=O)c1ccc(Cl)cc1CO2 ZINC000169340370 197743675 /nfs/dbraw/zinc/74/36/75/197743675.db2.gz YPVCEFZRTOSUSF-VIFPVBQESA-N -1 0 316.740 3.652 10 0 DHAERM O=C([O-])c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)o1 ZINC000140684685 186027860 /nfs/dbraw/zinc/02/78/60/186027860.db2.gz JQKAHKAONOMQQA-UHFFFAOYSA-N -1 0 307.305 3.897 10 0 DHAERM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2)s1 ZINC000000570981 180824419 /nfs/dbraw/zinc/82/44/19/180824419.db2.gz ZDQYCFZAHYSYDL-UHFFFAOYSA-N -1 0 309.774 3.914 10 0 DHAERM O=C([O-])c1cc(Br)c(Cl)c(Br)c1 ZINC000001732283 180893081 /nfs/dbraw/zinc/89/30/81/180893081.db2.gz ZEFMINSOBLPVSY-UHFFFAOYSA-N -1 0 314.360 3.563 10 0 DHAERM CCc1nc(-c2ccc(Cl)cc2)nc(OCCC(=O)[O-])c1C ZINC000073662695 191339055 /nfs/dbraw/zinc/33/90/55/191339055.db2.gz XNRWHUBRKBMOMR-UHFFFAOYSA-N -1 0 320.776 3.521 10 0 DHAERM CCCc1cc(SCC(=O)[O-])nc(-c2ccc(C)cc2)n1 ZINC000073695535 191343082 /nfs/dbraw/zinc/34/30/82/191343082.db2.gz HVPFZHVQFCGOFC-UHFFFAOYSA-N -1 0 302.399 3.581 10 0 DHAERM CC[C@H]1C(c2ccc(OC(C)=O)cc2)=CC[C@@H](C(=O)[O-])[C@H]1C ZINC000005599138 181262483 /nfs/dbraw/zinc/26/24/83/181262483.db2.gz OULOHBXDGDQASL-IUIKQTSFSA-N -1 0 302.370 3.762 10 0 DHAERM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1c(Cl)cccc1Cl ZINC000006329032 181330211 /nfs/dbraw/zinc/33/02/11/181330211.db2.gz WDZRXRLYELJZMK-IUCAKERBSA-N -1 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CC(C)(C)c1ccc(S(=O)(=O)C=C([O-])c2cccs2)cc1 ZINC000019822533 182154170 /nfs/dbraw/zinc/15/41/70/182154170.db2.gz XZKQCZWBWQKCNA-UHFFFAOYSA-N -1 0 322.451 3.702 10 0 DHAERM Cc1cccc(C(=O)[O-])c1NC(=O)c1c(F)cccc1Cl ZINC000020020449 182179202 /nfs/dbraw/zinc/17/92/02/182179202.db2.gz OEWMYAJIHWWYBB-UHFFFAOYSA-N -1 0 307.708 3.738 10 0 DHAERM CC(=O)Nc1scc(-c2ccc3c(c2)CCCC3)c1C(=O)[O-] ZINC000020335758 182208911 /nfs/dbraw/zinc/20/89/11/182208911.db2.gz ZZZZZYYLGMXNQK-UHFFFAOYSA-N -1 0 315.394 3.951 10 0 DHAERM O=C([O-])c1c2c(sc1NC(=O)Nc1ccccc1)CCCC2 ZINC000020333436 182208971 /nfs/dbraw/zinc/20/89/71/182208971.db2.gz LIAZNBCTMMVHDO-UHFFFAOYSA-N -1 0 316.382 3.969 10 0 DHAERM CCCOc1ccc(-c2cc(C(=O)[O-])no2)cc1OCCC ZINC000036627026 182831521 /nfs/dbraw/zinc/83/15/21/182831521.db2.gz WQDKNUGERKWEBY-UHFFFAOYSA-N -1 0 305.330 3.617 10 0 DHAERM O=C([O-])[C@H](Nc1ccccc1F)c1ccc(Br)cc1 ZINC000037962861 182944030 /nfs/dbraw/zinc/94/40/30/182944030.db2.gz OGIWVXWNFHQKNC-CYBMUJFWSA-N -1 0 324.149 3.826 10 0 DHAERM C[C@H]1CCCN1c1cc(Br)ccc1/C=C/C(=O)[O-] ZINC000037911877 182936713 /nfs/dbraw/zinc/93/67/13/182936713.db2.gz XLCGPROKVAHZNQ-STUBTGCMSA-N -1 0 310.191 3.536 10 0 DHAERM O=C([O-])c1ccc2[nH]c(SCc3ccccc3F)nc2c1 ZINC000040166113 183042938 /nfs/dbraw/zinc/04/29/38/183042938.db2.gz KLBQXMQJPQCFTC-UHFFFAOYSA-N -1 0 302.330 3.693 10 0 DHAERM CC(C)(CCCOc1cccc(Br)c1)C(=O)[O-] ZINC000041511938 183196021 /nfs/dbraw/zinc/19/60/21/183196021.db2.gz MIGCNFDOLMBWNE-UHFFFAOYSA-N -1 0 301.180 3.719 10 0 DHAERM O=C([O-])[C@@H](Cc1ccc(Br)cc1)c1ccccc1 ZINC000041531815 183199023 /nfs/dbraw/zinc/19/90/23/183199023.db2.gz JRMYWKKZUAMXSF-AWEZNQCLSA-N -1 0 305.171 3.860 10 0 DHAERM CC(C)CCOc1c(Br)cccc1/C=C/C(=O)[O-] ZINC000042412623 183266218 /nfs/dbraw/zinc/26/62/18/183266218.db2.gz SEGMVECPINTHTG-VOTSOKGWSA-N -1 0 313.191 3.972 10 0 DHAERM CCCc1nc2cc(Cl)c(Cl)cc2n1CCC(=O)[O-] ZINC000057804863 184055076 /nfs/dbraw/zinc/05/50/76/184055076.db2.gz HOPSNBNJECCXNH-UHFFFAOYSA-N -1 0 301.173 3.770 10 0 DHAERM CCCC[C@H](Nc1nc(C)nc2sc(C)c(C)c21)C(=O)[O-] ZINC000058279645 184099033 /nfs/dbraw/zinc/09/90/33/184099033.db2.gz HNKPYKZCQSKTKQ-NSHDSACASA-N -1 0 307.419 3.672 10 0 DHAERM Cc1ccc(-n2nnc(C(=O)[O-])c2-c2cccc(Cl)c2)cc1 ZINC000062267545 184226419 /nfs/dbraw/zinc/22/64/19/184226419.db2.gz DAYBIMKQAVGQLF-UHFFFAOYSA-N -1 0 313.744 3.594 10 0 DHAERM CC(C)(C)CC(=O)Nc1c(Br)cccc1C(=O)[O-] ZINC000062826226 184254614 /nfs/dbraw/zinc/25/46/14/184254614.db2.gz KJVKEOPFNIRVMS-UHFFFAOYSA-N -1 0 314.179 3.522 10 0 DHAERM O=C([O-])c1cc(=O)[nH]cc1-c1ccc(OCc2ccccc2)cc1 ZINC000065349160 184326709 /nfs/dbraw/zinc/32/67/09/184326709.db2.gz NNGZVYUDEVUBBD-UHFFFAOYSA-N -1 0 321.332 3.731 10 0 DHAERM COC(=O)c1cc(-c2ccc(C(=O)[O-])cc2OC)ccc1Cl ZINC000065355030 184327686 /nfs/dbraw/zinc/32/76/86/184327686.db2.gz CHZNOKABTBUVBJ-UHFFFAOYSA-N -1 0 320.728 3.500 10 0 DHAERM COC(=O)c1cc(-c2ccc(F)cc2C(=O)[O-])ccc1Cl ZINC000065355023 184327878 /nfs/dbraw/zinc/32/78/78/184327878.db2.gz GJYILJPCHYQFMU-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM COc1ccc(C(F)(F)F)cc1-c1ccc(C(=O)[O-])cc1O ZINC000065355103 184328081 /nfs/dbraw/zinc/32/80/81/184328081.db2.gz XZDINZPXTKJDKW-UHFFFAOYSA-N -1 0 312.243 3.785 10 0 DHAERM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261790700 332354352 /nfs/dbraw/zinc/35/43/52/332354352.db2.gz XSSRPLCLVNNHNW-NSHDSACASA-N -1 0 309.793 3.504 10 0 DHAERM C[C@H](NC(=O)CC1(C(=O)[O-])CCC1)c1ccc(C(C)(C)C)cc1 ZINC000261935723 333394810 /nfs/dbraw/zinc/39/48/10/333394810.db2.gz TZCXMIUQEPAKJD-ZDUSSCGKSA-N -1 0 317.429 3.806 10 0 DHAERM CC(C)[C@@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000262163106 337615707 /nfs/dbraw/zinc/61/57/07/337615707.db2.gz NBVIVSNJPMAYNP-FZMZJTMJSA-N -1 0 311.809 3.654 10 0 DHAERM CC(C)c1ccc([C@@H](NC(=O)N(C)CCC(=O)[O-])C(C)C)cc1 ZINC000262923620 337622446 /nfs/dbraw/zinc/62/24/46/337622446.db2.gz FWGXVAVQVONLPX-KRWDZBQOSA-N -1 0 320.433 3.623 10 0 DHAERM Cc1cccc(C(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1Cl ZINC000262965743 337622633 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CC(C)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)Oc2ccccc21 ZINC000049453029 535126197 /nfs/dbraw/zinc/12/61/97/535126197.db2.gz MUGNYUYEWYUTFK-GZTJUZNOSA-N -1 0 323.348 3.560 10 0 DHAERM CC[C@H]1CCC[C@](CNC(=O)OCc2ccccc2)(C(=O)[O-])C1 ZINC000725244953 563526480 /nfs/dbraw/zinc/52/64/80/563526480.db2.gz OKYJBVYERJSWOW-KSSFIOAISA-N -1 0 319.401 3.584 10 0 DHAERM CC(=O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000014615238 563568470 /nfs/dbraw/zinc/56/84/70/563568470.db2.gz VUSNLFYUMKLEAV-BHIYHBOVSA-N -1 0 300.398 3.984 10 0 biogenic DHAERM Cc1cc(C(F)(F)Cl)nc(C(F)(F)Cl)c1C(=O)[O-] ZINC000675081491 563911499 /nfs/dbraw/zinc/91/14/99/563911499.db2.gz DZYJEDOCGNWCTB-UHFFFAOYSA-N -1 0 306.042 3.664 10 0 DHAERM CC(C)[C@H]1CCc2c(sc(Br)c2C(=O)[O-])C1 ZINC000132742166 563913043 /nfs/dbraw/zinc/91/30/43/563913043.db2.gz PHGUGQUQUCGHMB-ZETCQYMHSA-N -1 0 303.221 3.970 10 0 DHAERM O=C([O-])CCc1csc(-c2cc(Br)cs2)n1 ZINC000236429291 960585980 /nfs/dbraw/zinc/58/59/80/960585980.db2.gz 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ZINC000065355025 184328060 /nfs/dbraw/zinc/32/80/60/184328060.db2.gz RUIGKRQIHQRUPT-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM CCCC[C@H](NC(=O)/C=C\C(=O)[O-])c1cccc2ccccc21 ZINC000584605349 337371379 /nfs/dbraw/zinc/37/13/79/337371379.db2.gz KXAMYURUBQLWAI-QOHRORDFSA-N -1 0 311.381 3.828 10 0 DHAERM O=C([O-])C1=CC[C@H]2C(=C1)NC(Br)=C2C1CCCCC1 ZINC000584619186 337373333 /nfs/dbraw/zinc/37/33/33/337373333.db2.gz GVHAHTHVEFUMSJ-NSHDSACASA-N -1 0 324.218 3.691 10 0 DHAERM O=C([O-])c1[nH]c2cc(-c3cccnc3)ccc2c1Br ZINC000584618283 337373255 /nfs/dbraw/zinc/37/32/55/337373255.db2.gz FXKQATKUMROUEJ-UHFFFAOYSA-N -1 0 317.142 3.691 10 0 DHAERM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000261726188 337609190 /nfs/dbraw/zinc/60/91/90/337609190.db2.gz XPFPJPNGESYRFD-YPMHNXCESA-N -1 0 307.390 3.581 10 0 DHAERM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000263174238 341536047 /nfs/dbraw/zinc/53/60/47/341536047.db2.gz SLWMQBWSMNMDIB-QWHCGFSZSA-N -1 0 318.417 3.559 10 0 DHAERM CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000179981608 518894771 /nfs/dbraw/zinc/89/47/71/518894771.db2.gz IUSLAKXANGBFCU-OLZOCXBDSA-N -1 0 319.401 3.693 10 0 DHAERM CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC(=O)[O-])c1ccccc1 ZINC000072208543 519797784 /nfs/dbraw/zinc/79/77/84/519797784.db2.gz WUOQCLVODCOQDY-GOEBONIOSA-N -1 0 321.417 3.794 10 0 DHAERM CC(C)[C@@H](NC(=O)OC(C)(C)C)/C(=C/C(=O)[O-])c1ccccc1 ZINC000072208530 519797860 /nfs/dbraw/zinc/79/78/60/519797860.db2.gz CAQHVIHZJGJQBL-WSYSLRRZSA-N -1 0 319.401 3.704 10 0 DHAERM C[C@@H]1CSCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000191239071 525166593 /nfs/dbraw/zinc/16/65/93/525166593.db2.gz DTQUNZOHHSEABQ-QMMMGPOBSA-N -1 0 320.241 3.524 10 0 DHAERM C[C@@H]1CCC[C@@](CNC(=O)OCc2ccccc2)(C(=O)[O-])CC1 ZINC000725244558 563525645 /nfs/dbraw/zinc/52/56/45/563525645.db2.gz JLAIHDLOSRKDAO-RDTXWAMCSA-N -1 0 319.401 3.584 10 0 DHAERM CC1(C)CCC[C@](CNC(=O)OCc2ccccc2)(C(=O)[O-])C1 ZINC000725245163 563526206 /nfs/dbraw/zinc/52/62/06/563526206.db2.gz QRKUKHLMIICRLQ-SFHVURJKSA-N -1 0 319.401 3.584 10 0 DHAERM C[C@H](CCc1ccccc1)C[C@H](CNC(=O)C(C)(C)C)C(=O)[O-] ZINC000725246137 563526239 /nfs/dbraw/zinc/52/62/39/563526239.db2.gz KRLDCCYBOQEZIO-GDBMZVCRSA-N -1 0 319.445 3.509 10 0 DHAERM Cc1ccc([C@@]2(CC(=O)[O-])C[C@@H](F)C2)cc1Br ZINC000725259040 563565604 /nfs/dbraw/zinc/56/56/04/563565604.db2.gz RDWMFVKDLNKVDA-GSJFWJNXSA-N -1 0 301.155 3.602 10 0 DHAERM C/C(=C/COc1cc(F)c(Br)cc1Cl)C(=O)[O-] ZINC000304260728 963132736 /nfs/dbraw/zinc/13/27/36/963132736.db2.gz BTASBGKCGVFKDA-KXFIGUGUSA-N -1 0 323.545 3.651 10 0 DHAERM O=C([O-])c1cnc(Sc2ccc(Cl)cc2Cl)nc1 ZINC000322740551 970924115 /nfs/dbraw/zinc/92/41/15/970924115.db2.gz ZZRWUULQQIACTL-UHFFFAOYSA-N -1 0 301.154 3.633 10 0 DHAERM CCN(Cc1ccccc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000381825942 971780788 /nfs/dbraw/zinc/78/07/88/971780788.db2.gz MHWUCDBMOWZJKH-UHFFFAOYSA-N -1 0 316.332 3.578 10 0 DHAERM O=C([O-])c1cc(Br)ccc1OCC1CC(F)(F)C1 ZINC000383496697 971872976 /nfs/dbraw/zinc/87/29/76/971872976.db2.gz HCSVCQPSYYFPMR-UHFFFAOYSA-N -1 0 321.117 3.571 10 0 DHAERM Cc1ccc(C(=O)[O-])cc1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000383630442 971882421 /nfs/dbraw/zinc/88/24/21/971882421.db2.gz ISJXBBDSYAVWTB-UHFFFAOYSA-N -1 0 324.380 3.890 10 0 DHAERM Cc1ccc(NC(=O)N(Cc2ccccc2)C2CC2)c(C(=O)[O-])c1 ZINC000383662940 971886229 /nfs/dbraw/zinc/88/62/29/971886229.db2.gz QYIPHTRYYQSOKD-UHFFFAOYSA-N -1 0 324.380 3.890 10 0 DHAERM O=C([O-])c1cnoc1CSc1cccc(C(F)(F)F)c1 ZINC000383815944 971895567 /nfs/dbraw/zinc/89/55/67/971895567.db2.gz QLCIWMOUDPXCCJ-UHFFFAOYSA-N -1 0 303.261 3.684 10 0 DHAERM CC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000111279237 958421677 /nfs/dbraw/zinc/42/16/77/958421677.db2.gz JACNIQQWPUIDJH-JTQLQIEISA-N -1 0 310.781 3.835 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)C1CCC(F)(F)CC1 ZINC000128131724 958635027 /nfs/dbraw/zinc/63/50/27/958635027.db2.gz MNIILGHUMUZGIR-UHFFFAOYSA-N -1 0 303.330 3.519 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(Cl)s1 ZINC000128143112 958636587 /nfs/dbraw/zinc/63/65/87/958636587.db2.gz VSTLOCSBJKEGME-UHFFFAOYSA-N -1 0 301.776 3.722 10 0 DHAERM CSc1ccc(C(=O)Nc2c(C)csc2C(=O)[O-])cc1 ZINC000128159270 958638250 /nfs/dbraw/zinc/63/82/50/958638250.db2.gz KWUCSYDYXUBMFS-UHFFFAOYSA-N -1 0 307.396 3.729 10 0 DHAERM Cc1cc(Cl)c(NC(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000128441271 958660121 /nfs/dbraw/zinc/66/01/21/958660121.db2.gz YYVHCLJEMMMKQU-UHFFFAOYSA-N -1 0 314.124 3.845 10 0 DHAERM C[C@@H]1c2ccsc2CCN1c1nc(Cl)c(C(=O)[O-])s1 ZINC000128999917 958688967 /nfs/dbraw/zinc/68/89/67/958688967.db2.gz NHYQADRBNAFDFM-ZCFIWIBFSA-N -1 0 314.819 3.680 10 0 DHAERM CC[C@H]1CC[C@H](C)N1C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000136336409 958898367 /nfs/dbraw/zinc/89/83/67/958898367.db2.gz QQHZEGUYWYYYQL-KWQFWETISA-N -1 0 310.419 3.858 10 0 DHAERM Cc1ccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000136730926 958909247 /nfs/dbraw/zinc/90/92/47/958909247.db2.gz JFHXLSUEENZTOB-GFCCVEGCSA-N -1 0 312.797 3.659 10 0 DHAERM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1Cl ZINC000160221802 959140364 /nfs/dbraw/zinc/14/03/64/959140364.db2.gz IUMJFKFXWCXEEC-UHFFFAOYSA-N -1 0 303.745 3.907 10 0 DHAERM O=C([O-])c1ccccc1OCCOc1c(F)cccc1Cl ZINC000162833164 959219104 /nfs/dbraw/zinc/21/91/04/959219104.db2.gz RTHABDMZIDQOBS-UHFFFAOYSA-N -1 0 310.708 3.635 10 0 DHAERM CN(C(=O)c1ccc2ccccc2c1)C1(C(=O)[O-])CCCCC1 ZINC000191315015 959552846 /nfs/dbraw/zinc/55/28/46/959552846.db2.gz BLSTXDCCRMXYNG-UHFFFAOYSA-N -1 0 311.381 3.699 10 0 DHAERM O=C([O-])c1ccsc1NC(=O)/C=C\c1ccccc1Cl ZINC000208503722 959669908 /nfs/dbraw/zinc/66/99/08/959669908.db2.gz HLFUWGNUOBIRRC-WAYWQWQTSA-N -1 0 307.758 3.752 10 0 DHAERM Cc1cc(Br)cc(NCc2ccoc2C(=O)[O-])c1 ZINC000232071833 960242094 /nfs/dbraw/zinc/24/20/94/960242094.db2.gz ITRZGLJJHRDDOQ-UHFFFAOYSA-N -1 0 310.147 3.661 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(Cl)cc1C ZINC000235835013 960510848 /nfs/dbraw/zinc/51/08/48/960510848.db2.gz RZZGRPRIXCQQDQ-UHFFFAOYSA-N -1 0 309.774 3.969 10 0 DHAERM CCc1cccc(CC)c1NC(=S)NCCCCCC(=O)[O-] ZINC000244044330 961184603 /nfs/dbraw/zinc/18/46/03/961184603.db2.gz SYKNHZAPVGDLJS-UHFFFAOYSA-N -1 0 322.474 3.743 10 0 DHAERM CCC(CC)(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262266094 961605209 /nfs/dbraw/zinc/60/52/09/961605209.db2.gz YBPFPIXYNACNAJ-UONOGXRCSA-N -1 0 323.820 3.582 10 0 DHAERM O=C([O-])c1ccc(Oc2ccc(OCc3ccccc3)cc2)nn1 ZINC000302872875 963103834 /nfs/dbraw/zinc/10/38/34/963103834.db2.gz YIJRFNGATHOABC-UHFFFAOYSA-N -1 0 322.320 3.546 10 0 DHAERM C/C(=C/C(=O)[O-])COc1ccc(Br)c(Cl)c1 ZINC000313514504 963654445 /nfs/dbraw/zinc/65/44/45/963654445.db2.gz YUUOGQDGVILCBX-DAXSKMNVSA-N -1 0 305.555 3.512 10 0 DHAERM CC[C@@H](C)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000400360699 973266748 /nfs/dbraw/zinc/26/67/48/973266748.db2.gz ADQNHEVAKIKADA-PELKAZGASA-N -1 0 318.200 3.613 10 0 DHAERM CC[C@@H](C)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000400360701 973266843 /nfs/dbraw/zinc/26/68/43/973266843.db2.gz ADQNHEVAKIKADA-PRHODGIISA-N -1 0 318.200 3.613 10 0 DHAERM CCOc1ccccc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692445620 976481011 /nfs/dbraw/zinc/48/10/11/976481011.db2.gz ODCHKKJHSJVOJJ-UHFFFAOYSA-N -1 0 313.397 3.562 10 0 DHAERM CC[C@H](CC(C)C)C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000692446985 976482745 /nfs/dbraw/zinc/48/27/45/976482745.db2.gz XGHIIPMTXIKMKO-MRXNPFEDSA-N -1 0 305.418 3.562 10 0 DHAERM O=C([O-])c1sc(N2CCC[C@H](C3CCC3)C2)nc1Cl ZINC000692960450 976552055 /nfs/dbraw/zinc/55/20/55/976552055.db2.gz BRFMTHOQRNMAJG-VIFPVBQESA-N -1 0 300.811 3.511 10 0 DHAERM CC[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccccc1)C(C)(C)C ZINC000711191120 977530532 /nfs/dbraw/zinc/53/05/32/977530532.db2.gz MHDRYQDGNCMRHD-INIZCTEOSA-N -1 0 319.445 3.952 10 0 DHAERM Cc1cc(NC(=O)C[C@@H]2CCCC2(F)F)sc1C(=O)[O-] ZINC000714129078 977663087 /nfs/dbraw/zinc/66/30/87/977663087.db2.gz FDCBHGDJVLMJIM-QMMMGPOBSA-N -1 0 303.330 3.519 10 0 DHAERM CC(C)c1ccc(C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000095749312 185383764 /nfs/dbraw/zinc/38/37/64/185383764.db2.gz NJTNBHQHHUMGGT-HNNXBMFYSA-N -1 0 321.417 3.578 10 0 DHAERM Cc1ccc(-c2oc3ccccc3c(=O)c2O[C@H](C)C(=O)[O-])cc1 ZINC000001978291 180904867 /nfs/dbraw/zinc/90/48/67/180904867.db2.gz XSVDMOSLSQUQDO-GFCCVEGCSA-N -1 0 324.332 3.620 10 0 DHAERM Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])[C@@H](C)c2ccccc2)cc1 ZINC000003646752 181043665 /nfs/dbraw/zinc/04/36/65/181043665.db2.gz YLXARGBCYOPDSD-YOEHRIQHSA-N -1 0 311.381 3.828 10 0 DHAERM Cc1ccc(-c2cc(OCC(=O)[O-])nc(-c3ccccc3)n2)cc1 ZINC000073696437 191343077 /nfs/dbraw/zinc/34/30/77/191343077.db2.gz NSVRKNCUMQXCGC-UHFFFAOYSA-N -1 0 320.348 3.582 10 0 DHAERM Cc1cccc(NC(=O)CSCc2cccc(C(=O)[O-])c2)c1 ZINC000005555761 181256744 /nfs/dbraw/zinc/25/67/44/181256744.db2.gz JCTIZISSMURIRQ-UHFFFAOYSA-N -1 0 315.394 3.565 10 0 DHAERM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1c(Cl)cccc1Cl ZINC000006329014 181330423 /nfs/dbraw/zinc/33/04/23/181330423.db2.gz AIKKMVKMGSOKLE-RKDXNWHRSA-N -1 0 314.168 3.599 10 0 DHAERM C[C@H](Oc1ccc(-c2ccccc2)cc1Br)C(=O)[O-] ZINC000011993986 181722632 /nfs/dbraw/zinc/72/26/32/181722632.db2.gz JZTYXJPOZIETMJ-JTQLQIEISA-N -1 0 321.170 3.968 10 0 DHAERM O=C([O-])CCCC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000016481591 182046847 /nfs/dbraw/zinc/04/68/47/182046847.db2.gz JIFXSNIQAZOOHR-UHFFFAOYSA-N -1 0 309.671 3.552 10 0 DHAERM O=C(Nc1sc2c(c1C(=O)[O-])CCCC2)NC1CCCCC1 ZINC000020333434 182209040 /nfs/dbraw/zinc/20/90/40/182209040.db2.gz FSKZNPBLRAISNX-UHFFFAOYSA-N -1 0 322.430 3.779 10 0 DHAERM Cc1c(C(=O)[O-])oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000021522877 182278615 /nfs/dbraw/zinc/27/86/15/182278615.db2.gz WVENXGMEKGFBCT-UHFFFAOYSA-N -1 0 300.310 3.717 10 0 DHAERM C[C@@H](Oc1ccc(-c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000021959202 182300313 /nfs/dbraw/zinc/30/03/13/182300313.db2.gz ISQYAFGHWYJBAD-SNVBAGLBSA-N -1 0 321.170 3.968 10 0 DHAERM Cc1nc(C)c(C(=O)[O-])c(SCc2ccc(Cl)cc2)n1 ZINC000021959309 182300490 /nfs/dbraw/zinc/30/04/90/182300490.db2.gz SHESMRNURIAPJZ-UHFFFAOYSA-N -1 0 308.790 3.737 10 0 DHAERM Cc1onc(C(=O)[O-])c1COc1cc(Cl)ccc1Cl ZINC000024549212 182383052 /nfs/dbraw/zinc/38/30/52/182383052.db2.gz GBLDNEUXPMDHLL-UHFFFAOYSA-N -1 0 302.113 3.567 10 0 DHAERM O=C([O-])[C@H](Nc1ccc(Br)cc1)[C@@H]1CC=CCC1 ZINC000037960358 182943281 /nfs/dbraw/zinc/94/32/81/182943281.db2.gz NQXWZIFEJLUENG-ZWNOBZJWSA-N -1 0 310.191 3.671 10 0 DHAERM O=C([O-])CCCCCc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000039219678 183015118 /nfs/dbraw/zinc/01/51/18/183015118.db2.gz DMSJXWKXCAUBHC-UHFFFAOYSA-N -1 0 324.376 3.998 10 0 DHAERM CCCn1c(COc2ccccc2)nc2cc(C(=O)[O-])ccc21 ZINC000040417482 183063788 /nfs/dbraw/zinc/06/37/88/183063788.db2.gz LEEMXEYPZMWRHI-UHFFFAOYSA-N -1 0 310.353 3.724 10 0 DHAERM CCc1nc(-c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000041562956 183202031 /nfs/dbraw/zinc/20/20/31/183202031.db2.gz HTXTWFGEEGAHDQ-UHFFFAOYSA-N -1 0 312.188 3.833 10 0 DHAERM CCc1nc(-c2cccc(Br)c2)sc1C(=O)[O-] ZINC000041562949 183202106 /nfs/dbraw/zinc/20/21/06/183202106.db2.gz VKKCPOZRPNSOBV-UHFFFAOYSA-N -1 0 312.188 3.833 10 0 DHAERM O=C([O-])C[C@@H](NC(=O)c1ccc(C2CCC2)cc1)c1ccccc1 ZINC000192845561 335039906 /nfs/dbraw/zinc/03/99/06/335039906.db2.gz IUULYQLYODTXFW-GOSISDBHSA-N -1 0 323.392 3.900 10 0 DHAERM Cc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccc(Cl)cc1 ZINC000062267560 184226518 /nfs/dbraw/zinc/22/65/18/184226518.db2.gz ONVQONKPGAEZST-UHFFFAOYSA-N -1 0 313.744 3.594 10 0 DHAERM COc1ncc(-c2cccc(C(F)(F)F)c2F)cc1C(=O)[O-] ZINC000065348927 184326277 /nfs/dbraw/zinc/32/62/77/184326277.db2.gz HBNFQODLZGMXLB-UHFFFAOYSA-N -1 0 315.222 3.613 10 0 DHAERM O=C([O-])c1cc(-c2cccc(OCc3ccccc3)c2)c[nH]c1=O ZINC000065349143 184326462 /nfs/dbraw/zinc/32/64/62/184326462.db2.gz XOSXJNZEKPNDQA-UHFFFAOYSA-N -1 0 321.332 3.731 10 0 DHAERM COC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2F)cc1Cl ZINC000065354996 184327312 /nfs/dbraw/zinc/32/73/12/184327312.db2.gz XINBBSLUICJYKK-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM COC(=O)c1cc(-c2ccc(OC)cc2C(=O)[O-])ccc1Cl ZINC000065355032 184327772 /nfs/dbraw/zinc/32/77/72/184327772.db2.gz HSEOUEDTKKGNHP-UHFFFAOYSA-N -1 0 320.728 3.500 10 0 DHAERM Cn1nc2c(cccc2C(F)(F)F)c1-c1ccc(O)cc1O ZINC000504630097 257143168 /nfs/dbraw/zinc/14/31/68/257143168.db2.gz KMFNFDJWIBXPJO-UHFFFAOYSA-N -1 0 308.259 3.670 10 0 DHAERM CC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CCS1 ZINC000175603100 332896732 /nfs/dbraw/zinc/89/67/32/332896732.db2.gz OMHQATHIPDUDPP-QMMMGPOBSA-N -1 0 320.241 3.667 10 0 DHAERM CCC[C@@H](CNC(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000262143444 332381824 /nfs/dbraw/zinc/38/18/24/332381824.db2.gz MNSLCJBXQUCQDY-JTQLQIEISA-N -1 0 323.776 3.625 10 0 DHAERM CC(C)OCCCCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000180933465 333028837 /nfs/dbraw/zinc/02/88/37/333028837.db2.gz UTVGYLFYDNFNBY-UHFFFAOYSA-N -1 0 320.216 3.634 10 0 DHAERM O=C([O-])c1cnc(Cl)cc1-c1ccc(C(F)(F)F)nc1 ZINC000584613194 337372571 /nfs/dbraw/zinc/37/25/71/337372571.db2.gz NOXKGMKAUSHKNZ-UHFFFAOYSA-N -1 0 302.639 3.514 10 0 DHAERM O=C([O-])[C@@H](c1ccc(Br)cc1F)C1CCCC1 ZINC000584595275 337373988 /nfs/dbraw/zinc/37/39/88/337373988.db2.gz GHQYFGQVCVYQBU-GFCCVEGCSA-N -1 0 301.155 3.947 10 0 DHAERM O=C([O-])c1cnc2c(cccc2OCc2c(F)cccc2F)c1 ZINC000584635044 337374733 /nfs/dbraw/zinc/37/47/33/337374733.db2.gz KJOKZONYPIJTTA-UHFFFAOYSA-N -1 0 315.275 3.790 10 0 DHAERM O=C([O-])C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1cccc2ccccc21 ZINC000263052446 337623685 /nfs/dbraw/zinc/62/36/85/337623685.db2.gz OALKOFUGAKEGOZ-RCCFBDPRSA-N -1 0 323.392 3.518 10 0 DHAERM O=C([O-])c1ccc(CC(=O)NC2(c3ccccc3)CCCC2)cc1 ZINC000263321527 337626442 /nfs/dbraw/zinc/62/64/42/337626442.db2.gz JAXKDOWLQIJJDV-UHFFFAOYSA-N -1 0 323.392 3.513 10 0 DHAERM C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(Cl)s1 ZINC000135826700 341246521 /nfs/dbraw/zinc/24/65/21/341246521.db2.gz MJRWHVWQYRLFII-SECBINFHSA-N -1 0 323.801 3.520 10 0 DHAERM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](CC(=O)[O-])c1ccccc1 ZINC000072208546 518807941 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CCc1cc(C(=O)[O-])c(NC(=O)C[C@H](C)C(F)(F)F)s1 ZINC000705442479 977278472 /nfs/dbraw/zinc/27/84/72/977278472.db2.gz ZICCJBPPPLFLLT-LURJTMIESA-N -1 0 309.309 3.536 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)C[C@@H]1CCCC1(F)F ZINC000714129082 977663103 /nfs/dbraw/zinc/66/31/03/977663103.db2.gz FFMHRVCLXAFRLB-QMMMGPOBSA-N -1 0 303.330 3.519 10 0 DHAERM O=C([O-])c1sc(NCC2C[C@H]3CC[C@@H](C2)S3)nc1Cl ZINC000716071150 977806956 /nfs/dbraw/zinc/80/69/56/977806956.db2.gz UUGITDAFGNBVOB-IEESLHIDSA-N -1 0 318.851 3.581 10 0 DHAERM CC(C)c1ccc(C[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000095749313 185383855 /nfs/dbraw/zinc/38/38/55/185383855.db2.gz NJTNBHQHHUMGGT-OAHLLOKOSA-N -1 0 321.417 3.578 10 0 DHAERM O=C([O-])[C@H]1CCC[C@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000002579594 180937291 /nfs/dbraw/zinc/93/72/91/180937291.db2.gz BCCWSJZUORSYGK-CABZTGNLSA-N -1 0 300.276 3.779 10 0 DHAERM CC/C=C\C/C=C\C/C=C\[C@H](O)[C@H](O)CCCCCC(=O)[O-] ZINC000004097382 181072401 /nfs/dbraw/zinc/07/24/01/181072401.db2.gz VWKNCZXDXPBMJN-SEACIKGESA-N -1 0 310.434 3.602 10 0 in-vitro DHAERM CC(C)c1cc(OCCC(=O)[O-])nc(-c2cccc(Cl)c2)n1 ZINC000073662588 191338791 /nfs/dbraw/zinc/33/87/91/191338791.db2.gz XLCAVWNIDHKENV-UHFFFAOYSA-N -1 0 320.776 3.774 10 0 DHAERM CCc1c(C)nc(-c2cccc(Cl)c2)nc1OCCC(=O)[O-] ZINC000073662596 191339066 /nfs/dbraw/zinc/33/90/66/191339066.db2.gz OOTROGVAGGRFCK-UHFFFAOYSA-N -1 0 320.776 3.521 10 0 DHAERM CCCc1cc(SCC(=O)[O-])nc(-c2ccc(Cl)cc2)n1 ZINC000073695786 191342652 /nfs/dbraw/zinc/34/26/52/191342652.db2.gz TUQGPEDSMFEHJX-UHFFFAOYSA-N -1 0 322.817 3.926 10 0 DHAERM CC(C)c1cc(SCC(=O)[O-])nc(-c2ccc(F)cc2)n1 ZINC000073695749 191343136 /nfs/dbraw/zinc/34/31/36/191343136.db2.gz VFJPUHVODAIPJI-UHFFFAOYSA-N -1 0 306.362 3.583 10 0 DHAERM CC(C)(C)c1ccc(OCCc2nc(CC(=O)[O-])cs2)cc1 ZINC000005592723 181261754 /nfs/dbraw/zinc/26/17/54/181261754.db2.gz FEPICNJXTXDAAT-UHFFFAOYSA-N -1 0 319.426 3.689 10 0 DHAERM Cc1cc(C)cc(NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000005894520 181293634 /nfs/dbraw/zinc/29/36/34/181293634.db2.gz KGMPPGJJFJADEX-UHFFFAOYSA-N -1 0 300.383 3.811 10 0 DHAERM CCOc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1Cl ZINC000018051166 182090243 /nfs/dbraw/zinc/09/02/43/182090243.db2.gz WEQMRNAPYBYCAF-UHFFFAOYSA-N -1 0 319.744 3.689 10 0 DHAERM O=C([O-])c1ccnc(NCCc2ccc(Cl)cc2Cl)c1 ZINC000019232767 182109974 /nfs/dbraw/zinc/10/99/74/182109974.db2.gz JLDPVNNCSNFHIA-UHFFFAOYSA-N -1 0 311.168 3.741 10 0 DHAERM CC[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)[O-] ZINC000032918266 182679762 /nfs/dbraw/zinc/67/97/62/182679762.db2.gz CLHRXKUPWADEKW-KRWDZBQOSA-N -1 0 308.337 3.539 10 0 DHAERM CC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(C)cc1 ZINC000032917397 182680191 /nfs/dbraw/zinc/68/01/91/182680191.db2.gz QUJCZECBBFWDSY-UHFFFAOYSA-N -1 0 301.367 3.803 10 0 DHAERM CC(C)C[C@](C)(Nc1ccccc1Br)C(=O)[O-] ZINC000037959748 182942774 /nfs/dbraw/zinc/94/27/74/182942774.db2.gz WSWOXXXHVGYPKW-ZDUSSCGKSA-N -1 0 300.196 3.750 10 0 DHAERM O=C([O-])[C@H](Nc1ccccc1Br)c1ccsc1 ZINC000037959829 182942829 /nfs/dbraw/zinc/94/28/29/182942829.db2.gz VEEFHASFXQMHRU-LLVKDONJSA-N -1 0 312.188 3.748 10 0 DHAERM Cc1ccc([C@@H](Nc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000037960305 182943336 /nfs/dbraw/zinc/94/33/36/182943336.db2.gz YOQKJWSSHYIMEV-CQSZACIVSA-N -1 0 320.186 3.995 10 0 DHAERM CC(C)C[C@](C)(Nc1cccc(Br)c1)C(=O)[O-] ZINC000037960629 182943417 /nfs/dbraw/zinc/94/34/17/182943417.db2.gz PVJPTRYDSRXSIJ-ZDUSSCGKSA-N -1 0 300.196 3.750 10 0 DHAERM Nc1ccc(Sc2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000037933806 182939247 /nfs/dbraw/zinc/93/92/47/182939247.db2.gz ONXWDGVDQQKMEJ-UHFFFAOYSA-N -1 0 324.199 3.881 10 0 DHAERM COCCCn1c2ccc(C(=O)[O-])cc2nc1C1CCCCC1 ZINC000040402716 183061754 /nfs/dbraw/zinc/06/17/54/183061754.db2.gz VZWAGBPSGKVVIA-UHFFFAOYSA-N -1 0 316.401 3.819 10 0 DHAERM O=C([O-])[C@@H](Cc1ccccc1)c1ccc(Br)cc1 ZINC000041531824 183199016 /nfs/dbraw/zinc/19/90/16/183199016.db2.gz MQHYRWFYQOTPPE-AWEZNQCLSA-N -1 0 305.171 3.860 10 0 DHAERM COc1ccccc1Cc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000062491270 184239862 /nfs/dbraw/zinc/23/98/62/184239862.db2.gz UOIPNBLIIKQXMM-UHFFFAOYSA-N -1 0 305.399 3.738 10 0 DHAERM O=C([O-])C[C@H](c1ccc(F)c(Br)c1)C(F)(F)F ZINC000062943886 184261885 /nfs/dbraw/zinc/26/18/85/184261885.db2.gz JFALVEZOASMBRK-ZCFIWIBFSA-N -1 0 315.060 3.709 10 0 DHAERM CC(C)(C)OC(=O)Nc1cccc(-c2ncccc2C(=O)[O-])c1 ZINC000065349235 184326579 /nfs/dbraw/zinc/32/65/79/184326579.db2.gz UJSFLNFNBZJOEY-UHFFFAOYSA-N -1 0 314.341 3.794 10 0 DHAERM O=C([O-])c1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1O ZINC000065354853 184327421 /nfs/dbraw/zinc/32/74/21/184327421.db2.gz YFQFBEXEXBSMLW-UHFFFAOYSA-N -1 0 300.207 3.915 10 0 DHAERM COC(=O)c1cc(-c2cc(OC)cc(C(=O)[O-])c2)ccc1Cl ZINC000065355033 184327697 /nfs/dbraw/zinc/32/76/97/184327697.db2.gz IFZPRRLSWUSWLL-UHFFFAOYSA-N -1 0 320.728 3.500 10 0 DHAERM Cc1cc(Br)c2ccnc(C(=O)[O-])c2c1Cl ZINC000521401658 257234144 /nfs/dbraw/zinc/23/41/44/257234144.db2.gz YWXCPMXEROZQCK-UHFFFAOYSA-N -1 0 300.539 3.657 10 0 DHAERM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000120235489 132143361 /nfs/dbraw/zinc/14/33/61/132143361.db2.gz UBZZDYOGPZMBDJ-CVEARBPZSA-N -1 0 309.365 3.744 10 0 DHAERM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000042337182 332242218 /nfs/dbraw/zinc/24/22/18/332242218.db2.gz OSYLNGXGJHIOPO-QMMMGPOBSA-N -1 0 309.774 3.591 10 0 DHAERM C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC000042337195 332242235 /nfs/dbraw/zinc/24/22/35/332242235.db2.gz INFUELBIKNBPRJ-QMMMGPOBSA-N -1 0 309.774 3.591 10 0 DHAERM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)s1 ZINC000177047545 332968265 /nfs/dbraw/zinc/96/82/65/332968265.db2.gz VBHYHLYQDZDCGT-LURJTMIESA-N -1 0 317.744 3.876 10 0 DHAERM Cc1nc(-c2ccc(Cc3cc(C(=O)[O-])ncc3C)cc2)co1 ZINC000584630088 337376750 /nfs/dbraw/zinc/37/67/50/337376750.db2.gz VYKGJTBGAKHJCE-UHFFFAOYSA-N -1 0 308.337 3.642 10 0 DHAERM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(Cl)s2)s[n-]1 ZINC000336790629 337398795 /nfs/dbraw/zinc/39/87/95/337398795.db2.gz XPDCIKUXWVLSGC-RNFRBKRXSA-N -1 0 303.840 3.555 10 0 DHAERM CCc1oc(C(=O)Nc2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000261664482 337607781 /nfs/dbraw/zinc/60/77/81/337607781.db2.gz OGYDCSQFGSAOPE-UHFFFAOYSA-N -1 0 317.341 3.580 10 0 DHAERM CC(C)c1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000262290231 337616483 /nfs/dbraw/zinc/61/64/83/337616483.db2.gz BKQWCXQIFBTRQP-LLVKDONJSA-N -1 0 301.342 3.592 10 0 DHAERM C[C@H](Cc1ccc(NC(=O)[C@H]2CCc3ccccc32)cc1)C(=O)[O-] ZINC000262729090 337620880 /nfs/dbraw/zinc/62/08/80/337620880.db2.gz HBOOQIHWBSUELU-ACJLOTCBSA-N -1 0 323.392 3.618 10 0 DHAERM Cc1cccc2cc(C(=O)N(C)C3(C(=O)[O-])CCCCC3)oc21 ZINC000262736719 337620934 /nfs/dbraw/zinc/62/09/34/337620934.db2.gz HUMCSEWQMURSHE-UHFFFAOYSA-N -1 0 315.369 3.601 10 0 DHAERM C[C@@H](CN(C)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000262886550 337622142 /nfs/dbraw/zinc/62/21/42/337622142.db2.gz BNYHIEUBECUYHD-ZFWWWQNUSA-N -1 0 320.433 3.526 10 0 DHAERM CCC[C@H](CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1)C(=O)[O-] ZINC000263248810 337625806 /nfs/dbraw/zinc/62/58/06/337625806.db2.gz UYRCMDBRWBAKOJ-IKGGRYGDSA-N -1 0 317.429 3.531 10 0 DHAERM C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCS1 ZINC000080024504 341268726 /nfs/dbraw/zinc/26/87/26/341268726.db2.gz CZMGRQJEBXYVGY-JTQLQIEISA-N -1 0 321.829 3.776 10 0 DHAERM COC[C@@H](C)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000182976455 522176094 /nfs/dbraw/zinc/17/60/94/522176094.db2.gz HCAIYVQGJLLFAI-RXMQYKEDSA-N -1 0 312.580 3.573 10 0 DHAERM Cc1c2cccc(Cl)c2oc1C(=O)NC(C)(C)CCC(=O)[O-] ZINC000262680148 525971464 /nfs/dbraw/zinc/97/14/64/525971464.db2.gz ZNWKCGMOCZNUDQ-UHFFFAOYSA-N -1 0 323.776 3.768 10 0 DHAERM Cc1coc(CC(=O)[O-])c1C(=O)NCCCCCCC(C)C ZINC000262843533 526288597 /nfs/dbraw/zinc/28/85/97/526288597.db2.gz CLZUUBNPNWKENM-UHFFFAOYSA-N -1 0 309.406 3.551 10 0 DHAERM O=C([O-])c1cc(C(F)(F)F)nc2ccc(Br)cc21 ZINC000026460449 526344446 /nfs/dbraw/zinc/34/44/46/526344446.db2.gz UEEWYTLGRJMHIA-UHFFFAOYSA-N -1 0 320.064 3.714 10 0 DHAERM C[C@H]1CCC[C@](CNC(=O)OCc2ccccc2)(C(=O)[O-])CC1 ZINC000725244557 563525635 /nfs/dbraw/zinc/52/56/35/563525635.db2.gz JLAIHDLOSRKDAO-KSSFIOAISA-N -1 0 319.401 3.584 10 0 DHAERM CC(C)[C@@H]1OC[C@@H](c2ccc(C(F)(F)F)cc2)[C@H]1C(=O)[O-] ZINC000725245311 563526218 /nfs/dbraw/zinc/52/62/18/563526218.db2.gz BXACLVGLWRWQIF-XQQFMLRXSA-N -1 0 302.292 3.545 10 0 DHAERM Cc1cccc2c1N(C(=O)OC(C)(C)C)C[C@@H](C)[C@H]2CC(=O)[O-] ZINC000725253857 563544060 /nfs/dbraw/zinc/54/40/60/563544060.db2.gz MQHPMLFCZTZBQK-TZMCWYRMSA-N -1 0 319.401 3.945 10 0 DHAERM O=C([O-])c1cc(N2CCCCC2)ccc1NC(=O)c1ccccc1 ZINC000064589029 563890461 /nfs/dbraw/zinc/89/04/61/563890461.db2.gz TUDFGFKJCYMZRO-UHFFFAOYSA-N -1 0 324.380 3.627 10 0 DHAERM O=C([O-])c1cncc(Sc2ccc(Cl)cc2Cl)n1 ZINC000322565271 970903586 /nfs/dbraw/zinc/90/35/86/970903586.db2.gz FTJNSXCHKAZULS-UHFFFAOYSA-N -1 0 301.154 3.633 10 0 DHAERM Cc1csc(C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000381028569 971733043 /nfs/dbraw/zinc/73/30/43/971733043.db2.gz MQTGBICPVUVNFO-UHFFFAOYSA-N -1 0 307.396 3.557 10 0 DHAERM CC[C@H](NCc1cccc(C(=O)[O-])c1Cl)c1nccs1 ZINC000381724150 971773440 /nfs/dbraw/zinc/77/34/40/971773440.db2.gz RXJHNTZKMBVCFJ-NSHDSACASA-N -1 0 310.806 3.736 10 0 DHAERM O=C([O-])c1cc(CNc2cccc(OCc3ccccc3)c2)on1 ZINC000383856116 971899115 /nfs/dbraw/zinc/89/91/15/971899115.db2.gz XZKNTTAAEPPWSX-UHFFFAOYSA-N -1 0 324.336 3.564 10 0 DHAERM O=C([O-])c1ccc(NCc2cscc2Br)cc1 ZINC000383991326 971905373 /nfs/dbraw/zinc/90/53/73/971905373.db2.gz FWLWOVPOXFNGHC-UHFFFAOYSA-N -1 0 312.188 3.821 10 0 DHAERM O=C([O-])c1coc(-c2csc(Cc3cccc(F)c3)n2)c1 ZINC000109529941 958377818 /nfs/dbraw/zinc/37/78/18/958377818.db2.gz ADTWOGXFKJBFIO-UHFFFAOYSA-N -1 0 303.314 3.831 10 0 DHAERM COc1ccc(Cl)cc1COc1cc(C(=O)[O-])ccc1C ZINC000109971279 958380351 /nfs/dbraw/zinc/38/03/51/958380351.db2.gz GAPSRLSUVAHIRJ-UHFFFAOYSA-N -1 0 306.745 3.934 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)/C=C/c2cccc(F)c2)s1 ZINC000110775653 958397938 /nfs/dbraw/zinc/39/79/38/958397938.db2.gz VJTRSEYNNQKZPW-AATRIKPKSA-N -1 0 305.330 3.546 10 0 DHAERM O=C([O-])c1c(Cl)cccc1NC(=O)N1CCCCCCC1 ZINC000111279203 958420831 /nfs/dbraw/zinc/42/08/31/958420831.db2.gz JAGWUVSLRALRPN-UHFFFAOYSA-N -1 0 310.781 3.836 10 0 DHAERM CC(C)(C(=O)[O-])c1csc(Nc2ccc3c(c2)CCC3)n1 ZINC000124102431 958518313 /nfs/dbraw/zinc/51/83/13/958518313.db2.gz UZONGOYUFSCRFO-UHFFFAOYSA-N -1 0 302.399 3.738 10 0 DHAERM Cc1csc(C(=O)[O-])c1NC(=O)/C=C/c1cccc(F)c1 ZINC000128180245 958640399 /nfs/dbraw/zinc/64/03/99/958640399.db2.gz HBMPQFCDIQMODY-AATRIKPKSA-N -1 0 305.330 3.546 10 0 DHAERM COc1ccc(C(=O)[O-])cc1CSc1cc(F)ccc1F ZINC000131953602 958756947 /nfs/dbraw/zinc/75/69/47/958756947.db2.gz SCAWYFTXTJIMLB-UHFFFAOYSA-N -1 0 310.321 3.964 10 0 DHAERM CCc1nc(-c2ccc(Br)s2)sc1C(=O)[O-] ZINC000163155253 959226589 /nfs/dbraw/zinc/22/65/89/959226589.db2.gz OBJVLEWXHXIRHN-UHFFFAOYSA-N -1 0 318.217 3.895 10 0 DHAERM CC[C@H](C)CC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000167146078 959337789 /nfs/dbraw/zinc/33/77/89/959337789.db2.gz BAAPJTIHFTYXER-QMMMGPOBSA-N -1 0 314.179 3.522 10 0 DHAERM O=C([O-])c1cccc(OC(=O)/C=C\c2ccc(Cl)cc2)c1 ZINC000210251447 959675261 /nfs/dbraw/zinc/67/52/61/959675261.db2.gz CLAOCGBMZWREDX-TWGQIWQCSA-N -1 0 302.713 3.657 10 0 DHAERM O=C([O-])c1ccc(Cl)c(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000215997707 959761223 /nfs/dbraw/zinc/76/12/23/959761223.db2.gz ASTONLQSQMVASB-UHFFFAOYSA-N -1 0 317.719 3.802 10 0 DHAERM O=C([O-])c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000228393267 960013321 /nfs/dbraw/zinc/01/33/21/960013321.db2.gz WDULNQPZAGGXBB-SFYZADRCSA-N -1 0 321.320 3.754 10 0 DHAERM Cc1csc(C(=O)Nc2c(F)cccc2C(=O)[O-])c1Cl ZINC000235964721 960538037 /nfs/dbraw/zinc/53/80/37/960538037.db2.gz GCSJKLVCLWFQKY-UHFFFAOYSA-N -1 0 313.737 3.800 10 0 DHAERM O=C([O-])CCc1csc(-c2ccc(Br)s2)n1 ZINC000236429456 960586266 /nfs/dbraw/zinc/58/62/66/960586266.db2.gz KXRMRXZMRXUPDV-UHFFFAOYSA-N -1 0 318.217 3.651 10 0 DHAERM CC(C)c1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000244312045 961187312 /nfs/dbraw/zinc/18/73/12/961187312.db2.gz XDYOJAGVYAWPRF-UHFFFAOYSA-N -1 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SGDFQQAFMJWTEP-UHFFFAOYSA-N -1 0 305.399 3.625 10 0 DHAERM CCCCC[C@H](O)CCCN(C#N)CCCCCCC(=O)[O-] ZINC000145254504 186037153 /nfs/dbraw/zinc/03/71/53/186037153.db2.gz FBYPCXDMTLCTLE-INIZCTEOSA-N -1 0 312.454 3.526 10 0 DHAERM CC(C)c1ccc(N2CCN(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000003986799 181060692 /nfs/dbraw/zinc/06/06/92/181060692.db2.gz MFFNNUSYXVSTIR-UHFFFAOYSA-N -1 0 324.380 3.955 10 0 DHAERM CC(C)(C)c1ccccc1OCc1nc(CC(=O)[O-])cs1 ZINC000005592602 181261702 /nfs/dbraw/zinc/26/17/02/181261702.db2.gz CRWKOPVOCSSMNJ-UHFFFAOYSA-N -1 0 305.399 3.647 10 0 DHAERM Cc1cc(OCc2nc(CC(=O)[O-])cs2)cc(C)c1Cl ZINC000005592617 181261840 /nfs/dbraw/zinc/26/18/40/181261840.db2.gz MGZIEXVOFNMIPD-UHFFFAOYSA-N -1 0 311.790 3.619 10 0 DHAERM O=C([O-])c1ccccc1[S@@](=O)c1cccc(C(F)(F)F)c1 ZINC000005846748 181289167 /nfs/dbraw/zinc/28/91/67/181289167.db2.gz TWLUUCVHAKXBJU-OAQYLSRUSA-N -1 0 314.284 3.570 10 0 DHAERM CC[N-]C(=S)SCC(=O)c1ccc(-c2ccccn2)s1 ZINC000095092985 193422775 /nfs/dbraw/zinc/42/27/75/193422775.db2.gz ZTDMOUWRPGAXOH-UHFFFAOYSA-N -1 0 322.480 3.620 10 0 DHAERM Cc1cc(OCC(=O)c2nc(C(=O)[O-])cs2)ccc1C(C)C ZINC000008029115 181520380 /nfs/dbraw/zinc/52/03/80/181520380.db2.gz HVLRFFABSPASDA-UHFFFAOYSA-N -1 0 319.382 3.535 10 0 DHAERM O=C([O-])C1(CC(=O)Nc2ccc(Cl)cc2F)CCCCC1 ZINC000013252641 181839511 /nfs/dbraw/zinc/83/95/11/181839511.db2.gz BISWXNRCZBKMKS-UHFFFAOYSA-N -1 0 313.756 3.843 10 0 DHAERM CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1C(=O)[O-] ZINC000013441002 181850543 /nfs/dbraw/zinc/85/05/43/181850543.db2.gz QCCQFGHLUVOLSX-UHFFFAOYSA-N -1 0 324.163 3.968 10 0 DHAERM CC(C)COc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000014772498 181970497 /nfs/dbraw/zinc/97/04/97/181970497.db2.gz RBHFVIXFZDOSAU-JKSUJKDBSA-N -1 0 319.401 3.551 10 0 DHAERM O=C([O-])c1c2c(nc3cccc(Br)c31)CCCC2 ZINC000019803364 182151539 /nfs/dbraw/zinc/15/15/39/182151539.db2.gz DVFWQCGQVDTXMQ-UHFFFAOYSA-N -1 0 306.159 3.574 10 0 DHAERM CCOc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000019815640 182153562 /nfs/dbraw/zinc/15/35/62/182153562.db2.gz MOKOBVJLJGMWHI-UHFFFAOYSA-N -1 0 319.744 3.689 10 0 DHAERM Cc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(C)cc2)s1 ZINC000020333106 182209128 /nfs/dbraw/zinc/20/91/28/182209128.db2.gz UKEYJXBOTBSTCL-BQYQJAHWSA-N -1 0 301.367 3.715 10 0 DHAERM CCc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(C)cc2)s1 ZINC000020333338 182209408 /nfs/dbraw/zinc/20/94/08/182209408.db2.gz DJEJLHLYIJNNRQ-CMDGGOBGSA-N -1 0 315.394 3.969 10 0 DHAERM COc1ccc(-c2noc([N-]c3cc(F)ccc3F)n2)cc1 ZINC000021158377 182267624 /nfs/dbraw/zinc/26/76/24/182267624.db2.gz VZXLGXTYGGPTIY-UHFFFAOYSA-N -1 0 303.268 3.767 10 0 DHAERM CC[C@H](O)[C@H](O)C/C=C\C/C=C\CCCCCCCC(=O)[O-] ZINC000034961806 182745672 /nfs/dbraw/zinc/74/56/72/182745672.db2.gz LKLLJYJTYPVCID-YNOGVTSOSA-N -1 0 312.450 3.826 10 0 endogenous,in-man DHAERM O=C([O-])[C@H](Nc1ccc(Br)cc1)c1ccccc1 ZINC000037960259 182943267 /nfs/dbraw/zinc/94/32/67/182943267.db2.gz RAWIQEUYDFBERU-CYBMUJFWSA-N -1 0 306.159 3.687 10 0 DHAERM Cc1cc(Nc2ccc(C(=O)[O-])cc2N)ccc1Br ZINC000037930356 182938797 /nfs/dbraw/zinc/93/87/97/182938797.db2.gz ICCSWIOPOVBJRR-UHFFFAOYSA-N -1 0 321.174 3.782 10 0 DHAERM Cc1nc(-c2cccc(Br)c2)sc1CC(=O)[O-] ZINC000041562946 183202227 /nfs/dbraw/zinc/20/22/27/183202227.db2.gz SDTWCHAUFLGDJR-UHFFFAOYSA-N -1 0 312.188 3.508 10 0 DHAERM Cc1cc(Br)cc2c(C(=O)[O-])cc(C3CC3)nc12 ZINC000041656046 183213565 /nfs/dbraw/zinc/21/35/65/183213565.db2.gz CJPWXHFREYFRJW-UHFFFAOYSA-N -1 0 306.159 3.881 10 0 DHAERM O=C([O-])c1cc(C2CC2)nc2c(Br)cc(F)cc12 ZINC000041655312 183213895 /nfs/dbraw/zinc/21/38/95/183213895.db2.gz LMTCLQHEXGMRDC-UHFFFAOYSA-N -1 0 310.122 3.712 10 0 DHAERM O=C([O-])c1ccoc1C[S@@](=O)c1cc(Cl)ccc1Cl ZINC000042288695 183249779 /nfs/dbraw/zinc/24/97/79/183249779.db2.gz MXDMMEIIOXOUMU-IBGZPJMESA-N -1 0 319.165 3.592 10 0 DHAERM Nc1ccc(C(=O)[O-])cc1Oc1cccc(Br)c1 ZINC000057652859 184043853 /nfs/dbraw/zinc/04/38/53/184043853.db2.gz UPFLBUUKMUTDLV-UHFFFAOYSA-N -1 0 308.131 3.522 10 0 DHAERM COC(=O)c1ccc(-c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000065354551 184326967 /nfs/dbraw/zinc/32/69/67/184326967.db2.gz KNILPDAKUKGNKK-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM COC(=O)c1cc(-c2cccc(Cl)c2C(=O)[O-])ccc1F ZINC000065354606 184327031 /nfs/dbraw/zinc/32/70/31/184327031.db2.gz KANZYLUCNZATFR-UHFFFAOYSA-N -1 0 308.692 3.631 10 0 DHAERM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000069549833 184525051 /nfs/dbraw/zinc/52/50/51/184525051.db2.gz SSVAKAJILCCIAB-JTQLQIEISA-N -1 0 320.172 3.644 10 0 DHAERM Cc1cccc(C)c1-n1c(=S)[n-]nc1[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000004347988 256517224 /nfs/dbraw/zinc/51/72/24/256517224.db2.gz WSLBIGUWJZUQJP-AGIUHOORSA-N -1 0 301.415 3.582 10 0 DHAERM CCC[C@H](CCC[C@H](C)O)COC(=O)c1ccccc1C(=O)[O-] ZINC000504052202 257151034 /nfs/dbraw/zinc/15/10/34/257151034.db2.gz KNDRVUYMYPIFIU-UONOGXRCSA-N -1 0 322.401 3.509 10 0 DHAERM CCOC(=O)/C(=C\c1ccc(-c2ccccc2)cc1)CC(=O)[O-] ZINC000575141500 332854885 /nfs/dbraw/zinc/85/48/85/332854885.db2.gz BDKUSEPYIAIJBO-ATVHPVEESA-N -1 0 310.349 3.775 10 0 DHAERM CC(C)Cc1ccc([C@@H](C)NC(=O)CCCCC(=O)[O-])cc1 ZINC000261961281 331719289 /nfs/dbraw/zinc/71/92/89/331719289.db2.gz OVORQUHBUMHGAG-CQSZACIVSA-N -1 0 305.418 3.707 10 0 DHAERM C[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1ccc2ccccc2c1 ZINC000183752490 337193289 /nfs/dbraw/zinc/19/32/89/337193289.db2.gz FWGAYBKHLCJTKR-NSHDSACASA-N -1 0 309.321 3.622 10 0 DHAERM CC(=O)Oc1cc2c(cc1C1CCCCC1)CC[C@H]2C(=O)[O-] ZINC000584618169 337373196 /nfs/dbraw/zinc/37/31/96/337373196.db2.gz FYHKLADDJVNGKM-CQSZACIVSA-N -1 0 302.370 3.774 10 0 DHAERM O=C([O-])[C@@H](c1ccc(Br)c(F)c1)C1CCCC1 ZINC000584595416 337373916 /nfs/dbraw/zinc/37/39/16/337373916.db2.gz SWLZBPPFWKPYQE-GFCCVEGCSA-N -1 0 301.155 3.947 10 0 DHAERM Clc1ccc(O[C@@H](c2nnn[n-]2)c2ccc(Cl)cc2)cc1 ZINC000584625137 337375445 /nfs/dbraw/zinc/37/54/45/337375445.db2.gz FPAKMNYAAMRFLY-CYBMUJFWSA-N -1 0 321.167 3.675 10 0 DHAERM CCCC[S@@](=O)c1c(CC)c(C(=O)[O-])ccc1C(F)F ZINC000584642255 337380200 /nfs/dbraw/zinc/38/02/00/337380200.db2.gz FPAPNUBWNAWKIV-HXUWFJFHSA-N -1 0 304.358 3.793 10 0 DHAERM CCc1oc(C(=O)N2CC[C@@H](C)c3ccccc32)cc1C(=O)[O-] ZINC000261636749 337606902 /nfs/dbraw/zinc/60/69/02/337606902.db2.gz KFZFDKRYMOPSIM-LLVKDONJSA-N -1 0 313.353 3.694 10 0 DHAERM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000261652546 337607414 /nfs/dbraw/zinc/60/74/14/337607414.db2.gz MWVOOOOIWMPMOW-WCQYABFASA-N -1 0 307.390 3.629 10 0 DHAERM C[C@@H]([C@H](C)NC(=O)NC1CCC(C(=O)[O-])CC1)C1CCCCC1 ZINC000263277861 337626073 /nfs/dbraw/zinc/62/60/73/337626073.db2.gz SPBQNYJGVACHHV-VRLRAXNCSA-N -1 0 324.465 3.534 10 0 DHAERM CCCCCN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H](C)CCC ZINC000263388930 337627497 /nfs/dbraw/zinc/62/74/97/337627497.db2.gz FQHXEOCECKWTHY-CYBMUJFWSA-N -1 0 306.406 3.601 10 0 DHAERM C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccnc1 ZINC000106901678 337823799 /nfs/dbraw/zinc/82/37/99/337823799.db2.gz JUVLWEMEIWPUOP-MRVPVSSYSA-N -1 0 311.168 3.585 10 0 DHAERM O=C([O-])c1cc2c([nH]1)c(Br)ccc2C(F)(F)F ZINC000536959587 337868665 /nfs/dbraw/zinc/86/86/65/337868665.db2.gz OOBFRGOGUJNKLS-UHFFFAOYSA-N -1 0 308.053 3.647 10 0 DHAERM Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)[O-])cc1 ZINC000536957555 337868585 /nfs/dbraw/zinc/86/85/85/337868585.db2.gz FEFMSHQPXGGLJZ-ZDUSSCGKSA-N -1 0 307.390 3.672 10 0 DHAERM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCCCCCCC(=O)[O-] ZINC000237633051 525393158 /nfs/dbraw/zinc/39/31/58/525393158.db2.gz GUSVMPBPQKQXPS-IRXDYDNUSA-N -1 0 317.429 3.640 10 0 DHAERM O=C([O-])[C@@H]1c2ccc(Cl)cc2CCN1c1ccc(F)cc1 ZINC000038540553 563460315 /nfs/dbraw/zinc/46/03/15/563460315.db2.gz RGWVNXMJJOUGRD-HNNXBMFYSA-N -1 0 305.736 3.668 10 0 DHAERM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CC2(C1)CCCCCC2 ZINC000722615288 563477843 /nfs/dbraw/zinc/47/78/43/563477843.db2.gz JIPMJPYCGYNHLD-UHFFFAOYSA-N -1 0 311.422 3.717 10 0 DHAERM C[C@@H](CCc1ccccc1)C[C@H](CNC(=O)C(C)(C)C)C(=O)[O-] ZINC000725246138 563526429 /nfs/dbraw/zinc/52/64/29/563526429.db2.gz KRLDCCYBOQEZIO-GOEBONIOSA-N -1 0 319.445 3.509 10 0 DHAERM C[C@H]1C[C@H](CC(=O)[O-])c2cc(F)ccc2N1C(=O)OC(C)(C)C ZINC000725253736 563544094 /nfs/dbraw/zinc/54/40/94/563544094.db2.gz JGPUIVRVBNDMMD-WDEREUQCSA-N -1 0 323.364 3.918 10 0 DHAERM C[C@H]1C[C@@H](CC(=O)[O-])c2ccccc2N1C(=O)OC(C)(C)C ZINC000725253934 563545956 /nfs/dbraw/zinc/54/59/56/563545956.db2.gz RZSBDLLSYNLKIQ-RYUDHWBXSA-N -1 0 305.374 3.779 10 0 DHAERM CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])c1nc3cc(Cl)ccc3nc12 ZINC000575602499 563864828 /nfs/dbraw/zinc/86/48/28/563864828.db2.gz QHVQPYZLHSOLRS-SJORKVTESA-N -1 0 316.788 3.697 10 0 DHAERM COc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1 ZINC000048533938 563924069 /nfs/dbraw/zinc/92/40/69/563924069.db2.gz BZYPVAZBDUBWHE-UHFFFAOYSA-N -1 0 306.745 3.555 10 0 DHAERM O=C([O-])c1cncnc1Sc1ccc(Cl)cc1Cl ZINC000322674564 970917256 /nfs/dbraw/zinc/91/72/56/970917256.db2.gz OFXNCWXSKCHDAW-UHFFFAOYSA-N -1 0 301.154 3.633 10 0 DHAERM CC(C)C[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000244206142 950002281 /nfs/dbraw/zinc/00/22/81/950002281.db2.gz VRMZIPROPNQUBH-CQSZACIVSA-N -1 0 306.406 3.605 10 0 DHAERM O=C([O-])c1ccc(OCc2sccc2Cl)c([N+](=O)[O-])c1 ZINC000380155371 971681916 /nfs/dbraw/zinc/68/19/16/971681916.db2.gz UGVIFFKALSKNOF-UHFFFAOYSA-N -1 0 313.718 3.587 10 0 DHAERM Cc1cnc([C@H](C)NCc2cccc(C(=O)[O-])c2Cl)s1 ZINC000381749130 971775416 /nfs/dbraw/zinc/77/54/16/971775416.db2.gz VRSGAVWMFMDHBA-VIFPVBQESA-N -1 0 310.806 3.654 10 0 DHAERM Cc1cnc([C@@H](C)NCc2cccc(C(=O)[O-])c2Cl)s1 ZINC000381749102 971775547 /nfs/dbraw/zinc/77/55/47/971775547.db2.gz VRSGAVWMFMDHBA-SECBINFHSA-N -1 0 310.806 3.654 10 0 DHAERM O=C([O-])[C@@H]1CCC[C@H](c2nc(-c3ccc(Cl)s3)no2)C1 ZINC000384398686 971924982 /nfs/dbraw/zinc/92/49/82/971924982.db2.gz OYHNTWRQEKTMOT-JGVFFNPUSA-N -1 0 312.778 3.810 10 0 DHAERM O=C([O-])c1ccc(NC(=O)c2cc3sccc3s2)cc1O ZINC000123232074 958495209 /nfs/dbraw/zinc/49/52/09/958495209.db2.gz OTNQBDGRSSYNSZ-UHFFFAOYSA-N -1 0 319.363 3.619 10 0 DHAERM CCC1CCC(N(C)c2nc(Cl)c(C(=O)[O-])s2)CC1 ZINC000128983477 958687572 /nfs/dbraw/zinc/68/75/72/958687572.db2.gz SBUZUQPIDGXBJL-UHFFFAOYSA-N -1 0 302.827 3.900 10 0 DHAERM C[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2C(=O)[O-])C[C@H]1C ZINC000130537796 958735567 /nfs/dbraw/zinc/73/55/67/958735567.db2.gz LJXNASDPBUOBCD-NXEZZACHSA-N -1 0 310.781 3.548 10 0 DHAERM C[C@@H]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C[C@@H]1C ZINC000130635699 958736231 /nfs/dbraw/zinc/73/62/31/958736231.db2.gz KXKNXNXXWDYYKI-ZJUUUORDSA-N -1 0 310.781 3.548 10 0 DHAERM CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000136376056 958898905 /nfs/dbraw/zinc/89/89/05/958898905.db2.gz ZHDWHZMUJJSJNW-NXEZZACHSA-N -1 0 310.781 3.833 10 0 DHAERM CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000136354618 958899232 /nfs/dbraw/zinc/89/92/32/958899232.db2.gz IXTWGKJTMWEDQX-ZANVPECISA-N -1 0 310.781 3.833 10 0 DHAERM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc2sccc2s1 ZINC000136704499 958907045 /nfs/dbraw/zinc/90/70/45/958907045.db2.gz IGEVDZVSPDZOEM-NSHDSACASA-N -1 0 311.428 3.582 10 0 DHAERM Cc1cc(C(=O)Nc2c(F)cccc2C(=O)[O-])ccc1Cl ZINC000138125575 958948158 /nfs/dbraw/zinc/94/81/58/958948158.db2.gz VFMGZDUGIMJPNN-UHFFFAOYSA-N -1 0 307.708 3.738 10 0 DHAERM COc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)cc1F ZINC000161891223 959200516 /nfs/dbraw/zinc/20/05/16/959200516.db2.gz SHTYRYOHRHBBKM-UHFFFAOYSA-N -1 0 310.708 3.765 10 0 DHAERM CCC(CC)(CNc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC000165061858 959271939 /nfs/dbraw/zinc/27/19/39/959271939.db2.gz KMCFQCDYQVGKBY-UHFFFAOYSA-N -1 0 307.419 3.611 10 0 DHAERM CC[C@H](C)CC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000167107321 959335556 /nfs/dbraw/zinc/33/55/56/959335556.db2.gz DUODLHUVDDVKDN-QMMMGPOBSA-N -1 0 314.179 3.522 10 0 DHAERM CCc1oc2ccccc2c1C(=O)N(CCC(=O)[O-])CC(C)C ZINC000190691940 959518877 /nfs/dbraw/zinc/51/88/77/959518877.db2.gz YBJJBXYIACIMNF-UHFFFAOYSA-N -1 0 317.385 3.568 10 0 DHAERM O=C([O-])c1ccccc1OC(=O)/C=C\c1ccccc1Cl ZINC000208776807 959671704 /nfs/dbraw/zinc/67/17/04/959671704.db2.gz AHLCRJFVBVIEBU-KTKRTIGZSA-N -1 0 302.713 3.657 10 0 DHAERM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(Cl)s1)CC2 ZINC000212054868 959706865 /nfs/dbraw/zinc/70/68/65/959706865.db2.gz WWNJPHFGNNRTCA-UHFFFAOYSA-N -1 0 307.802 3.658 10 0 DHAERM CCc1cc(C(=O)[O-])c(NC(=O)C2CCC(F)(F)CC2)s1 ZINC000216032605 959760214 /nfs/dbraw/zinc/76/02/14/959760214.db2.gz QOKIJLOXCWMEMA-UHFFFAOYSA-N -1 0 317.357 3.773 10 0 DHAERM O=C([O-])c1sccc1NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000216297720 959765012 /nfs/dbraw/zinc/76/50/12/959765012.db2.gz OWRLNUMSEODRAR-YUMQZZPRSA-N -1 0 321.320 3.754 10 0 DHAERM Cc1csc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c1Cl ZINC000235965988 960537013 /nfs/dbraw/zinc/53/70/13/960537013.db2.gz AZNNNQJTSBRMLX-UHFFFAOYSA-N -1 0 309.774 3.969 10 0 DHAERM O=C([O-])[C@@H](NCc1cc(Cl)sc1Cl)c1ccccc1 ZINC000308354054 963270234 /nfs/dbraw/zinc/27/02/34/963270234.db2.gz WPPPBAONFXNRBW-NSHDSACASA-N -1 0 316.209 3.970 10 0 DHAERM O=C([O-])c1ccc(CNCc2cc(Cl)sc2Cl)o1 ZINC000312706285 963586230 /nfs/dbraw/zinc/58/62/30/963586230.db2.gz KJZSSWQMJGPROI-UHFFFAOYSA-N -1 0 306.170 3.636 10 0 DHAERM C[C@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)s1 ZINC000314631275 963780883 /nfs/dbraw/zinc/78/08/83/963780883.db2.gz IYMOUPKKHDCEKH-BQBZGAKWSA-N -1 0 316.835 3.968 10 0 DHAERM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000164031401 967662479 /nfs/dbraw/zinc/66/24/79/967662479.db2.gz VTCQJBLJFQVEBR-GWCFXTLKSA-N -1 0 311.809 3.606 10 0 DHAERM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2csc(Cl)c2)cc1 ZINC000396551635 972916876 /nfs/dbraw/zinc/91/68/76/972916876.db2.gz GOTJBMKFPNDBEO-MRVPVSSYSA-N -1 0 309.774 3.842 10 0 DHAERM CC[C@@H](CC(F)(F)F)C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000402546305 973623019 /nfs/dbraw/zinc/62/30/19/973623019.db2.gz GEFROTLZIUQPDP-ZETCQYMHSA-N -1 0 309.309 3.672 10 0 DHAERM C[C@@H](CC(F)(F)F)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000402648273 973636909 /nfs/dbraw/zinc/63/69/09/973636909.db2.gz PTBWMUGQMOKVFA-LURJTMIESA-N -1 0 309.671 3.565 10 0 DHAERM Cc1oc(CNc2ncc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000687720503 976155407 /nfs/dbraw/zinc/15/54/07/976155407.db2.gz HOAFFWKFEKINQL-UHFFFAOYSA-N -1 0 301.129 3.600 10 0 DHAERM CC1(C)CCCC[C@@H]1C(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000692447284 976484820 /nfs/dbraw/zinc/48/48/20/976484820.db2.gz YQGDLJRNNOIMCX-MRXNPFEDSA-N -1 0 317.429 3.706 10 0 DHAERM O=C([O-])c1cc(CSc2nc3cnccc3s2)cs1 ZINC000703025738 977145169 /nfs/dbraw/zinc/14/51/69/977145169.db2.gz PJEQQTDOIVZURS-UHFFFAOYSA-N -1 0 308.409 3.743 10 0 DHAERM CC(C)(C)[C@H]1CCCN(c2nc(Cl)c(C(=O)[O-])s2)C1 ZINC000708484915 977429999 /nfs/dbraw/zinc/42/99/99/977429999.db2.gz IUDJTHHKMVPCDJ-QMMMGPOBSA-N -1 0 302.827 3.757 10 0 DHAERM C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)[C@]12C[C@H]1CCCC2 ZINC000709173343 977453447 /nfs/dbraw/zinc/45/34/47/977453447.db2.gz CLSXSLSYHQMRDW-DAROEXNTSA-N -1 0 300.811 3.875 10 0 DHAERM C[C@@H](COCc1ccccc1)COc1cccc(C(=O)[O-])c1 ZINC000719413319 978001934 /nfs/dbraw/zinc/00/19/34/978001934.db2.gz HXTSJIBQLSXIQU-AWEZNQCLSA-N -1 0 300.354 3.617 10 0 DHAERM O=C([O-])CP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000004352578 181101370 /nfs/dbraw/zinc/10/13/70/181101370.db2.gz KLEYNUDVTBYXMF-UHFFFAOYSA-N -1 0 320.281 3.698 10 0 DHAERM CCOc1ccc(-n2nc(C(=O)[O-])cc2-c2ccccc2)cc1 ZINC000004637696 181130692 /nfs/dbraw/zinc/13/06/92/181130692.db2.gz NIRUHBUIBMKEJT-UHFFFAOYSA-N -1 0 308.337 3.636 10 0 DHAERM CC(C)c1ccc(OCCc2nc(CC(=O)[O-])cs2)cc1 ZINC000005592702 181261636 /nfs/dbraw/zinc/26/16/36/181261636.db2.gz NJOQYEAIVYPKTE-UHFFFAOYSA-N -1 0 305.399 3.515 10 0 DHAERM CCCOc1ccc(-c2nc(CC(=O)[O-])cs2)cc1OCC ZINC000005592349 181261172 /nfs/dbraw/zinc/26/11/72/181261172.db2.gz MXKNFILTXAMFIF-UHFFFAOYSA-N -1 0 321.398 3.625 10 0 DHAERM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1c(Cl)cccc1Cl ZINC000006329011 181330306 /nfs/dbraw/zinc/33/03/06/181330306.db2.gz AIKKMVKMGSOKLE-BDAKNGLRSA-N -1 0 314.168 3.599 10 0 DHAERM O=C([O-])c1ccc(OCc2ccc(Br)s2)cc1 ZINC000019515285 182127226 /nfs/dbraw/zinc/12/72/26/182127226.db2.gz GEAVZLQLZQRHCW-UHFFFAOYSA-N -1 0 313.172 3.788 10 0 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