smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccccc1Br)c1cccc(Cl)c1Cl ZINC000000514174 209641812 /nfs/dbraw/zinc/64/18/12/209641812.db2.gz VDZXIBWZMIQOAZ-UHFFFAOYSA-N 0 0 345.023 5.008 20 0 EKADRN C[C@H]1CCc2c(C(=O)Nc3ccccc3C(F)(F)F)csc2C1 ZINC000000543790 209658039 /nfs/dbraw/zinc/65/80/39/209658039.db2.gz WYUJATIYNKBGPF-JTQLQIEISA-N 0 0 339.382 5.144 20 0 EKADRN c1coc(-c2nnc(SCc3ccccc3)n2C2CCCCC2)c1 ZINC000000560532 209664823 /nfs/dbraw/zinc/66/48/23/209664823.db2.gz FQFSTRZWZMNFBN-UHFFFAOYSA-N 0 0 339.464 5.336 20 0 EKADRN Cc1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 ZINC000001517867 209757089 /nfs/dbraw/zinc/75/70/89/209757089.db2.gz FJLMLVDNWHDUGV-UHFFFAOYSA-N 0 0 337.231 5.164 20 0 EKADRN CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001752706 209789948 /nfs/dbraw/zinc/78/99/48/209789948.db2.gz KKIWLHJLHXKVHU-UHFFFAOYSA-N 0 0 342.748 5.023 20 0 EKADRN Cc1cc(Cl)ccc1NC(=O)CSc1ccccc1Cl ZINC000003380465 210023081 /nfs/dbraw/zinc/02/30/81/210023081.db2.gz SFSNPRLNYDFZOQ-UHFFFAOYSA-N 0 0 326.248 5.033 20 0 EKADRN C[C@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000003380568 210022009 /nfs/dbraw/zinc/02/20/09/210022009.db2.gz OHUMCPFOMILEIA-VIFPVBQESA-N 0 0 344.238 5.252 20 0 EKADRN C[C@@H](Sc1ccccc1Cl)C(=O)Nc1ccc(F)cc1Cl ZINC000003380570 210022799 /nfs/dbraw/zinc/02/27/99/210022799.db2.gz OHUMCPFOMILEIA-SECBINFHSA-N 0 0 344.238 5.252 20 0 EKADRN Cc1c(Cl)cccc1NC(=O)CSc1ccccc1Cl ZINC000003380654 210022025 /nfs/dbraw/zinc/02/20/25/210022025.db2.gz TVBLWOXKQOXDTP-UHFFFAOYSA-N 0 0 326.248 5.033 20 0 EKADRN Cc1ccc(Cl)cc1NC(=O)CSc1ccccc1Cl ZINC000003380675 210022489 /nfs/dbraw/zinc/02/24/89/210022489.db2.gz FRBGUHLKCZDSSW-UHFFFAOYSA-N 0 0 326.248 5.033 20 0 EKADRN C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cn1 ZINC000003382526 210024121 /nfs/dbraw/zinc/02/41/21/210024121.db2.gz JIOTUFYKNIFRPF-LBPRGKRZSA-N 0 0 342.851 5.008 20 0 EKADRN C[C@@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cn1 ZINC000003382528 210023529 /nfs/dbraw/zinc/02/35/29/210023529.db2.gz JIOTUFYKNIFRPF-GFCCVEGCSA-N 0 0 342.851 5.008 20 0 EKADRN Cc1ccc(NC(=O)CSc2ccccc2Cl)c(Cl)c1 ZINC000003412987 210031090 /nfs/dbraw/zinc/03/10/90/210031090.db2.gz HUPIBIJNBUOWQI-UHFFFAOYSA-N 0 0 326.248 5.033 20 0 EKADRN C[C@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003473186 210048368 /nfs/dbraw/zinc/04/83/68/210048368.db2.gz LCUBMLDEXIVQNK-VIFPVBQESA-N 0 0 344.238 5.252 20 0 EKADRN C[C@@H](Sc1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000003473189 210048396 /nfs/dbraw/zinc/04/83/96/210048396.db2.gz LCUBMLDEXIVQNK-SECBINFHSA-N 0 0 344.238 5.252 20 0 EKADRN C[C@H](Sc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl ZINC000003473198 210047772 /nfs/dbraw/zinc/04/77/72/210047772.db2.gz BNVUUUYCAMYXDO-VIFPVBQESA-N 0 0 344.238 5.252 20 0 EKADRN C[C@@H](Sc1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl ZINC000003473200 210048346 /nfs/dbraw/zinc/04/83/46/210048346.db2.gz BNVUUUYCAMYXDO-SECBINFHSA-N 0 0 344.238 5.252 20 0 EKADRN C[C@H](Sc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl ZINC000003473464 210048042 /nfs/dbraw/zinc/04/80/42/210048042.db2.gz RDOWYZDWPONHIQ-VIFPVBQESA-N 0 0 344.238 5.252 20 0 EKADRN C[C@@H](Sc1ccccc1F)C(=O)Nc1cc(Cl)ccc1Cl ZINC000003473468 210048183 /nfs/dbraw/zinc/04/81/83/210048183.db2.gz RDOWYZDWPONHIQ-SECBINFHSA-N 0 0 344.238 5.252 20 0 EKADRN CSCc1c2ccccc2oc1C(=O)Nc1cc(C)ccc1C ZINC000003478838 208556871 /nfs/dbraw/zinc/55/68/71/208556871.db2.gz LEFBVFMGBBJFGJ-UHFFFAOYSA-N 0 0 325.433 5.165 20 0 EKADRN COc1ccc2c(CC(=O)Nc3c(C)cccc3C(C)C)coc2c1 ZINC000003592027 210060203 /nfs/dbraw/zinc/06/02/03/210060203.db2.gz OGRWZUVHARVQMI-UHFFFAOYSA-N 0 0 337.419 5.054 20 0 EKADRN CC(C)c1ccccc1NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000003601717 210063469 /nfs/dbraw/zinc/06/34/69/210063469.db2.gz USDPEBKWFKXMMM-UHFFFAOYSA-N 0 0 338.234 5.134 20 0 EKADRN CCC(=O)c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003603423 210063405 /nfs/dbraw/zinc/06/34/05/210063405.db2.gz WKPCSYJYPACGAX-UHFFFAOYSA-N 0 0 344.410 5.017 20 0 EKADRN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1cccc2ccccc21 ZINC000004414759 210191018 /nfs/dbraw/zinc/19/10/18/210191018.db2.gz NIXYOYCYRIPUEN-ZDUSSCGKSA-N 0 0 325.408 5.098 20 0 EKADRN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1cccc2ccccc21 ZINC000004414761 210190546 /nfs/dbraw/zinc/19/05/46/210190546.db2.gz NIXYOYCYRIPUEN-CYBMUJFWSA-N 0 0 325.408 5.098 20 0 EKADRN COc1ccc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)cc1 ZINC000004475493 210196896 /nfs/dbraw/zinc/19/68/96/210196896.db2.gz IAGKBWQSUXWCFC-NSHDSACASA-N 0 0 346.839 5.252 20 0 EKADRN COc1ccc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)cc1 ZINC000004475495 210196245 /nfs/dbraw/zinc/19/62/45/210196245.db2.gz IAGKBWQSUXWCFC-LLVKDONJSA-N 0 0 346.839 5.252 20 0 EKADRN Cc1ccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)o2)cc1C ZINC000004887474 210313067 /nfs/dbraw/zinc/31/30/67/210313067.db2.gz GMZRNMRIBITCIL-ZDUSSCGKSA-N 0 0 328.412 5.346 20 0 EKADRN Cc1ccc(-c2nnc(S[C@H](C)c3ccc(F)cc3)o2)cc1C ZINC000004887492 210313568 /nfs/dbraw/zinc/31/35/68/210313568.db2.gz GMZRNMRIBITCIL-CYBMUJFWSA-N 0 0 328.412 5.346 20 0 EKADRN C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc21 ZINC000005034088 210370224 /nfs/dbraw/zinc/37/02/24/210370224.db2.gz UJZOJJWIIVQCJI-ZDUSSCGKSA-N 0 0 348.427 5.100 20 0 EKADRN C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1cccc2ccccc21 ZINC000005034091 210370086 /nfs/dbraw/zinc/37/00/86/210370086.db2.gz UJZOJJWIIVQCJI-CYBMUJFWSA-N 0 0 348.427 5.100 20 0 EKADRN Clc1cccc(Cl)c1SCc1nnc(-c2ccccc2)o1 ZINC000005038066 210371996 /nfs/dbraw/zinc/37/19/96/210371996.db2.gz PFFWZTFRXYOLLZ-UHFFFAOYSA-N 0 0 337.231 5.336 20 0 EKADRN O=C(CSc1c(Cl)cccc1Cl)Nc1ccccc1Cl ZINC000005038182 210371436 /nfs/dbraw/zinc/37/14/36/210371436.db2.gz PGKHJBZAPYLUSP-UHFFFAOYSA-N 0 0 346.666 5.378 20 0 EKADRN CCc1cccc(C)c1NC(=O)c1sc2cccc(F)c2c1C ZINC000005278402 210432833 /nfs/dbraw/zinc/43/28/33/210432833.db2.gz LWWROWGPPIASEN-UHFFFAOYSA-N 0 0 327.424 5.472 20 0 EKADRN Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(Cl)c1 ZINC000005471213 210470607 /nfs/dbraw/zinc/47/06/07/210470607.db2.gz WYJSQYBDMBBTOM-UHFFFAOYSA-N 0 0 345.870 5.272 20 0 EKADRN Cc1cc(C)c(NC(=O)c2cccc(Oc3ccccc3)c2)c(C)c1 ZINC000005559691 210489374 /nfs/dbraw/zinc/48/93/74/210489374.db2.gz MTEHBODPZJITJA-UHFFFAOYSA-N 0 0 331.415 5.656 20 0 EKADRN O=C(Nc1ccc(Br)cc1)c1c(Cl)cccc1Cl ZINC000005567398 210491187 /nfs/dbraw/zinc/49/11/87/210491187.db2.gz NEVWOCKMNANYLH-UHFFFAOYSA-N 0 0 345.023 5.008 20 0 EKADRN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccccc1Cl ZINC000005610632 210500427 /nfs/dbraw/zinc/50/04/27/210500427.db2.gz ICVNSUWHSSNUOF-UHFFFAOYSA-N 0 0 336.262 5.299 20 0 EKADRN C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(Cl)c1 ZINC000005626739 210503534 /nfs/dbraw/zinc/50/35/34/210503534.db2.gz KAZFTZAINAZZQI-LBPRGKRZSA-N 0 0 342.851 5.008 20 0 EKADRN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000005749707 210529680 /nfs/dbraw/zinc/52/96/80/210529680.db2.gz BAKMZORCKMQFMZ-UHFFFAOYSA-N 0 0 344.625 5.216 20 0 EKADRN Cc1cccc(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000005815515 201663553 /nfs/dbraw/zinc/66/35/53/201663553.db2.gz SYQCIFCJLDGDBY-UHFFFAOYSA-N 0 0 331.843 5.063 20 0 EKADRN O=C(Nc1cccc(Cl)c1)c1c(Cl)ccc(Cl)c1Cl ZINC000005944242 201668304 /nfs/dbraw/zinc/66/83/04/201668304.db2.gz QJUBRSBHTBPAOH-UHFFFAOYSA-N 0 0 335.017 5.553 20 0 EKADRN CCOc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000005953830 201668680 /nfs/dbraw/zinc/66/86/80/201668680.db2.gz YFRWBGPRYPTUGR-UHFFFAOYSA-N 0 0 344.625 5.298 20 0 EKADRN Cc1ccc(-n2cnnc2S[C@H](C)c2ccccc2)cc1Cl ZINC000006103654 201673656 /nfs/dbraw/zinc/67/36/56/201673656.db2.gz MEYIGTRTWXEMKF-CYBMUJFWSA-N 0 0 329.856 5.082 20 0 EKADRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000006123950 201674245 /nfs/dbraw/zinc/67/42/45/201674245.db2.gz ZLSZDSKPRQFOGM-SECBINFHSA-N 0 0 344.238 5.252 20 0 EKADRN C[C@H](NC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccccc1 ZINC000006183082 210597291 /nfs/dbraw/zinc/59/72/91/210597291.db2.gz HRFHQTLZVICSGN-VIFPVBQESA-N 0 0 328.626 5.138 20 0 EKADRN Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)c1 ZINC000006189718 210598740 /nfs/dbraw/zinc/59/87/40/210598740.db2.gz WMMBUABNMUPRAV-UHFFFAOYSA-N 0 0 328.626 5.516 20 0 EKADRN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(Cl)cc1C ZINC000006215083 210600657 /nfs/dbraw/zinc/60/06/57/210600657.db2.gz KZFZZAPSAIHSRY-UHFFFAOYSA-N 0 0 334.202 5.609 20 0 EKADRN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl ZINC000006215930 210602275 /nfs/dbraw/zinc/60/22/75/210602275.db2.gz WZRDKUWPIYFUDE-UHFFFAOYSA-N 0 0 348.151 5.193 20 0 EKADRN O=C(Nc1ccccc1Cl)c1c(Cl)ccc(Cl)c1Cl ZINC000006222450 210602489 /nfs/dbraw/zinc/60/24/89/210602489.db2.gz COKQZIPSQUQFRT-UHFFFAOYSA-N 0 0 335.017 5.553 20 0 EKADRN COCc1c2ccccc2oc1C(=O)Nc1c(C)cccc1C(C)C ZINC000006232108 522902721 /nfs/dbraw/zinc/90/27/21/522902721.db2.gz UMZPOTWLQLKPSC-UHFFFAOYSA-N 0 0 337.419 5.263 20 0 EKADRN Cc1cccc(C(C)C)c1NC(=O)c1cc2c(s1)CCCCC2 ZINC000006232165 210603459 /nfs/dbraw/zinc/60/34/59/210603459.db2.gz KZEGGTSBECFVAN-UHFFFAOYSA-N 0 0 327.493 5.701 20 0 EKADRN Cc1cccc(C(C)C)c1NC(=O)c1sc2ccccc2c1Cl ZINC000006318210 210618107 /nfs/dbraw/zinc/61/81/07/210618107.db2.gz JWWQOTIATXJPAL-UHFFFAOYSA-N 0 0 343.879 6.239 20 0 EKADRN Clc1ccc(-c2nnc(CSc3ccccc3Cl)o2)cc1 ZINC000006351710 210622341 /nfs/dbraw/zinc/62/23/41/210622341.db2.gz KKWKWTXUSIALSY-UHFFFAOYSA-N 0 0 337.231 5.336 20 0 EKADRN O=C(Nc1ccc(F)c(F)c1F)c1ccccc1Oc1ccccc1 ZINC000006376354 210625241 /nfs/dbraw/zinc/62/52/41/210625241.db2.gz AIJWYLWASFFBJW-UHFFFAOYSA-N 0 0 343.304 5.149 20 0 EKADRN C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1Cl ZINC000006914359 210741457 /nfs/dbraw/zinc/74/14/57/210741457.db2.gz JHYWBIAHVVMXNT-NSHDSACASA-N 0 0 347.846 5.128 20 0 EKADRN C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)c1ccccc1Cl ZINC000006914361 210742149 /nfs/dbraw/zinc/74/21/49/210742149.db2.gz JHYWBIAHVVMXNT-LLVKDONJSA-N 0 0 347.846 5.128 20 0 EKADRN C[C@H](Sc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000006929188 201706021 /nfs/dbraw/zinc/70/60/21/201706021.db2.gz SCGNYBNBROTZAT-JTQLQIEISA-N 0 0 326.248 5.113 20 0 EKADRN CSc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000006967550 210748767 /nfs/dbraw/zinc/74/87/67/210748767.db2.gz FQORFSXITYVNGM-UHFFFAOYSA-N 0 0 340.473 5.093 20 0 EKADRN Cc1csc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)n1 ZINC000007039112 208574441 /nfs/dbraw/zinc/57/44/41/208574441.db2.gz ILYPOJRZTGAVJL-UHFFFAOYSA-N 0 0 334.853 5.086 20 0 EKADRN C[C@H](SCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000007210768 210768810 /nfs/dbraw/zinc/76/88/10/210768810.db2.gz ZDVVIKWRKSBJJI-LBPRGKRZSA-N 0 0 339.382 5.138 20 0 EKADRN Cc1cccc(C(C)C)c1NC(=O)Cc1c(Cl)cccc1Cl ZINC000007264163 210775090 /nfs/dbraw/zinc/77/50/90/210775090.db2.gz CLPHSDUYWJDXJN-UHFFFAOYSA-N 0 0 336.262 5.606 20 0 EKADRN CCOc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000007310493 210782625 /nfs/dbraw/zinc/78/26/25/210782625.db2.gz QIDPTVUCNKIGLD-UHFFFAOYSA-N 0 0 349.455 5.165 20 0 EKADRN CSc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000007401746 201720016 /nfs/dbraw/zinc/72/00/16/201720016.db2.gz NQQUATNVMQDMKO-UHFFFAOYSA-N 0 0 327.493 5.908 20 0 EKADRN CC[C@@H](C)[C@H](C(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000007407050 210796292 /nfs/dbraw/zinc/79/62/92/210796292.db2.gz YUZUKIDVMDOJJV-DYVFJYSZSA-N 0 0 333.378 5.056 20 0 EKADRN Cc1nc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cs1 ZINC000007437918 210801109 /nfs/dbraw/zinc/80/11/09/210801109.db2.gz HCVHBEZZECIDCA-UHFFFAOYSA-N 0 0 334.400 5.117 20 0 EKADRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000007603209 210819322 /nfs/dbraw/zinc/81/93/22/210819322.db2.gz XWSGXHCRBSCKRK-LLVKDONJSA-N 0 0 340.275 5.254 20 0 EKADRN CCc1cccc(C)c1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000007653490 210826756 /nfs/dbraw/zinc/82/67/56/210826756.db2.gz JTOSOEMNUVVFBT-UHFFFAOYSA-N 0 0 331.415 5.602 20 0 EKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000007668848 210829398 /nfs/dbraw/zinc/82/93/98/210829398.db2.gz MMSHUMUAZOXGKR-OAHLLOKOSA-N 0 0 343.442 5.479 20 0 EKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000007668850 201725454 /nfs/dbraw/zinc/72/54/54/201725454.db2.gz MMSHUMUAZOXGKR-HNNXBMFYSA-N 0 0 343.442 5.479 20 0 EKADRN CC(C)c1cccc(C(C)C)c1NC(=O)Cc1c[nH]c2ccccc12 ZINC000007668966 210828777 /nfs/dbraw/zinc/82/87/77/210828777.db2.gz PTHBQEKGABYDPV-UHFFFAOYSA-N 0 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ZINC000055617754 214333861 /nfs/dbraw/zinc/33/38/61/214333861.db2.gz DRIXTNAEBWOHFB-UHFFFAOYSA-N 0 0 330.236 5.014 20 0 EKADRN O=C(Nc1ccc(F)cc1F)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000056066629 214355644 /nfs/dbraw/zinc/35/56/44/214355644.db2.gz CYKCVLSZFBMWGI-UHFFFAOYSA-N 0 0 341.144 5.005 20 0 EKADRN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000056543191 214379309 /nfs/dbraw/zinc/37/93/09/214379309.db2.gz MICNEBSPHLAGIG-LJQANCHMSA-N 0 0 340.442 5.627 20 0 EKADRN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000056543194 214379385 /nfs/dbraw/zinc/37/93/85/214379385.db2.gz MICNEBSPHLAGIG-IBGZPJMESA-N 0 0 340.442 5.627 20 0 EKADRN CCCc1ccccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1 ZINC000056589296 214380508 /nfs/dbraw/zinc/38/05/08/214380508.db2.gz IOKSJIMTRQPPIL-IBGZPJMESA-N 0 0 326.415 5.147 20 0 EKADRN O=C(Nc1ccccc1Sc1ccccc1)c1cccnc1Cl ZINC000057566338 214436402 /nfs/dbraw/zinc/43/64/02/214436402.db2.gz IRZSUKLPOWYUCG-UHFFFAOYSA-N 0 0 340.835 5.139 20 0 EKADRN 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C[C@H](Sc1nnc(-c2ccccc2)o1)c1ccc(F)c(Cl)c1 ZINC000059927813 214625690 /nfs/dbraw/zinc/62/56/90/214625690.db2.gz MAHPJNIJPNZJRR-JTQLQIEISA-N 0 0 334.803 5.382 20 0 EKADRN Cc1ccccc1S[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000059929236 214625947 /nfs/dbraw/zinc/62/59/47/214625947.db2.gz GKEWKKLQMGZPIV-LBPRGKRZSA-N 0 0 339.382 5.133 20 0 EKADRN Cc1ccccc1S[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000059929241 202779606 /nfs/dbraw/zinc/77/96/06/202779606.db2.gz GKEWKKLQMGZPIV-GFCCVEGCSA-N 0 0 339.382 5.133 20 0 EKADRN Cc1ccccc1S[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000059930214 214625550 /nfs/dbraw/zinc/62/55/50/214625550.db2.gz ISEGHRKCHVZZRV-MRXNPFEDSA-N 0 0 327.493 5.546 20 0 EKADRN Cc1ccccc1NC(=O)[C@H](C)S[C@@H](C)c1ccc(Cl)cc1 ZINC000059932933 214625620 /nfs/dbraw/zinc/62/56/20/214625620.db2.gz OIRHMKPAWXDEMY-KBPBESRZSA-N 0 0 333.884 5.470 20 0 EKADRN Cc1ccccc1NC(=O)[C@H](C)S[C@H](C)c1ccc(Cl)cc1 ZINC000059932939 214625497 /nfs/dbraw/zinc/62/54/97/214625497.db2.gz OIRHMKPAWXDEMY-KGLIPLIRSA-N 0 0 333.884 5.470 20 0 EKADRN C[C@@H](c1ccco1)N(C(=O)c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000060017378 214627217 /nfs/dbraw/zinc/62/72/17/214627217.db2.gz PBMGTIBRQWNTAE-INIZCTEOSA-N 0 0 331.415 5.312 20 0 EKADRN CC(C)c1ccccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000060101185 214628429 /nfs/dbraw/zinc/62/84/29/214628429.db2.gz OMEYAZNDNUZLRE-UHFFFAOYSA-N 0 0 325.305 5.220 20 0 EKADRN Cc1ccc(Cl)cc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000060101206 214629452 /nfs/dbraw/zinc/62/94/52/214629452.db2.gz MQANSTKSDAMBKK-UHFFFAOYSA-N 0 0 331.696 5.059 20 0 EKADRN Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000060101209 214629321 /nfs/dbraw/zinc/62/93/21/214629321.db2.gz MRZVRXNYLSFUDX-UHFFFAOYSA-N 0 0 331.696 5.059 20 0 EKADRN COc1ccccc1S[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000060133454 214629500 /nfs/dbraw/zinc/62/95/00/214629500.db2.gz WYZUBWMEEAVSHL-HXUWFJFHSA-N 0 0 349.455 5.167 20 0 EKADRN Fc1ccccc1CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000060730840 214646890 /nfs/dbraw/zinc/64/68/90/214646890.db2.gz 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Cc1ccc(C[C@H]2CCCN2C(=O)c2cc3ccccc3s2)cc1 ZINC000078692423 203425877 /nfs/dbraw/zinc/42/58/77/203425877.db2.gz OIKNCKOSMOUIEQ-GOSISDBHSA-N 0 0 335.472 5.057 20 0 EKADRN CC[C@H](C(=O)Nc1ccnc(Oc2ccccc2)c1)c1ccccc1 ZINC000078709847 217106851 /nfs/dbraw/zinc/10/68/51/217106851.db2.gz JFDMPCQNYAVGEY-IBGZPJMESA-N 0 0 332.403 5.006 20 0 EKADRN Cc1cc(OC(F)F)c(C(=O)N(C)c2cccc(C(C)C)c2)s1 ZINC000078725515 217108757 /nfs/dbraw/zinc/10/87/57/217108757.db2.gz MXIDOSGFEFCRDO-UHFFFAOYSA-N 0 0 339.407 5.058 20 0 EKADRN CC(C)CC[C@H](NC(=O)c1sccc1Br)C(C)(C)C ZINC000078732718 217111212 /nfs/dbraw/zinc/11/12/12/217111212.db2.gz PLTOYJTXUJSXHO-LBPRGKRZSA-N 0 0 346.334 5.091 20 0 EKADRN CC(C)CC[C@@H](NC(=O)c1sccc1Br)C(C)(C)C ZINC000078732723 217111589 /nfs/dbraw/zinc/11/15/89/217111589.db2.gz PLTOYJTXUJSXHO-GFCCVEGCSA-N 0 0 346.334 5.091 20 0 EKADRN CC(C)[C@H]1CCCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000078769613 217117979 /nfs/dbraw/zinc/11/79/79/217117979.db2.gz XMJHHIQAGSSCOF-JOCHJYFZSA-N 0 0 335.491 5.246 20 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217131813 /nfs/dbraw/zinc/13/18/13/217131813.db2.gz CSPRJBLDOUYCLA-AWEZNQCLSA-N 0 0 341.455 5.023 20 0 EKADRN CC[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000078836919 217132145 /nfs/dbraw/zinc/13/21/45/217132145.db2.gz QDNGQSUPDPALDC-GFCCVEGCSA-N 0 0 347.871 5.130 20 0 EKADRN CC[C@H](C)Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000078836926 217131456 /nfs/dbraw/zinc/13/14/56/217131456.db2.gz QDNGQSUPDPALDC-LBPRGKRZSA-N 0 0 347.871 5.130 20 0 EKADRN Cc1ccc(C[C@@H](C)NC(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000078840239 217132696 /nfs/dbraw/zinc/13/26/96/217132696.db2.gz JVPOXMOHCFZSQA-SNVBAGLBSA-N 0 0 347.867 5.126 20 0 EKADRN Cc1ccc(C[C@H](C)NC(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000078840247 217132801 /nfs/dbraw/zinc/13/28/01/217132801.db2.gz JVPOXMOHCFZSQA-JTQLQIEISA-N 0 0 347.867 5.126 20 0 EKADRN Cc1occc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000078962166 203434921 /nfs/dbraw/zinc/43/49/21/203434921.db2.gz JVZWXVRGVQGXFW-UHFFFAOYSA-N 0 0 334.400 5.117 20 0 EKADRN C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1nnc(-c2ccccc2)o1 ZINC000096995740 218910415 /nfs/dbraw/zinc/91/04/15/218910415.db2.gz FFJIVTGNYOBTKC-SNVBAGLBSA-N 0 0 335.190 5.183 20 0 EKADRN Cc1cccc([C@@H](C)[S@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000097014829 218914567 /nfs/dbraw/zinc/91/45/67/218914567.db2.gz GFVLRAOCKANJDM-JRLRZGBRSA-N 0 0 339.460 5.221 20 0 EKADRN Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(C)n1 ZINC000097040282 218926885 /nfs/dbraw/zinc/92/68/85/218926885.db2.gz BYNZJBVPCPSURB-UHFFFAOYSA-N 0 0 340.810 5.173 20 0 EKADRN FC(F)n1ccnc1CNc1cc(Cl)ccc1Oc1ccccc1 ZINC000097058732 203913356 /nfs/dbraw/zinc/91/33/56/203913356.db2.gz VNDCXDCYPKUTCW-UHFFFAOYSA-N 0 0 349.768 5.336 20 0 EKADRN CCc1oc2ccccc2c1CN(C)C(=O)Nc1c(C)cccc1C ZINC000097306747 219010465 /nfs/dbraw/zinc/01/04/65/219010465.db2.gz KOEKDWOXOKQMJR-UHFFFAOYSA-N 0 0 336.435 5.276 20 0 EKADRN C[C@H](c1ccccc1)N(C)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000097308158 219012110 /nfs/dbraw/zinc/01/21/10/219012110.db2.gz OSEZWCHTCYOISE-CQSZACIVSA-N 0 0 337.448 5.035 20 0 EKADRN CC[C@H](Nc1ccc(NC(=O)C(C)C)cc1)c1ccc(Cl)cc1 ZINC000097393578 219022073 /nfs/dbraw/zinc/02/20/73/219022073.db2.gz YULINZCFSGWQIL-SFHVURJKSA-N 0 0 330.859 5.498 20 0 EKADRN CC[C@@H](Nc1ccc(NC(=O)C(C)C)cc1)c1ccc(Cl)cc1 ZINC000097393579 219022030 /nfs/dbraw/zinc/02/20/30/219022030.db2.gz YULINZCFSGWQIL-GOSISDBHSA-N 0 0 330.859 5.498 20 0 EKADRN C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393710 219021775 /nfs/dbraw/zinc/02/17/75/219021775.db2.gz PMBMNCGKNPAAFN-QWRGUYRKSA-N 0 0 329.312 5.395 20 0 EKADRN C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393711 219021591 /nfs/dbraw/zinc/02/15/91/219021591.db2.gz PMBMNCGKNPAAFN-MNOVXSKESA-N 0 0 329.312 5.395 20 0 EKADRN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000097393712 219021364 /nfs/dbraw/zinc/02/13/64/219021364.db2.gz PMBMNCGKNPAAFN-WDEREUQCSA-N 0 0 329.312 5.395 20 0 EKADRN C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000097393713 219021606 /nfs/dbraw/zinc/02/16/06/219021606.db2.gz 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