smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)o1 ZINC000159657507 261191029 /nfs/dbraw/zinc/19/10/29/261191029.db2.gz FHMBIVFRKFGYFF-BONVTDFDSA-N 0 0 284.359 3.660 10 70 CHIERN CC[C@H](NC(=O)C[C@@H](C)C(C)C)c1c(C)noc1C ZINC000160652559 264254756 /nfs/dbraw/zinc/25/47/56/264254756.db2.gz KFEPBLBRRWUTHP-MFKMUULPSA-N 0 0 266.385 3.541 10 70 CHIERN CCC(C)(C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159583281 521261777 /nfs/dbraw/zinc/26/17/77/521261777.db2.gz YYMIFUVTTXZVKW-UHFFFAOYSA-N 0 0 275.367 3.878 10 70 CHIERN Cc1n[nH]cc1CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000160722604 526546468 /nfs/dbraw/zinc/54/64/68/526546468.db2.gz HTIUOWQTMVNXNO-AWEZNQCLSA-N 0 0 298.415 3.665 10 70 CHIERN O=C([C@H]1C[C@@H]1C1CCCCC1)N(Cc1ccncc1)C1CC1 ZINC000161475224 261247643 /nfs/dbraw/zinc/24/76/43/261247643.db2.gz NXRDZRIBVPHLLV-MSOLQXFVSA-N 0 0 298.430 3.789 10 70 CHIERN C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(O)cc2)c2ccccc21 ZINC000159484505 327200468 /nfs/dbraw/zinc/20/04/68/327200468.db2.gz PCCGAZXMXPYAHR-FZKQIMNGSA-N 0 0 295.382 3.690 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H](C)C2CC2)cc1 ZINC000159513155 327480819 /nfs/dbraw/zinc/48/08/19/327480819.db2.gz JAOZMDWEKRTQDK-KGLIPLIRSA-N 0 0 289.419 3.945 10 70 CHIERN CCc1ncnc(N[C@H](C)c2ccc(C)c(F)c2)c1F ZINC000218066582 333126304 /nfs/dbraw/zinc/12/63/04/333126304.db2.gz VZPLLTQYEAULER-SNVBAGLBSA-N 0 0 277.318 3.799 10 70 CHIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H]1c1ccncc1 ZINC000159637298 261190247 /nfs/dbraw/zinc/19/02/47/261190247.db2.gz KEVMAAYXYOZEBM-KZNAEPCWSA-N 0 0 298.430 3.962 10 70 CHIERN Cc1nc(C)c(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)o1 ZINC000159657380 261190828 /nfs/dbraw/zinc/19/08/28/261190828.db2.gz FHMBIVFRKFGYFF-ZUZCIYMTSA-N 0 0 284.359 3.660 10 70 CHIERN O=C([C@H]1C[C@@H]1C1CCCCC1)N(Cc1cccnc1)C1CC1 ZINC000159773616 261194033 /nfs/dbraw/zinc/19/40/33/261194033.db2.gz BTKVLICUMCODEW-MSOLQXFVSA-N 0 0 298.430 3.789 10 70 CHIERN C[C@H](N[C@@H](Cc1ccccc1)C(F)(F)F)C1CC1 ZINC000160134268 261205766 /nfs/dbraw/zinc/20/57/66/261205766.db2.gz HVOGBTLHMUOZDP-GWCFXTLKSA-N 0 0 257.299 3.548 10 70 CHIERN C[C@H]1CC[C@@H](NC(=O)Cc2ccc(O)cc2)c2ccccc21 ZINC000159484630 327200854 /nfs/dbraw/zinc/20/08/54/327200854.db2.gz PCCGAZXMXPYAHR-SCLBCKFNSA-N 0 0 295.382 3.690 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)[C@@H](C)C2CC2)cc1 ZINC000159512896 327480198 /nfs/dbraw/zinc/48/01/98/327480198.db2.gz JAOZMDWEKRTQDK-KBPBESRZSA-N 0 0 289.419 3.945 10 70 CHIERN O=C(C1CCCCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160445082 330865637 /nfs/dbraw/zinc/86/56/37/330865637.db2.gz KPGCNYUIBNCOSL-AEFFLSMTSA-N 0 0 293.451 3.501 10 70 CHIERN Fc1ccc(CN2CCC(c3cc[nH]n3)CC2)c(Cl)c1 ZINC000160541630 526330830 /nfs/dbraw/zinc/33/08/30/526330830.db2.gz COIFOHHPFGONDU-UHFFFAOYSA-N 0 0 293.773 3.582 10 70 CHIERN O=C(c1cccs1)N1CC=C(c2ccccc2F)CC1 ZINC000159684334 526835629 /nfs/dbraw/zinc/83/56/29/526835629.db2.gz KKOXPWMYEWVYGD-UHFFFAOYSA-N 0 0 287.359 3.817 10 70 CHIERN CC(C)[C@H](O)CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000159774157 261194168 /nfs/dbraw/zinc/19/41/68/261194168.db2.gz JBHFUUWRJCGVNA-QGZVFWFLSA-N 0 0 298.386 3.776 10 70 CHIERN C[C@H](N[C@H](Cc1ccccc1)C(F)(F)F)C1CC1 ZINC000160134543 261205572 /nfs/dbraw/zinc/20/55/72/261205572.db2.gz HVOGBTLHMUOZDP-GXFFZTMASA-N 0 0 257.299 3.548 10 70 CHIERN C[C@@H](N[C@H](Cc1ccccc1)C(F)(F)F)C1CC1 ZINC000160134670 261206116 /nfs/dbraw/zinc/20/61/16/261206116.db2.gz HVOGBTLHMUOZDP-ZWNOBZJWSA-N 0 0 257.299 3.548 10 70 CHIERN CSCCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159476428 327198410 /nfs/dbraw/zinc/19/84/10/327198410.db2.gz MFOGORNJUVBECF-CYBMUJFWSA-N 0 0 295.448 3.652 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@H](C)C2CC2)cc1 ZINC000159513024 327480816 /nfs/dbraw/zinc/48/08/16/327480816.db2.gz JAOZMDWEKRTQDK-ZIAGYGMSSA-N 0 0 289.419 3.945 10 70 CHIERN CCc1ncnc(N[C@H]2CCCc3ccccc32)c1F ZINC000217954451 333125395 /nfs/dbraw/zinc/12/53/95/333125395.db2.gz ZCLZNOGNFUMEGA-AWEZNQCLSA-N 0 0 271.339 3.668 10 70 CHIERN C[C@H]1CC[C@H](NC(=O)CCc2ccncc2)c2ccccc21 ZINC000159584937 261188753 /nfs/dbraw/zinc/18/87/53/261188753.db2.gz PEOGGRMTYQNZJU-KSSFIOAISA-N 0 0 294.398 3.769 10 70 CHIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H]1c1ccncc1 ZINC000159637150 261190407 /nfs/dbraw/zinc/19/04/07/261190407.db2.gz KEVMAAYXYOZEBM-KURKYZTESA-N 0 0 298.430 3.962 10 70 CHIERN O=C([C@@H]1C[C@H]1C1CCCCC1)N(Cc1cccnc1)C1CC1 ZINC000159773750 261194004 /nfs/dbraw/zinc/19/40/04/261194004.db2.gz BTKVLICUMCODEW-ZWKOTPCHSA-N 0 0 298.430 3.789 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccco2)cc1 ZINC000159470407 327197302 /nfs/dbraw/zinc/19/73/02/327197302.db2.gz BHZUVNLPSZAGLC-CYBMUJFWSA-N 0 0 287.359 3.805 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccco2)cc1 ZINC000159470553 327197349 /nfs/dbraw/zinc/19/73/49/327197349.db2.gz BHZUVNLPSZAGLC-ZDUSSCGKSA-N 0 0 287.359 3.805 10 70 CHIERN C[C@H]1CC[C@H](NC(=O)Cc2ccc(O)cc2)c2ccccc21 ZINC000159484363 327200417 /nfs/dbraw/zinc/20/04/17/327200417.db2.gz PCCGAZXMXPYAHR-UGSOOPFHSA-N 0 0 295.382 3.690 10 70 CHIERN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000159576868 327540336 /nfs/dbraw/zinc/54/03/36/327540336.db2.gz SOWPBFZRLQHVDB-TZMCWYRMSA-N 0 0 261.365 3.624 10 70 CHIERN Cc1ccccc1[C@H](CC(C)C)NC(=O)C[C@@H](O)C(C)C ZINC000159830411 327569131 /nfs/dbraw/zinc/56/91/31/327569131.db2.gz IUJSIJXYSHJVON-DLBZAZTESA-N 0 0 291.435 3.605 10 70 CHIERN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@H](O)C(C)C ZINC000159830017 327569206 /nfs/dbraw/zinc/56/92/06/327569206.db2.gz IUJSIJXYSHJVON-SJORKVTESA-N 0 0 291.435 3.605 10 70 CHIERN C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000159960919 261200255 /nfs/dbraw/zinc/20/02/55/261200255.db2.gz QKDSMZUWMVEAAT-CXAGYDPISA-N 0 0 283.371 3.586 10 70 CHIERN O=C([C@@H]1C[C@H]1C1CCCCC1)N(Cc1ccncc1)C1CC1 ZINC000161475354 261247819 /nfs/dbraw/zinc/24/78/19/261247819.db2.gz NXRDZRIBVPHLLV-ZWKOTPCHSA-N 0 0 298.430 3.789 10 70 CHIERN CC[C@@H](NC(=O)C[C@@H](C)C(C)C)c1c(C)noc1C ZINC000160652687 264254741 /nfs/dbraw/zinc/25/47/41/264254741.db2.gz KFEPBLBRRWUTHP-ZWNOBZJWSA-N 0 0 266.385 3.541 10 70 CHIERN CC[C@@H](NC(=O)C[C@H](C)C(C)C)c1c(C)noc1C ZINC000160652938 264254893 /nfs/dbraw/zinc/25/48/93/264254893.db2.gz KFEPBLBRRWUTHP-GXFFZTMASA-N 0 0 266.385 3.541 10 70 CHIERN CSCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159476565 327198311 /nfs/dbraw/zinc/19/83/11/327198311.db2.gz MFOGORNJUVBECF-ZDUSSCGKSA-N 0 0 295.448 3.652 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H](C)C2CC2)cc1 ZINC000159512784 327479868 /nfs/dbraw/zinc/47/98/68/327479868.db2.gz JAOZMDWEKRTQDK-UONOGXRCSA-N 0 0 289.419 3.945 10 70 CHIERN CSC[C@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159558143 525693634 /nfs/dbraw/zinc/69/36/34/525693634.db2.gz RXOGVHBOCMUHTD-QMMMGPOBSA-N 0 0 268.332 3.676 10 70 CHIERN CCCCSCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000159819811 261194988 /nfs/dbraw/zinc/19/49/88/261194988.db2.gz KPSRPEMNWXIOQU-LBPRGKRZSA-N 0 0 269.410 3.689 10 70 CHIERN COCCC1(CNc2ccnc3c(F)cc(F)cc23)CC1 ZINC000160021825 264223658 /nfs/dbraw/zinc/22/36/58/264223658.db2.gz ZDUJKICXAFPCIU-UHFFFAOYSA-N 0 0 292.329 3.742 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccncc2)cc1 ZINC000159663612 327553253 /nfs/dbraw/zinc/55/32/53/327553253.db2.gz QXHNCIBVANYCHE-CQSZACIVSA-N 0 0 298.386 3.607 10 70 CHIERN O=S(=O)(Cl)c1ccc(Cl)c(CCl)c1Cl ZINC000059143789 567217638 /nfs/dbraw/zinc/21/76/38/567217638.db2.gz KYNYSXQKWMXPBY-UHFFFAOYSA-N 0 0 293.986 3.660 10 70 CHIERN CCC1CCC(NC(=O)c2cccc(C)c2F)CC1 ZINC000161440085 260973276 /nfs/dbraw/zinc/97/32/76/260973276.db2.gz YNGNDTVKZYZSRI-UHFFFAOYSA-N 0 0 263.356 3.833 10 70 CHIERN CC(C)(C)c1nsc(N[C@H](c2nccs2)C2CC2)n1 ZINC000159656982 261190959 /nfs/dbraw/zinc/19/09/59/261190959.db2.gz PBYQLDWNCJQEOE-VIFPVBQESA-N 0 0 294.449 3.855 10 70 CHIERN C[C@@H]1CC[C@H](NC(=O)Cc2ccc(O)cc2)c2ccccc21 ZINC000159484226 327200457 /nfs/dbraw/zinc/20/04/57/327200457.db2.gz PCCGAZXMXPYAHR-ACJLOTCBSA-N 0 0 295.382 3.690 10 70 CHIERN CCC[C@@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000159764867 327519176 /nfs/dbraw/zinc/51/91/76/327519176.db2.gz RHPYGJORHWCLRY-NSHDSACASA-N 0 0 294.345 3.724 10 70 CHIERN C[C@@H]1CC[C@H](NC(=O)Nc2cccnc2)c2ccccc21 ZINC000160812453 328087406 /nfs/dbraw/zinc/08/74/06/328087406.db2.gz YSMBIUGUVPHCQN-WBMJQRKESA-N 0 0 281.359 3.842 10 70 CHIERN O=C(C1CCCCCCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160445204 526301596 /nfs/dbraw/zinc/30/15/96/526301596.db2.gz KPGCNYUIBNCOSL-FUHWJXTLSA-N 0 0 293.451 3.501 10 70 CHIERN CC[C@H](NC(=O)C[C@H](C)C(C)C)c1c(C)noc1C ZINC000160652801 264254212 /nfs/dbraw/zinc/25/42/12/264254212.db2.gz KFEPBLBRRWUTHP-GWCFXTLKSA-N 0 0 266.385 3.541 10 70 CHIERN C[C@H]1C[C@@H]1NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000160492689 327615949 /nfs/dbraw/zinc/61/59/49/327615949.db2.gz ODTZIQBZRUUOCN-ZBEGNZNMSA-N 0 0 279.339 3.653 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)C(C)C)cc1 ZINC000159858219 261196066 /nfs/dbraw/zinc/19/60/66/261196066.db2.gz QTWUSYXHKOELJA-ZDUSSCGKSA-N 0 0 263.381 3.555 10 70 CHIERN C[C@@H](c1cccc(Cl)c1Cl)S(=O)(=O)Cl ZINC000235249819 567881718 /nfs/dbraw/zinc/88/17/18/567881718.db2.gz PUSIZVUZHQMOCJ-YFKPBYRVSA-N 0 0 273.568 3.623 10 70 CHIERN Fc1cc(F)c2nccc(NCc3ncccc3F)c2c1 ZINC000160067041 264223757 /nfs/dbraw/zinc/22/37/57/264223757.db2.gz GKYZTARRMFMOHU-UHFFFAOYSA-N 0 0 289.260 3.659 10 70 CHIERN O=C(NCC1(C2CC2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160101379 327594649 /nfs/dbraw/zinc/59/46/49/327594649.db2.gz HNPLODRSPMWGFD-GJZGRUSLSA-N 0 0 261.409 3.509 10 70 CHIERN Cc1ccccc1[C@H](C)NC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000161350393 329930550 /nfs/dbraw/zinc/93/05/50/329930550.db2.gz QQIYYVBNAREINA-IHRRRGAJSA-N 0 0 260.381 3.638 10 70 CHIERN Cc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1F ZINC000161392236 524211941 /nfs/dbraw/zinc/21/19/41/524211941.db2.gz OFMWQPFSAIBNKK-INIZCTEOSA-N 0 0 283.346 3.942 10 70 CHIERN O=C([C@H]1CC=CCC1)N1CC=C(c2ccccc2F)CC1 ZINC000159543879 526530982 /nfs/dbraw/zinc/53/09/82/526530982.db2.gz ZKFUZFFOZJLTIY-HNNXBMFYSA-N 0 0 285.362 3.798 10 70 CHIERN CC(C)[C@@H](O)CC(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000159774289 261194180 /nfs/dbraw/zinc/19/41/80/261194180.db2.gz JBHFUUWRJCGVNA-KRWDZBQOSA-N 0 0 298.386 3.776 10 70 CHIERN CS[C@@H](C)CC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000160989741 261233437 /nfs/dbraw/zinc/23/34/37/261233437.db2.gz VWXDXZGOLVNYFT-IUCAKERBSA-N 0 0 289.803 3.798 10 70 CHIERN C[C@H]1C[C@H]1NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000160492958 327615956 /nfs/dbraw/zinc/61/59/56/327615956.db2.gz ODTZIQBZRUUOCN-MEDUHNTESA-N 0 0 279.339 3.653 10 70 CHIERN CC(C)[C@@H](O)CC(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000160222383 327602639 /nfs/dbraw/zinc/60/26/39/327602639.db2.gz DKHBYANXZGRYSE-HOCLYGCPSA-N 0 0 297.826 3.560 10 70 CHIERN Cc1ccc([C@@H](C)NC(=O)c2cc(F)cc3cccnc32)o1 ZINC000160392210 327607492 /nfs/dbraw/zinc/60/74/92/327607492.db2.gz CYUSAZCJZOYIGL-LLVKDONJSA-N 0 0 298.317 3.766 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)C(C)C)cc1 ZINC000159858075 261195953 /nfs/dbraw/zinc/19/59/53/261195953.db2.gz QTWUSYXHKOELJA-CYBMUJFWSA-N 0 0 263.381 3.555 10 70 CHIERN CS[C@H](C)CC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000160989858 261233348 /nfs/dbraw/zinc/23/33/48/261233348.db2.gz VWXDXZGOLVNYFT-BDAKNGLRSA-N 0 0 289.803 3.798 10 70 CHIERN CS[C@H](C)CC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000160990084 261233678 /nfs/dbraw/zinc/23/36/78/261233678.db2.gz VWXDXZGOLVNYFT-RKDXNWHRSA-N 0 0 289.803 3.798 10 70 CHIERN C[C@H](CCn1cccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000159390746 327176702 /nfs/dbraw/zinc/17/67/02/327176702.db2.gz DJSPTVBSIFCCFD-LLVKDONJSA-N 0 0 283.297 3.793 10 70 CHIERN CCS[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000218050144 333126039 /nfs/dbraw/zinc/12/60/39/333126039.db2.gz WORMMEJUFKEVAP-DTWKUNHWSA-N 0 0 291.342 3.582 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)c2cc[nH]c2)cc1 ZINC000159503703 261187420 /nfs/dbraw/zinc/18/74/20/261187420.db2.gz OOHNMNUTYIISKL-ZDUSSCGKSA-N 0 0 286.375 3.541 10 70 CHIERN O=C([C@H]1C[C@H]1C1CCCCC1)N(Cc1cccnc1)C1CC1 ZINC000159773884 261194062 /nfs/dbraw/zinc/19/40/62/261194062.db2.gz BTKVLICUMCODEW-ROUUACIJSA-N 0 0 298.430 3.789 10 70 CHIERN CCS[C@H]1CC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000218050069 333125940 /nfs/dbraw/zinc/12/59/40/333125940.db2.gz WORMMEJUFKEVAP-BDAKNGLRSA-N 0 0 291.342 3.582 10 70 CHIERN C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000159960652 261200370 /nfs/dbraw/zinc/20/03/70/261200370.db2.gz QKDSMZUWMVEAAT-DYVFJYSZSA-N 0 0 283.371 3.586 10 70 CHIERN CCCn1nc(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1C ZINC000161426921 261246631 /nfs/dbraw/zinc/24/66/31/261246631.db2.gz QIGVRSYVGNFZHY-ZDUSSCGKSA-N 0 0 299.418 3.709 10 70 CHIERN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000159576622 327540230 /nfs/dbraw/zinc/54/02/30/327540230.db2.gz SOWPBFZRLQHVDB-GXTWGEPZSA-N 0 0 261.365 3.624 10 70 CHIERN CS[C@@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159628335 327547206 /nfs/dbraw/zinc/54/72/06/327547206.db2.gz NNOAAMQGLPFDSE-OLZOCXBDSA-N 0 0 295.448 3.650 10 70 CHIERN Cc1ccc([C@H](C)NC(=O)c2cc(F)cc3cccnc32)o1 ZINC000160392335 327607480 /nfs/dbraw/zinc/60/74/80/327607480.db2.gz CYUSAZCJZOYIGL-NSHDSACASA-N 0 0 298.317 3.766 10 70 CHIERN O=C(Nc1ccccn1)N1CC=C(c2ccccc2F)CC1 ZINC000161150739 527436623 /nfs/dbraw/zinc/43/66/23/527436623.db2.gz CBRDNCHYHQYFPS-UHFFFAOYSA-N 0 0 297.333 3.542 10 70 CHIERN CCCCSCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000159819920 261194990 /nfs/dbraw/zinc/19/49/90/261194990.db2.gz KPSRPEMNWXIOQU-GFCCVEGCSA-N 0 0 269.410 3.689 10 70 CHIERN CC[C@@H](C(=O)N[C@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000159526413 327531497 /nfs/dbraw/zinc/53/14/97/327531497.db2.gz WXVLAFCQKGPQCO-ZBFHGGJFSA-N 0 0 299.345 3.569 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)C2CCC2)cc1 ZINC000159608836 327546241 /nfs/dbraw/zinc/54/62/41/327546241.db2.gz HVBIIZQATMTVAE-CYBMUJFWSA-N 0 0 275.392 3.699 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)c2cccnc2)cc1 ZINC000159839270 327570359 /nfs/dbraw/zinc/57/03/59/327570359.db2.gz LZIGSKTXSHISOL-AWEZNQCLSA-N 0 0 298.386 3.607 10 70 CHIERN Fc1cc(F)c2nccc(NCCc3cscn3)c2c1 ZINC000159552243 526306028 /nfs/dbraw/zinc/30/60/28/526306028.db2.gz SSAQSPMLHLZYIA-UHFFFAOYSA-N 0 0 291.326 3.624 10 70 CHIERN Cc1n[nH]cc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000160722489 526546369 /nfs/dbraw/zinc/54/63/69/526546369.db2.gz HTIUOWQTMVNXNO-CQSZACIVSA-N 0 0 298.415 3.665 10 70 CHIERN CS[C@@H](C)CC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000160989968 261233380 /nfs/dbraw/zinc/23/33/80/261233380.db2.gz VWXDXZGOLVNYFT-DTWKUNHWSA-N 0 0 289.803 3.798 10 70 CHIERN C[C@@H]1C[C@@H]1NC(=O)Cc1cc2c(ccc3ccccc23)o1 ZINC000160492550 327615975 /nfs/dbraw/zinc/61/59/75/327615975.db2.gz ODTZIQBZRUUOCN-BZNIZROVSA-N 0 0 279.339 3.653 10 70 CHIERN CCC[C@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159590307 520993541 /nfs/dbraw/zinc/99/35/41/520993541.db2.gz SLODLRMOBZGDPO-ZDUSSCGKSA-N 0 0 275.367 3.878 10 70 CHIERN C[C@H](NC(=O)[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000159960501 261200053 /nfs/dbraw/zinc/20/00/53/261200053.db2.gz QKDSMZUWMVEAAT-GUYCJALGSA-N 0 0 283.371 3.586 10 70 CHIERN CCC1CCC(NC(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000159452434 327195898 /nfs/dbraw/zinc/19/58/98/327195898.db2.gz AKYBREHXAILXES-UHFFFAOYSA-N 0 0 291.439 3.546 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)C(C)(C)C)cc1 ZINC000159573396 327539752 /nfs/dbraw/zinc/53/97/52/327539752.db2.gz QCHGPTWEPRWVCJ-ZDUSSCGKSA-N 0 0 277.408 3.945 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccncc2)cc1 ZINC000159663720 327553239 /nfs/dbraw/zinc/55/32/39/327553239.db2.gz QXHNCIBVANYCHE-AWEZNQCLSA-N 0 0 298.386 3.607 10 70 CHIERN C[C@H]1C[C@H]1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000161283319 329923968 /nfs/dbraw/zinc/92/39/68/329923968.db2.gz IONFHWKCRCDSCM-FXUDXRNXSA-N 0 0 281.440 3.667 10 70 CHIERN CCS[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000218050220 328172877 /nfs/dbraw/zinc/17/28/77/328172877.db2.gz WORMMEJUFKEVAP-IUCAKERBSA-N 0 0 291.342 3.582 10 70 CHIERN CC(C)c1ccccc1N[C@@H](C)CCn1cccn1 ZINC000159389766 327176867 /nfs/dbraw/zinc/17/68/67/327176867.db2.gz HUKDIBYAPJZXRR-AWEZNQCLSA-N 0 0 257.381 3.897 10 70 CHIERN CC[C@H](C(=O)N[C@H]1COc2ccccc21)c1ccc(F)cc1 ZINC000159526313 327531604 /nfs/dbraw/zinc/53/16/04/327531604.db2.gz WXVLAFCQKGPQCO-HOCLYGCPSA-N 0 0 299.345 3.569 10 70 CHIERN CC[C@H](SC)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159718712 260926277 /nfs/dbraw/zinc/92/62/77/260926277.db2.gz RKWKOUFXJIJJTB-HNNXBMFYSA-N 0 0 293.407 3.583 10 70 CHIERN CN(Cc1nccs1)c1ccnc2c(F)cc(F)cc12 ZINC000159795631 260928262 /nfs/dbraw/zinc/92/82/62/260928262.db2.gz YJDPWRNFSBHJKG-UHFFFAOYSA-N 0 0 291.326 3.606 10 70 CHIERN CCC1CCC(Nc2nnc(C(F)(F)F)s2)CC1 ZINC000160160125 260947462 /nfs/dbraw/zinc/94/74/62/260947462.db2.gz FPKBFPPNJLWZNC-UHFFFAOYSA-N 0 0 279.331 3.938 10 70 CHIERN CC(C)=C(F)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160126447 260946591 /nfs/dbraw/zinc/94/65/91/260946591.db2.gz HEALYOBSYXKVBO-SNVBAGLBSA-N 0 0 253.342 3.505 10 70 CHIERN Cc1nc(C)c(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000159657801 261190846 /nfs/dbraw/zinc/19/08/46/261190846.db2.gz FHMBIVFRKFGYFF-BMIGLBTASA-N 0 0 284.359 3.660 10 70 CHIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N(Cc1ccncc1)C1CC1 ZINC000161475104 261247471 /nfs/dbraw/zinc/24/74/71/261247471.db2.gz NXRDZRIBVPHLLV-QZTJIDSGSA-N 0 0 298.430 3.789 10 70 CHIERN CC(C)c1ccccc1N[C@H](C)CCn1cccn1 ZINC000159389897 327176750 /nfs/dbraw/zinc/17/67/50/327176750.db2.gz HUKDIBYAPJZXRR-CQSZACIVSA-N 0 0 257.381 3.897 10 70 CHIERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccc[nH]2)cc1 ZINC000159684967 327554447 /nfs/dbraw/zinc/55/44/47/327554447.db2.gz KLJNHINAUPARSL-ZDUSSCGKSA-N 0 0 286.375 3.541 10 70 CHIERN Cc1ccccc1[C@H](C)NC(=O)N1[C@H](C)CC[C@@H]1C ZINC000161350149 329930451 /nfs/dbraw/zinc/93/04/51/329930451.db2.gz QQIYYVBNAREINA-MJBXVCDLSA-N 0 0 260.381 3.638 10 70 CHIERN CCn1nc(C)c([C@H](C)Nc2ccc(F)c(OC)c2)c1C ZINC000160101647 330858964 /nfs/dbraw/zinc/85/89/64/330858964.db2.gz YELRHPVZLBZXFS-JTQLQIEISA-N 0 0 291.370 3.841 10 70 CHIERN Cc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)o1 ZINC000159657658 261190800 /nfs/dbraw/zinc/19/08/00/261190800.db2.gz FHMBIVFRKFGYFF-MEBBXXQBSA-N 0 0 284.359 3.660 10 70 CHIERN Fc1cccc(Cl)c1CN1CCC(c2cc[nH]n2)CC1 ZINC000160544640 526390045 /nfs/dbraw/zinc/39/00/45/526390045.db2.gz YEPVDWMMBQIGGN-UHFFFAOYSA-N 0 0 293.773 3.582 10 70 CHIERN CC(C)=C(F)C(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000160054532 260942497 /nfs/dbraw/zinc/94/24/97/260942497.db2.gz AMVASZINDCKHJY-QGZVFWFLSA-N 0 0 298.361 3.859 10 70 CHIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2cc[nH]c2)cc1 ZINC000159503568 261187347 /nfs/dbraw/zinc/18/73/47/261187347.db2.gz OOHNMNUTYIISKL-CYBMUJFWSA-N 0 0 286.375 3.541 10 70 CHIERN C[C@H](NC(=O)[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000159960796 261200178 /nfs/dbraw/zinc/20/01/78/261200178.db2.gz QKDSMZUWMVEAAT-SUMWQHHRSA-N 0 0 283.371 3.586 10 70 CHIERN C[C@@H]1CC[C@@H](NC(=O)Nc2cccnc2)c2ccccc21 ZINC000160812710 328087418 /nfs/dbraw/zinc/08/74/18/328087418.db2.gz YSMBIUGUVPHCQN-MLGOLLRUSA-N 0 0 281.359 3.842 10 70 CHIERN O=C(Nc1ccncc1)N1CC=C(c2ccccc2F)CC1 ZINC000161158377 527455580 /nfs/dbraw/zinc/45/55/80/527455580.db2.gz YXDMFVOUNPCEMO-UHFFFAOYSA-N 0 0 297.333 3.542 10 70 CHIERN O=C(C[C@@H]1C=CCC1)N1CC=C(c2ccccc2F)CC1 ZINC000159723877 260926223 /nfs/dbraw/zinc/92/62/23/260926223.db2.gz IEBREXPBADQVSS-CQSZACIVSA-N 0 0 285.362 3.798 10 70 CHIERN C[C@@H]1CC[C@H](NC(=O)CCc2ccncc2)c2ccccc21 ZINC000159584850 261188779 /nfs/dbraw/zinc/18/87/79/261188779.db2.gz PEOGGRMTYQNZJU-KDOFPFPSSA-N 0 0 294.398 3.769 10 70 CHIERN O=C(c1ccsc1)N1CC=C(c2ccccc2F)CC1 ZINC000159669193 261190808 /nfs/dbraw/zinc/19/08/08/261190808.db2.gz RBIKRXHZTDBDIV-UHFFFAOYSA-N 0 0 287.359 3.817 10 70 CHIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N(Cc1cccnc1)C1CC1 ZINC000159773478 261193981 /nfs/dbraw/zinc/19/39/81/261193981.db2.gz BTKVLICUMCODEW-QZTJIDSGSA-N 0 0 298.430 3.789 10 70 CHIERN O=C([C@H]1C[C@H]1C1CCCCC1)N(Cc1ccncc1)C1CC1 ZINC000161475491 261247824 /nfs/dbraw/zinc/24/78/24/261247824.db2.gz NXRDZRIBVPHLLV-ROUUACIJSA-N 0 0 298.430 3.789 10 70 CHIERN O=C(C1CCCCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160444944 330865688 /nfs/dbraw/zinc/86/56/88/330865688.db2.gz KPGCNYUIBNCOSL-SJLPKXTDSA-N 0 0 293.451 3.501 10 70 CHIERN Cc1occc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159559231 526802433 /nfs/dbraw/zinc/80/24/33/526802433.db2.gz ISWIZUUCCTUFIK-UHFFFAOYSA-N 0 0 285.318 3.657 10 70 CHIERN Cc1ccoc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159685910 525777901 /nfs/dbraw/zinc/77/79/01/525777901.db2.gz YIFKULICYILESN-UHFFFAOYSA-N 0 0 285.318 3.657 10 70 CHIERN C[C@H](c1cccc(Cl)c1Cl)S(=O)(=O)Cl ZINC000235553198 567886199 /nfs/dbraw/zinc/88/61/99/567886199.db2.gz PUSIZVUZHQMOCJ-RXMQYKEDSA-N 0 0 273.568 3.623 10 70 CHIERN C[C@@H]1CC[C@@H](NC(=O)CCc2ccncc2)c2ccccc21 ZINC000159585033 261188996 /nfs/dbraw/zinc/18/89/96/261188996.db2.gz PEOGGRMTYQNZJU-RDTXWAMCSA-N 0 0 294.398 3.769 10 70 CHIERN C[C@@H](N[C@@H](Cc1ccccc1)C(F)(F)F)C1CC1 ZINC000160134413 261205865 /nfs/dbraw/zinc/20/58/65/261205865.db2.gz HVOGBTLHMUOZDP-MFKMUULPSA-N 0 0 257.299 3.548 10 70 CHIERN C[C@@H](CCn1cccn1)Nc1ccc(C(F)(F)F)cc1 ZINC000159390646 327176713 /nfs/dbraw/zinc/17/67/13/327176713.db2.gz DJSPTVBSIFCCFD-NSHDSACASA-N 0 0 283.297 3.793 10 70 CHIERN Cc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@@H](O)C(C)C ZINC000159830287 327569193 /nfs/dbraw/zinc/56/91/93/327569193.db2.gz IUJSIJXYSHJVON-IAGOWNOFSA-N 0 0 291.435 3.605 10 70 CHIERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000160222275 327602574 /nfs/dbraw/zinc/60/25/74/327602574.db2.gz DKHBYANXZGRYSE-ZBFHGGJFSA-N 0 0 297.826 3.560 10 70 CHIERN O=C(Nc1cccnc1)N1CC=C(c2ccccc2F)CC1 ZINC000161149264 527441104 /nfs/dbraw/zinc/44/11/04/527441104.db2.gz HMAUBRUHRNFKTL-UHFFFAOYSA-N 0 0 297.333 3.542 10 70 CHIERN CS[C@H](C)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159740156 260926580 /nfs/dbraw/zinc/92/65/80/260926580.db2.gz FRHPFTYSCHTFGC-GFCCVEGCSA-N 0 0 293.407 3.583 10 70 CHIERN C[C@H]1CC[C@H](NC(=O)Nc2cccnc2)c2ccccc21 ZINC000160812592 328087414 /nfs/dbraw/zinc/08/74/14/328087414.db2.gz YSMBIUGUVPHCQN-LRDDRELGSA-N 0 0 281.359 3.842 10 70 CHIERN CCS[C@@H]1CC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000218049989 333126015 /nfs/dbraw/zinc/12/60/15/333126015.db2.gz WORMMEJUFKEVAP-RKDXNWHRSA-N 0 0 291.342 3.582 10 70 CHIERN O=C(C1CCCCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160445282 526301218 /nfs/dbraw/zinc/30/12/18/526301218.db2.gz KPGCNYUIBNCOSL-WMZOPIPTSA-N 0 0 293.451 3.501 10 70 CHIERN Fc1cc(Cl)cc(CN[C@@H]2COc3ccccc32)c1 ZINC000160941537 260174188 /nfs/dbraw/zinc/17/41/88/260174188.db2.gz GOAZXRGOBQXAOI-CQSZACIVSA-N 0 0 277.726 3.702 10 70 CHIERN C[C@H]1CC[C@@H](NC(=O)CCc2ccncc2)c2ccccc21 ZINC000159585138 261188793 /nfs/dbraw/zinc/18/87/93/261188793.db2.gz PEOGGRMTYQNZJU-KBXCAEBGSA-N 0 0 294.398 3.769 10 70 CHIERN