smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(CCC(=O)NC2CCCCCC2)c2ccccc21 ZINC000000218387 332967065 /nfs/dbraw/zinc/96/70/65/332967065.db2.gz VKJFTIXPNIEOLH-UHFFFAOYSA-N 0 0 298.430 4.790 20 30 CJEDRN Cc1ccccc1CSCCC(=O)NC1CCCC1 ZINC000003031819 333327066 /nfs/dbraw/zinc/32/70/66/333327066.db2.gz FJIMGJAEMDACLJ-UHFFFAOYSA-N 0 0 277.433 4.517 20 30 CJEDRN O=C(/C=C/c1ccsc1)c1ccc2ccccc2c1 ZINC000005224881 170077501 /nfs/dbraw/zinc/07/75/01/170077501.db2.gz SKAPYXOAIMWASI-VMPITWQZSA-N 0 0 264.349 4.797 20 30 CJEDRN O=C(/C=C/c1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000005280547 170082306 /nfs/dbraw/zinc/08/23/06/170082306.db2.gz BCVIZJTYUVWPOB-KPKJPENVSA-N 0 0 276.310 4.875 20 30 CJEDRN CCOc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 ZINC000005464978 170101742 /nfs/dbraw/zinc/10/17/42/170101742.db2.gz GGOYJPNYLCAKIL-XGICHPGQSA-N 0 0 286.758 4.635 20 30 CJEDRN O=C(/C=C/c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000005704918 170131263 /nfs/dbraw/zinc/13/12/63/170131263.db2.gz JINCNZTUIKSEBN-MDZDMXLPSA-N 0 0 282.726 4.982 20 30 CJEDRN O=C1c2ccccc2SC/C1=C\c1ccc(Cl)cc1 ZINC000006041567 170170684 /nfs/dbraw/zinc/17/06/84/170170684.db2.gz YSJUUWPEUQHPJQ-FMIVXFBMSA-N 0 0 286.783 4.712 20 30 CJEDRN CCCC[C@@H](CC)C(=O)Nc1sc(C)c(CC)c1C#N ZINC000006042816 170171386 /nfs/dbraw/zinc/17/13/86/170171386.db2.gz ZRYXUPPLBQNZQL-GFCCVEGCSA-N 0 0 292.448 4.646 20 30 CJEDRN CCCC[C@H](CC)C(=O)Nc1sc(C)c(CC)c1C#N ZINC000006043002 170171305 /nfs/dbraw/zinc/17/13/05/170171305.db2.gz ZRYXUPPLBQNZQL-LBPRGKRZSA-N 0 0 292.448 4.646 20 30 CJEDRN O=C(/C=C/c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000006092674 170175846 /nfs/dbraw/zinc/17/58/46/170175846.db2.gz NQCSRJAUPXKFRS-FNORWQNLSA-N 0 0 283.179 4.951 20 30 CJEDRN O=C(/C=C/c1ccccc1Cl)c1cc2ccccc2o1 ZINC000006243989 170184877 /nfs/dbraw/zinc/18/48/77/170184877.db2.gz RPCFWFNIDTXDCX-MDZDMXLPSA-N 0 0 282.726 4.982 20 30 CJEDRN O=C1/C(=C/c2ccsc2)CC/C1=C\c1ccsc1 ZINC000006338702 170193602 /nfs/dbraw/zinc/19/36/02/170193602.db2.gz XXBOXAIMRYLELK-FNCQTZNRSA-N 0 0 272.394 4.640 20 30 CJEDRN O=C(/C=C/c1ccccc1F)c1ccc2ccccc2c1 ZINC000006339449 170193954 /nfs/dbraw/zinc/19/39/54/170193954.db2.gz VIKKWGBRCIPPBX-VAWYXSNFSA-N 0 0 276.310 4.875 20 30 CJEDRN c1sc(N=NC2CCCCCC2)nc1-c1ccccc1 ZINC000007350021 170278708 /nfs/dbraw/zinc/27/87/08/170278708.db2.gz HFWROKPXAPGNOY-UHFFFAOYSA-N 0 0 285.416 4.932 20 30 in-vivo CJEDRN N#Cc1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1 ZINC000007717297 170299038 /nfs/dbraw/zinc/29/90/38/170299038.db2.gz DCBNXDYUXMSASV-VMPITWQZSA-N 0 0 296.782 4.992 20 30 CJEDRN COc1ccc(/C=C/C(=O)c2cccc3ccccc32)cc1 ZINC000007717984 170298981 /nfs/dbraw/zinc/29/89/81/170298981.db2.gz GGXMINHUYKSEJQ-SDNWHVSQSA-N 0 0 288.346 4.745 20 30 CJEDRN O=C(/C=C/c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000007741892 170300040 /nfs/dbraw/zinc/30/00/40/170300040.db2.gz SYKOIJRBRVZDBQ-FPYGCLRLSA-N 0 0 293.149 4.595 20 30 CJEDRN CC(C)(C)CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000007842931 170304575 /nfs/dbraw/zinc/30/45/75/170304575.db2.gz QZDYMZBMKOOQNE-UHFFFAOYSA-N 0 0 293.366 4.567 20 30 CJEDRN O=C(/C=C/c1ccccc1)c1cccc(Cl)c1Cl ZINC000008380739 170334154 /nfs/dbraw/zinc/33/41/54/170334154.db2.gz PHUNVIASHRARSS-MDZDMXLPSA-N 0 0 277.150 4.890 20 30 CJEDRN Cc1cc(C)c(C#N)c(S[C@H](C)c2ccc(F)cc2)n1 ZINC000010266845 170402060 /nfs/dbraw/zinc/40/20/60/170402060.db2.gz VHTKHHLWCBWRIF-GFCCVEGCSA-N 0 0 286.375 4.563 20 30 CJEDRN Cc1ccc(C(C)C)c(OCc2ccccc2C#N)c1 ZINC000011834172 170445490 /nfs/dbraw/zinc/44/54/90/170445490.db2.gz ZPGOPCQGBAKJAH-UHFFFAOYSA-N 0 0 265.356 4.569 20 30 CJEDRN Cc1ccc(C(C)C)c(OCc2ccc(C#N)cc2)c1 ZINC000011834298 265307944 /nfs/dbraw/zinc/30/79/44/265307944.db2.gz VRDBDACAGMRJOK-UHFFFAOYSA-N 0 0 265.356 4.569 20 30 CJEDRN CCC(C)(C)NC(=S)Nc1cc(Cl)ccc1C ZINC000013823569 170600037 /nfs/dbraw/zinc/60/00/37/170600037.db2.gz SITYSJIALUZRFV-UHFFFAOYSA-N 0 0 270.829 4.535 20 30 CJEDRN Cc1ccc2nc(/C=C/c3cccc(C#N)c3)ccc2c1 ZINC000014179303 170621561 /nfs/dbraw/zinc/62/15/61/170621561.db2.gz DQGZUYHXPYRMLA-SOFGYWHQSA-N 0 0 270.335 4.585 20 30 CJEDRN N#Cc1cccc(/C=C/c2nc3cc(Cl)ccc3s2)c1 ZINC000014179566 265661312 /nfs/dbraw/zinc/66/13/12/265661312.db2.gz QTTYICDCIQWGHP-QPJJXVBHSA-N 0 0 296.782 4.992 20 30 CJEDRN CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(C#N)cc2)cc1 ZINC000016323084 170693385 /nfs/dbraw/zinc/69/33/85/170693385.db2.gz JUQRNKGISDPQSD-MDWZMJQESA-N 0 0 289.378 4.752 20 30 CJEDRN Cc1cc(/C=C/C(=O)c2ccc(Cl)cc2)cc(C)c1O ZINC000016405830 170696134 /nfs/dbraw/zinc/69/61/34/170696134.db2.gz IDNZQWAOIWOIKU-FPYGCLRLSA-N 0 0 286.758 4.559 20 30 CJEDRN CC(C)c1cccc(N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000019232405 327867924 /nfs/dbraw/zinc/86/79/24/327867924.db2.gz XYQSPUSTWSMBTK-AWEZNQCLSA-N 0 0 264.372 4.855 20 30 CJEDRN CC(C)c1cccc(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000019232406 327867959 /nfs/dbraw/zinc/86/79/59/327867959.db2.gz XYQSPUSTWSMBTK-CQSZACIVSA-N 0 0 264.372 4.855 20 30 CJEDRN N#Cc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1 ZINC000019804562 170873720 /nfs/dbraw/zinc/87/37/20/170873720.db2.gz ZHVXNQWYHGDAMI-UHFFFAOYSA-N 0 0 299.544 4.706 20 30 CJEDRN N#Cc1cccc(CSc2ccccc2Cl)c1 ZINC000019847605 184534953 /nfs/dbraw/zinc/53/49/53/184534953.db2.gz RTOCFDDTKXVJFW-UHFFFAOYSA-N 0 0 259.761 4.504 20 30 CJEDRN C[C@H](Nc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000019900833 170913122 /nfs/dbraw/zinc/91/31/22/170913122.db2.gz BVRGYVAMOYJEBU-AWEZNQCLSA-N 0 0 272.351 4.885 20 30 CJEDRN C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000019905259 170916930 /nfs/dbraw/zinc/91/69/30/170916930.db2.gz LLVJRGZOBWAZJC-NSHDSACASA-N 0 0 290.288 4.750 20 30 CJEDRN Cc1c(Cl)cccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000019905479 327876555 /nfs/dbraw/zinc/87/65/55/327876555.db2.gz XMRDOWKLTBZJAL-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1c(Cl)cccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000019905480 327876640 /nfs/dbraw/zinc/87/66/40/327876640.db2.gz XMRDOWKLTBZJAL-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN C[C@@H](Nc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000019951175 170939579 /nfs/dbraw/zinc/93/95/79/170939579.db2.gz LHSGMWBOVYLUSJ-LLVKDONJSA-N 0 0 290.288 4.750 20 30 CJEDRN CC(C)Oc1ccc([C@@H](C)Nc2ccc(C#N)cc2)cc1 ZINC000019951387 170939808 /nfs/dbraw/zinc/93/98/08/170939808.db2.gz OIKROPBTAYKNBZ-CQSZACIVSA-N 0 0 280.371 4.519 20 30 CJEDRN C[C@@H](Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019951637 170939665 /nfs/dbraw/zinc/93/96/65/170939665.db2.gz BHFIKGFNZMUSDN-LLVKDONJSA-N 0 0 290.288 4.750 20 30 CJEDRN C[C@H](Nc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019951641 170939637 /nfs/dbraw/zinc/93/96/37/170939637.db2.gz BHFIKGFNZMUSDN-NSHDSACASA-N 0 0 290.288 4.750 20 30 CJEDRN Cc1ccc(C(C)C)c(OCc2ccc(C#N)cc2F)c1 ZINC000019993831 262212440 /nfs/dbraw/zinc/21/24/40/262212440.db2.gz RWTVTUFNBBWHPY-UHFFFAOYSA-N 0 0 283.346 4.708 20 30 CJEDRN Cc1ccc(SCc2ccc(C#N)cc2F)c(C)c1 ZINC000020005845 170967314 /nfs/dbraw/zinc/96/73/14/170967314.db2.gz FFKXDUOIODQSMF-UHFFFAOYSA-N 0 0 271.360 4.607 20 30 CJEDRN N#Cc1ccc(F)c(COc2ccc(Cl)cc2Cl)c1 ZINC000020022189 262226015 /nfs/dbraw/zinc/22/60/15/262226015.db2.gz CIFJHHYNSXCBHF-UHFFFAOYSA-N 0 0 296.128 4.583 20 30 CJEDRN N#Cc1ccc(CNc2cc(Cl)ccc2Cl)c(F)c1 ZINC000020038860 170975254 /nfs/dbraw/zinc/97/52/54/170975254.db2.gz LYBIIQSZJNHTOF-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN N#Cc1ccc(CNc2ccc(Cl)cc2Cl)c(F)c1 ZINC000020042839 170976629 /nfs/dbraw/zinc/97/66/29/170976629.db2.gz HMVYTYGTMKOBKZ-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN N#Cc1ccc(F)c(CNc2ccc(Cl)cc2Cl)c1 ZINC000020042842 170976719 /nfs/dbraw/zinc/97/67/19/170976719.db2.gz LTYMUKMGRQQMFQ-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN N#Cc1ccc(CNc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000020048469 170978284 /nfs/dbraw/zinc/97/82/84/170978284.db2.gz IYTLCXOJTXXTLJ-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 ZINC000020429890 262249943 /nfs/dbraw/zinc/24/99/43/262249943.db2.gz VDBIQKQAGUAVPQ-SNVBAGLBSA-N 0 0 274.726 4.524 20 30 CJEDRN C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1 ZINC000020429891 262249676 /nfs/dbraw/zinc/24/96/76/262249676.db2.gz VDBIQKQAGUAVPQ-JTQLQIEISA-N 0 0 274.726 4.524 20 30 CJEDRN Cc1ccc(N[C@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000020471276 171213612 /nfs/dbraw/zinc/21/36/12/171213612.db2.gz BTXRCASDGMSIPK-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1ccc(N[C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000020471277 171213742 /nfs/dbraw/zinc/21/37/42/171213742.db2.gz BTXRCASDGMSIPK-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN CC(C)Oc1ccc(N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000020472913 171215818 /nfs/dbraw/zinc/21/58/18/171215818.db2.gz ZTCKZXAARBDXBB-AWEZNQCLSA-N 0 0 280.371 4.519 20 30 CJEDRN CC(C)Oc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000020472914 171215792 /nfs/dbraw/zinc/21/57/92/171215792.db2.gz ZTCKZXAARBDXBB-CQSZACIVSA-N 0 0 280.371 4.519 20 30 CJEDRN N#Cc1cccc(CNc2ccccc2-c2ccccc2)c1 ZINC000020542661 171242591 /nfs/dbraw/zinc/24/25/91/171242591.db2.gz WVRWNERDHLOLJG-UHFFFAOYSA-N 0 0 284.362 4.837 20 30 CJEDRN Cc1ccc(C)c(SCc2ccc(C#N)cc2F)c1 ZINC000020546072 262249350 /nfs/dbraw/zinc/24/93/50/262249350.db2.gz SZKCHRPDNIWQHJ-UHFFFAOYSA-N 0 0 271.360 4.607 20 30 CJEDRN N#Cc1ccccc1CSc1ccccc1Cl ZINC000020555561 171250021 /nfs/dbraw/zinc/25/00/21/171250021.db2.gz LMIHHVBMUVTKNP-UHFFFAOYSA-N 0 0 259.761 4.504 20 30 CJEDRN N#Cc1ccc(COc2cccc(Cl)c2Cl)c(F)c1 ZINC000020557935 171250539 /nfs/dbraw/zinc/25/05/39/171250539.db2.gz QPIOOJXOVOSUDL-UHFFFAOYSA-N 0 0 296.128 4.583 20 30 CJEDRN Cc1ccc(C)c(SCc2cc(C#N)ccc2F)c1 ZINC000020559592 171251150 /nfs/dbraw/zinc/25/11/50/171251150.db2.gz LSRZJNHCYRZEEL-UHFFFAOYSA-N 0 0 271.360 4.607 20 30 CJEDRN N#Cc1ccc(CSc2ccccc2Cl)c(F)c1 ZINC000020565652 171254168 /nfs/dbraw/zinc/25/41/68/171254168.db2.gz QZCKRWWKAANXHS-UHFFFAOYSA-N 0 0 277.751 4.643 20 30 CJEDRN N#Cc1ccc(F)c(CSc2ccc(Cl)cc2)c1 ZINC000020567511 171255257 /nfs/dbraw/zinc/25/52/57/171255257.db2.gz NGNBXEHGVAQUSE-UHFFFAOYSA-N 0 0 277.751 4.643 20 30 CJEDRN N#Cc1cccc(CNc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000020827033 171273942 /nfs/dbraw/zinc/27/39/42/171273942.db2.gz JIEYEEFAWBECAI-UHFFFAOYSA-N 0 0 296.373 4.742 20 30 CJEDRN N#Cc1ccc(CNc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000020827058 171274001 /nfs/dbraw/zinc/27/40/01/171274001.db2.gz IVYHPVDALXXWRI-UHFFFAOYSA-N 0 0 296.373 4.742 20 30 CJEDRN N#Cc1ccc(COc2ccc(Cl)cc2Cl)c(F)c1 ZINC000021012274 171287665 /nfs/dbraw/zinc/28/76/65/171287665.db2.gz OACNMEMWEATPSJ-UHFFFAOYSA-N 0 0 296.128 4.583 20 30 CJEDRN CCC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000021012526 171288111 /nfs/dbraw/zinc/28/81/11/171288111.db2.gz CQFFOSXUTAMLMS-QGZVFWFLSA-N 0 0 250.345 4.512 20 30 CJEDRN CCC[C@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000021012527 171287933 /nfs/dbraw/zinc/28/79/33/171287933.db2.gz CQFFOSXUTAMLMS-KRWDZBQOSA-N 0 0 250.345 4.512 20 30 CJEDRN N#Cc1ccc(COc2cc(Cl)ccc2Cl)c(F)c1 ZINC000021013199 262373807 /nfs/dbraw/zinc/37/38/07/262373807.db2.gz BHYAZXRFONDIQJ-UHFFFAOYSA-N 0 0 296.128 4.583 20 30 CJEDRN C=CCOc1ccc(CNc2cccc(SC)c2)cc1 ZINC000021014806 262374062 /nfs/dbraw/zinc/37/40/62/262374062.db2.gz DDETZTKZMFJVCV-UHFFFAOYSA-N 0 0 285.412 4.585 20 30 CJEDRN C[C@@H](Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000021027073 171291111 /nfs/dbraw/zinc/29/11/11/171291111.db2.gz GCIWMTHYVVXLIW-CQSZACIVSA-N 0 0 272.351 4.885 20 30 CJEDRN C[C@H](Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000021027080 171291239 /nfs/dbraw/zinc/29/12/39/171291239.db2.gz GCIWMTHYVVXLIW-AWEZNQCLSA-N 0 0 272.351 4.885 20 30 CJEDRN N#Cc1ccc(CNc2cccc(Cl)c2Cl)c(F)c1 ZINC000021056124 171295825 /nfs/dbraw/zinc/29/58/25/171295825.db2.gz PJWHFHHFRCNWAK-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN N#Cc1ccc(F)c(CNc2cccc(Cl)c2Cl)c1 ZINC000021499814 171304558 /nfs/dbraw/zinc/30/45/58/171304558.db2.gz CXVITCKTKVZXBY-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN N#Cc1ccc(F)c(COc2cc(Cl)ccc2Cl)c1 ZINC000021501355 171305384 /nfs/dbraw/zinc/30/53/84/171305384.db2.gz NLFANFXJQGZVAP-UHFFFAOYSA-N 0 0 296.128 4.583 20 30 CJEDRN Cc1ccc(SCc2cc(C#N)ccc2F)cc1C ZINC000021505928 171307555 /nfs/dbraw/zinc/30/75/55/171307555.db2.gz KKBCEBPSIJCMDN-UHFFFAOYSA-N 0 0 271.360 4.607 20 30 CJEDRN C#Cc1cccc(NCc2c(Cl)cccc2Cl)c1 ZINC000021512700 171311021 /nfs/dbraw/zinc/31/10/21/171311021.db2.gz WIUATPXDPYOXQP-UHFFFAOYSA-N 0 0 276.166 4.587 20 30 CJEDRN N#Cc1ccc(CSc2ccc(Cl)cc2)c(F)c1 ZINC000021516616 171312959 /nfs/dbraw/zinc/31/29/59/171312959.db2.gz FLKWCVYIKVUJHZ-UHFFFAOYSA-N 0 0 277.751 4.643 20 30 CJEDRN Cc1ccc(SCc2ccc(C#N)cc2F)cc1C ZINC000021786765 171322381 /nfs/dbraw/zinc/32/23/81/171322381.db2.gz FNRWRBYWCLNTHE-UHFFFAOYSA-N 0 0 271.360 4.607 20 30 CJEDRN CC[C@@H](Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000021807502 171328248 /nfs/dbraw/zinc/32/82/48/171328248.db2.gz JVXVGKQLFWTKGV-MRXNPFEDSA-N 0 0 270.763 4.775 20 30 CJEDRN CC[C@H](Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000021807504 171328322 /nfs/dbraw/zinc/32/83/22/171328322.db2.gz JVXVGKQLFWTKGV-INIZCTEOSA-N 0 0 270.763 4.775 20 30 CJEDRN CC[C@@H](Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000021810728 171328898 /nfs/dbraw/zinc/32/88/98/171328898.db2.gz GZHPFWQMHPBSSB-MRXNPFEDSA-N 0 0 270.763 4.775 20 30 CJEDRN CC[C@H](Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000021810730 171328804 /nfs/dbraw/zinc/32/88/04/171328804.db2.gz GZHPFWQMHPBSSB-INIZCTEOSA-N 0 0 270.763 4.775 20 30 CJEDRN N#Cc1ccc(F)c(COc2cccc(Cl)c2Cl)c1 ZINC000021811619 171329475 /nfs/dbraw/zinc/32/94/75/171329475.db2.gz JKZGNHVELCUXQO-UHFFFAOYSA-N 0 0 296.128 4.583 20 30 CJEDRN N#Cc1ccc(F)c(CSc2ccccc2Cl)c1 ZINC000021815233 171331985 /nfs/dbraw/zinc/33/19/85/171331985.db2.gz DRQRVQPHJMEINK-UHFFFAOYSA-N 0 0 277.751 4.643 20 30 CJEDRN CCC[C@@H](NC(=O)c1sccc1C)c1ccccc1 ZINC000021928831 327976992 /nfs/dbraw/zinc/97/69/92/327976992.db2.gz XOBUKZFNJRPBFI-CQSZACIVSA-N 0 0 273.401 4.903 20 30 CJEDRN Cc1cc(Cl)ccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000022146981 328129505 /nfs/dbraw/zinc/12/95/05/328129505.db2.gz VZPKXMATROLJCZ-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000022146986 328129661 /nfs/dbraw/zinc/12/96/61/328129661.db2.gz VZPKXMATROLJCZ-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1ccc(C(C)C)c(OCc2cccc(C#N)c2)c1 ZINC000022153329 171360181 /nfs/dbraw/zinc/36/01/81/171360181.db2.gz WYATWFCBMSMUIF-UHFFFAOYSA-N 0 0 265.356 4.569 20 30 CJEDRN N#Cc1cccnc1Oc1ccc(Cl)c2ccccc12 ZINC000022798131 171399277 /nfs/dbraw/zinc/39/92/77/171399277.db2.gz NWJLTIHWZBHUNI-UHFFFAOYSA-N 0 0 280.714 4.552 20 30 CJEDRN Cc1cc(-c2nc(-c3ccc(C#N)cc3)cs2)ccc1F ZINC000023625072 171424767 /nfs/dbraw/zinc/42/47/67/171424767.db2.gz SHESAGVYWKSZQG-UHFFFAOYSA-N 0 0 294.354 4.796 20 30 CJEDRN N#Cc1ccc(/C=C/c2ccc3ccc(Cl)cc3n2)cc1 ZINC000025150421 171449834 /nfs/dbraw/zinc/44/98/34/171449834.db2.gz UULCRKIXQJUORC-WEVVVXLNSA-N 0 0 290.753 4.930 20 30 CJEDRN N#Cc1c(F)cccc1NCc1ccc(Cl)cc1Cl ZINC000026226989 171476207 /nfs/dbraw/zinc/47/62/07/171476207.db2.gz XOXHFTAATUVUII-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN C[C@@H](Nc1cccc(F)c1C#N)c1cc2ccccc2o1 ZINC000026759438 171498551 /nfs/dbraw/zinc/49/85/51/171498551.db2.gz OHSDBKWQRHRFHI-LLVKDONJSA-N 0 0 280.302 4.617 20 30 CJEDRN Cc1cccc(C(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000032266090 171722531 /nfs/dbraw/zinc/72/25/31/171722531.db2.gz PGAOGNJFKYQDSI-HJWRWDBZSA-N 0 0 256.732 4.545 20 30 CJEDRN O=C(/C=C\c1c(Cl)cccc1Cl)c1ccc(O)cc1 ZINC000033374193 171787464 /nfs/dbraw/zinc/78/74/64/171787464.db2.gz QOSCTBAYXJCLFA-HJWRWDBZSA-N 0 0 293.149 4.595 20 30 CJEDRN O=C(/C=C\c1cccc(Cl)c1)c1ccccc1Cl ZINC000033376737 171787619 /nfs/dbraw/zinc/78/76/19/171787619.db2.gz PGNJPPYRDJUKDJ-HJWRWDBZSA-N 0 0 277.150 4.890 20 30 CJEDRN Cc1cc(C)c(/C=C\C(=O)c2cccs2)c(C)c1 ZINC000033387305 171788291 /nfs/dbraw/zinc/78/82/91/171788291.db2.gz SFFZQXNPBRCFJJ-SREVYHEPSA-N 0 0 256.370 4.569 20 30 CJEDRN CCOc1ccccc1/C=C\C(=O)c1ccc(Cl)cc1 ZINC000033410998 171790678 /nfs/dbraw/zinc/79/06/78/171790678.db2.gz XWVJFNKPFLRFSU-XFXZXTDPSA-N 0 0 286.758 4.635 20 30 CJEDRN Cc1ccsc1/C=C/C(=O)c1cccc(OC(F)F)c1 ZINC000033580299 525816338 /nfs/dbraw/zinc/81/63/38/525816338.db2.gz MGWQCXHWELJVOV-AATRIKPKSA-N 0 0 294.322 4.554 20 30 CJEDRN O=C(/C=C\c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000034910336 171893109 /nfs/dbraw/zinc/89/31/09/171893109.db2.gz PBGSCTPDAVCTBJ-KTKRTIGZSA-N 0 0 276.257 4.602 20 30 CJEDRN CC(C)(C)c1ccc(CNc2ccc(CC#N)cc2)cc1 ZINC000035046245 171949405 /nfs/dbraw/zinc/94/94/05/171949405.db2.gz DHRRUUAGJUVMIV-UHFFFAOYSA-N 0 0 278.399 4.662 20 30 CJEDRN CC[C@H](Nc1cccc(F)c1C#N)c1ccc(C)cc1 ZINC000035134967 172001738 /nfs/dbraw/zinc/00/17/38/172001738.db2.gz ZEKWRPTYINMCAT-INIZCTEOSA-N 0 0 268.335 4.569 20 30 CJEDRN CC[C@@H](Nc1cccc(F)c1C#N)c1ccc(C)cc1 ZINC000035134968 172001470 /nfs/dbraw/zinc/00/14/70/172001470.db2.gz ZEKWRPTYINMCAT-MRXNPFEDSA-N 0 0 268.335 4.569 20 30 CJEDRN CCC[C@H](Nc1cccc(F)c1C#N)c1ccccc1 ZINC000035135157 172002524 /nfs/dbraw/zinc/00/25/24/172002524.db2.gz RSGBHQPMEODSDT-INIZCTEOSA-N 0 0 268.335 4.651 20 30 CJEDRN CCC[C@@H](Nc1cccc(F)c1C#N)c1ccccc1 ZINC000035135158 172002045 /nfs/dbraw/zinc/00/20/45/172002045.db2.gz RSGBHQPMEODSDT-MRXNPFEDSA-N 0 0 268.335 4.651 20 30 CJEDRN CSc1ccc(CNc2ccc(Cl)c(C#N)c2)cc1 ZINC000035224481 172068483 /nfs/dbraw/zinc/06/84/83/172068483.db2.gz AEYLOHLJYVGNOK-UHFFFAOYSA-N 0 0 288.803 4.546 20 30 CJEDRN N#Cc1cc(NCc2ccc(Cl)s2)ccc1Cl ZINC000035224483 172068609 /nfs/dbraw/zinc/06/86/09/172068609.db2.gz UOTSFQIMRITTCE-UHFFFAOYSA-N 0 0 283.183 4.539 20 30 CJEDRN Cc1cc([C@@H](C)Nc2cccc(F)c2C#N)c(C)s1 ZINC000035237026 172075540 /nfs/dbraw/zinc/07/55/40/172075540.db2.gz KTVFYVUATHMJPK-SNVBAGLBSA-N 0 0 274.364 4.549 20 30 CJEDRN Cc1cc([C@H](C)Nc2cccc(F)c2C#N)c(C)s1 ZINC000035237027 172075334 /nfs/dbraw/zinc/07/53/34/172075334.db2.gz KTVFYVUATHMJPK-JTQLQIEISA-N 0 0 274.364 4.549 20 30 CJEDRN N#Cc1ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000035254948 326815358 /nfs/dbraw/zinc/81/53/58/326815358.db2.gz ULRAWSRUCRWDDG-QGZVFWFLSA-N 0 0 282.774 4.775 20 30 CJEDRN N#Cc1ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000035254949 330244559 /nfs/dbraw/zinc/24/45/59/330244559.db2.gz ULRAWSRUCRWDDG-KRWDZBQOSA-N 0 0 282.774 4.775 20 30 CJEDRN N#Cc1c(F)cccc1NCc1c(Cl)cccc1Cl ZINC000036138680 172462871 /nfs/dbraw/zinc/46/28/71/172462871.db2.gz AITIYMSDRNUTJH-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN CCCOc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000036955557 327248889 /nfs/dbraw/zinc/24/88/89/327248889.db2.gz MXPGMRCUQUALOK-AWEZNQCLSA-N 0 0 280.371 4.520 20 30 CJEDRN CCCOc1ccccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000036955558 327304414 /nfs/dbraw/zinc/30/44/14/327304414.db2.gz MXPGMRCUQUALOK-CQSZACIVSA-N 0 0 280.371 4.520 20 30 CJEDRN C[C@@H]1C[C@H]1c1ccc(CNc2ccc(C#N)c(Cl)c2)o1 ZINC000036964006 333443122 /nfs/dbraw/zinc/44/31/22/333443122.db2.gz UMVKRNBBKYHFAI-QMTHXVAHSA-N 0 0 286.762 4.540 20 30 CJEDRN C[C@H]1C[C@H]1c1ccc(CNc2ccc(C#N)c(Cl)c2)o1 ZINC000036964007 333443317 /nfs/dbraw/zinc/44/33/17/333443317.db2.gz UMVKRNBBKYHFAI-IINYFYTJSA-N 0 0 286.762 4.540 20 30 CJEDRN Cc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000036973533 260061045 /nfs/dbraw/zinc/06/10/45/260061045.db2.gz RGYKZMFYZIBLTO-UHFFFAOYSA-N 0 0 296.317 4.559 20 30 CJEDRN Cc1ccsc1CNc1ccc(C#N)cc1C(F)(F)F ZINC000036973626 525861346 /nfs/dbraw/zinc/86/13/46/525861346.db2.gz QFKZKWNPPNQERR-UHFFFAOYSA-N 0 0 296.317 4.559 20 30 CJEDRN C[C@H](Nc1ccc(CC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000037071219 333472249 /nfs/dbraw/zinc/47/22/49/333472249.db2.gz LPKOYXRNMRPJDS-NSHDSACASA-N 0 0 288.753 4.718 20 30 CJEDRN C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(F)c(Cl)c1 ZINC000037071220 333472250 /nfs/dbraw/zinc/47/22/50/333472250.db2.gz LPKOYXRNMRPJDS-LLVKDONJSA-N 0 0 288.753 4.718 20 30 CJEDRN N#CCc1ccc(NCc2cccc(Cl)c2Cl)cc1 ZINC000037071245 333472189 /nfs/dbraw/zinc/47/21/89/333472189.db2.gz GMLINWLDUCMKCP-UHFFFAOYSA-N 0 0 291.181 4.672 20 30 CJEDRN C[C@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000037071315 333472289 /nfs/dbraw/zinc/47/22/89/333472289.db2.gz RZNJYMSGSVLOLI-LBPRGKRZSA-N 0 0 270.763 4.579 20 30 CJEDRN C[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000037071316 333472187 /nfs/dbraw/zinc/47/21/87/333472187.db2.gz RZNJYMSGSVLOLI-GFCCVEGCSA-N 0 0 270.763 4.579 20 30 CJEDRN C[C@H](Nc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000037071342 172932285 /nfs/dbraw/zinc/93/22/85/172932285.db2.gz VJWVOVJNEHBDGM-LBPRGKRZSA-N 0 0 270.763 4.579 20 30 CJEDRN C[C@H](Nc1ccc(CC#N)cc1)c1cc2ccccc2o1 ZINC000037071360 333472205 /nfs/dbraw/zinc/47/22/05/333472205.db2.gz UPWCIJYLCVOALA-ZDUSSCGKSA-N 0 0 276.339 4.672 20 30 CJEDRN C[C@@H](Nc1ccc(CC#N)cc1)c1cc2ccccc2o1 ZINC000037071361 333472194 /nfs/dbraw/zinc/47/21/94/333472194.db2.gz UPWCIJYLCVOALA-CYBMUJFWSA-N 0 0 276.339 4.672 20 30 CJEDRN N#CCc1ccc(N[C@H]2CCCCc3ccccc32)cc1 ZINC000037071416 333472214 /nfs/dbraw/zinc/47/22/14/333472214.db2.gz BVLPRMOLYWEXTL-IBGZPJMESA-N 0 0 276.383 4.632 20 30 CJEDRN CC[C@@H](Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000037071478 172932299 /nfs/dbraw/zinc/93/22/99/172932299.db2.gz DZUSPCPRWDVSDH-QGZVFWFLSA-N 0 0 284.790 4.969 20 30 CJEDRN N#CCc1ccc(NC2CC(c3ccccc3Cl)C2)cc1 ZINC000037071504 333472271 /nfs/dbraw/zinc/47/22/71/333472271.db2.gz JBADCZVQUFXORQ-UHFFFAOYSA-N 0 0 296.801 4.764 20 30 CJEDRN N#CCc1ccc(NC2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000037071513 333472151 /nfs/dbraw/zinc/47/21/51/333472151.db2.gz JJXYIWHROCBVGA-UHFFFAOYSA-N 0 0 296.801 4.764 20 30 CJEDRN N#CCc1ccc(NC2CC(c3cccc(Cl)c3)C2)cc1 ZINC000037071516 333472185 /nfs/dbraw/zinc/47/21/85/333472185.db2.gz KDIPXDHGCLXFQZ-UHFFFAOYSA-N 0 0 296.801 4.764 20 30 CJEDRN Cc1ccc(Cl)cc1N[C@@H](C)c1cccc(C#N)c1 ZINC000037184797 333509799 /nfs/dbraw/zinc/50/97/99/333509799.db2.gz OPNWZQGVJPHAJA-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1ccc(Cl)cc1N[C@H](C)c1cccc(C#N)c1 ZINC000037184798 333509807 /nfs/dbraw/zinc/50/98/07/333509807.db2.gz OPNWZQGVJPHAJA-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000037188588 333510200 /nfs/dbraw/zinc/51/02/00/333510200.db2.gz UPQKCNPDIHULNM-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1ccc(N[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000037188589 333510199 /nfs/dbraw/zinc/51/01/99/333510199.db2.gz UPQKCNPDIHULNM-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN C[C@H](Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000037188660 333510187 /nfs/dbraw/zinc/51/01/87/333510187.db2.gz TVCDIYBDUSFSEU-AWEZNQCLSA-N 0 0 272.351 4.885 20 30 CJEDRN C[C@@H](Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000037188661 333510183 /nfs/dbraw/zinc/51/01/83/333510183.db2.gz TVCDIYBDUSFSEU-CQSZACIVSA-N 0 0 272.351 4.885 20 30 CJEDRN C[C@H](Nc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000037196493 333512051 /nfs/dbraw/zinc/51/20/51/333512051.db2.gz GKSWKUCAEVCRLL-NSHDSACASA-N 0 0 290.288 4.750 20 30 CJEDRN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000037196494 333512115 /nfs/dbraw/zinc/51/21/15/333512115.db2.gz GKSWKUCAEVCRLL-LLVKDONJSA-N 0 0 290.288 4.750 20 30 CJEDRN Cc1c(Cl)cccc1N[C@@H](C)c1cccc(C#N)c1 ZINC000037196746 333512380 /nfs/dbraw/zinc/51/23/80/333512380.db2.gz HNNBNRUQNJKVHM-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1c(Cl)cccc1N[C@H](C)c1cccc(C#N)c1 ZINC000037196747 333512259 /nfs/dbraw/zinc/51/22/59/333512259.db2.gz HNNBNRUQNJKVHM-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN C[C@H](Nc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000037199243 333512922 /nfs/dbraw/zinc/51/29/22/333512922.db2.gz NONBJYHSRRQCSX-NSHDSACASA-N 0 0 290.288 4.750 20 30 CJEDRN C[C@@H](Nc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000037199244 333513044 /nfs/dbraw/zinc/51/30/44/333513044.db2.gz NONBJYHSRRQCSX-LLVKDONJSA-N 0 0 290.288 4.750 20 30 CJEDRN CC(C)c1ccc(N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000037200036 333512927 /nfs/dbraw/zinc/51/29/27/333512927.db2.gz PZIBXOWWZUVQRD-CQSZACIVSA-N 0 0 264.372 4.855 20 30 CJEDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(C#N)cc1 ZINC000037212068 333514620 /nfs/dbraw/zinc/51/46/20/333514620.db2.gz RWOWDRKWOJZQJG-CYBMUJFWSA-N 0 0 276.339 4.786 20 30 CJEDRN Cc1cc(Cl)ccc1N[C@H](C)c1cccc(C#N)c1 ZINC000037217246 333516113 /nfs/dbraw/zinc/51/61/13/333516113.db2.gz PKMSXNQRJHODPV-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN C[C@@H](Nc1ccc(F)c(Cl)c1)c1cccc(C#N)c1 ZINC000037244499 333523353 /nfs/dbraw/zinc/52/33/53/333523353.db2.gz XGJOTRXPPZSWJP-SNVBAGLBSA-N 0 0 274.726 4.524 20 30 CJEDRN C[C@H](Nc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000037250382 173062020 /nfs/dbraw/zinc/06/20/20/173062020.db2.gz RAOIWKBEFBKTPN-JTQLQIEISA-N 0 0 274.726 4.524 20 30 CJEDRN C[C@@H](Nc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000037250384 173062372 /nfs/dbraw/zinc/06/23/72/173062372.db2.gz RAOIWKBEFBKTPN-SNVBAGLBSA-N 0 0 274.726 4.524 20 30 CJEDRN C[C@H](Nc1cc(Cl)ccc1F)c1cccc(C#N)c1 ZINC000037256867 173067502 /nfs/dbraw/zinc/06/75/02/173067502.db2.gz ZIQRNOWBRNWOJQ-JTQLQIEISA-N 0 0 274.726 4.524 20 30 CJEDRN C[C@@H](Nc1cc(Cl)ccc1F)c1cccc(C#N)c1 ZINC000037256869 173067569 /nfs/dbraw/zinc/06/75/69/173067569.db2.gz ZIQRNOWBRNWOJQ-SNVBAGLBSA-N 0 0 274.726 4.524 20 30 CJEDRN CCCOc1ccccc1N[C@H](C)c1cccc(C#N)c1 ZINC000037278245 333530041 /nfs/dbraw/zinc/53/00/41/333530041.db2.gz CUBGPKIUXJLIJV-CQSZACIVSA-N 0 0 280.371 4.520 20 30 CJEDRN C=CCOc1ccccc1CNc1ccccc1SC ZINC000037278985 333530441 /nfs/dbraw/zinc/53/04/41/333530441.db2.gz KSSMOSRYFZJYOT-UHFFFAOYSA-N 0 0 285.412 4.585 20 30 CJEDRN CCCOc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037292450 326843559 /nfs/dbraw/zinc/84/35/59/326843559.db2.gz JXDVFCAOUGHMDP-AWEZNQCLSA-N 0 0 280.371 4.520 20 30 CJEDRN CCCOc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000037292451 333531368 /nfs/dbraw/zinc/53/13/68/333531368.db2.gz JXDVFCAOUGHMDP-CQSZACIVSA-N 0 0 280.371 4.520 20 30 CJEDRN C[C@H](Nc1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000037301107 173107526 /nfs/dbraw/zinc/10/75/26/173107526.db2.gz GQNSYNKGQFFAHC-JTQLQIEISA-N 0 0 274.726 4.524 20 30 CJEDRN C[C@@H](Nc1ccc(Cl)c(F)c1)c1cccc(C#N)c1 ZINC000037301109 173107503 /nfs/dbraw/zinc/10/75/03/173107503.db2.gz GQNSYNKGQFFAHC-SNVBAGLBSA-N 0 0 274.726 4.524 20 30 CJEDRN CC(C)c1ccc(SCC(=O)c2ccc(C#N)cc2)cc1 ZINC000037353924 333532225 /nfs/dbraw/zinc/53/22/25/333532225.db2.gz ZDBSUNGHOQHTKB-UHFFFAOYSA-N 0 0 295.407 4.657 20 30 CJEDRN N#Cc1ccc(NCc2c(F)cccc2Cl)cc1Cl ZINC000037389974 333532710 /nfs/dbraw/zinc/53/27/10/333532710.db2.gz HKLRPEXFNMIHSH-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN 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N#Cc1cc(NCc2cc(Cl)ccc2Cl)ccc1F ZINC000087759284 260225271 /nfs/dbraw/zinc/22/52/71/260225271.db2.gz UELBYBKQWIVQBJ-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN N#CCCCCSc1ccc(Cl)c(Cl)c1 ZINC000088304116 327387788 /nfs/dbraw/zinc/38/77/88/327387788.db2.gz OVOSZOVPBXAQCH-UHFFFAOYSA-N 0 0 260.189 4.779 20 30 CJEDRN Cc1nc(CS[C@@H](C)c2ccc(C#N)cc2)sc1C ZINC000088306823 334335743 /nfs/dbraw/zinc/33/57/43/334335743.db2.gz ODHMCVPKBYWNAP-LBPRGKRZSA-N 0 0 288.441 4.626 20 30 CJEDRN Cc1nc(CS[C@H](C)c2ccc(C#N)cc2)sc1C ZINC000088306824 326882636 /nfs/dbraw/zinc/88/26/36/326882636.db2.gz ODHMCVPKBYWNAP-GFCCVEGCSA-N 0 0 288.441 4.626 20 30 CJEDRN Cc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(C)c1 ZINC000090664439 330394430 /nfs/dbraw/zinc/39/44/30/330394430.db2.gz QVCYXJUROPPIEI-XLIONFOSSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(C)c1 ZINC000090664440 330394471 /nfs/dbraw/zinc/39/44/71/330394471.db2.gz QVCYXJUROPPIEI-PXNSSMCTSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(C)c1 ZINC000090664442 330394427 /nfs/dbraw/zinc/39/44/27/330394427.db2.gz QVCYXJUROPPIEI-YLJYHZDGSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(C)c1 ZINC000090664444 330394534 /nfs/dbraw/zinc/39/45/34/330394534.db2.gz QVCYXJUROPPIEI-FXAWDEMLSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000090664523 330394399 /nfs/dbraw/zinc/39/43/99/330394399.db2.gz SPAKQIYXTDRVOV-XLIONFOSSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1cc(C)cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000090664525 330394414 /nfs/dbraw/zinc/39/44/14/330394414.db2.gz SPAKQIYXTDRVOV-PXNSSMCTSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1cc(C)cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000090664526 330394490 /nfs/dbraw/zinc/39/44/90/330394490.db2.gz SPAKQIYXTDRVOV-YLJYHZDGSA-N 0 0 292.426 4.999 20 30 CJEDRN Cc1cc(C)cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000090664528 330394523 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ZINC000185110795 333135779 /nfs/dbraw/zinc/13/57/79/333135779.db2.gz ZKWQKBJFZUQCFG-NNTXTVRGSA-N 0 0 274.433 4.849 20 30 CJEDRN CC/C=C/CCNc1ccccc1S[C@H](C)CC#N ZINC000185110815 333135818 /nfs/dbraw/zinc/13/58/18/333135818.db2.gz ZKWQKBJFZUQCFG-ISZGNANSSA-N 0 0 274.433 4.849 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1OC1CCCC1 ZINC000185205282 333136748 /nfs/dbraw/zinc/13/67/48/333136748.db2.gz ISHGBIBLGRBGIM-AWEZNQCLSA-N 0 0 287.403 4.549 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1OC1CCCC1 ZINC000185205299 333136833 /nfs/dbraw/zinc/13/68/33/333136833.db2.gz ISHGBIBLGRBGIM-CQSZACIVSA-N 0 0 287.403 4.549 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000185207821 333136764 /nfs/dbraw/zinc/13/67/64/333136764.db2.gz LTBZDLATWLJBRX-XJKSGUPXSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000185207840 333136849 /nfs/dbraw/zinc/13/68/49/333136849.db2.gz LTBZDLATWLJBRX-CZUORRHYSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000185207861 333136824 /nfs/dbraw/zinc/13/68/24/333136824.db2.gz LTBZDLATWLJBRX-BBRMVZONSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000185207877 333136803 /nfs/dbraw/zinc/13/68/03/333136803.db2.gz LTBZDLATWLJBRX-CJNGLKHVSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000185213516 333136830 /nfs/dbraw/zinc/13/68/30/333136830.db2.gz PVMHEUQMSJGKSJ-XJKSGUPXSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000185213530 333136757 /nfs/dbraw/zinc/13/67/57/333136757.db2.gz PVMHEUQMSJGKSJ-CZUORRHYSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000185213549 333136781 /nfs/dbraw/zinc/13/67/81/333136781.db2.gz PVMHEUQMSJGKSJ-BBRMVZONSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000185213568 333136772 /nfs/dbraw/zinc/13/67/72/333136772.db2.gz PVMHEUQMSJGKSJ-CJNGLKHVSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000185218882 333136790 /nfs/dbraw/zinc/13/67/90/333136790.db2.gz FTZRSGDHVDTCOX-FUHWJXTLSA-N 0 0 285.431 4.733 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC000185218895 333136746 /nfs/dbraw/zinc/13/67/46/333136746.db2.gz FTZRSGDHVDTCOX-SJLPKXTDSA-N 0 0 285.431 4.733 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000185218915 333136796 /nfs/dbraw/zinc/13/67/96/333136796.db2.gz FTZRSGDHVDTCOX-WMZOPIPTSA-N 0 0 285.431 4.733 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000185218930 333136838 /nfs/dbraw/zinc/13/68/38/333136838.db2.gz FTZRSGDHVDTCOX-AEFFLSMTSA-N 0 0 285.431 4.733 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000185231001 333137251 /nfs/dbraw/zinc/13/72/51/333137251.db2.gz OEIQWTDFRRDJPE-XJKSGUPXSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000185231015 333137271 /nfs/dbraw/zinc/13/72/71/333137271.db2.gz OEIQWTDFRRDJPE-CZUORRHYSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000185231030 333137167 /nfs/dbraw/zinc/13/71/67/333137167.db2.gz OEIQWTDFRRDJPE-BBRMVZONSA-N 0 0 291.822 4.606 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000185231046 333137282 /nfs/dbraw/zinc/13/72/82/333137282.db2.gz OEIQWTDFRRDJPE-CJNGLKHVSA-N 0 0 291.822 4.606 20 30 CJEDRN CC#CCCCC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000185258891 333137646 /nfs/dbraw/zinc/13/76/46/333137646.db2.gz PAJZKGDCRUICMO-HNNXBMFYSA-N 0 0 297.398 4.536 20 30 CJEDRN CC#CCCCC(=O)N(CC)[C@H](C)c1cc2ccccc2o1 ZINC000185258912 333137737 /nfs/dbraw/zinc/13/77/37/333137737.db2.gz PAJZKGDCRUICMO-OAHLLOKOSA-N 0 0 297.398 4.536 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000185407492 526713816 /nfs/dbraw/zinc/71/38/16/526713816.db2.gz KFCRYXHMHITLPG-HNNXBMFYSA-N 0 0 294.398 4.598 20 30 CJEDRN N#CCCCCSCc1ccc(C(F)F)cc1 ZINC000185643324 262063790 /nfs/dbraw/zinc/06/37/90/262063790.db2.gz OZUIXXQZAUUFPC-UHFFFAOYSA-N 0 0 255.333 4.551 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000185655178 333145830 /nfs/dbraw/zinc/14/58/30/333145830.db2.gz IJAIPJNBKDOWEP-YJBOKZPZSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000185655198 333145816 /nfs/dbraw/zinc/14/58/16/333145816.db2.gz IJAIPJNBKDOWEP-MAUKXSAKSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C ZINC000185655220 333146022 /nfs/dbraw/zinc/14/60/22/333146022.db2.gz IJAIPJNBKDOWEP-QAPCUYQASA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C ZINC000185655237 333145843 /nfs/dbraw/zinc/14/58/43/333145843.db2.gz IJAIPJNBKDOWEP-CRAIPNDOSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000185658619 333146144 /nfs/dbraw/zinc/14/61/44/333146144.db2.gz MAFTWDLWCFWJLB-WMZOPIPTSA-N 0 0 285.431 4.651 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000185658633 333146207 /nfs/dbraw/zinc/14/62/07/333146207.db2.gz MAFTWDLWCFWJLB-FUHWJXTLSA-N 0 0 285.431 4.651 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)cc1 ZINC000185658651 333146204 /nfs/dbraw/zinc/14/62/04/333146204.db2.gz MAFTWDLWCFWJLB-AEFFLSMTSA-N 0 0 285.431 4.651 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)cc1 ZINC000185658666 333146062 /nfs/dbraw/zinc/14/60/62/333146062.db2.gz MAFTWDLWCFWJLB-SJLPKXTDSA-N 0 0 285.431 4.651 20 30 CJEDRN CC#CCCCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000185713470 333146984 /nfs/dbraw/zinc/14/69/84/333146984.db2.gz BLYBFHIVHUZPIV-LJQANCHMSA-N 0 0 297.442 4.551 20 30 CJEDRN CC#CCCCC(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000185713488 333146995 /nfs/dbraw/zinc/14/69/95/333146995.db2.gz BLYBFHIVHUZPIV-IBGZPJMESA-N 0 0 297.442 4.551 20 30 CJEDRN N#C[C@H]1CCC[C@@H](Nc2ccccc2N2CCCCCC2)C1 ZINC000185731649 333147654 /nfs/dbraw/zinc/14/76/54/333147654.db2.gz CXDRIBBADYPDQU-DLBZAZTESA-N 0 0 297.446 4.561 20 30 CJEDRN N#C[C@H]1CCC[C@H](Nc2ccccc2N2CCCCCC2)C1 ZINC000185731669 333147718 /nfs/dbraw/zinc/14/77/18/333147718.db2.gz CXDRIBBADYPDQU-IRXDYDNUSA-N 0 0 297.446 4.561 20 30 CJEDRN N#C[C@@H]1CCC[C@@H](Nc2ccccc2N2CCCCCC2)C1 ZINC000185731688 333147683 /nfs/dbraw/zinc/14/76/83/333147683.db2.gz CXDRIBBADYPDQU-IAGOWNOFSA-N 0 0 297.446 4.561 20 30 CJEDRN N#C[C@@H]1CCC[C@H](Nc2ccccc2N2CCCCCC2)C1 ZINC000185731705 333147658 /nfs/dbraw/zinc/14/76/58/333147658.db2.gz CXDRIBBADYPDQU-SJORKVTESA-N 0 0 297.446 4.561 20 30 CJEDRN N#C[C@H]1CCC[C@@H](Nc2cccc(OC3CCCC3)c2)C1 ZINC000185739723 333147881 /nfs/dbraw/zinc/14/78/81/333147881.db2.gz QFMZSZWBOHKONI-LSDHHAIUSA-N 0 0 284.403 4.502 20 30 CJEDRN N#C[C@H]1CCC[C@H](Nc2cccc(OC3CCCC3)c2)C1 ZINC000185739742 333147889 /nfs/dbraw/zinc/14/78/89/333147889.db2.gz QFMZSZWBOHKONI-GJZGRUSLSA-N 0 0 284.403 4.502 20 30 CJEDRN N#C[C@@H]1CCC[C@@H](Nc2cccc(OC3CCCC3)c2)C1 ZINC000185739760 333147819 /nfs/dbraw/zinc/14/78/19/333147819.db2.gz QFMZSZWBOHKONI-HUUCEWRRSA-N 0 0 284.403 4.502 20 30 CJEDRN N#C[C@@H]1CCC[C@H](Nc2cccc(OC3CCCC3)c2)C1 ZINC000185739780 333147941 /nfs/dbraw/zinc/14/79/41/333147941.db2.gz QFMZSZWBOHKONI-CABCVRRESA-N 0 0 284.403 4.502 20 30 CJEDRN Cc1csc(-c2ccc(N[C@@H]3CCC[C@H](C#N)C3)cc2)n1 ZINC000185743218 333147833 /nfs/dbraw/zinc/14/78/33/333147833.db2.gz OKGRJKMQEJEVHE-XJKSGUPXSA-N 0 0 297.427 4.613 20 30 CJEDRN Cc1csc(-c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2)n1 ZINC000185743237 333147856 /nfs/dbraw/zinc/14/78/56/333147856.db2.gz OKGRJKMQEJEVHE-BBRMVZONSA-N 0 0 297.427 4.613 20 30 CJEDRN Cc1csc(-c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)n1 ZINC000185743257 333147892 /nfs/dbraw/zinc/14/78/92/333147892.db2.gz OKGRJKMQEJEVHE-CZUORRHYSA-N 0 0 297.427 4.613 20 30 CJEDRN Cc1csc(-c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2)n1 ZINC000185743275 333147964 /nfs/dbraw/zinc/14/79/64/333147964.db2.gz OKGRJKMQEJEVHE-CJNGLKHVSA-N 0 0 297.427 4.613 20 30 CJEDRN CC(C)Sc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000185749215 333147956 /nfs/dbraw/zinc/14/79/56/333147956.db2.gz DOTWAAYPDOHISI-UONOGXRCSA-N 0 0 274.433 4.681 20 30 CJEDRN CC(C)Sc1ccccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000185749234 333147940 /nfs/dbraw/zinc/14/79/40/333147940.db2.gz DOTWAAYPDOHISI-KBPBESRZSA-N 0 0 274.433 4.681 20 30 CJEDRN CC(C)Sc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000185749252 333147945 /nfs/dbraw/zinc/14/79/45/333147945.db2.gz DOTWAAYPDOHISI-ZIAGYGMSSA-N 0 0 274.433 4.681 20 30 CJEDRN CC(C)Sc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000185749272 333147827 /nfs/dbraw/zinc/14/78/27/333147827.db2.gz DOTWAAYPDOHISI-KGLIPLIRSA-N 0 0 274.433 4.681 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000185809809 333149502 /nfs/dbraw/zinc/14/95/02/333149502.db2.gz UVLAZJBJYIMZDI-LBPRGKRZSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000185809829 333149471 /nfs/dbraw/zinc/14/94/71/333149471.db2.gz UVLAZJBJYIMZDI-GFCCVEGCSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000185811676 333149469 /nfs/dbraw/zinc/14/94/69/333149469.db2.gz HDWOGZATQFMHGG-LBPRGKRZSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000185811694 333149373 /nfs/dbraw/zinc/14/93/73/333149373.db2.gz HDWOGZATQFMHGG-GFCCVEGCSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000185830548 333149939 /nfs/dbraw/zinc/14/99/39/333149939.db2.gz OWNWMRLNWSHYMX-LBPRGKRZSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CCC(F)(F)F ZINC000185830567 333149885 /nfs/dbraw/zinc/14/98/85/333149885.db2.gz OWNWMRLNWSHYMX-GFCCVEGCSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000185835193 333149904 /nfs/dbraw/zinc/14/99/04/333149904.db2.gz AEQLVYLZZFZADU-LBPRGKRZSA-N 0 0 295.810 4.668 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1OC(C)C ZINC000185835211 333149875 /nfs/dbraw/zinc/14/98/75/333149875.db2.gz AEQLVYLZZFZADU-GFCCVEGCSA-N 0 0 295.810 4.668 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000185863484 333150518 /nfs/dbraw/zinc/15/05/18/333150518.db2.gz GZNGWTXPIIEGEZ-WMZOPIPTSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000185863501 333150539 /nfs/dbraw/zinc/15/05/39/333150539.db2.gz GZNGWTXPIIEGEZ-FUHWJXTLSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000185863524 333150569 /nfs/dbraw/zinc/15/05/69/333150569.db2.gz GZNGWTXPIIEGEZ-AEFFLSMTSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000185863537 333150567 /nfs/dbraw/zinc/15/05/67/333150567.db2.gz GZNGWTXPIIEGEZ-SJLPKXTDSA-N 0 0 285.431 4.569 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 ZINC000185866142 333150509 /nfs/dbraw/zinc/15/05/09/333150509.db2.gz NXJBBRAXEUTVMP-HOCLYGCPSA-N 0 0 289.419 4.634 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 ZINC000185866166 333150555 /nfs/dbraw/zinc/15/05/55/333150555.db2.gz NXJBBRAXEUTVMP-GOEBONIOSA-N 0 0 289.419 4.634 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 ZINC000185866182 333150429 /nfs/dbraw/zinc/15/04/29/333150429.db2.gz NXJBBRAXEUTVMP-ZBFHGGJFSA-N 0 0 289.419 4.634 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 ZINC000185866201 333150608 /nfs/dbraw/zinc/15/06/08/333150608.db2.gz NXJBBRAXEUTVMP-GDBMZVCRSA-N 0 0 289.419 4.634 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000185893762 333151203 /nfs/dbraw/zinc/15/12/03/333151203.db2.gz MJFBKPHOYOOVDS-HNNXBMFYSA-N 0 0 289.419 4.543 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000185893778 333151168 /nfs/dbraw/zinc/15/11/68/333151168.db2.gz MJFBKPHOYOOVDS-OAHLLOKOSA-N 0 0 289.419 4.543 20 30 CJEDRN C=CC[C@H](C(=O)Nc1ccccc1SC)c1ccccc1 ZINC000186017269 333153450 /nfs/dbraw/zinc/15/34/50/333153450.db2.gz BVMOFFRJXNZRLX-HNNXBMFYSA-N 0 0 297.423 4.707 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1ccccc1SC)c1ccccc1 ZINC000186017287 333153547 /nfs/dbraw/zinc/15/35/47/333153547.db2.gz BVMOFFRJXNZRLX-OAHLLOKOSA-N 0 0 297.423 4.707 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000186077302 333154514 /nfs/dbraw/zinc/15/45/14/333154514.db2.gz YQNSRZZKIQPEBQ-JTQLQIEISA-N 0 0 286.202 4.559 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N(C)c1c(Cl)cccc1Cl ZINC000186077318 333154565 /nfs/dbraw/zinc/15/45/65/333154565.db2.gz YQNSRZZKIQPEBQ-SNVBAGLBSA-N 0 0 286.202 4.559 20 30 CJEDRN C=CC[C@H](C(=O)Nc1ccccc1CC)c1ccccc1 ZINC000186095644 333154801 /nfs/dbraw/zinc/15/48/01/333154801.db2.gz ZDXPMWCXPUFCRM-KRWDZBQOSA-N 0 0 279.383 4.547 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1ccccc1CC)c1ccccc1 ZINC000186095659 333154873 /nfs/dbraw/zinc/15/48/73/333154873.db2.gz ZDXPMWCXPUFCRM-QGZVFWFLSA-N 0 0 279.383 4.547 20 30 CJEDRN C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cc(Cl)ccc1Cl ZINC000186175753 262312400 /nfs/dbraw/zinc/31/24/00/262312400.db2.gz JPDGKVDWZZBUCC-LLVKDONJSA-N 0 0 299.245 4.974 20 30 CJEDRN C=CCC[C@H](C)Nc1cccc(COCc2ccco2)c1 ZINC000186270576 327686037 /nfs/dbraw/zinc/68/60/37/327686037.db2.gz WUSILQZYSWPXOD-HNNXBMFYSA-N 0 0 285.387 4.763 20 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/nfs/dbraw/zinc/38/85/97/329388597.db2.gz UJPPSDQJXMFHKZ-CYBMUJFWSA-N 0 0 271.404 4.523 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000189883905 333200006 /nfs/dbraw/zinc/20/00/06/333200006.db2.gz RPYVIAJCTPRQGZ-IAGOWNOFSA-N 0 0 283.415 4.523 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000189883925 333200112 /nfs/dbraw/zinc/20/01/12/333200112.db2.gz RPYVIAJCTPRQGZ-SJORKVTESA-N 0 0 283.415 4.523 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000189883943 333200098 /nfs/dbraw/zinc/20/00/98/333200098.db2.gz RPYVIAJCTPRQGZ-DLBZAZTESA-N 0 0 283.415 4.523 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000189883958 333199980 /nfs/dbraw/zinc/19/99/80/333199980.db2.gz RPYVIAJCTPRQGZ-IRXDYDNUSA-N 0 0 283.415 4.523 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@]1(C)CC ZINC000189884097 333200142 /nfs/dbraw/zinc/20/01/42/333200142.db2.gz NTNHLMJCEISNCM-VQIMIIECSA-N 0 0 285.431 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@]1(C)CC ZINC000189884119 333200092 /nfs/dbraw/zinc/20/00/92/333200092.db2.gz NTNHLMJCEISNCM-APWZRJJASA-N 0 0 285.431 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@]1(C)CC ZINC000189884137 333199956 /nfs/dbraw/zinc/19/99/56/333199956.db2.gz NTNHLMJCEISNCM-QFBILLFUSA-N 0 0 285.431 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@]1(C)CC ZINC000189884156 333200131 /nfs/dbraw/zinc/20/01/31/333200131.db2.gz NTNHLMJCEISNCM-LPHOPBHVSA-N 0 0 285.431 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)/C(=C\C)CC ZINC000189885098 329388943 /nfs/dbraw/zinc/38/89/43/329388943.db2.gz DUQCUYXRXDQLLH-AUWJEWJLSA-N 0 0 271.404 4.833 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC=CCC1 ZINC000189885677 329388698 /nfs/dbraw/zinc/38/86/98/329388698.db2.gz LXVZXPRQFMOXJK-INIZCTEOSA-N 0 0 283.415 4.833 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CCC1 ZINC000189885696 329388963 /nfs/dbraw/zinc/38/89/63/329388963.db2.gz LXVZXPRQFMOXJK-MRXNPFEDSA-N 0 0 283.415 4.833 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccoc1C ZINC000189886958 329388091 /nfs/dbraw/zinc/38/80/91/329388091.db2.gz LWLXWLQAFFVMOH-UHFFFAOYSA-N 0 0 283.371 4.692 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CC1CCC1 ZINC000189889849 329388611 /nfs/dbraw/zinc/38/86/11/329388611.db2.gz LGQFQPOBUDWCKI-UHFFFAOYSA-N 0 0 271.404 4.667 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCCC#CC ZINC000189891093 333200099 /nfs/dbraw/zinc/20/00/99/333200099.db2.gz FYMOIRUMICJPDC-UHFFFAOYSA-N 0 0 283.415 4.671 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCCC ZINC000189891756 329388949 /nfs/dbraw/zinc/38/89/49/329388949.db2.gz GCCGMQTWJLMGNH-UHFFFAOYSA-N 0 0 259.393 4.667 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CC(C)(C)C ZINC000189891984 329388931 /nfs/dbraw/zinc/38/89/31/329388931.db2.gz LWAAFIYYHTUEGD-UHFFFAOYSA-N 0 0 273.420 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)/C=C\C=C\C ZINC000189893036 329388827 /nfs/dbraw/zinc/38/88/27/329388827.db2.gz WNUGLAGTAXFKTA-DUHYVXLSSA-N 0 0 269.388 4.609 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCc1ccoc1 ZINC000189895387 329388093 /nfs/dbraw/zinc/38/80/93/329388093.db2.gz LMPURTXCFBUFNX-UHFFFAOYSA-N 0 0 297.398 4.703 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)C=C1CCC1 ZINC000189895610 329388980 /nfs/dbraw/zinc/38/89/80/329388980.db2.gz DHPVQGFYCRSPQA-UHFFFAOYSA-N 0 0 269.388 4.587 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](CC)SC ZINC000189895819 329388629 /nfs/dbraw/zinc/38/86/29/329388629.db2.gz BTMNJEUQJILAGI-HNNXBMFYSA-N 0 0 291.460 4.619 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](CC)SC ZINC000189895836 329388599 /nfs/dbraw/zinc/38/85/99/329388599.db2.gz BTMNJEUQJILAGI-OAHLLOKOSA-N 0 0 291.460 4.619 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)C[C@@H](C)SC ZINC000189896044 329388955 /nfs/dbraw/zinc/38/89/55/329388955.db2.gz GBXUWBSUYMHQPK-CYBMUJFWSA-N 0 0 291.460 4.619 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)C[C@H](C)SC ZINC000189896066 329388885 /nfs/dbraw/zinc/38/88/85/329388885.db2.gz GBXUWBSUYMHQPK-ZDUSSCGKSA-N 0 0 291.460 4.619 20 30 CJEDRN C#CCCCCC(=O)Nc1c(CC=C)cccc1C(C)C ZINC000189896321 329388917 /nfs/dbraw/zinc/38/89/17/329388917.db2.gz IRKKVFJDGHKUPT-UHFFFAOYSA-N 0 0 283.415 4.671 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1coc(C)c1 ZINC000189896933 329388947 /nfs/dbraw/zinc/38/89/47/329388947.db2.gz YOOKJYPXFGHCPL-UHFFFAOYSA-N 0 0 283.371 4.692 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C)o1 ZINC000189897086 329388904 /nfs/dbraw/zinc/38/89/04/329388904.db2.gz DYCKFSUETCMWQN-UHFFFAOYSA-N 0 0 283.371 4.692 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1occc1C ZINC000189898627 329389169 /nfs/dbraw/zinc/38/91/69/329389169.db2.gz MICSJBSHYYCWMX-UHFFFAOYSA-N 0 0 283.371 4.692 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCC(C)C ZINC000189898859 329388743 /nfs/dbraw/zinc/38/87/43/329388743.db2.gz WOVLATLVFYTKMM-UHFFFAOYSA-N 0 0 273.420 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)C1=CCCC1 ZINC000189901836 329390015 /nfs/dbraw/zinc/39/00/15/329390015.db2.gz DBVDUEBZWPMZNN-UHFFFAOYSA-N 0 0 269.388 4.587 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000189902625 329389877 /nfs/dbraw/zinc/38/98/77/329389877.db2.gz QVZPOEVXYQNCLD-IAGOWNOFSA-N 0 0 285.431 4.769 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000189902644 329389758 /nfs/dbraw/zinc/38/97/58/329389758.db2.gz QVZPOEVXYQNCLD-SJORKVTESA-N 0 0 285.431 4.769 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C(C)C ZINC000189902661 329390045 /nfs/dbraw/zinc/39/00/45/329390045.db2.gz QVZPOEVXYQNCLD-DLBZAZTESA-N 0 0 285.431 4.769 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000189902677 329390047 /nfs/dbraw/zinc/39/00/47/329390047.db2.gz QVZPOEVXYQNCLD-IRXDYDNUSA-N 0 0 285.431 4.769 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)Cc1cccs1 ZINC000189903235 329389954 /nfs/dbraw/zinc/38/99/54/329389954.db2.gz HFGKVTOTGXXFJQ-UHFFFAOYSA-N 0 0 299.439 4.781 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CC(C)C ZINC000189903333 329390002 /nfs/dbraw/zinc/39/00/02/329390002.db2.gz IAJMPGFPXYOEAP-UHFFFAOYSA-N 0 0 259.393 4.523 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccsc1 ZINC000189903944 329390190 /nfs/dbraw/zinc/39/01/90/329390190.db2.gz HFWZSRCHPADENJ-UHFFFAOYSA-N 0 0 285.412 4.852 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)/C(C)=C\CC ZINC000189904781 329390066 /nfs/dbraw/zinc/39/00/66/329390066.db2.gz SEEMVXFLFJNFLL-ZROIWOOFSA-N 0 0 271.404 4.833 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)/C=C(\C)C1CC1 ZINC000189905695 329389857 /nfs/dbraw/zinc/38/98/57/329389857.db2.gz YKYDZIQIWVMSOP-WYMLVPIESA-N 0 0 283.415 4.833 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)C ZINC000189906759 329389863 /nfs/dbraw/zinc/38/98/63/329389863.db2.gz DSUOTXTTXFZNTF-AWEZNQCLSA-N 0 0 273.420 4.769 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)C ZINC000189906770 329389913 /nfs/dbraw/zinc/38/99/13/329389913.db2.gz DSUOTXTTXFZNTF-CQSZACIVSA-N 0 0 273.420 4.769 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1 ZINC000189909265 333200317 /nfs/dbraw/zinc/20/03/17/333200317.db2.gz YTFPSIDLVCFUPZ-UHFFFAOYSA-N 0 0 297.373 4.930 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cccs1 ZINC000189909291 333200358 /nfs/dbraw/zinc/20/03/58/333200358.db2.gz PHVUDBMWIBYETJ-UHFFFAOYSA-N 0 0 285.412 4.852 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)CCC ZINC000189909513 329389875 /nfs/dbraw/zinc/38/98/75/329389875.db2.gz KTUXUUITNWVHQT-CQSZACIVSA-N 0 0 273.420 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CCC ZINC000189909527 329390054 /nfs/dbraw/zinc/39/00/54/329390054.db2.gz KTUXUUITNWVHQT-AWEZNQCLSA-N 0 0 273.420 4.913 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)Cc1ccsc1 ZINC000189909551 329389964 /nfs/dbraw/zinc/38/99/64/329389964.db2.gz FGOTVCNKXYMJRQ-UHFFFAOYSA-N 0 0 299.439 4.781 20 30 CJEDRN C=CC[C@H](C)NC(=O)Nc1c(CCC)cccc1C(C)C ZINC000189954641 333201161 /nfs/dbraw/zinc/20/11/61/333201161.db2.gz CLDWQEAUPGKGCP-AWEZNQCLSA-N 0 0 288.435 4.849 20 30 CJEDRN C=CC[C@@H](C)NC(=O)Nc1c(CCC)cccc1C(C)C ZINC000189954663 333201248 /nfs/dbraw/zinc/20/12/48/333201248.db2.gz CLDWQEAUPGKGCP-CQSZACIVSA-N 0 0 288.435 4.849 20 30 CJEDRN C=C(C)CN(C)C(=O)Nc1c(CCC)cccc1C(C)C ZINC000189958591 333201251 /nfs/dbraw/zinc/20/12/51/333201251.db2.gz LUAHUUOIOPRPPW-UHFFFAOYSA-N 0 0 288.435 4.802 20 30 CJEDRN N#CCCCCSC/C=C/c1ccc(Cl)cc1 ZINC000190105187 333203319 /nfs/dbraw/zinc/20/33/19/333203319.db2.gz IPEQDAPNOOQXNF-SNAWJCMRSA-N 0 0 265.809 4.780 20 30 CJEDRN Cc1cc2ccc(C)nc2c(OCCCC(C)(C)C#N)c1 ZINC000190200193 260268496 /nfs/dbraw/zinc/26/84/96/260268496.db2.gz FMKSLHLWZMYWCO-UHFFFAOYSA-N 0 0 282.387 4.560 20 30 CJEDRN CCc1nc(CS[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000190786790 264923538 /nfs/dbraw/zinc/92/35/38/264923538.db2.gz NSIVSSVMQALXPK-NSHDSACASA-N 0 0 288.441 4.572 20 30 CJEDRN Cc1ccc(CS[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000190828642 328547809 /nfs/dbraw/zinc/54/78/09/328547809.db2.gz WUIORIDIEMWLNU-CQSZACIVSA-N 0 0 282.412 4.565 20 30 CJEDRN C[C@H](SCCCC(C)(C)C#N)c1cccc(C#N)c1 ZINC000190872351 262186433 /nfs/dbraw/zinc/18/64/33/262186433.db2.gz DZJHSCMOLPFMGG-ZDUSSCGKSA-N 0 0 272.417 4.682 20 30 CJEDRN C[C@@H](SCCCC(C)(C)C#N)c1cccc(C#N)c1 ZINC000190872366 262186293 /nfs/dbraw/zinc/18/62/93/262186293.db2.gz DZJHSCMOLPFMGG-CYBMUJFWSA-N 0 0 272.417 4.682 20 30 CJEDRN C[C@@H](SCc1ccc(C#N)cc1F)c1cccc(C#N)c1 ZINC000190877183 533997443 /nfs/dbraw/zinc/99/74/43/533997443.db2.gz PQAYDAOEUWVFLX-GFCCVEGCSA-N 0 0 296.370 4.563 20 30 CJEDRN N#CCCCSCc1cc(-c2ccc(Cl)cc2)no1 ZINC000190897233 262186694 /nfs/dbraw/zinc/18/66/94/262186694.db2.gz QQEDFADHLHYUMS-UHFFFAOYSA-N 0 0 292.791 4.532 20 30 CJEDRN C[C@H](SCc1cc(C#N)ccc1F)c1cccc(C#N)c1 ZINC000190897429 225116830 /nfs/dbraw/zinc/11/68/30/225116830.db2.gz FTEVFZXVDSUJGQ-LBPRGKRZSA-N 0 0 296.370 4.563 20 30 CJEDRN C[C@@H](SCc1cc(C#N)ccc1F)c1cccc(C#N)c1 ZINC000190897446 533996090 /nfs/dbraw/zinc/99/60/90/533996090.db2.gz FTEVFZXVDSUJGQ-GFCCVEGCSA-N 0 0 296.370 4.563 20 30 CJEDRN N#CCCCSCc1coc(-c2cccc(Cl)c2)n1 ZINC000190903163 262186961 /nfs/dbraw/zinc/18/69/61/262186961.db2.gz QRXFJEDGPKLHAS-UHFFFAOYSA-N 0 0 292.791 4.532 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1nccs1 ZINC000190913339 329402895 /nfs/dbraw/zinc/40/28/95/329402895.db2.gz IMBUOACLZXBOJS-UHFFFAOYSA-N 0 0 272.417 4.607 20 30 CJEDRN C[C@H](SCCCC#N)c1ccc(F)c(Cl)c1 ZINC000190921196 329403229 /nfs/dbraw/zinc/40/32/29/329403229.db2.gz YZSMKISYYKAIOD-VIFPVBQESA-N 0 0 257.761 4.577 20 30 CJEDRN C[C@@H](SCCCC#N)c1ccc(F)c(Cl)c1 ZINC000190921210 329403316 /nfs/dbraw/zinc/40/33/16/329403316.db2.gz YZSMKISYYKAIOD-SECBINFHSA-N 0 0 257.761 4.577 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)NCC=C(C)C ZINC000190934255 333212409 /nfs/dbraw/zinc/21/24/09/333212409.db2.gz OXWAVJYMTLDTPX-UHFFFAOYSA-N 0 0 286.419 4.626 20 30 CJEDRN C[C@@H](SCCCC#N)c1ccc(C(F)(F)F)cc1 ZINC000190934524 329403269 /nfs/dbraw/zinc/40/32/69/329403269.db2.gz ZUYRNWKZUNHPDZ-SNVBAGLBSA-N 0 0 273.323 4.803 20 30 CJEDRN C[C@H](SCCCC#N)c1ccc(Br)cc1 ZINC000190945660 329403401 /nfs/dbraw/zinc/40/34/01/329403401.db2.gz UENDNZMBGRUMPE-JTQLQIEISA-N 0 0 284.222 4.547 20 30 CJEDRN C[C@@H](SCCCC#N)c1ccc(Br)cc1 ZINC000190945673 329403461 /nfs/dbraw/zinc/40/34/61/329403461.db2.gz UENDNZMBGRUMPE-SNVBAGLBSA-N 0 0 284.222 4.547 20 30 CJEDRN C[C@H](SCc1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 ZINC000190948861 333212652 /nfs/dbraw/zinc/21/26/52/333212652.db2.gz GUSIMQXUSHJXQS-LBPRGKRZSA-N 0 0 296.370 4.563 20 30 CJEDRN C[C@@H](SCc1ccc(C#N)c(F)c1)c1ccc(C#N)cc1 ZINC000190948878 333212674 /nfs/dbraw/zinc/21/26/74/333212674.db2.gz GUSIMQXUSHJXQS-GFCCVEGCSA-N 0 0 296.370 4.563 20 30 CJEDRN C[C@H](SCCCC#N)c1cccc(Br)c1 ZINC000190979031 329404024 /nfs/dbraw/zinc/40/40/24/329404024.db2.gz WDDVNBRRCREBKW-JTQLQIEISA-N 0 0 284.222 4.547 20 30 CJEDRN C[C@@H](SCCCC#N)c1cccc(Br)c1 ZINC000190979048 329404067 /nfs/dbraw/zinc/40/40/67/329404067.db2.gz WDDVNBRRCREBKW-SNVBAGLBSA-N 0 0 284.222 4.547 20 30 CJEDRN C[C@@H](CCSc1ccccc1)SCCCC#N ZINC000190982109 329404158 /nfs/dbraw/zinc/40/41/58/329404158.db2.gz QMHDGWAQGYNTJE-ZDUSSCGKSA-N 0 0 265.447 4.594 20 30 CJEDRN C[C@H](SCCCC#N)c1cccc(Cl)c1F ZINC000191022729 329405963 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290.819 4.536 20 30 CJEDRN N#CCC[C@H](NCc1sccc1Cl)c1ccccc1 ZINC000193175732 262218183 /nfs/dbraw/zinc/21/81/83/262218183.db2.gz NEAWMQCHIKQRSY-AWEZNQCLSA-N 0 0 290.819 4.536 20 30 CJEDRN N#C[C@H]1CCC[C@H](Nc2ccccc2OC2CCCC2)C1 ZINC000193180353 266631073 /nfs/dbraw/zinc/63/10/73/266631073.db2.gz KFKQUGCGYQLJTC-GJZGRUSLSA-N 0 0 284.403 4.502 20 30 CJEDRN Cc1cc(Cl)cc2nc(S[C@@H](C)CCC#N)oc21 ZINC000193406646 267325596 /nfs/dbraw/zinc/32/55/96/267325596.db2.gz POADJPSNJKXVNW-VIFPVBQESA-N 0 0 280.780 4.574 20 30 CJEDRN Cc1cc(Cl)cc2nc(S[C@H](C)CCC#N)oc21 ZINC000193406662 267325011 /nfs/dbraw/zinc/32/50/11/267325011.db2.gz POADJPSNJKXVNW-SECBINFHSA-N 0 0 280.780 4.574 20 30 CJEDRN Cc1ccccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000193906180 329064930 /nfs/dbraw/zinc/06/49/30/329064930.db2.gz GSGBEOWHXZIWCH-MRXNPFEDSA-N 0 0 294.398 4.851 20 30 CJEDRN Cc1ccccc1[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000193906193 329064835 /nfs/dbraw/zinc/06/48/35/329064835.db2.gz GSGBEOWHXZIWCH-INIZCTEOSA-N 0 0 294.398 4.851 20 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C=CCCCSCc1cc(F)cc2cccnc21 ZINC000344624510 527248155 /nfs/dbraw/zinc/24/81/55/527248155.db2.gz JIKMZRPOFATUGC-UHFFFAOYSA-N 0 0 261.365 4.573 20 30 CJEDRN N#Cc1ccc(SCc2cc(F)cc3cccnc32)cc1 ZINC000345292145 534799110 /nfs/dbraw/zinc/79/91/10/534799110.db2.gz YGDKHQKICYXQFD-UHFFFAOYSA-N 0 0 294.354 4.538 20 30 CJEDRN CC(C)c1cnc(N[C@@H](CCC#N)c2ccccc2)s1 ZINC000347465765 528225169 /nfs/dbraw/zinc/22/51/69/528225169.db2.gz QIXWIDBRSTUIHQ-AWEZNQCLSA-N 0 0 285.416 4.723 20 30 CJEDRN CC(C)c1cnc(N[C@H](CCC#N)c2ccccc2)s1 ZINC000347465775 528227013 /nfs/dbraw/zinc/22/70/13/528227013.db2.gz QIXWIDBRSTUIHQ-CQSZACIVSA-N 0 0 285.416 4.723 20 30 CJEDRN CC(C)(CCC#N)CNc1ccc2nc(C3CC3)sc2c1 ZINC000347781590 527001382 /nfs/dbraw/zinc/00/13/82/527001382.db2.gz ULFZGMPFVCLSJY-UHFFFAOYSA-N 0 0 299.443 4.916 20 30 CJEDRN N#CCCC[C@@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000352165920 228190696 /nfs/dbraw/zinc/19/06/96/228190696.db2.gz KLBQNZOWGZUEIA-GOSISDBHSA-N 0 0 298.430 4.508 20 30 CJEDRN N#CCCC[C@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000352165921 228190784 /nfs/dbraw/zinc/19/07/84/228190784.db2.gz KLBQNZOWGZUEIA-SFHVURJKSA-N 0 0 298.430 4.508 20 30 CJEDRN N#CCCC[C@@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000352169304 228191422 /nfs/dbraw/zinc/19/14/22/228191422.db2.gz YNFUWERXPVXXCR-GOSISDBHSA-N 0 0 298.430 4.508 20 30 CJEDRN N#CCCC[C@H](NC(=O)CC1CCCCC1)c1ccccc1 ZINC000352169306 228191484 /nfs/dbraw/zinc/19/14/84/228191484.db2.gz YNFUWERXPVXXCR-SFHVURJKSA-N 0 0 298.430 4.508 20 30 CJEDRN CC1(CC(=O)N[C@@H](CCCC#N)c2ccccc2)CCCC1 ZINC000352174460 527914027 /nfs/dbraw/zinc/91/40/27/527914027.db2.gz NJDXULSGQFERTO-KRWDZBQOSA-N 0 0 298.430 4.508 20 30 CJEDRN CC1(CC(=O)N[C@H](CCCC#N)c2ccccc2)CCCC1 ZINC000352174461 527916108 /nfs/dbraw/zinc/91/61/08/527916108.db2.gz NJDXULSGQFERTO-QGZVFWFLSA-N 0 0 298.430 4.508 20 30 CJEDRN N#CCCC[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000352215234 228200461 /nfs/dbraw/zinc/20/04/61/228200461.db2.gz BMELKODTOIANPQ-GOSISDBHSA-N 0 0 298.430 4.508 20 30 CJEDRN N#CCCC[C@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000352215235 228200381 /nfs/dbraw/zinc/20/03/81/228200381.db2.gz BMELKODTOIANPQ-SFHVURJKSA-N 0 0 298.430 4.508 20 30 CJEDRN C=CCCCCCN(C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000352285199 527127269 /nfs/dbraw/zinc/12/72/69/527127269.db2.gz QUEYUNPDFVYVFV-UHFFFAOYSA-N 0 0 290.451 4.504 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1nc(C)cs1 ZINC000352547020 527260776 /nfs/dbraw/zinc/26/07/76/527260776.db2.gz AUICNOGRUHIVMQ-UHFFFAOYSA-N 0 0 286.444 4.916 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1nc(C(C)C)no1 ZINC000352547724 527260927 /nfs/dbraw/zinc/26/09/27/527260927.db2.gz JKBOCRVQEBGUFW-UHFFFAOYSA-N 0 0 299.418 4.657 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1noc(C(C)C)n1 ZINC000352549134 527260503 /nfs/dbraw/zinc/26/05/03/527260503.db2.gz ZLGGWWHYRUHNQX-UHFFFAOYSA-N 0 0 299.418 4.657 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1cnc(C)s1 ZINC000352553695 527260405 /nfs/dbraw/zinc/26/04/05/527260405.db2.gz LLQCJISYJOYLAF-UHFFFAOYSA-N 0 0 286.444 4.916 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1c(C)noc1C ZINC000352562837 527261208 /nfs/dbraw/zinc/26/12/08/527261208.db2.gz NOWZDWNIOFAVOB-UHFFFAOYSA-N 0 0 284.403 4.755 20 30 CJEDRN CCN(CCC#N)Cc1c(Cl)cccc1SC(C)C ZINC000353386158 528376237 /nfs/dbraw/zinc/37/62/37/528376237.db2.gz VRORZEKUVLKKIU-UHFFFAOYSA-N 0 0 296.867 4.576 20 30 CJEDRN C[C@@H](CC#N)N(C)Cc1ccc(Sc2ccccc2)cc1 ZINC000353421962 533394857 /nfs/dbraw/zinc/39/48/57/533394857.db2.gz MBPCLKUEFBFDKD-HNNXBMFYSA-N 0 0 296.439 4.572 20 30 CJEDRN C[C@H](CC#N)N(C)Cc1ccc(Sc2ccccc2)cc1 ZINC000353421963 533603097 /nfs/dbraw/zinc/60/30/97/533603097.db2.gz MBPCLKUEFBFDKD-OAHLLOKOSA-N 0 0 296.439 4.572 20 30 CJEDRN C=CCC[C@H](Nc1cc(C2CC2)ccn1)c1ccco1 ZINC000353551830 527487762 /nfs/dbraw/zinc/48/77/62/527487762.db2.gz WKVIEMOXTQNGJS-HNNXBMFYSA-N 0 0 268.360 4.671 20 30 CJEDRN C=CCC[C@@H](Nc1cc(C2CC2)ccn1)c1ccco1 ZINC000353551831 263148029 /nfs/dbraw/zinc/14/80/29/263148029.db2.gz WKVIEMOXTQNGJS-OAHLLOKOSA-N 0 0 268.360 4.671 20 30 CJEDRN C=CCC[C@H](NC(=O)c1cc[nH]c1C(C)C)c1ccccc1 ZINC000354209208 328857490 /nfs/dbraw/zinc/85/74/90/328857490.db2.gz SFJHASLDMZZNQD-KRWDZBQOSA-N 0 0 296.414 4.575 20 30 CJEDRN C=CCC[C@@H](NC(=O)c1cc[nH]c1C(C)C)c1ccccc1 ZINC000354209209 328857492 /nfs/dbraw/zinc/85/74/92/328857492.db2.gz SFJHASLDMZZNQD-QGZVFWFLSA-N 0 0 296.414 4.575 20 30 CJEDRN C[C@@H](CCC#N)SCc1ccc(C(F)(F)F)cc1 ZINC000355927104 533514101 /nfs/dbraw/zinc/51/41/01/533514101.db2.gz ADDIHKWDWONDKR-JTQLQIEISA-N 0 0 273.323 4.631 20 30 CJEDRN C[C@H](CCC#N)SCc1ccc(C(F)(F)F)cc1 ZINC000355927117 533789339 /nfs/dbraw/zinc/78/93/39/533789339.db2.gz ADDIHKWDWONDKR-SNVBAGLBSA-N 0 0 273.323 4.631 20 30 CJEDRN C=CCC[C@H](NC(=O)CCCC(F)(F)F)c1ccccc1 ZINC000355944509 527474439 /nfs/dbraw/zinc/47/44/39/527474439.db2.gz OFIPUOHEDXSHMK-AWEZNQCLSA-N 0 0 299.336 4.543 20 30 CJEDRN C=CCC[C@@H](NC(=O)CCCC(F)(F)F)c1ccccc1 ZINC000355944522 527437358 /nfs/dbraw/zinc/43/73/58/527437358.db2.gz OFIPUOHEDXSHMK-CQSZACIVSA-N 0 0 299.336 4.543 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CCC1CC1 ZINC000356177975 266063868 /nfs/dbraw/zinc/06/38/68/266063868.db2.gz ZXESAIYSTKOUMU-UHFFFAOYSA-N 0 0 271.404 4.667 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)C1CC(F)(F)C1 ZINC000356226951 266077855 /nfs/dbraw/zinc/07/78/55/266077855.db2.gz YPCOVSLCDPTLOZ-UHFFFAOYSA-N 0 0 293.357 4.522 20 30 CJEDRN Cc1nc(CSc2cccc(Cl)c2C#N)sc1C ZINC000357057856 266239907 /nfs/dbraw/zinc/23/99/07/266239907.db2.gz PUSITKLUQPMZAR-UHFFFAOYSA-N 0 0 294.832 4.577 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NCc1scnc1C ZINC000357185984 266261524 /nfs/dbraw/zinc/26/15/24/266261524.db2.gz GTPNKMBMQBIXKP-UHFFFAOYSA-N 0 0 286.444 4.916 20 30 CJEDRN N#CCCCSCc1cc(Cl)ccc1Cl ZINC000359032487 266525515 /nfs/dbraw/zinc/52/55/15/266525515.db2.gz CXIYEJCSGIHSGB-UHFFFAOYSA-N 0 0 260.189 4.530 20 30 CJEDRN Cc1c(CNc2ccc(F)cc2C#N)oc2ccc(F)cc12 ZINC000360516974 266721855 /nfs/dbraw/zinc/72/18/55/266721855.db2.gz IQLGAHOUKWFZQO-UHFFFAOYSA-N 0 0 298.292 4.503 20 30 CJEDRN C=C[C@@H](C)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000362632189 267027239 /nfs/dbraw/zinc/02/72/39/267027239.db2.gz ZAIATEZVBMOKRG-CYBMUJFWSA-N 0 0 274.408 4.629 20 30 CJEDRN C=C[C@H](C)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000362632190 267027024 /nfs/dbraw/zinc/02/70/24/267027024.db2.gz ZAIATEZVBMOKRG-ZDUSSCGKSA-N 0 0 274.408 4.629 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000366542563 262692169 /nfs/dbraw/zinc/69/21/69/262692169.db2.gz XLNTUSXRIQHDSV-HNNXBMFYSA-N 0 0 294.398 4.598 20 30 CJEDRN C=CCCC(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000368789242 267205059 /nfs/dbraw/zinc/20/50/59/267205059.db2.gz CJAQXPIULQIDSK-UHFFFAOYSA-N 0 0 287.309 4.537 20 30 CJEDRN C=CCCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1Cl ZINC000370700216 267340057 /nfs/dbraw/zinc/34/00/57/267340057.db2.gz MRNUXCYRMQLZTQ-CYBMUJFWSA-N 0 0 298.213 4.623 20 30 CJEDRN C=CCCC(=O)N1CCC[C@H]1c1cccc(Cl)c1Cl ZINC000370700217 267340002 /nfs/dbraw/zinc/34/00/02/267340002.db2.gz MRNUXCYRMQLZTQ-ZDUSSCGKSA-N 0 0 298.213 4.623 20 30 CJEDRN C=C(C)CCSCc1nnc(-c2ccccc2Cl)o1 ZINC000375642935 329004856 /nfs/dbraw/zinc/00/48/56/329004856.db2.gz QEEDRTOKHXASJM-UHFFFAOYSA-N 0 0 294.807 4.589 20 30 CJEDRN CCCCCCCCC(=O)N1CCC[C@H]1c1nccs1 ZINC000377260703 268061362 /nfs/dbraw/zinc/06/13/62/268061362.db2.gz ZFLISEHVXZMMOP-AWEZNQCLSA-N 0 0 294.464 4.557 20 30 CJEDRN CCCCCCCCC(=O)N1CCC[C@@H]1c1nccs1 ZINC000377260709 268061528 /nfs/dbraw/zinc/06/15/28/268061528.db2.gz ZFLISEHVXZMMOP-CQSZACIVSA-N 0 0 294.464 4.557 20 30 CJEDRN Cc1csc(CNc2ccc(C(F)(F)F)cc2C#N)c1 ZINC000379263823 328799422 /nfs/dbraw/zinc/79/94/22/328799422.db2.gz IVWBPNIKQSFRQA-UHFFFAOYSA-N 0 0 296.317 4.559 20 30 CJEDRN Cc1csc(CNc2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000380627084 335677320 /nfs/dbraw/zinc/67/73/20/335677320.db2.gz ACRIDHMSFUZVCE-UHFFFAOYSA-N 0 0 296.317 4.559 20 30 CJEDRN Cc1csc(CNc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000380854939 336037108 /nfs/dbraw/zinc/03/71/08/336037108.db2.gz CSMCUTJYPJWNIZ-UHFFFAOYSA-N 0 0 296.317 4.559 20 30 CJEDRN CC(C)(C#N)CCOc1ccc(OCc2ccccc2)cc1 ZINC000380882232 336038491 /nfs/dbraw/zinc/03/84/91/336038491.db2.gz HENFWXBNQWTHNF-UHFFFAOYSA-N 0 0 295.382 4.584 20 30 CJEDRN Cc1cc(SCCCC(C)(C)C#N)nc2ccccc12 ZINC000383539131 336113015 /nfs/dbraw/zinc/11/30/15/336113015.db2.gz DAWUBPPCFSUUTD-UHFFFAOYSA-N 0 0 284.428 4.965 20 30 CJEDRN CC(C)c1ccc(NCc2nc(C#N)cs2)c(C(C)C)c1 ZINC000386091671 336166253 /nfs/dbraw/zinc/16/62/53/336166253.db2.gz FZVDFZYJNNWUTB-UHFFFAOYSA-N 0 0 299.443 4.874 20 30 CJEDRN N#Cc1cc(CNc2cccc3ccsc32)ccc1F ZINC000386161462 336167228 /nfs/dbraw/zinc/16/72/28/336167228.db2.gz LATREODSZHLZAJ-UHFFFAOYSA-N 0 0 282.343 4.524 20 30 CJEDRN C[C@@H](Nc1cccc2ccsc21)c1cccc(C#N)c1 ZINC000386235311 336168725 /nfs/dbraw/zinc/16/87/25/336168725.db2.gz XQMXJHZUDXARMZ-GFCCVEGCSA-N 0 0 278.380 4.946 20 30 CJEDRN C[C@H](Nc1cccc2ccsc21)c1cccc(C#N)c1 ZINC000386235323 336168535 /nfs/dbraw/zinc/16/85/35/336168535.db2.gz XQMXJHZUDXARMZ-LBPRGKRZSA-N 0 0 278.380 4.946 20 30 CJEDRN CC(C)(C#N)CCCNc1cccc2ccsc21 ZINC000386254654 336169218 /nfs/dbraw/zinc/16/92/18/336169218.db2.gz STBBWSLNJRWENU-UHFFFAOYSA-N 0 0 258.390 4.643 20 30 CJEDRN CC(C)(CCC#N)CNc1cccc2ccsc21 ZINC000386297908 336170299 /nfs/dbraw/zinc/17/02/99/336170299.db2.gz JPHMWQWSBKISNO-UHFFFAOYSA-N 0 0 258.390 4.643 20 30 CJEDRN N#Cc1cccc(CNc2cccc3ccsc32)c1F ZINC000386419722 336173022 /nfs/dbraw/zinc/17/30/22/336173022.db2.gz LHNRFJPMXUUCGD-UHFFFAOYSA-N 0 0 282.343 4.524 20 30 CJEDRN N#Cc1ccc(F)c(CNc2cccc3ccsc32)c1 ZINC000386431566 336173787 /nfs/dbraw/zinc/17/37/87/336173787.db2.gz NCBBEHHNRRVBEJ-UHFFFAOYSA-N 0 0 282.343 4.524 20 30 CJEDRN N#Cc1ccc(CNc2cccc3ccsc32)c(F)c1 ZINC000386457342 336175271 /nfs/dbraw/zinc/17/52/71/336175271.db2.gz RRNXUBKBLWISNL-UHFFFAOYSA-N 0 0 282.343 4.524 20 30 CJEDRN CC(C)COc1ccccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000386937287 336182788 /nfs/dbraw/zinc/18/27/88/336182788.db2.gz QAEPVOUQVLVXKS-HNNXBMFYSA-N 0 0 294.398 4.766 20 30 CJEDRN CC(C)COc1ccccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000386937288 336182833 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C=CCC[C@@H](NC(=O)N(C)[C@@H](C)CCC)c1ccccc1 ZINC000435762331 330662329 /nfs/dbraw/zinc/66/23/29/330662329.db2.gz IEANZWATAAYQDN-DOTOQJQBSA-N 0 0 288.435 4.524 20 30 CJEDRN C=CCC[C@@H](NC(=O)N(C)[C@H](C)CCC)c1ccccc1 ZINC000435762334 330662334 /nfs/dbraw/zinc/66/23/34/330662334.db2.gz IEANZWATAAYQDN-NVXWUHKLSA-N 0 0 288.435 4.524 20 30 CJEDRN Cc1cccc(OCCSCCCCC(C)(C)C#N)c1 ZINC000435880062 330664289 /nfs/dbraw/zinc/66/42/89/330664289.db2.gz HJCAHPRVAQHFMM-UHFFFAOYSA-N 0 0 291.460 4.827 20 30 CJEDRN CC(C)(C#N)CCCCSCCCOc1ccccc1 ZINC000435880297 330664355 /nfs/dbraw/zinc/66/43/55/330664355.db2.gz IQJSSHNECOAVKV-UHFFFAOYSA-N 0 0 291.460 4.909 20 30 CJEDRN COc1ccc(CSCCCCC(C)(C)C#N)cc1F ZINC000435880833 330664348 /nfs/dbraw/zinc/66/43/48/330664348.db2.gz LYBVTFLVBJPPSE-UHFFFAOYSA-N 0 0 295.423 4.788 20 30 CJEDRN COc1cccc(CSCCCCC(C)(C)C#N)c1 ZINC000435883074 330664317 /nfs/dbraw/zinc/66/43/17/330664317.db2.gz WUQRHJYQTXKUQK-UHFFFAOYSA-N 0 0 277.433 4.648 20 30 CJEDRN CC(C)(C#N)CCCCSCCc1ccc(F)c(F)c1 ZINC000435883864 330664446 /nfs/dbraw/zinc/66/44/46/330664446.db2.gz CBIAELRUTNGRJW-UHFFFAOYSA-N 0 0 297.414 4.961 20 30 CJEDRN CC(C)(C#N)CCCCSCc1cccc(F)c1F ZINC000435884083 330664490 /nfs/dbraw/zinc/66/44/90/330664490.db2.gz DQCFNIWRFNYLGA-UHFFFAOYSA-N 0 0 283.387 4.918 20 30 CJEDRN CC(C)(C#N)CCCCSCc1cccc(F)c1 ZINC000435884567 330664504 /nfs/dbraw/zinc/66/45/04/330664504.db2.gz ULJTYBSHLQLMTF-UHFFFAOYSA-N 0 0 265.397 4.779 20 30 CJEDRN COCc1cccc(CSCCCCC(C)(C)C#N)c1 ZINC000435885498 330664494 /nfs/dbraw/zinc/66/44/94/330664494.db2.gz KVPMDFCJPNOQHO-UHFFFAOYSA-N 0 0 291.460 4.786 20 30 CJEDRN N#Cc1ccc(NCc2nc(C3CCCCC3)cs2)cc1 ZINC000435887871 330664554 /nfs/dbraw/zinc/66/45/54/330664554.db2.gz JPCICJCQAGIOJL-UHFFFAOYSA-N 0 0 297.427 4.675 20 30 CJEDRN CC(C)(C#N)CCCCSCc1ccc(F)cc1C#N ZINC000435888748 330664602 /nfs/dbraw/zinc/66/46/02/330664602.db2.gz JUKAJXFSIMEEBN-UHFFFAOYSA-N 0 0 290.407 4.651 20 30 CJEDRN C[C@H](CSCCCCC(C)(C)C#N)C(F)(F)F ZINC000435888930 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CC(C)C[C@@H](Nc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000461452456 331313518 /nfs/dbraw/zinc/31/35/18/331313518.db2.gz JCSMBHBCUNGTNL-MRXNPFEDSA-N 0 0 299.805 4.806 20 30 CJEDRN N#Cc1ccc(CNc2cccc(C3CCC3)c2)c(F)c1 ZINC000461720158 331314065 /nfs/dbraw/zinc/31/40/65/331314065.db2.gz BKMJAVZQEQJYKS-UHFFFAOYSA-N 0 0 280.346 4.577 20 30 CJEDRN N#Cc1cccc(CNc2cccc(C3CCC3)c2)c1F ZINC000461721113 331314106 /nfs/dbraw/zinc/31/41/06/331314106.db2.gz BKCZRNREZQHEKQ-UHFFFAOYSA-N 0 0 280.346 4.577 20 30 CJEDRN N#Cc1ccc(CNc2cccc(C3CCC3)c2)cc1F ZINC000461723555 331314000 /nfs/dbraw/zinc/31/40/00/331314000.db2.gz FXMGFRSKLLYVBB-UHFFFAOYSA-N 0 0 280.346 4.577 20 30 CJEDRN CC(C)(C#N)CCCNc1cccc(C2CCC2)c1 ZINC000461728904 331314127 /nfs/dbraw/zinc/31/41/27/331314127.db2.gz QNYUVUDPZCAYAL-UHFFFAOYSA-N 0 0 256.393 4.696 20 30 CJEDRN N#Cc1cc(CNc2cccc(C3CCC3)c2)ccc1F ZINC000461733472 331314311 /nfs/dbraw/zinc/31/43/11/331314311.db2.gz AQVXLYMEXPEWDQ-UHFFFAOYSA-N 0 0 280.346 4.577 20 30 CJEDRN N#Cc1ccc(F)c(CNc2cccc(C3CCC3)c2)c1 ZINC000461745685 331314360 /nfs/dbraw/zinc/31/43/60/331314360.db2.gz LKZACHVLJNSNNH-UHFFFAOYSA-N 0 0 280.346 4.577 20 30 CJEDRN N#CCc1ccc(CNc2cccc(C3CCC3)c2)cc1 ZINC000461752026 331314485 /nfs/dbraw/zinc/31/44/85/331314485.db2.gz TWDDTWGMKGNSOJ-UHFFFAOYSA-N 0 0 276.383 4.632 20 30 CJEDRN C=CCCCNc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000462171032 331318068 /nfs/dbraw/zinc/31/80/68/331318068.db2.gz QTJWTWDLYOJEKS-UHFFFAOYSA-N 0 0 288.778 4.905 20 30 CJEDRN C=CCCCNc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000462180964 331318056 /nfs/dbraw/zinc/31/80/56/331318056.db2.gz WKJOIPUPVVQIFZ-UHFFFAOYSA-N 0 0 282.387 4.869 20 30 CJEDRN C=CCCC(=O)Nc1c(C)cc(Cl)c2ccccc21 ZINC000462200681 331318316 /nfs/dbraw/zinc/31/83/16/331318316.db2.gz QYSQIQCHCGNOPO-UHFFFAOYSA-N 0 0 273.763 4.706 20 30 CJEDRN C=CCCC(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000462212246 331318457 /nfs/dbraw/zinc/31/84/57/331318457.db2.gz QTYHSRBLBLBWDX-GFCCVEGCSA-N 0 0 287.790 4.637 20 30 CJEDRN C=CCCC(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000462212247 331318522 /nfs/dbraw/zinc/31/85/22/331318522.db2.gz QTYHSRBLBLBWDX-LBPRGKRZSA-N 0 0 287.790 4.637 20 30 CJEDRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CCCC#N)cc1 ZINC000462263876 331318794 /nfs/dbraw/zinc/31/87/94/331318794.db2.gz QYHDDPQWSGUPIS-GOSISDBHSA-N 0 0 298.430 4.557 20 30 CJEDRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCCC#N)cc1 ZINC000462263877 331318860 /nfs/dbraw/zinc/31/88/60/331318860.db2.gz QYHDDPQWSGUPIS-SFHVURJKSA-N 0 0 298.430 4.557 20 30 CJEDRN CC#CCCSCc1csc(-c2ccsc2)n1 ZINC000462368987 331320688 /nfs/dbraw/zinc/32/06/88/331320688.db2.gz KMQKXFJFMYOSLP-UHFFFAOYSA-N 0 0 279.455 4.518 20 30 CJEDRN N#Cc1cccc(Cl)c1NCc1ccc(Cl)s1 ZINC000462370621 331320796 /nfs/dbraw/zinc/32/07/96/331320796.db2.gz OBTDNQKFZMIXLL-UHFFFAOYSA-N 0 0 283.183 4.539 20 30 CJEDRN CC#CCCSCc1csc(-c2cccs2)n1 ZINC000462379405 331321031 /nfs/dbraw/zinc/32/10/31/331321031.db2.gz JYOGRJJYBUJEER-UHFFFAOYSA-N 0 0 279.455 4.518 20 30 CJEDRN Cc1ccc2c(c1)CC[C@@H]2Nc1c(Cl)cccc1C#N ZINC000462383216 261206890 /nfs/dbraw/zinc/20/68/90/261206890.db2.gz HYZSAGWFCDEMEZ-INIZCTEOSA-N 0 0 282.774 4.620 20 30 CJEDRN Cc1ccc2c(c1)CC[C@H]2Nc1c(Cl)cccc1C#N ZINC000462383217 261206917 /nfs/dbraw/zinc/20/69/17/261206917.db2.gz HYZSAGWFCDEMEZ-MRXNPFEDSA-N 0 0 282.774 4.620 20 30 CJEDRN N#Cc1cccc(Cl)c1NCc1c(F)cccc1Cl ZINC000462390421 331321304 /nfs/dbraw/zinc/32/13/04/331321304.db2.gz PZABZHVBWNSWAB-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)CC(C)C ZINC000462393259 331321263 /nfs/dbraw/zinc/32/12/63/331321263.db2.gz XBEGXIUHLAHHTP-GFCCVEGCSA-N 0 0 299.867 4.598 20 30 CJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)CC(C)C ZINC000462393260 331321309 /nfs/dbraw/zinc/32/13/09/331321309.db2.gz XBEGXIUHLAHHTP-LBPRGKRZSA-N 0 0 299.867 4.598 20 30 CJEDRN C=CCCC[C@@H](C)Sc1ccc(C(C)=O)cc1OC ZINC000462406007 331321501 /nfs/dbraw/zinc/32/15/01/331321501.db2.gz GTIYJQXWDFPTEJ-GFCCVEGCSA-N 0 0 278.417 4.735 20 30 CJEDRN C=CCCC[C@H](C)Sc1ccc(C(C)=O)cc1OC ZINC000462406008 331321502 /nfs/dbraw/zinc/32/15/02/331321502.db2.gz GTIYJQXWDFPTEJ-LBPRGKRZSA-N 0 0 278.417 4.735 20 30 CJEDRN N#CCCCC(=O)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000462548905 331323359 /nfs/dbraw/zinc/32/33/59/331323359.db2.gz VHOLHXAIMQWOFV-UHFFFAOYSA-N 0 0 298.773 4.639 20 30 CJEDRN C=CCCC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000462586415 331323633 /nfs/dbraw/zinc/32/36/33/331323633.db2.gz AFTUVAVKUBYZET-KRWDZBQOSA-N 0 0 293.410 4.743 20 30 CJEDRN CC(C)C[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000462632954 331324378 /nfs/dbraw/zinc/32/43/78/331324378.db2.gz RKEGSNJTUYUNBM-LLVKDONJSA-N 0 0 292.448 4.538 20 30 CJEDRN CC(C)C[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000462632955 331324372 /nfs/dbraw/zinc/32/43/72/331324372.db2.gz RKEGSNJTUYUNBM-NSHDSACASA-N 0 0 292.448 4.538 20 30 CJEDRN C=CCCC(=O)N(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000462641155 331324592 /nfs/dbraw/zinc/32/45/92/331324592.db2.gz AFTUVAVKUBYZET-QGZVFWFLSA-N 0 0 293.410 4.743 20 30 CJEDRN N#Cc1cccc(Cl)c1N1CCC(c2ccccc2)CC1 ZINC000462778980 331328577 /nfs/dbraw/zinc/32/85/77/331328577.db2.gz REWCXPQJULPBMV-UHFFFAOYSA-N 0 0 296.801 4.596 20 30 CJEDRN C[C@@H](Nc1c(Cl)cccc1C#N)c1c(F)cccc1F ZINC000462780907 331328728 /nfs/dbraw/zinc/32/87/28/331328728.db2.gz RHDLJZZNISFEEV-SECBINFHSA-N 0 0 292.716 4.663 20 30 CJEDRN C[C@H](Nc1c(Cl)cccc1C#N)c1c(F)cccc1F ZINC000462780913 331328681 /nfs/dbraw/zinc/32/86/81/331328681.db2.gz RHDLJZZNISFEEV-VIFPVBQESA-N 0 0 292.716 4.663 20 30 CJEDRN CC(C)Oc1cccc([C@@H](C)Nc2ccc(F)cc2C#N)c1 ZINC000462784905 331328801 /nfs/dbraw/zinc/32/88/01/331328801.db2.gz IMVWBDWAFRCVLJ-CYBMUJFWSA-N 0 0 298.361 4.658 20 30 CJEDRN CC(C)Oc1cccc([C@H](C)Nc2ccc(F)cc2C#N)c1 ZINC000462784906 331328855 /nfs/dbraw/zinc/32/88/55/331328855.db2.gz IMVWBDWAFRCVLJ-ZDUSSCGKSA-N 0 0 298.361 4.658 20 30 CJEDRN N#Cc1cc(F)ccc1NCc1ccc(-c2ccccc2)o1 ZINC000462790642 331329179 /nfs/dbraw/zinc/32/91/79/331329179.db2.gz OZGCNDKVUBQNST-UHFFFAOYSA-N 0 0 292.313 4.569 20 30 CJEDRN CC(C)(C)C[C@@H]1CCCN1c1cc(C#N)c2ccccc2n1 ZINC000462792196 331329400 /nfs/dbraw/zinc/32/94/00/331329400.db2.gz DLWMUMNHGRDHNC-HNNXBMFYSA-N 0 0 293.414 4.511 20 30 CJEDRN CC(C)(C)C[C@H]1CCCN1c1cc(C#N)c2ccccc2n1 ZINC000462792198 331329340 /nfs/dbraw/zinc/32/93/40/331329340.db2.gz DLWMUMNHGRDHNC-OAHLLOKOSA-N 0 0 293.414 4.511 20 30 CJEDRN N#Cc1cccc(Cl)c1NCc1ccc(F)c(Cl)c1 ZINC000462795044 331329489 /nfs/dbraw/zinc/32/94/89/331329489.db2.gz LOYARUMLBURIFA-UHFFFAOYSA-N 0 0 295.144 4.616 20 30 CJEDRN C=CCCC(=O)N1CCC(Cc2ccc(C(C)C)cc2)CC1 ZINC000462824067 331331375 /nfs/dbraw/zinc/33/13/75/331331375.db2.gz XXGWOPJZHBQVRX-UHFFFAOYSA-N 0 0 299.458 4.557 20 30 CJEDRN C[C@@H](Nc1c(Cl)cccc1C#N)c1ccc(F)c(F)c1 ZINC000462837086 331332154 /nfs/dbraw/zinc/33/21/54/331332154.db2.gz YMRMBRCDVOOPBQ-SECBINFHSA-N 0 0 292.716 4.663 20 30 CJEDRN C[C@H](Nc1c(Cl)cccc1C#N)c1ccc(F)c(F)c1 ZINC000462837089 331332220 /nfs/dbraw/zinc/33/22/20/331332220.db2.gz YMRMBRCDVOOPBQ-VIFPVBQESA-N 0 0 292.716 4.663 20 30 CJEDRN CC[C@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000462849024 331332712 /nfs/dbraw/zinc/33/27/12/331332712.db2.gz ACASISLUILSMAC-HNNXBMFYSA-N 0 0 290.288 4.539 20 30 CJEDRN CC[C@@H](Nc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000462849025 331332644 /nfs/dbraw/zinc/33/26/44/331332644.db2.gz ACASISLUILSMAC-OAHLLOKOSA-N 0 0 290.288 4.539 20 30 CJEDRN CC[C@H](Nc1ccc(F)cc1C#N)c1cc(F)ccc1F ZINC000462851547 331332708 /nfs/dbraw/zinc/33/27/08/331332708.db2.gz IXFXKROJUKSHLE-HNNXBMFYSA-N 0 0 290.288 4.539 20 30 CJEDRN Cc1cccc([C@H]2CCCN2c2cccc(F)c2C#N)c1C ZINC000462865670 331333220 /nfs/dbraw/zinc/33/32/20/331333220.db2.gz CXGZSEVHXJBWJE-GOSISDBHSA-N 0 0 294.373 4.656 20 30 CJEDRN Cc1cccc([C@@H]2CCCN2c2cccc(F)c2C#N)c1C ZINC000462865671 331333150 /nfs/dbraw/zinc/33/31/50/331333150.db2.gz CXGZSEVHXJBWJE-SFHVURJKSA-N 0 0 294.373 4.656 20 30 CJEDRN CC(C)(CCC#N)CNc1cccc(C2CCC2)c1 ZINC000462866676 331333197 /nfs/dbraw/zinc/33/31/97/331333197.db2.gz AWNWTCFDBUXCJB-UHFFFAOYSA-N 0 0 256.393 4.696 20 30 CJEDRN N#Cc1c(F)cccc1Nc1ccc(CC(F)(F)F)cc1 ZINC000462869083 331333252 /nfs/dbraw/zinc/33/32/52/331333252.db2.gz ULPOTXHNPKQZOG-UHFFFAOYSA-N 0 0 294.251 4.546 20 30 CJEDRN CC[C@H](C)[C@@H](Nc1ncccc1C#N)c1ccc(Cl)cc1 ZINC000462888082 331334100 /nfs/dbraw/zinc/33/41/00/331334100.db2.gz DEJJACLIKQPWOZ-BLLLJJGKSA-N 0 0 299.805 4.806 20 30 CJEDRN CC[C@H](C)[C@H](Nc1ncccc1C#N)c1ccc(Cl)cc1 ZINC000462888087 331334132 /nfs/dbraw/zinc/33/41/32/331334132.db2.gz DEJJACLIKQPWOZ-LRDDRELGSA-N 0 0 299.805 4.806 20 30 CJEDRN CC[C@@H](C)[C@@H](Nc1ncccc1C#N)c1ccc(Cl)cc1 ZINC000462888088 331334025 /nfs/dbraw/zinc/33/40/25/331334025.db2.gz DEJJACLIKQPWOZ-MLGOLLRUSA-N 0 0 299.805 4.806 20 30 CJEDRN CC[C@@H](C)[C@H](Nc1ncccc1C#N)c1ccc(Cl)cc1 ZINC000462888090 331334087 /nfs/dbraw/zinc/33/40/87/331334087.db2.gz DEJJACLIKQPWOZ-WBMJQRKESA-N 0 0 299.805 4.806 20 30 CJEDRN C[C@@H](CNc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000462901462 331334401 /nfs/dbraw/zinc/33/44/01/331334401.db2.gz WCMWDQFNGFORSX-LLVKDONJSA-N 0 0 290.819 4.564 20 30 CJEDRN C[C@H](CNc1ccc(C#N)c(Cl)c1)Cc1cccs1 ZINC000462901463 331334392 /nfs/dbraw/zinc/33/43/92/331334392.db2.gz WCMWDQFNGFORSX-NSHDSACASA-N 0 0 290.819 4.564 20 30 CJEDRN N#Cc1c(F)cccc1Nc1cccc(CC(F)(F)F)c1 ZINC000462932168 331335357 /nfs/dbraw/zinc/33/53/57/331335357.db2.gz JYYJSFQLGIKHKJ-UHFFFAOYSA-N 0 0 294.251 4.546 20 30 CJEDRN Cc1ccccc1[C@@H](C)Nc1c(Cl)cccc1C#N ZINC000462932754 331335408 /nfs/dbraw/zinc/33/54/08/331335408.db2.gz VLXGISORBHRGCN-GFCCVEGCSA-N 0 0 270.763 4.693 20 30 CJEDRN Cc1ccccc1[C@H](C)Nc1c(Cl)cccc1C#N ZINC000462932755 331335365 /nfs/dbraw/zinc/33/53/65/331335365.db2.gz VLXGISORBHRGCN-LBPRGKRZSA-N 0 0 270.763 4.693 20 30 CJEDRN C=CCOc1ccc(Oc2nc3ccccc3s2)cc1 ZINC000462937263 331335412 /nfs/dbraw/zinc/33/54/12/331335412.db2.gz AGGRLSZYMNNNBV-UHFFFAOYSA-N 0 0 283.352 4.653 20 30 CJEDRN N#Cc1ccc2c(c1)[C@@H](Nc1cccc(C3CCC3)c1)CC2 ZINC000462953153 331335784 /nfs/dbraw/zinc/33/57/84/331335784.db2.gz WRFYWYVPOOGKCK-FQEVSTJZSA-N 0 0 288.394 4.925 20 30 CJEDRN 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ZINC000467832975 331424391 /nfs/dbraw/zinc/42/43/91/331424391.db2.gz FZRFFTFAGJTQCV-UHFFFAOYSA-N 0 0 298.411 4.517 20 30 CJEDRN C=CCC(CC=C)C(=O)N(Cc1ccco1)c1ccccc1 ZINC000467840304 331424570 /nfs/dbraw/zinc/42/45/70/331424570.db2.gz UGLIXBGRTSTDCP-UHFFFAOYSA-N 0 0 295.382 4.581 20 30 CJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@](C)(C=C)CC ZINC000467847958 331424655 /nfs/dbraw/zinc/42/46/55/331424655.db2.gz BKWKLJYTKBNGJR-OAHLLOKOSA-N 0 0 297.851 4.518 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(Cl)cc1Cl ZINC000467857853 331424749 /nfs/dbraw/zinc/42/47/49/331424749.db2.gz CMZMUVKNGDFWEC-ZDUSSCGKSA-N 0 0 272.175 4.534 20 30 CJEDRN CC(C)c1ccc(C(=O)Nc2ccccc2C#N)cc1Cl ZINC000467860109 331424748 /nfs/dbraw/zinc/42/47/48/331424748.db2.gz BERBZUIHRORHFJ-UHFFFAOYSA-N 0 0 298.773 4.587 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(Cl)ccc1Cl ZINC000467869391 331424862 /nfs/dbraw/zinc/42/48/62/331424862.db2.gz WTWCAWRBTUTUGS-ZDUSSCGKSA-N 0 0 272.175 4.534 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)cc1Cl ZINC000467885254 331425185 /nfs/dbraw/zinc/42/51/85/331425185.db2.gz IJZULBRZCHJROX-INIZCTEOSA-N 0 0 295.810 4.668 20 30 CJEDRN C=CC[C@H](C(=O)Nc1ccc2ccoc2c1)c1ccccc1 ZINC000467906162 331425570 /nfs/dbraw/zinc/42/55/70/331425570.db2.gz NUTDCRGJPQJPPM-KRWDZBQOSA-N 0 0 291.350 4.731 20 30 CJEDRN C=C[C@](C)(CC)C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000467985668 331426315 /nfs/dbraw/zinc/42/63/15/331426315.db2.gz RYZUOOBWDVRMJX-HXUWFJFHSA-N 0 0 297.442 4.521 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000467992005 331426369 /nfs/dbraw/zinc/42/63/69/331426369.db2.gz CGRUFWDNZSQVEZ-HNNXBMFYSA-N 0 0 299.336 4.722 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cc2ccccc2s1 ZINC000468018829 331426721 /nfs/dbraw/zinc/42/67/21/331426721.db2.gz BWXBDOHFNFAHJI-PXAZEXFGSA-N 0 0 287.428 4.681 20 30 CJEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC000468028216 331427020 /nfs/dbraw/zinc/42/70/20/331427020.db2.gz AGXOLIDGGLUUIM-SUMWQHHRSA-N 0 0 291.460 4.578 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000468030092 331427047 /nfs/dbraw/zinc/42/70/47/331427047.db2.gz NPLMMINUQGGPTD-AWEZNQCLSA-N 0 0 285.309 4.555 20 30 CJEDRN C=C[C@](C)(CC)C(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000468030093 331427044 /nfs/dbraw/zinc/42/70/44/331427044.db2.gz NPLMMINUQGGPTD-CQSZACIVSA-N 0 0 285.309 4.555 20 30 CJEDRN C=CCC[C@@H](C(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000468259506 331431147 /nfs/dbraw/zinc/43/11/47/331431147.db2.gz DDNRLCRFZAATLN-GOSISDBHSA-N 0 0 285.431 4.528 20 30 CJEDRN C=CCCC(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000468276415 331431704 /nfs/dbraw/zinc/43/17/04/331431704.db2.gz COPAALSFMMVEJG-UHFFFAOYSA-N 0 0 285.774 4.912 20 30 CJEDRN C=CCCCNC(=O)c1oc2c(ccc3ccccc23)c1C ZINC000468393686 331433807 /nfs/dbraw/zinc/43/38/07/331433807.db2.gz VPRBLVLZJXKVHP-UHFFFAOYSA-N 0 0 293.366 4.590 20 30 CJEDRN N#CCc1ccc(N[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000468474167 331435372 /nfs/dbraw/zinc/43/53/72/331435372.db2.gz DXQBKLDSESTXOC-MOPGFXCFSA-N 0 0 276.383 4.501 20 30 CJEDRN N#CCc1ccc(N[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000468474168 331435335 /nfs/dbraw/zinc/43/53/35/331435335.db2.gz DXQBKLDSESTXOC-OALUTQOASA-N 0 0 276.383 4.501 20 30 CJEDRN N#CCc1ccc(N[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000468476450 331435454 /nfs/dbraw/zinc/43/54/54/331435454.db2.gz VNYOKWHRPKHLMH-AZUAARDMSA-N 0 0 290.410 4.576 20 30 CJEDRN N#CCc1ccc(N[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000468476451 331435484 /nfs/dbraw/zinc/43/54/84/331435484.db2.gz VNYOKWHRPKHLMH-ICSRJNTNSA-N 0 0 290.410 4.576 20 30 CJEDRN N#CCc1ccc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000468476453 331435504 /nfs/dbraw/zinc/43/55/04/331435504.db2.gz VNYOKWHRPKHLMH-UYAOXDASSA-N 0 0 290.410 4.576 20 30 CJEDRN C[C@@H](c1ccccc1)N(CCCC#N)c1ccccc1 ZINC000468505952 331436071 /nfs/dbraw/zinc/43/60/71/331436071.db2.gz QREBRRIOLZQOEB-INIZCTEOSA-N 0 0 264.372 4.558 20 30 CJEDRN C[C@@H](c1ccccc1)N(CCCCC#N)c1ccccc1 ZINC000468506637 331436205 /nfs/dbraw/zinc/43/62/05/331436205.db2.gz QFAKTFNWKNFONI-KRWDZBQOSA-N 0 0 278.399 4.948 20 30 CJEDRN C[C@@H](Sc1cccc(C#N)c1)c1cccc(F)c1 ZINC000468628037 331437771 /nfs/dbraw/zinc/43/77/71/331437771.db2.gz CUSZEEKCXXROLG-LLVKDONJSA-N 0 0 257.333 4.551 20 30 CJEDRN COC(C)(C)CCSCc1ccccc1C(C)(C)C#N ZINC000468636691 331437986 /nfs/dbraw/zinc/43/79/86/331437986.db2.gz DACBCZSKHRRWEI-UHFFFAOYSA-N 0 0 291.460 4.536 20 30 CJEDRN CCCCc1nc(CSc2cccc(C#N)c2)cs1 ZINC000468637691 331438083 /nfs/dbraw/zinc/43/80/83/331438083.db2.gz JXLXTBPVBMSVRN-UHFFFAOYSA-N 0 0 288.441 4.650 20 30 CJEDRN C[C@H](Sc1cccc(C#N)c1)c1c(F)cccc1F ZINC000468640407 331438038 /nfs/dbraw/zinc/43/80/38/331438038.db2.gz IFLFIMRGNPENCM-JTQLQIEISA-N 0 0 275.323 4.690 20 30 CJEDRN C[C@@H](Sc1cccc(C#N)c1)c1c(F)cccc1F ZINC000468640408 331438085 /nfs/dbraw/zinc/43/80/85/331438085.db2.gz IFLFIMRGNPENCM-SNVBAGLBSA-N 0 0 275.323 4.690 20 30 CJEDRN Cc1cc(CSc2cccc(C#N)c2)c(C)s1 ZINC000468641780 331438135 /nfs/dbraw/zinc/43/81/35/331438135.db2.gz GCLQPRDEYPHREF-UHFFFAOYSA-N 0 0 259.399 4.529 20 30 CJEDRN C[C@@H](Sc1cccc(C#N)c1)c1ccccc1F ZINC000468643416 331438134 /nfs/dbraw/zinc/43/81/34/331438134.db2.gz YGYXHSVIOGGTGH-LLVKDONJSA-N 0 0 257.333 4.551 20 30 CJEDRN C[C@H](Sc1cccc(C#N)c1)c1ccccc1F ZINC000468643417 331438157 /nfs/dbraw/zinc/43/81/57/331438157.db2.gz YGYXHSVIOGGTGH-NSHDSACASA-N 0 0 257.333 4.551 20 30 CJEDRN C[C@H](Sc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000468644920 331438140 /nfs/dbraw/zinc/43/81/40/331438140.db2.gz ILQNJHARZNTDFW-JTQLQIEISA-N 0 0 275.323 4.690 20 30 CJEDRN C[C@@H](Sc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000468644921 331438161 /nfs/dbraw/zinc/43/81/61/331438161.db2.gz ILQNJHARZNTDFW-SNVBAGLBSA-N 0 0 275.323 4.690 20 30 CJEDRN CC(C)[C@@H](Sc1cccc(C#N)c1)C(=O)c1ccccc1 ZINC000468647894 331438279 /nfs/dbraw/zinc/43/82/79/331438279.db2.gz MDZNECMIWCENKS-GOSISDBHSA-N 0 0 295.407 4.558 20 30 CJEDRN CC(C)[C@H](Sc1cccc(C#N)c1)C(=O)c1ccccc1 ZINC000468647895 331438252 /nfs/dbraw/zinc/43/82/52/331438252.db2.gz MDZNECMIWCENKS-SFHVURJKSA-N 0 0 295.407 4.558 20 30 CJEDRN N#Cc1cc(CSc2cccc3cccnc32)ccc1F ZINC000468651906 331438322 /nfs/dbraw/zinc/43/83/22/331438322.db2.gz DWBVJIQXDJTMBB-UHFFFAOYSA-N 0 0 294.354 4.538 20 30 CJEDRN C[C@H](Sc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000468655027 331438332 /nfs/dbraw/zinc/43/83/32/331438332.db2.gz FRQLTCVDSWUEOG-NSHDSACASA-N 0 0 257.333 4.551 20 30 CJEDRN CC(C)(C)c1nc(CSc2cccc(C#N)c2)cs1 ZINC000468655454 331438321 /nfs/dbraw/zinc/43/83/21/331438321.db2.gz LDIZRYHYHNNQIY-UHFFFAOYSA-N 0 0 288.441 4.605 20 30 CJEDRN C=CCC(CC=C)C(=O)N(c1ccccc1C)C(C)C ZINC000468713088 331439039 /nfs/dbraw/zinc/43/90/39/331439039.db2.gz GJPAEZHONKRHSS-UHFFFAOYSA-N 0 0 271.404 4.505 20 30 CJEDRN C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000468728837 527026787 /nfs/dbraw/zinc/02/67/87/527026787.db2.gz KIBIRLLUPAYYCL-GJYPPUQNSA-N 0 0 297.442 4.548 20 30 CJEDRN C=CCC(CC=C)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000468728838 527026687 /nfs/dbraw/zinc/02/66/87/527026687.db2.gz KIBIRLLUPAYYCL-GPMSIDNRSA-N 0 0 297.442 4.548 20 30 CJEDRN C=CCC(CC=C)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000468728839 527026328 /nfs/dbraw/zinc/02/63/28/527026328.db2.gz KIBIRLLUPAYYCL-JTDSTZFVSA-N 0 0 297.442 4.548 20 30 CJEDRN C=CCC(CC=C)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000468728840 527025831 /nfs/dbraw/zinc/02/58/31/527025831.db2.gz KIBIRLLUPAYYCL-MDZRGWNJSA-N 0 0 297.442 4.548 20 30 CJEDRN C[C@@H](SCc1cc(F)ccc1C#N)c1ccc(C#N)cc1 ZINC000469015270 331444118 /nfs/dbraw/zinc/44/41/18/331444118.db2.gz NUOUVSWAJRJXPA-GFCCVEGCSA-N 0 0 296.370 4.563 20 30 CJEDRN C[C@H](SCc1cc(F)ccc1C#N)c1ccc(C#N)cc1 ZINC000469015485 331444179 /nfs/dbraw/zinc/44/41/79/331444179.db2.gz NUOUVSWAJRJXPA-LBPRGKRZSA-N 0 0 296.370 4.563 20 30 CJEDRN N#Cc1ccc(F)cc1CSc1cccc2cccnc21 ZINC000469067075 331445132 /nfs/dbraw/zinc/44/51/32/331445132.db2.gz ZMFQUPSBCFOCKC-UHFFFAOYSA-N 0 0 294.354 4.538 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N(C)[C@H](c1ccc(F)cc1)C(C)C ZINC000469121450 331446080 /nfs/dbraw/zinc/44/60/80/331446080.db2.gz TUUXEPJNYCJQFU-PBHICJAKSA-N 0 0 291.410 4.584 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000469121582 331446042 /nfs/dbraw/zinc/44/60/42/331446042.db2.gz TUUXEPJNYCJQFU-RHSMWYFYSA-N 0 0 291.410 4.584 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N(C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000469121743 331446040 /nfs/dbraw/zinc/44/60/40/331446040.db2.gz TUUXEPJNYCJQFU-WMLDXEAASA-N 0 0 291.410 4.584 20 30 CJEDRN C=CCC(CC=C)C(=O)Nc1ccccc1C(C)(C)C ZINC000469269741 331448678 /nfs/dbraw/zinc/44/86/78/331448678.db2.gz ZQKQPMLMUGRDSO-UHFFFAOYSA-N 0 0 271.404 4.691 20 30 CJEDRN C=CCCCN(C)C(=O)c1sc2ccc(C)cc2c1C ZINC000469456133 331452068 /nfs/dbraw/zinc/45/20/68/331452068.db2.gz CNQFSVAJNLBGGK-UHFFFAOYSA-N 0 0 287.428 4.556 20 30 CJEDRN C=CCCC[C@H](C)NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000469748481 331456826 /nfs/dbraw/zinc/45/68/26/331456826.db2.gz LBSSHZUWQYPWHA-CABCVRRESA-N 0 0 298.430 4.523 20 30 CJEDRN C=CCCC[C@H](C)NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000469748482 331456807 /nfs/dbraw/zinc/45/68/07/331456807.db2.gz LBSSHZUWQYPWHA-GJZGRUSLSA-N 0 0 298.430 4.523 20 30 CJEDRN C=CCCC[C@@H](C)NC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000469748483 331456784 /nfs/dbraw/zinc/45/67/84/331456784.db2.gz LBSSHZUWQYPWHA-HUUCEWRRSA-N 0 0 298.430 4.523 20 30 CJEDRN C=CCCC[C@@H](C)NC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000469748484 331456821 /nfs/dbraw/zinc/45/68/21/331456821.db2.gz LBSSHZUWQYPWHA-LSDHHAIUSA-N 0 0 298.430 4.523 20 30 CJEDRN C=C(C)C[C@H](C)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000469951348 331466374 /nfs/dbraw/zinc/46/63/74/331466374.db2.gz XGOSEQPTUSLCAS-INIZCTEOSA-N 0 0 277.452 4.552 20 30 CJEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC2(CCCCC2)CC1 ZINC000469951349 331466233 /nfs/dbraw/zinc/46/62/33/331466233.db2.gz XGOSEQPTUSLCAS-MRXNPFEDSA-N 0 0 277.452 4.552 20 30 CJEDRN C=CCC[C@H](C(=O)NC1CCC2(CC2)CC1)c1ccccc1 ZINC000470099123 331471591 /nfs/dbraw/zinc/47/15/91/331471591.db2.gz YMVVKAHNVCLBHA-SFHVURJKSA-N 0 0 297.442 4.575 20 30 CJEDRN C[C@H](CNc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000470194145 331475125 /nfs/dbraw/zinc/47/51/25/331475125.db2.gz IMUJHKAZWSQOGN-CYBMUJFWSA-N 0 0 284.790 4.622 20 30 CJEDRN CC(C)c1ccc(CS[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000470263345 331477029 /nfs/dbraw/zinc/47/70/29/331477029.db2.gz ISKXSMMBGKTQLK-GOEBONIOSA-N 0 0 259.418 4.735 20 30 CJEDRN CC(C)c1ccc(CS[C@H]2CC[C@H](C#N)C2)cc1 ZINC000470263347 331477034 /nfs/dbraw/zinc/47/70/34/331477034.db2.gz ISKXSMMBGKTQLK-HOCLYGCPSA-N 0 0 259.418 4.735 20 30 CJEDRN N#Cc1cnccc1/C=C/c1ccc(-c2ccccc2F)o1 ZINC000470284761 331477866 /nfs/dbraw/zinc/47/78/66/331477866.db2.gz INDQEODQBSEHDP-AATRIKPKSA-N 0 0 290.297 4.523 20 30 CJEDRN N#Cc1cnccc1/C=C\c1ccc(-c2ccccc2F)o1 ZINC000470284765 331477812 /nfs/dbraw/zinc/47/78/12/331477812.db2.gz INDQEODQBSEHDP-WAYWQWQTSA-N 0 0 290.297 4.523 20 30 CJEDRN C=CC[C@@H]1N(C(=O)c2coc3ccccc32)CCCC1(C)C ZINC000470285370 331477873 /nfs/dbraw/zinc/47/78/73/331477873.db2.gz HYUBFCCSTUYZAI-KRWDZBQOSA-N 0 0 297.398 4.640 20 30 CJEDRN N#Cc1cnccc1/C=C\c1cc(-c2ccccc2)cs1 ZINC000470288606 331478085 /nfs/dbraw/zinc/47/80/85/331478085.db2.gz TWRDPBNZBHTMPL-SREVYHEPSA-N 0 0 288.375 4.852 20 30 CJEDRN N#Cc1cnccc1/C=C/c1cc(-c2ccccc2)cs1 ZINC000470288607 331478098 /nfs/dbraw/zinc/47/80/98/331478098.db2.gz TWRDPBNZBHTMPL-VOTSOKGWSA-N 0 0 288.375 4.852 20 30 CJEDRN C=CC[C@@H]1N(C(=O)c2cc3ccccc3o2)CCCC1(C)C ZINC000470295316 331478262 /nfs/dbraw/zinc/47/82/62/331478262.db2.gz IBDMOZKZHKUDOL-KRWDZBQOSA-N 0 0 297.398 4.640 20 30 CJEDRN C=CC[C@H]1N(C(=O)c2cc3ccccc3o2)CCCC1(C)C ZINC000470295317 331478398 /nfs/dbraw/zinc/47/83/98/331478398.db2.gz IBDMOZKZHKUDOL-QGZVFWFLSA-N 0 0 297.398 4.640 20 30 CJEDRN C=CC[C@H]1N(C(=O)c2csc(Cl)c2)CCCC1(C)C ZINC000470299183 331478554 /nfs/dbraw/zinc/47/85/54/331478554.db2.gz VFDPFNHTEVYTHT-GFCCVEGCSA-N 0 0 297.851 4.608 20 30 CJEDRN C[C@@H](CCC#N)Sc1c(Cl)cccc1Cl ZINC000470441219 331482261 /nfs/dbraw/zinc/48/22/61/331482261.db2.gz UWNKSQGFEKPQBM-QMMMGPOBSA-N 0 0 260.189 4.778 20 30 CJEDRN C[C@@H](CCC#N)SCc1c(Cl)cccc1Cl ZINC000470451481 331482774 /nfs/dbraw/zinc/48/27/74/331482774.db2.gz JBBOHHFDADQVRL-VIFPVBQESA-N 0 0 274.216 4.919 20 30 CJEDRN C=CCC1(C(=O)Nc2ccc(-c3ccco3)cc2F)CCC1 ZINC000470525328 331484711 /nfs/dbraw/zinc/48/47/11/331484711.db2.gz GJCPKJJGDZTBNX-UHFFFAOYSA-N 0 0 299.345 4.771 20 30 CJEDRN C=CCC(CC=C)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000470537232 331485060 /nfs/dbraw/zinc/48/50/60/331485060.db2.gz HKFDPCYPBUVKRL-UHFFFAOYSA-N 0 0 299.345 4.793 20 30 CJEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000470545572 331485271 /nfs/dbraw/zinc/48/52/71/331485271.db2.gz GLFYUYLORQUYBG-KRWDZBQOSA-N 0 0 287.334 4.627 20 30 CJEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000470545573 331485267 /nfs/dbraw/zinc/48/52/67/331485267.db2.gz GLFYUYLORQUYBG-QGZVFWFLSA-N 0 0 287.334 4.627 20 30 CJEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C)c1 ZINC000471127037 331501791 /nfs/dbraw/zinc/50/17/91/331501791.db2.gz HOHUWOIWMVPWCP-UHFFFAOYSA-N 0 0 294.398 4.605 20 30 CJEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1C ZINC000471133431 331501802 /nfs/dbraw/zinc/50/18/02/331501802.db2.gz OEDYKNDSMKVFCC-UHFFFAOYSA-N 0 0 294.398 4.605 20 30 CJEDRN C=CCCC(=O)Nc1cc(-c2ccccc2)ccc1Cl ZINC000471445874 331508812 /nfs/dbraw/zinc/50/88/12/331508812.db2.gz ZAUHTOMLZSAVKG-UHFFFAOYSA-N 0 0 285.774 4.912 20 30 CJEDRN C=CCCCCNC(=O)c1cc(Cl)ccc1SCC ZINC000471708667 331516984 /nfs/dbraw/zinc/51/69/84/331516984.db2.gz GCWBTFPTHWGZAX-UHFFFAOYSA-N 0 0 297.851 4.538 20 30 CJEDRN C[C@H]1CCN(CCCC(C)(C)C#N)c2ccccc2S1 ZINC000471717712 263260430 /nfs/dbraw/zinc/26/04/30/263260430.db2.gz YYWSEKDIEUQBSO-AWEZNQCLSA-N 0 0 288.460 4.707 20 30 CJEDRN C[C@@H]1CCN(CCCC(C)(C)C#N)c2ccccc2S1 ZINC000471717713 263260091 /nfs/dbraw/zinc/26/00/91/263260091.db2.gz YYWSEKDIEUQBSO-CQSZACIVSA-N 0 0 288.460 4.707 20 30 CJEDRN C=CCC(CC=C)C(=O)Nc1cccc(C(F)(F)F)c1C ZINC000471850070 331522387 /nfs/dbraw/zinc/52/23/87/331522387.db2.gz YAWFALPLKHPTJE-UHFFFAOYSA-N 0 0 297.320 4.721 20 30 CJEDRN CC#CCCSCC1CCC(C(F)(F)F)CC1 ZINC000471917970 331524112 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ZINC000485597436 331918488 /nfs/dbraw/zinc/91/84/88/331918488.db2.gz UZIGMWXMDTXTFP-CQSZACIVSA-N 0 0 292.407 4.733 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000485598139 331918634 /nfs/dbraw/zinc/91/86/34/331918634.db2.gz WQCLRTFSQZLMAZ-LLVKDONJSA-N 0 0 299.201 4.566 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1Cl ZINC000485598141 331918625 /nfs/dbraw/zinc/91/86/25/331918625.db2.gz WQCLRTFSQZLMAZ-NSHDSACASA-N 0 0 299.201 4.566 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000485599662 331918574 /nfs/dbraw/zinc/91/85/74/331918574.db2.gz MODMWXYKWLMWPZ-LLVKDONJSA-N 0 0 299.201 4.566 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000485599664 331918640 /nfs/dbraw/zinc/91/86/40/331918640.db2.gz MODMWXYKWLMWPZ-NSHDSACASA-N 0 0 299.201 4.566 20 30 CJEDRN C=CCCCCCSCC(=O)Nc1c(C)cccc1C ZINC000485600428 331918572 /nfs/dbraw/zinc/91/85/72/331918572.db2.gz OZGLWITYBMSODB-UHFFFAOYSA-N 0 0 291.460 4.722 20 30 CJEDRN C=CCCCCCSCC(=O)Nc1ccccc1CC ZINC000485603566 331918610 /nfs/dbraw/zinc/91/86/10/331918610.db2.gz SKYJTRAUOHDACH-UHFFFAOYSA-N 0 0 291.460 4.667 20 30 CJEDRN C=CCCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000485759594 331923509 /nfs/dbraw/zinc/92/35/09/331923509.db2.gz CYTVVJPHOLMTFR-UHFFFAOYSA-N 0 0 287.309 4.537 20 30 CJEDRN CC(C)(C#N)c1ccc(Nc2nc3c(cccc3F)o2)cc1 ZINC000485864700 331925788 /nfs/dbraw/zinc/92/57/88/331925788.db2.gz SICAEZZZHXALRO-UHFFFAOYSA-N 0 0 295.317 4.512 20 30 CJEDRN CC(=C\c1ccc(Cl)cc1)/C=C\c1ncccc1C#N ZINC000485988807 329006737 /nfs/dbraw/zinc/00/67/37/329006737.db2.gz VZGSWIFCWSOCTA-YDMFTTSLSA-N 0 0 280.758 4.723 20 30 CJEDRN N#Cc1cccnc1/C=C/c1ccc(F)c(Cl)c1Cl ZINC000486052065 331930075 /nfs/dbraw/zinc/93/00/75/331930075.db2.gz HTNYAZIIYWWTRL-GQCTYLIASA-N 0 0 293.128 4.570 20 30 CJEDRN N#Cc1cccnc1/C=C\c1ccc(F)c(Cl)c1Cl ZINC000486052072 331930000 /nfs/dbraw/zinc/93/00/00/331930000.db2.gz HTNYAZIIYWWTRL-XQRVVYSFSA-N 0 0 293.128 4.570 20 30 CJEDRN N#Cc1cccnc1/C=C/c1ccc(-c2ccccc2F)o1 ZINC000486055515 331930275 /nfs/dbraw/zinc/93/02/75/331930275.db2.gz ZONGPJYIRCVWCK-VQHVLOKHSA-N 0 0 290.297 4.523 20 30 CJEDRN N#Cc1cccnc1/C=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000486072761 331930710 /nfs/dbraw/zinc/93/07/10/331930710.db2.gz FCKRRGBVCWLKLR-VQHVLOKHSA-N 0 0 290.297 4.523 20 30 CJEDRN N#Cc1ccc(F)c(CNc2csc3ccccc23)c1 ZINC000486072784 331930668 /nfs/dbraw/zinc/93/06/68/331930668.db2.gz FPMARFUMRYDJEV-UHFFFAOYSA-N 0 0 282.343 4.524 20 30 CJEDRN CC(/C=C\c1nc2ccccc2n1CC#N)=C/c1ccccc1 ZINC000486101504 331931514 /nfs/dbraw/zinc/93/15/14/331931514.db2.gz GAWNBOSMQSAJKL-ATNUXVQMSA-N 0 0 299.377 4.677 20 30 CJEDRN CC(=C\c1ccccc1)/C=C\c1nc2ccccc2n1CC#N ZINC000486101510 331931385 /nfs/dbraw/zinc/93/13/85/331931385.db2.gz GAWNBOSMQSAJKL-YOPQAMBCSA-N 0 0 299.377 4.677 20 30 CJEDRN CC(C)(C#N)CCCSCCCc1cccc(F)c1 ZINC000486144038 331932354 /nfs/dbraw/zinc/93/23/54/331932354.db2.gz HUQFRAHLXXCSHI-UHFFFAOYSA-N 0 0 279.424 4.821 20 30 CJEDRN Cc1ccc(CCNc2ccccc2SCCC#N)cc1 ZINC000486190106 331933131 /nfs/dbraw/zinc/93/31/31/331933131.db2.gz AHNBPDLBFHHBRF-UHFFFAOYSA-N 0 0 296.439 4.655 20 30 CJEDRN N#Cc1cc(CNc2csc3ccccc23)ccc1F ZINC000486194815 331933115 /nfs/dbraw/zinc/93/31/15/331933115.db2.gz KYYJBEIMSLAYTP-UHFFFAOYSA-N 0 0 282.343 4.524 20 30 CJEDRN C=CCSc1ccccc1C(=O)N[C@H](C)C[C@H](C)CC ZINC000486344157 331935449 /nfs/dbraw/zinc/93/54/49/331935449.db2.gz OGAKDTLUBDVCPI-ZIAGYGMSSA-N 0 0 291.460 4.519 20 30 CJEDRN Cc1cc(C)cc(NCc2ccccc2C(C)(C)C#N)c1 ZINC000486427911 331936894 /nfs/dbraw/zinc/93/68/94/331936894.db2.gz KGZQLGKPOFQUHN-UHFFFAOYSA-N 0 0 278.399 4.717 20 30 CJEDRN Cc1cc(NCc2ccccc2C(C)(C)C#N)ccc1F ZINC000486436019 331936978 /nfs/dbraw/zinc/93/69/78/331936978.db2.gz SCDGGIFEMHZGFV-UHFFFAOYSA-N 0 0 282.362 4.547 20 30 CJEDRN Cc1cccc(C)c1NCc1ccccc1C(C)(C)C#N ZINC000486437196 331936976 /nfs/dbraw/zinc/93/69/76/331936976.db2.gz RVAXQFSFIIZVQL-UHFFFAOYSA-N 0 0 278.399 4.717 20 30 CJEDRN Cc1cc(F)ccc1NCc1ccccc1C(C)(C)C#N ZINC000486448308 331937311 /nfs/dbraw/zinc/93/73/11/331937311.db2.gz GLRVUQKUHNTHFJ-UHFFFAOYSA-N 0 0 282.362 4.547 20 30 CJEDRN CCc1ccccc1NCc1ccccc1C(C)(C)C#N ZINC000486450311 331936669 /nfs/dbraw/zinc/93/66/69/331936669.db2.gz WHLAZAISHKOHNP-UHFFFAOYSA-N 0 0 278.399 4.662 20 30 CJEDRN Cc1ccc(NCc2ccccc2C(C)(C)C#N)cc1C ZINC000486455007 331937534 /nfs/dbraw/zinc/93/75/34/331937534.db2.gz AKMXLJACUTUCSS-UHFFFAOYSA-N 0 0 278.399 4.717 20 30 CJEDRN CC(C)(C#N)c1ccccc1CNc1ccc(Cl)cc1 ZINC000486458579 331937668 /nfs/dbraw/zinc/93/76/68/331937668.db2.gz IUVVJQNEPROTMM-UHFFFAOYSA-N 0 0 284.790 4.753 20 30 CJEDRN CCc1ccc(NCc2ccccc2C(C)(C)C#N)cc1 ZINC000486459886 331937640 /nfs/dbraw/zinc/93/76/40/331937640.db2.gz VREVLDBXTHWPCY-UHFFFAOYSA-N 0 0 278.399 4.662 20 30 CJEDRN Cc1cccc(NCc2ccccc2C(C)(C)C#N)c1C ZINC000486460686 331937616 /nfs/dbraw/zinc/93/76/16/331937616.db2.gz XUELVXZEESIHFG-UHFFFAOYSA-N 0 0 278.399 4.717 20 30 CJEDRN CC(C)(C#N)c1ccccc1CNc1ccccc1Cl ZINC000486461310 331937643 /nfs/dbraw/zinc/93/76/43/331937643.db2.gz PLXGZYSTGOPDPL-UHFFFAOYSA-N 0 0 284.790 4.753 20 30 CJEDRN CC(C)(Sc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000486464909 331937731 /nfs/dbraw/zinc/93/77/31/331937731.db2.gz HJSXKKIYTPWVID-UHFFFAOYSA-N 0 0 288.803 4.634 20 30 CJEDRN CC(C)(Sc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000486477376 331938131 /nfs/dbraw/zinc/93/81/31/331938131.db2.gz HRFJMLXPFZOBFU-UHFFFAOYSA-N 0 0 288.803 4.634 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccccc1C(C)(C)C ZINC000486750526 331943724 /nfs/dbraw/zinc/94/37/24/331943724.db2.gz ZHCNUWCXSJLFOL-AWEZNQCLSA-N 0 0 286.419 4.557 20 30 CJEDRN CC(C)(C#N)CCCSCc1cc2ccccc2o1 ZINC000486766585 331944228 /nfs/dbraw/zinc/94/42/28/331944228.db2.gz JTARHNGSRJBTQM-UHFFFAOYSA-N 0 0 273.401 4.996 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000486777557 331944521 /nfs/dbraw/zinc/94/45/21/331944521.db2.gz FGFBJOPQSPURCH-INIZCTEOSA-N 0 0 286.419 4.557 20 30 CJEDRN CC(C)(CCC#N)CNc1ccc(-c2ccco2)cc1F ZINC000486791894 331945095 /nfs/dbraw/zinc/94/50/95/331945095.db2.gz AUQBDDAJABUZFN-UHFFFAOYSA-N 0 0 286.350 4.828 20 30 CJEDRN N#Cc1ccc(CNc2ccc(-c3ccco3)cc2F)cc1 ZINC000486799713 331945472 /nfs/dbraw/zinc/94/54/72/331945472.db2.gz HYUCJERONXQGPA-UHFFFAOYSA-N 0 0 292.313 4.569 20 30 CJEDRN N#Cc1ccccc1CNc1ccc(-c2ccco2)cc1F ZINC000486802063 331945750 /nfs/dbraw/zinc/94/57/50/331945750.db2.gz SMZQBCOHPFZFMC-UHFFFAOYSA-N 0 0 292.313 4.569 20 30 CJEDRN N#Cc1cccc(CNc2ccc(-c3ccco3)cc2F)c1 ZINC000486802499 329063560 /nfs/dbraw/zinc/06/35/60/329063560.db2.gz NGFBKCZHCHGVFD-UHFFFAOYSA-N 0 0 292.313 4.569 20 30 CJEDRN N#Cc1cc(Cl)ccc1N1CCC[C@H]1c1ccsc1 ZINC000486935082 331950345 /nfs/dbraw/zinc/95/03/45/331950345.db2.gz IOVILTDJRPTLCW-AWEZNQCLSA-N 0 0 288.803 4.615 20 30 CJEDRN N#Cc1cccc(Cl)c1N1CCC[C@@H]1c1ccsc1 ZINC000486939840 331950643 /nfs/dbraw/zinc/95/06/43/331950643.db2.gz OTBXJWCFDJBONK-CQSZACIVSA-N 0 0 288.803 4.615 20 30 CJEDRN Cc1ccc(NCC(C)(C)CCC#N)cc1OC(C)C ZINC000487208607 331959394 /nfs/dbraw/zinc/95/93/94/331959394.db2.gz HMPOLTYEMLHPRN-UHFFFAOYSA-N 0 0 274.408 4.524 20 30 CJEDRN CC(C)(C#N)c1ccccc1CSc1ccccc1 ZINC000487446048 331970620 /nfs/dbraw/zinc/97/06/20/331970620.db2.gz TVGZSRHJSYVEEO-UHFFFAOYSA-N 0 0 267.397 4.780 20 30 CJEDRN C=CC1CCN(C(=O)C/C=C/c2ccc(C(C)C)cc2)CC1 ZINC000487527138 331972394 /nfs/dbraw/zinc/97/23/94/331972394.db2.gz CFBMCPBWVLWENU-AATRIKPKSA-N 0 0 297.442 4.638 20 30 CJEDRN C=CC[C@@H](C(=O)N(C)C1CCCCCC1)c1ccccc1 ZINC000487531488 331972678 /nfs/dbraw/zinc/97/26/78/331972678.db2.gz BFBNEORGKFEFAM-GOSISDBHSA-N 0 0 285.431 4.528 20 30 CJEDRN C=CC[C@H](C(=O)N(C)C1CCCCCC1)c1ccccc1 ZINC000487531493 331972658 /nfs/dbraw/zinc/97/26/58/331972658.db2.gz BFBNEORGKFEFAM-SFHVURJKSA-N 0 0 285.431 4.528 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1cccc(SC)c1)c1ccccc1 ZINC000487566811 331975169 /nfs/dbraw/zinc/97/51/69/331975169.db2.gz APIWJZANEKIEGD-QGZVFWFLSA-N 0 0 297.423 4.707 20 30 CJEDRN C=CCC[C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000487576572 331976116 /nfs/dbraw/zinc/97/61/16/331976116.db2.gz XEFQZTDKAAEQDD-GOSISDBHSA-N 0 0 293.410 4.992 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1ccc(Cl)cc1C)c1ccccc1 ZINC000487582097 331976332 /nfs/dbraw/zinc/97/63/32/331976332.db2.gz GBVPWKNDNDGYEA-MRXNPFEDSA-N 0 0 299.801 4.947 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1cc(C)ccc1F)c1ccccc1 ZINC000487583307 331976314 /nfs/dbraw/zinc/97/63/14/331976314.db2.gz LCNXDMVFRTVQRG-INIZCTEOSA-N 0 0 297.373 4.823 20 30 CJEDRN C=CCC[C@@H](C(=O)Nc1cc(C)ccc1F)c1ccccc1 ZINC000487583308 331976307 /nfs/dbraw/zinc/97/63/07/331976307.db2.gz LCNXDMVFRTVQRG-MRXNPFEDSA-N 0 0 297.373 4.823 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1ccccc1CC)c1ccccc1 ZINC000487590293 331976465 /nfs/dbraw/zinc/97/64/65/331976465.db2.gz KPWDVXWXWCKVJV-SFHVURJKSA-N 0 0 293.410 4.938 20 30 CJEDRN C=CC[C@H](C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000487591006 331976422 /nfs/dbraw/zinc/97/64/22/331976422.db2.gz AIXKFYQUKXZWHT-HNNXBMFYSA-N 0 0 299.801 4.947 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1ccc(C)cc1Cl)c1ccccc1 ZINC000487591008 331976551 /nfs/dbraw/zinc/97/65/51/331976551.db2.gz AIXKFYQUKXZWHT-OAHLLOKOSA-N 0 0 299.801 4.947 20 30 CJEDRN C=CCC[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000487599138 331976775 /nfs/dbraw/zinc/97/67/75/331976775.db2.gz OOISGBUIXHLXIC-GOSISDBHSA-N 0 0 293.410 4.992 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000487599139 331976656 /nfs/dbraw/zinc/97/66/56/331976656.db2.gz OOISGBUIXHLXIC-SFHVURJKSA-N 0 0 293.410 4.992 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1ccc(C)cc1F)c1ccccc1 ZINC000487614751 331977082 /nfs/dbraw/zinc/97/70/82/331977082.db2.gz HZCIBHFMUKQHRQ-INIZCTEOSA-N 0 0 297.373 4.823 20 30 CJEDRN C=CCC[C@@H](C(=O)Nc1ccc(F)cc1C)c1ccccc1 ZINC000487624905 331977375 /nfs/dbraw/zinc/97/73/75/331977375.db2.gz XVUQMQCOQFFMSI-QGZVFWFLSA-N 0 0 297.373 4.823 20 30 CJEDRN C=CCC[C@H](C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000487634433 331977724 /nfs/dbraw/zinc/97/77/24/331977724.db2.gz FCDDEBBPSSNFFS-LPHOPBHVSA-N 0 0 293.410 4.614 20 30 CJEDRN C=CCC[C@@H](C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000487634435 331977734 /nfs/dbraw/zinc/97/77/34/331977734.db2.gz FCDDEBBPSSNFFS-QFBILLFUSA-N 0 0 293.410 4.614 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000487641663 331978046 /nfs/dbraw/zinc/97/80/46/331978046.db2.gz ZZWARMDSSBBFDH-SFHVURJKSA-N 0 0 293.410 4.992 20 30 CJEDRN C=CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000487704367 331979312 /nfs/dbraw/zinc/97/93/12/331979312.db2.gz COZFOSURWCPJKV-APWZRJJASA-N 0 0 293.410 4.532 20 30 CJEDRN CC(C)(C#N)c1ccccc1CSC1CCCC1 ZINC000487711910 331979574 /nfs/dbraw/zinc/97/95/74/331979574.db2.gz VYDPSQFLYNUYRT-UHFFFAOYSA-N 0 0 259.418 4.664 20 30 CJEDRN C=CC[C@H](C(=O)Nc1ccc(SC)cc1)c1ccccc1 ZINC000487772205 331980911 /nfs/dbraw/zinc/98/09/11/331980911.db2.gz OUEKLVLQLPLTDT-KRWDZBQOSA-N 0 0 297.423 4.707 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1ccc(SC)cc1)c1ccccc1 ZINC000487772206 331981019 /nfs/dbraw/zinc/98/10/19/331981019.db2.gz OUEKLVLQLPLTDT-QGZVFWFLSA-N 0 0 297.423 4.707 20 30 CJEDRN C[C@H](CCC#N)S[C@@H](C)c1cccc(Br)c1 ZINC000487899689 331983615 /nfs/dbraw/zinc/98/36/15/331983615.db2.gz QVRDXRKKWWGTTL-MNOVXSKESA-N 0 0 298.249 4.936 20 30 CJEDRN CC[C@H](C#N)S[C@H](C)c1cccc(Br)c1 ZINC000487910734 331983999 /nfs/dbraw/zinc/98/39/99/331983999.db2.gz DFJMETYXRJBPER-BXKDBHETSA-N 0 0 284.222 4.545 20 30 CJEDRN CC[C@@H](C#N)S[C@@H](C)c1cccc(Br)c1 ZINC000487910735 331984048 /nfs/dbraw/zinc/98/40/48/331984048.db2.gz DFJMETYXRJBPER-CABZTGNLSA-N 0 0 284.222 4.545 20 30 CJEDRN CC[C@H](C#N)S[C@@H](C)c1cccc(Br)c1 ZINC000487910737 331983957 /nfs/dbraw/zinc/98/39/57/331983957.db2.gz DFJMETYXRJBPER-JOYOIKCWSA-N 0 0 284.222 4.545 20 30 CJEDRN CC[C@@H](C#N)S[C@H](C)c1cccc(Br)c1 ZINC000487910738 331983984 /nfs/dbraw/zinc/98/39/84/331983984.db2.gz DFJMETYXRJBPER-SKDRFNHKSA-N 0 0 284.222 4.545 20 30 CJEDRN N#Cc1c(F)cccc1CSc1cccc2cccnc21 ZINC000488219338 331994417 /nfs/dbraw/zinc/99/44/17/331994417.db2.gz HZOQZVDEXBXHAH-UHFFFAOYSA-N 0 0 294.354 4.538 20 30 CJEDRN N#Cc1c(F)cccc1CSc1ccc2ccccc2n1 ZINC000488237374 262299680 /nfs/dbraw/zinc/29/96/80/262299680.db2.gz UUVYVKPGLZTZTK-UHFFFAOYSA-N 0 0 294.354 4.538 20 30 CJEDRN CC(C)O[C@H](CSc1cccc(C#N)c1)c1ccccc1 ZINC000488271544 331996850 /nfs/dbraw/zinc/99/68/50/331996850.db2.gz YWSCPICUYNGQAE-GOSISDBHSA-N 0 0 297.423 4.817 20 30 CJEDRN N#CCCCOc1cccc(NC2CCC3(CC3)CC2)c1 ZINC000488332924 332000291 /nfs/dbraw/zinc/00/02/91/332000291.db2.gz BZXSGSWMUDIMJH-UHFFFAOYSA-N 0 0 284.403 4.504 20 30 CJEDRN CCc1cccc(NCC(C)(C)CCC#N)c1CC ZINC000488389909 332003631 /nfs/dbraw/zinc/00/36/31/332003631.db2.gz AJLMAEUSRCHCHC-UHFFFAOYSA-N 0 0 258.409 4.553 20 30 CJEDRN C=CCN(C(=O)c1cccc(SCC)c1)c1ccccc1 ZINC000488436775 332008140 /nfs/dbraw/zinc/00/81/40/332008140.db2.gz URVDTAKPWDSXCT-UHFFFAOYSA-N 0 0 297.423 4.631 20 30 CJEDRN COc1ccc(SCc2ccccc2C(C)(C)C#N)cc1 ZINC000488497923 332013940 /nfs/dbraw/zinc/01/39/40/332013940.db2.gz MGQRBZOCECPTRQ-UHFFFAOYSA-N 0 0 297.423 4.789 20 30 CJEDRN C[C@@H](SCc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000488531815 332015913 /nfs/dbraw/zinc/01/59/13/332015913.db2.gz VDOUIMIYVFAIHQ-LLVKDONJSA-N 0 0 289.350 4.831 20 30 CJEDRN C[C@H](SCc1ccc(F)cc1C#N)c1cccc(F)c1 ZINC000488531903 332016001 /nfs/dbraw/zinc/01/60/01/332016001.db2.gz VDOUIMIYVFAIHQ-NSHDSACASA-N 0 0 289.350 4.831 20 30 CJEDRN Cc1cc(CSCc2ccc(F)cc2C#N)c(C)s1 ZINC000488537810 332016214 /nfs/dbraw/zinc/01/62/14/332016214.db2.gz BMWFIYPAFXJOCZ-UHFFFAOYSA-N 0 0 291.416 4.809 20 30 CJEDRN N#Cc1cc(F)ccc1CSC/C=C\c1ccccc1 ZINC000488540286 332016080 /nfs/dbraw/zinc/01/60/80/332016080.db2.gz LVCPWWFSRYSYJE-DAXSKMNVSA-N 0 0 283.371 4.644 20 30 CJEDRN N#Cc1cc(F)ccc1CSC/C=C/c1ccccc1 ZINC000488540292 332016078 /nfs/dbraw/zinc/01/60/78/332016078.db2.gz LVCPWWFSRYSYJE-QPJJXVBHSA-N 0 0 283.371 4.644 20 30 CJEDRN C[C@@H](SCc1ccc(F)cc1C#N)c1ccccc1 ZINC000488541977 332016398 /nfs/dbraw/zinc/01/63/98/332016398.db2.gz UXAGWUOWBWLSMP-GFCCVEGCSA-N 0 0 271.360 4.692 20 30 CJEDRN C[C@H](SCc1ccc(F)cc1C#N)c1ccccc1 ZINC000488541978 332016400 /nfs/dbraw/zinc/01/64/00/332016400.db2.gz UXAGWUOWBWLSMP-LBPRGKRZSA-N 0 0 271.360 4.692 20 30 CJEDRN C=CCCc1ccccc1NC(=O)c1cc[nH]c1C1CCC1 ZINC000488563256 332017505 /nfs/dbraw/zinc/01/75/05/332017505.db2.gz PEIKMZWVMVXUSK-UHFFFAOYSA-N 0 0 294.398 4.653 20 30 CJEDRN CC(C)n1ccnc1SCc1ccccc1C(C)(C)C#N ZINC000488605275 332020239 /nfs/dbraw/zinc/02/02/39/332020239.db2.gz HOJCFXZRMGVAJL-UHFFFAOYSA-N 0 0 299.443 4.557 20 30 CJEDRN CCN(C[C@H](C)C#N)[C@H](C)c1cc(Cl)ccc1Cl ZINC000488618409 332020380 /nfs/dbraw/zinc/02/03/80/332020380.db2.gz OVGIQQWBFYUNNI-GHMZBOCLSA-N 0 0 285.218 4.536 20 30 CJEDRN CCN(C[C@H](C)C#N)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000488618410 332020327 /nfs/dbraw/zinc/02/03/27/332020327.db2.gz OVGIQQWBFYUNNI-MNOVXSKESA-N 0 0 285.218 4.536 20 30 CJEDRN CCN(C[C@@H](C)C#N)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000488618411 332020454 /nfs/dbraw/zinc/02/04/54/332020454.db2.gz OVGIQQWBFYUNNI-QWRGUYRKSA-N 0 0 285.218 4.536 20 30 CJEDRN CCN(C[C@@H](C)C#N)[C@H](C)c1cc(Cl)ccc1Cl ZINC000488618412 332020405 /nfs/dbraw/zinc/02/04/05/332020405.db2.gz OVGIQQWBFYUNNI-WDEREUQCSA-N 0 0 285.218 4.536 20 30 CJEDRN COc1cccc(SCc2ccccc2C(C)(C)C#N)c1 ZINC000488636111 332020598 /nfs/dbraw/zinc/02/05/98/332020598.db2.gz HOKNGUDQFNOFFN-UHFFFAOYSA-N 0 0 297.423 4.789 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1ccccc1CCC)c1ccccc1 ZINC000488644702 332020803 /nfs/dbraw/zinc/02/08/03/332020803.db2.gz NZVZGHGYQSLPKF-GOSISDBHSA-N 0 0 293.410 4.938 20 30 CJEDRN C=CC[C@H](C(=O)Nc1ccccc1CCC)c1ccccc1 ZINC000488644704 332020740 /nfs/dbraw/zinc/02/07/40/332020740.db2.gz NZVZGHGYQSLPKF-SFHVURJKSA-N 0 0 293.410 4.938 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000488649539 332020766 /nfs/dbraw/zinc/02/07/66/332020766.db2.gz TVCDDXUKDGECBX-HNNXBMFYSA-N 0 0 298.386 4.622 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000488649540 332020747 /nfs/dbraw/zinc/02/07/47/332020747.db2.gz TVCDDXUKDGECBX-OAHLLOKOSA-N 0 0 298.386 4.622 20 30 CJEDRN C=CCC[C@H](C(=O)N(C)c1ccccc1F)c1ccccc1 ZINC000488712440 332022286 /nfs/dbraw/zinc/02/22/86/332022286.db2.gz AOKKCFHUDZJWKS-INIZCTEOSA-N 0 0 297.373 4.539 20 30 CJEDRN C=CCC[C@@H](C(=O)N(C)c1ccccc1F)c1ccccc1 ZINC000488712442 332022276 /nfs/dbraw/zinc/02/22/76/332022276.db2.gz AOKKCFHUDZJWKS-MRXNPFEDSA-N 0 0 297.373 4.539 20 30 CJEDRN CC(C)(C#N)c1ccccc1CSc1cccs1 ZINC000488716705 332022351 /nfs/dbraw/zinc/02/23/51/332022351.db2.gz RGLJAWWDQLDRAL-UHFFFAOYSA-N 0 0 273.426 4.842 20 30 CJEDRN N#Cc1ccc(SCc2cc3ccccc3o2)cc1 ZINC000488794378 332025913 /nfs/dbraw/zinc/02/59/13/332025913.db2.gz KAISENMZYVQHIT-UHFFFAOYSA-N 0 0 265.337 4.597 20 30 CJEDRN CC(C)(C#N)c1ccccc1CSc1ccc(C#N)cc1 ZINC000488804259 332026329 /nfs/dbraw/zinc/02/63/29/332026329.db2.gz UVJDHOWQGKFLSM-UHFFFAOYSA-N 0 0 292.407 4.652 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000488826452 332027792 /nfs/dbraw/zinc/02/77/92/332027792.db2.gz LVDXPDFLMPVSNZ-BRWVUGGUSA-N 0 0 297.442 4.543 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000488826453 332027874 /nfs/dbraw/zinc/02/78/74/332027874.db2.gz LVDXPDFLMPVSNZ-GVDBMIGSSA-N 0 0 297.442 4.543 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000488827126 332027823 /nfs/dbraw/zinc/02/78/23/332027823.db2.gz LVDXPDFLMPVSNZ-IXDOHACOSA-N 0 0 297.442 4.543 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000488827127 332027837 /nfs/dbraw/zinc/02/78/37/332027837.db2.gz LVDXPDFLMPVSNZ-YESZJQIVSA-N 0 0 297.442 4.543 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000488836182 332028191 /nfs/dbraw/zinc/02/81/91/332028191.db2.gz AWAOZIDVXZFADF-IBGZPJMESA-N 0 0 291.394 4.534 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000488836183 332028233 /nfs/dbraw/zinc/02/82/33/332028233.db2.gz AWAOZIDVXZFADF-LJQANCHMSA-N 0 0 291.394 4.534 20 30 CJEDRN C=CCN(C(=O)c1cc2cccc(C)c2o1)c1ccccc1 ZINC000488868971 332030487 /nfs/dbraw/zinc/03/04/87/332030487.db2.gz TXXXLIRXGUKLFO-UHFFFAOYSA-N 0 0 291.350 4.574 20 30 CJEDRN C=CCCC(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000488869613 332030580 /nfs/dbraw/zinc/03/05/80/332030580.db2.gz AYMYRPXDLOBTDW-UHFFFAOYSA-N 0 0 289.419 4.605 20 30 CJEDRN N#Cc1ccccc1SCc1cc2ccccc2o1 ZINC000488872021 332030759 /nfs/dbraw/zinc/03/07/59/332030759.db2.gz RGCRQNOLRSTOQZ-UHFFFAOYSA-N 0 0 265.337 4.597 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000488877451 332031377 /nfs/dbraw/zinc/03/13/77/332031377.db2.gz JXIRKYSCTUYUSD-BEFAXECRSA-N 0 0 293.410 4.510 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000488877452 332031415 /nfs/dbraw/zinc/03/14/15/332031415.db2.gz JXIRKYSCTUYUSD-DNVCBOLYSA-N 0 0 293.410 4.510 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000488877453 332031356 /nfs/dbraw/zinc/03/13/56/332031356.db2.gz JXIRKYSCTUYUSD-HNAYVOBHSA-N 0 0 293.410 4.510 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)[C@@H](C)c1ccc2ccccc2c1 ZINC000488877454 332031382 /nfs/dbraw/zinc/03/13/82/332031382.db2.gz JXIRKYSCTUYUSD-KXBFYZLASA-N 0 0 293.410 4.510 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000488880617 332031630 /nfs/dbraw/zinc/03/16/30/332031630.db2.gz NSTXISSDNMSWCU-ACBHZAAOSA-N 0 0 297.442 4.528 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)C1CCC(c2ccccc2)CC1 ZINC000488880619 332031742 /nfs/dbraw/zinc/03/17/42/332031742.db2.gz NSTXISSDNMSWCU-CTWPCTMYSA-N 0 0 297.442 4.528 20 30 CJEDRN C=C[C@@H]1CCCCN1C(=O)Nc1c(C)c(C)ccc1Cl ZINC000489075228 332040529 /nfs/dbraw/zinc/04/05/29/332040529.db2.gz QFNPTWYURVRQGY-CYBMUJFWSA-N 0 0 292.810 4.529 20 30 CJEDRN C=C[C@H]1CCCCN1C(=O)Nc1c(C)c(C)ccc1Cl ZINC000489075231 332040525 /nfs/dbraw/zinc/04/05/25/332040525.db2.gz QFNPTWYURVRQGY-ZDUSSCGKSA-N 0 0 292.810 4.529 20 30 CJEDRN N#CCCCCN(Cc1ccco1)c1cccc(Cl)c1 ZINC000489197010 332043092 /nfs/dbraw/zinc/04/30/92/332043092.db2.gz QBTHAYRCUGNIAC-UHFFFAOYSA-N 0 0 288.778 4.633 20 30 CJEDRN C=CCCC(=O)N1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000489460751 332053962 /nfs/dbraw/zinc/05/39/62/332053962.db2.gz SEJWACGRXSECFF-GOSISDBHSA-N 0 0 285.431 4.830 20 30 CJEDRN C=CCCC(=O)N1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC000489460752 332053796 /nfs/dbraw/zinc/05/37/96/332053796.db2.gz SEJWACGRXSECFF-SFHVURJKSA-N 0 0 285.431 4.830 20 30 CJEDRN Cc1ccc([C@H](C)N(C)Cc2ccc(F)cc2C#N)c(C)c1 ZINC000489600975 332061029 /nfs/dbraw/zinc/06/10/29/332061029.db2.gz ZPLQTEHIUOHIBS-HNNXBMFYSA-N 0 0 296.389 4.507 20 30 CJEDRN Cc1ccc([C@@H](C)N(C)Cc2ccc(F)cc2C#N)c(C)c1 ZINC000489600976 332061159 /nfs/dbraw/zinc/06/11/59/332061159.db2.gz ZPLQTEHIUOHIBS-OAHLLOKOSA-N 0 0 296.389 4.507 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1cccc(C)c1F)c1ccccc1 ZINC000489606101 332061246 /nfs/dbraw/zinc/06/12/46/332061246.db2.gz CLDNKZDEEUPGPK-INIZCTEOSA-N 0 0 297.373 4.823 20 30 CJEDRN C=CCC[C@@H](C(=O)Nc1cccc(C)c1F)c1ccccc1 ZINC000489606102 332061304 /nfs/dbraw/zinc/06/13/04/332061304.db2.gz CLDNKZDEEUPGPK-MRXNPFEDSA-N 0 0 297.373 4.823 20 30 CJEDRN C=CCC1(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000489661976 332063576 /nfs/dbraw/zinc/06/35/76/332063576.db2.gz DIUCOKBRVLYTGS-MSOLQXFVSA-N 0 0 297.442 4.575 20 30 CJEDRN C=CCC1(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000489661978 332063560 /nfs/dbraw/zinc/06/35/60/332063560.db2.gz DIUCOKBRVLYTGS-QZTJIDSGSA-N 0 0 297.442 4.575 20 30 CJEDRN C=CCC1(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000489661980 332063641 /nfs/dbraw/zinc/06/36/41/332063641.db2.gz DIUCOKBRVLYTGS-ROUUACIJSA-N 0 0 297.442 4.575 20 30 CJEDRN C=CCC1(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000489661981 332063579 /nfs/dbraw/zinc/06/35/79/332063579.db2.gz DIUCOKBRVLYTGS-ZWKOTPCHSA-N 0 0 297.442 4.575 20 30 CJEDRN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000489669900 332064194 /nfs/dbraw/zinc/06/41/94/332064194.db2.gz WNNKAXPZMCGVSQ-MOPGFXCFSA-N 0 0 297.442 4.597 20 30 CJEDRN C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000489669902 332064214 /nfs/dbraw/zinc/06/42/14/332064214.db2.gz WNNKAXPZMCGVSQ-OALUTQOASA-N 0 0 297.442 4.597 20 30 CJEDRN C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000489669903 332064255 /nfs/dbraw/zinc/06/42/55/332064255.db2.gz WNNKAXPZMCGVSQ-RBUKOAKNSA-N 0 0 297.442 4.597 20 30 CJEDRN C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000489669905 332064270 /nfs/dbraw/zinc/06/42/70/332064270.db2.gz WNNKAXPZMCGVSQ-RTBURBONSA-N 0 0 297.442 4.597 20 30 CJEDRN N#Cc1cccc(SCc2cc3ccccc3o2)c1 ZINC000489677229 332064487 /nfs/dbraw/zinc/06/44/87/332064487.db2.gz HYPXFOBNQLLHDE-UHFFFAOYSA-N 0 0 265.337 4.597 20 30 CJEDRN C=CCC[C@H](C(=O)Nc1cscc1C)c1ccccc1 ZINC000489709753 332065585 /nfs/dbraw/zinc/06/55/85/332065585.db2.gz DDBDUXOVDMXGFX-HNNXBMFYSA-N 0 0 285.412 4.745 20 30 CJEDRN C=CCC[C@@H](C(=O)Nc1cscc1C)c1ccccc1 ZINC000489709755 332065667 /nfs/dbraw/zinc/06/56/67/332065667.db2.gz DDBDUXOVDMXGFX-OAHLLOKOSA-N 0 0 285.412 4.745 20 30 CJEDRN C=CC[C@H](C(=O)Nc1cc(C)ccc1Cl)c1ccccc1 ZINC000489721096 332066124 /nfs/dbraw/zinc/06/61/24/332066124.db2.gz NHJNBZIYZURIHZ-HNNXBMFYSA-N 0 0 299.801 4.947 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1cc(C)ccc1Cl)c1ccccc1 ZINC000489721097 332066104 /nfs/dbraw/zinc/06/61/04/332066104.db2.gz 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C=CCC(CC=C)c1nc(C[C@@H](C)c2ccccc2)no1 ZINC000545758221 333998555 /nfs/dbraw/zinc/99/85/55/333998555.db2.gz XKTXIDLWPOZUHS-CQSZACIVSA-N 0 0 282.387 4.652 20 30 CJEDRN CC[C@@H](CC#N)NCc1ccc(Sc2ccccc2)cc1 ZINC000545875392 334003518 /nfs/dbraw/zinc/00/35/18/334003518.db2.gz QCVNHWUVYVEDET-INIZCTEOSA-N 0 0 296.439 4.620 20 30 CJEDRN CC[C@H](CC#N)NCc1ccc(Sc2ccccc2)cc1 ZINC000545875399 334003485 /nfs/dbraw/zinc/00/34/85/334003485.db2.gz QCVNHWUVYVEDET-MRXNPFEDSA-N 0 0 296.439 4.620 20 30 CJEDRN C=CC[C@H](CC)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000546059397 334015021 /nfs/dbraw/zinc/01/50/21/334015021.db2.gz ZNJUJJHCSBBZFY-INIZCTEOSA-N 0 0 294.398 4.889 20 30 CJEDRN C=CC[C@@H](CC)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000546059398 334015026 /nfs/dbraw/zinc/01/50/26/334015026.db2.gz ZNJUJJHCSBBZFY-MRXNPFEDSA-N 0 0 294.398 4.889 20 30 CJEDRN C=CCCCCCN(C)C(=O)c1ccc(C(C)C)s1 ZINC000546189350 334019083 /nfs/dbraw/zinc/01/90/83/334019083.db2.gz JNNCMZRAXSTSJA-UHFFFAOYSA-N 0 0 279.449 4.690 20 30 CJEDRN 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C=CCC(CC=C)C(=O)N1CCCC[C@H]1c1ccccc1 ZINC000546676581 334045369 /nfs/dbraw/zinc/04/53/69/334045369.db2.gz MOLWTLRHLNTGQU-SFHVURJKSA-N 0 0 283.415 4.509 20 30 CJEDRN Cc1cc(Cl)cc(C)c1CNc1ccc(CC#N)cc1 ZINC000546781327 334050447 /nfs/dbraw/zinc/05/04/47/334050447.db2.gz QKJUOWUMWHMDGA-UHFFFAOYSA-N 0 0 284.790 4.635 20 30 CJEDRN N#Cc1ccc(SCc2ccc(Cl)s2)c(F)c1 ZINC000546898774 334054707 /nfs/dbraw/zinc/05/47/07/334054707.db2.gz FDXALMDODBYDCQ-UHFFFAOYSA-N 0 0 283.780 4.705 20 30 CJEDRN N#Cc1ccccc1SCc1ccc(Cl)s1 ZINC000546899528 334054706 /nfs/dbraw/zinc/05/47/06/334054706.db2.gz XOQUUIMMVJNISA-UHFFFAOYSA-N 0 0 265.790 4.565 20 30 CJEDRN C=CCCCc1nc(CSc2ccc(Cl)cc2)no1 ZINC000546941769 334057068 /nfs/dbraw/zinc/05/70/68/334057068.db2.gz JIFUWKMUJWDYHJ-UHFFFAOYSA-N 0 0 294.807 4.524 20 30 CJEDRN C=CCC(CC=C)c1nc(-c2ccc3ncccc3c2)no1 ZINC000547052915 334064071 /nfs/dbraw/zinc/06/40/71/334064071.db2.gz GRYGRCMQMIWUQH-UHFFFAOYSA-N 0 0 291.354 4.521 20 30 CJEDRN CC#CCCCC(=O)N(C)c1ccc(-c2ccccc2)cc1 ZINC000547341687 334081255 /nfs/dbraw/zinc/08/12/55/334081255.db2.gz PJADZHHSGDQTOT-UHFFFAOYSA-N 0 0 291.394 4.510 20 30 CJEDRN N#Cc1ccc(SCc2ccc3ncccc3c2)c(F)c1 ZINC000547435301 334088030 /nfs/dbraw/zinc/08/80/30/334088030.db2.gz ZBRUSALARGXIKU-UHFFFAOYSA-N 0 0 294.354 4.538 20 30 CJEDRN Cc1cc(NCCCC(C)(C)C#N)ccc1C1CC1 ZINC000547489146 334092960 /nfs/dbraw/zinc/09/29/60/334092960.db2.gz JVXRHKGGTIBGGR-UHFFFAOYSA-N 0 0 256.393 4.614 20 30 CJEDRN C=CCSc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000547607274 334102353 /nfs/dbraw/zinc/10/23/53/334102353.db2.gz MWSQFKFPFRZONE-UHFFFAOYSA-N 0 0 283.396 4.525 20 30 CJEDRN C=CC[C@H](C(=O)Nc1cccc(C)c1Cl)c1ccccc1 ZINC000547635786 334104558 /nfs/dbraw/zinc/10/45/58/334104558.db2.gz CDGISVLGJFYUMR-HNNXBMFYSA-N 0 0 299.801 4.947 20 30 CJEDRN C=CC[C@@H](C(=O)Nc1cccc(C)c1Cl)c1ccccc1 ZINC000547635787 334104644 /nfs/dbraw/zinc/10/46/44/334104644.db2.gz CDGISVLGJFYUMR-OAHLLOKOSA-N 0 0 299.801 4.947 20 30 CJEDRN CCc1c(NCCCC(C)(C)C#N)cnn1C(CC)CC ZINC000547763016 334115569 /nfs/dbraw/zinc/11/55/69/334115569.db2.gz CBRJAXYVGOFZFM-UHFFFAOYSA-N 0 0 290.455 4.548 20 30 CJEDRN C=CCSc1ccccc1C(=O)NCCCC(C)(C)C ZINC000547944872 334130264 /nfs/dbraw/zinc/13/02/64/334130264.db2.gz PNFYFAZJUXQSIS-UHFFFAOYSA-N 0 0 291.460 4.521 20 30 CJEDRN C=CCC[C@@H](C(=O)N(C)c1ccc(F)cc1)c1ccccc1 ZINC000547954600 334131208 /nfs/dbraw/zinc/13/12/08/334131208.db2.gz NFBAAEANXWELBR-GOSISDBHSA-N 0 0 297.373 4.539 20 30 CJEDRN C=CCC[C@H](C(=O)N(C)c1ccc(F)cc1)c1ccccc1 ZINC000547954601 334131195 /nfs/dbraw/zinc/13/11/95/334131195.db2.gz NFBAAEANXWELBR-SFHVURJKSA-N 0 0 297.373 4.539 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1[C@@H](C)C[C@@H]1C ZINC000548087705 334139127 /nfs/dbraw/zinc/13/91/27/334139127.db2.gz JQEACJFCVCIGCJ-KBPBESRZSA-N 0 0 286.419 4.553 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1[C@H](C)C[C@@H]1C ZINC000548087708 334139214 /nfs/dbraw/zinc/13/92/14/334139214.db2.gz JQEACJFCVCIGCJ-OKILXGFUSA-N 0 0 286.419 4.553 20 30 CJEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1[C@H](C)C[C@H]1C 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