smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN(C)C1CCCCC1 ZINC000002258552 204030127 /nfs/dbraw/zinc/03/01/27/204030127.db2.gz BZOKKIDZLOABMB-UHFFFAOYSA-N 0 3 373.453 3.166 50 0 FGAAHN CCC(=O)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000003290746 204088124 /nfs/dbraw/zinc/08/81/24/204088124.db2.gz UQRPBNHGHRTEGI-IBGZPJMESA-N 0 3 354.450 3.077 50 0 FGAAHN O=C(c1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004700619 204156969 /nfs/dbraw/zinc/15/69/69/204156969.db2.gz WOSSYFHXDGEEOT-UHFFFAOYSA-N 0 3 363.505 3.109 50 0 FGAAHN O=C1C[C@@H](NC2CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000004794906 204163702 /nfs/dbraw/zinc/16/37/02/204163702.db2.gz ULWFSIFMPIIIRM-CQSZACIVSA-N 0 3 351.244 3.003 50 0 FGAAHN COc1ccc(OC[C@H](O)CN2CCC(c3ccccc3OC)CC2)cc1 ZINC000004276666 204130162 /nfs/dbraw/zinc/13/01/62/204130162.db2.gz AYVJLCPSUQEMNS-GOSISDBHSA-N 0 3 371.477 3.323 50 0 FGAAHN CC(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000006943568 204283434 /nfs/dbraw/zinc/28/34/34/204283434.db2.gz UZQYJQSJAXLUOE-UHFFFAOYSA-N 0 3 351.299 3.145 50 0 FGAAHN CCOC(=O)Nc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000007065766 204288123 /nfs/dbraw/zinc/28/81/23/204288123.db2.gz IYGFPOOVIXLRJS-UHFFFAOYSA-N 0 3 355.438 3.247 50 0 FGAAHN C[C@H]1Sc2ccc(C(=O)NCc3ccccc3CN(C)C)cc2NC1=O ZINC000009916972 204386743 /nfs/dbraw/zinc/38/67/43/204386743.db2.gz QAJICAFQUJIPIN-CYBMUJFWSA-N 0 3 369.490 3.111 50 0 FGAAHN COc1cc(CNCCOCCO)ccc1OCc1ccccc1Cl ZINC000010435648 204396317 /nfs/dbraw/zinc/39/63/17/204396317.db2.gz CXOKEYZYNKUBSY-UHFFFAOYSA-N 0 3 365.857 3.026 50 0 FGAAHN CN(C)[C@H](CNCC(=O)N[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000022029763 204768852 /nfs/dbraw/zinc/76/88/52/204768852.db2.gz UPTWOBLBFUQCEV-LEWJYISDSA-N 0 3 351.494 3.073 50 0 FGAAHN COc1ccc(CN(C[C@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000036095261 205004074 /nfs/dbraw/zinc/00/40/74/205004074.db2.gz NDXFWIOMTIWYRB-SIKLNZKXSA-N 0 3 371.477 3.116 50 0 FGAAHN COCCCN(Cc1ccc(C)cc1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036094991 205004120 /nfs/dbraw/zinc/00/41/20/205004120.db2.gz PVDVDFGDEVWQQZ-HXUWFJFHSA-N 0 3 373.493 3.282 50 0 FGAAHN COCCCN(Cc1ccc(C)s1)C[C@@H](O)COCc1ccccc1 ZINC000036101404 205004839 /nfs/dbraw/zinc/00/48/39/205004839.db2.gz CUFOXEKUTWHQBJ-LJQANCHMSA-N 0 3 363.523 3.473 50 0 FGAAHN C[C@@H](CNC(=O)COc1ccc(Br)cc1)N1CCC[C@@H](C)C1 ZINC000040108049 205056157 /nfs/dbraw/zinc/05/61/57/205056157.db2.gz SHYMZGNHXZAJOK-KGLIPLIRSA-N 0 3 369.303 3.065 50 0 FGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(-c2cccnc2)on1 ZINC000040132671 205058842 /nfs/dbraw/zinc/05/88/42/205058842.db2.gz COIGIAOXXMBZFM-UHFFFAOYSA-N 0 3 362.433 3.131 50 0 FGAAHN Clc1cccc(COc2cccc(CNCCN3CCOCC3)c2)c1 ZINC000040720811 205076609 /nfs/dbraw/zinc/07/66/09/205076609.db2.gz KMLLPYSUQGSRRL-UHFFFAOYSA-N 0 3 360.885 3.341 50 0 FGAAHN COc1c(Br)cc(Br)cc1CNCCCCO ZINC000040720911 205076824 /nfs/dbraw/zinc/07/68/24/205076824.db2.gz KSVYDOYJCKAQLP-UHFFFAOYSA-N 0 3 367.081 3.082 50 0 FGAAHN CCOc1ccc2ccccc2c1C(=O)NC1CCN(CCOC)CC1 ZINC000085467947 205170898 /nfs/dbraw/zinc/17/08/98/205170898.db2.gz VYKOCPXHCXPSDQ-UHFFFAOYSA-N 0 3 356.466 3.079 50 0 FGAAHN CN(C(=O)CNCCOc1ccccc1F)[C@H]1CCCc2ccccc21 ZINC000049580919 205175047 /nfs/dbraw/zinc/17/50/47/205175047.db2.gz RBESRZDJQXOSKC-IBGZPJMESA-N 0 3 356.441 3.330 50 0 FGAAHN Cc1noc2ncc(C(=O)N[C@H]3CCN([C@@H](C)c4ccccc4)C3)cc12 ZINC000054224006 205199042 /nfs/dbraw/zinc/19/90/42/205199042.db2.gz IULXBYZPXGHHLG-YOEHRIQHSA-N 0 3 350.422 3.097 50 0 FGAAHN Cc1ccc(OC[C@@H](O)CNCc2c[nH]nc2-c2ccc(F)cc2)c(C)c1 ZINC000055108463 205206167 /nfs/dbraw/zinc/20/61/67/205206167.db2.gz VTRHUKUIDBOWAT-IBGZPJMESA-N 0 3 369.440 3.362 50 0 FGAAHN CC(C)Oc1ccccc1CN1CCC(C(=O)Nc2cnccn2)CC1 ZINC000055904628 205226362 /nfs/dbraw/zinc/22/63/62/205226362.db2.gz LNAXBZPQOZGOBB-UHFFFAOYSA-N 0 3 354.454 3.115 50 0 FGAAHN C[C@H](CNC(=O)N[C@H]1CCOc2c(Cl)cccc21)N1CCCCC1 ZINC000056806447 205232874 /nfs/dbraw/zinc/23/28/74/205232874.db2.gz TXGWBZTXZADJQV-CJNGLKHVSA-N 0 3 351.878 3.337 50 0 FGAAHN O=C(c1cnc2ccccc2n1)N1CCCN(CC2CCCCC2)CC1 ZINC000058055514 205249591 /nfs/dbraw/zinc/24/95/91/205249591.db2.gz GMZHDXNZVFLPEJ-UHFFFAOYSA-N 0 3 352.482 3.358 50 0 FGAAHN CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000058015347 205247011 /nfs/dbraw/zinc/24/70/11/205247011.db2.gz SKVOZUUSZBBOFJ-WOJBJXKFSA-N 0 3 372.509 3.028 50 0 FGAAHN Clc1ccc(-c2noc(CN3CCN(c4ccncc4)CC3)n2)cc1 ZINC000064045034 205297467 /nfs/dbraw/zinc/29/74/67/205297467.db2.gz SYIXRAYAUSEKGB-UHFFFAOYSA-N 0 3 355.829 3.107 50 0 FGAAHN Oc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)cc1 ZINC000065425608 205349784 /nfs/dbraw/zinc/34/97/84/205349784.db2.gz NGJDPJNYEULXAN-UHFFFAOYSA-N 0 3 363.461 3.379 50 0 FGAAHN C[C@@H](Cc1ccccn1)N(C)Cc1cccc(C(=O)Nc2cnccn2)c1 ZINC000065435932 205349837 /nfs/dbraw/zinc/34/98/37/205349837.db2.gz JBIMVHBPAHQBKA-INIZCTEOSA-N 0 3 361.449 3.187 50 0 FGAAHN Cc1cc([C@H]2CCCN2Cc2cnn(CCN3CCCCC3)c2C)on1 ZINC000065374587 205341771 /nfs/dbraw/zinc/34/17/71/205341771.db2.gz SGGBSLWMXVBLDW-LJQANCHMSA-N 0 3 357.502 3.311 50 0 FGAAHN COC(=O)Cc1cc(C2CCN(Cc3ccnc4ccccc34)CC2)n[nH]1 ZINC000067490644 205372799 /nfs/dbraw/zinc/37/27/99/205372799.db2.gz PHFXQCHHPVNVBG-UHFFFAOYSA-N 0 3 364.449 3.053 50 0 FGAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c(C)c1 ZINC000067629971 205377616 /nfs/dbraw/zinc/37/76/16/205377616.db2.gz ONYOCULKMSJBCJ-UHFFFAOYSA-N 0 3 368.485 3.236 50 0 FGAAHN O[C@@H]1CN(Cc2cccc3cccnc32)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067726428 205388210 /nfs/dbraw/zinc/38/82/10/205388210.db2.gz VCPIGJOEGRQOOM-RBUKOAKNSA-N 0 3 362.429 3.314 50 0 FGAAHN Cc1cccc2[nH]c(C3CC[NH+](Cc4c(CO)cnc(C)c4[O-])CC3)nc21 ZINC000067743811 205389134 /nfs/dbraw/zinc/38/91/34/205389134.db2.gz VKGVIZMWTYEUBB-UHFFFAOYSA-N 0 3 366.465 3.152 50 0 FGAAHN Cc1cccc2nc(C3CC[NH+](Cc4c(CO)cnc(C)c4[O-])CC3)[nH]c21 ZINC000067743811 205389140 /nfs/dbraw/zinc/38/91/40/205389140.db2.gz VKGVIZMWTYEUBB-UHFFFAOYSA-N 0 3 366.465 3.152 50 0 FGAAHN CC[C@@H]1CN(C(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CCN1 ZINC000067773754 205391410 /nfs/dbraw/zinc/39/14/10/205391410.db2.gz DNEWUGLAEYOTCP-CQSZACIVSA-N 0 3 358.442 3.026 50 0 FGAAHN C[C@H](CNc1nc(-c2ccccc2)nc2c1CCNC2)Oc1cccnc1 ZINC000067818501 205394999 /nfs/dbraw/zinc/39/49/99/205394999.db2.gz HFEMLRNMPNXNTI-OAHLLOKOSA-N 0 3 361.449 3.064 50 0 FGAAHN Cc1ncc(CN2CCC3(CC2)CCN(C(=O)OCC(C)C)CC3)n1C ZINC000072132022 205474845 /nfs/dbraw/zinc/47/48/45/205474845.db2.gz DQSLWGBOUBAZIA-UHFFFAOYSA-N 0 3 362.518 3.199 50 0 FGAAHN CN1C(=O)[C@H](c2ccccc2)CC12CCN(C(=O)c1ccccc1F)CC2 ZINC000095391490 205752523 /nfs/dbraw/zinc/75/25/23/205752523.db2.gz XDTAAUMAWOAOAG-SFHVURJKSA-N 0 3 366.436 3.446 50 0 FGAAHN Cc1noc2ncc(C(=O)NC3CCN([C@@H](C)c4ccccc4)CC3)cc12 ZINC000116065042 206098029 /nfs/dbraw/zinc/09/80/29/206098029.db2.gz CZROQWXWXRZLEL-HNNXBMFYSA-N 0 3 364.449 3.487 50 0 FGAAHN CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(C)(C)NC2(C)C ZINC000004275297 206175162 /nfs/dbraw/zinc/17/51/62/206175162.db2.gz BTBUDHGMKCWKAM-UHFFFAOYSA-N 0 3 350.484 3.433 50 0 FGAAHN Cc1cc(C)c(C)c(S(=O)(=O)NC2CCN(CC3CC3)CC2)c1C ZINC000193909688 206329590 /nfs/dbraw/zinc/32/95/90/206329590.db2.gz JADPADDTZDLHNX-UHFFFAOYSA-N 0 3 350.528 3.073 50 0 FGAAHN COc1ccc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)cc1O ZINC000020855151 206334571 /nfs/dbraw/zinc/33/45/71/206334571.db2.gz LKFSQFJXMTVQQI-FQEVSTJZSA-N 0 3 352.478 3.424 50 0 FGAAHN CC(C)Cc1cc(C(=O)NCCN2CCC(c3ccccc3)CC2)n(C)n1 ZINC000214958482 206343043 /nfs/dbraw/zinc/34/30/43/206343043.db2.gz AGJQRBKAJGJZAN-UHFFFAOYSA-N 0 3 368.525 3.228 50 0 FGAAHN Cc1c2cccc(F)c2[nH]c1C(=O)N1CCC(N2CCSCC2)CC1 ZINC000215726065 206350030 /nfs/dbraw/zinc/35/00/30/206350030.db2.gz CRXYIBKHGUOQSU-UHFFFAOYSA-N 0 3 361.486 3.269 50 0 FGAAHN Cn1cnnc1Sc1ccc(CN2CCCC[C@H]2CCn2ccnc2)o1 ZINC000215845613 206351696 /nfs/dbraw/zinc/35/16/96/206351696.db2.gz WOKPUXCWINROIM-HNNXBMFYSA-N 0 3 372.498 3.201 50 0 FGAAHN COc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)c(OC)c1OC ZINC000022780295 206392786 /nfs/dbraw/zinc/39/27/86/206392786.db2.gz OHVZUHHJAHPVPS-SFHVURJKSA-N 0 3 356.466 3.077 50 0 FGAAHN Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccc4C)CC3)n[nH]2)s1 ZINC000082108937 132195500 /nfs/dbraw/zinc/19/55/00/132195500.db2.gz XBZSVANCCYTKTC-UHFFFAOYSA-N 0 3 367.478 3.112 50 0 FGAAHN CC(C)CCN1CCN(C2CCN(c3ccccc3)CC2)C[C@H]1CCO ZINC000104443462 132238255 /nfs/dbraw/zinc/23/82/55/132238255.db2.gz UNJICCOHNROFRZ-JOCHJYFZSA-N 0 3 359.558 3.070 50 0 FGAAHN Fc1cc(Br)ccc1CNC1CCN(c2ncccn2)CC1 ZINC000237697792 132248508 /nfs/dbraw/zinc/24/85/08/132248508.db2.gz DKKWNFUJWKWNDZ-UHFFFAOYSA-N 0 3 365.250 3.137 50 0 FGAAHN C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1 ZINC000031094764 136117349 /nfs/dbraw/zinc/11/73/49/136117349.db2.gz MBHWUHJSWZPHCL-GOSISDBHSA-N 0 3 352.482 3.409 50 0 FGAAHN Cc1cc2nc(C)cc(N3CCN([C@H]4CCc5ccccc5C4)CC3)n2n1 ZINC000072421823 136146147 /nfs/dbraw/zinc/14/61/47/136146147.db2.gz AMLDPOJNFWWCID-FQEVSTJZSA-N 0 3 361.493 3.026 50 0 FGAAHN CCN1CCN(C2(CNC(=O)c3cccc(Cl)c3)CCCCC2)CC1 ZINC000028293547 493783877 /nfs/dbraw/zinc/78/38/77/493783877.db2.gz BOUGYTCQCSRLDS-UHFFFAOYSA-N 0 3 363.933 3.410 50 0 FGAAHN Cc1ccccc1CN1CCCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000030154281 493878028 /nfs/dbraw/zinc/87/80/28/493878028.db2.gz RFGNUQWOBAEWQB-UHFFFAOYSA-N 0 3 352.438 3.346 50 0 FGAAHN Cc1cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c2ccc(F)cc2n1 ZINC000082109473 493979244 /nfs/dbraw/zinc/97/92/44/493979244.db2.gz MXFIZPYYLFXMIT-QGZVFWFLSA-N 0 3 371.456 3.056 50 0 FGAAHN CCc1ccc(OCC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000032399074 493984847 /nfs/dbraw/zinc/98/48/47/493984847.db2.gz SZVCNPZHBMYJOX-UHFFFAOYSA-N 0 3 352.478 3.192 50 0 FGAAHN O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077298364 494050803 /nfs/dbraw/zinc/05/08/03/494050803.db2.gz SBFWLRBTPZTNJL-FQEVSTJZSA-N 0 3 366.509 3.418 50 0 FGAAHN COc1ccc(-c2nccn2[C@H]2COC[C@@H]2N2CCCCC2)c(OC)c1C ZINC000077391284 494074167 /nfs/dbraw/zinc/07/41/67/494074167.db2.gz JDIYEQBLACNFHP-ROUUACIJSA-N 0 3 371.481 3.302 50 0 FGAAHN CN(C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(CO)n2)cc1 ZINC000077439404 494083842 /nfs/dbraw/zinc/08/38/42/494083842.db2.gz LPCPZXSHLJFNHT-FQEVSTJZSA-N 0 3 353.466 3.003 50 0 FGAAHN Fc1cccc([C@@H]2CN(Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071746341 494097002 /nfs/dbraw/zinc/09/70/02/494097002.db2.gz WYEVEBSRNZRAGZ-IOMROCGXSA-N 0 3 355.432 3.422 50 0 FGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3F)cc2)CC1 ZINC000009157340 494117185 /nfs/dbraw/zinc/11/71/85/494117185.db2.gz CNWHPENSJGZWEJ-UHFFFAOYSA-N 0 3 357.429 3.229 50 0 FGAAHN CN(Cc1cc2n(n1)CCCNC2)Cc1nc(-c2ccccc2)cs1 ZINC000072156611 494137103 /nfs/dbraw/zinc/13/71/03/494137103.db2.gz NBIODSUCIDOGOA-UHFFFAOYSA-N 0 3 353.495 3.132 50 0 FGAAHN COCCCN1CCCN(Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000072308506 494149910 /nfs/dbraw/zinc/14/99/10/494149910.db2.gz BTYFGCVGSMQBEJ-UHFFFAOYSA-N 0 3 372.513 3.404 50 0 FGAAHN CCN1CCC(N(C)C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072306822 494149940 /nfs/dbraw/zinc/14/99/40/494149940.db2.gz MHQFOAMULCRSJP-UHFFFAOYSA-N 0 3 369.868 3.141 50 0 FGAAHN CN1CCC(N(CCc2ccccc2)C(=O)c2ncoc2C2CC2)CC1 ZINC000072423866 494170636 /nfs/dbraw/zinc/17/06/36/494170636.db2.gz SGYSMDZCYYINKL-UHFFFAOYSA-N 0 3 353.466 3.331 50 0 FGAAHN CC(C)(O)CCc1ccc(CN2CCCN(Cc3cccnc3)CC2)cc1 ZINC000072431854 494174055 /nfs/dbraw/zinc/17/40/55/494174055.db2.gz VERMZIPEGBMXPE-UHFFFAOYSA-N 0 3 367.537 3.493 50 0 FGAAHN CC(C)CCC(=O)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000011790935 494191227 /nfs/dbraw/zinc/19/12/27/494191227.db2.gz YTBIMRHOCVJOMF-LJQANCHMSA-N 0 3 359.514 3.148 50 0 FGAAHN Cc1nccn1-c1ccc(NC(=O)[C@H]2CCCN2C2CCSCC2)cc1 ZINC000011819979 494192286 /nfs/dbraw/zinc/19/22/86/494192286.db2.gz RJUSELSTGIQUAO-LJQANCHMSA-N 0 3 370.522 3.479 50 0 FGAAHN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)C2CCN(C(C)C)CC2)C1 ZINC000011933577 494197421 /nfs/dbraw/zinc/19/74/21/494197421.db2.gz LBRINAAEYJQAFW-SFHVURJKSA-N 0 3 372.509 3.237 50 0 FGAAHN CC(=O)Nc1ccc(CN2CCC(=O)N(Cc3ccccc3C)CC2)cc1 ZINC000012131902 494207400 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Cc1ccc(C(=O)NC2CCN(CCC(=O)Nc3ccccc3)CC2)s1 ZINC000051098479 205180757 /nfs/dbraw/zinc/18/07/57/205180757.db2.gz UOYOCRSKOUKVBH-UHFFFAOYSA-N 0 3 371.506 3.280 50 0 FGAAHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CSCc2ccncc2)C1 ZINC000054227951 205199089 /nfs/dbraw/zinc/19/90/89/205199089.db2.gz KCGGXTFLMCOWCB-APWZRJJASA-N 0 3 355.507 3.267 50 0 FGAAHN COc1ccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000058167961 205253755 /nfs/dbraw/zinc/25/37/55/205253755.db2.gz CAHNAQOHHFJRBP-UHFFFAOYSA-N 0 3 370.518 3.468 50 0 FGAAHN O=C(Nc1cc(Cl)ccc1[O-])C1CC[NH+](CCc2ccncc2)CC1 ZINC000058003309 205247453 /nfs/dbraw/zinc/24/74/53/205247453.db2.gz HBNATRFKQDAGJI-UHFFFAOYSA-N 0 3 359.857 3.334 50 0 FGAAHN Cc1ccccc1C(=O)NC1CCN(CCCOCC(F)(F)F)CC1 ZINC000058440381 205276523 /nfs/dbraw/zinc/27/65/23/205276523.db2.gz IOYDQPSNJBXZOY-UHFFFAOYSA-N 0 3 358.404 3.158 50 0 FGAAHN C[C@@H]1CCCCN1CCNC(=O)CCc1cn(C)nc1-c1ccccc1 ZINC000064860973 205307868 /nfs/dbraw/zinc/30/78/68/205307868.db2.gz XDNSFISAUYKJKU-QGZVFWFLSA-N 0 3 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Cc1nc(C(=O)N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)cs1 ZINC000011873001 494195207 /nfs/dbraw/zinc/19/52/07/494195207.db2.gz VEYWVPPOIQBMGO-GOSISDBHSA-N 0 3 370.522 3.221 50 0 FGAAHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3)nn1C ZINC000011933378 494196808 /nfs/dbraw/zinc/19/68/08/494196808.db2.gz SWBSCAQWAJEMFG-JOCHJYFZSA-N 0 3 366.509 3.165 50 0 FGAAHN COC[C@@H](C)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1 ZINC000012203167 494214043 /nfs/dbraw/zinc/21/40/43/494214043.db2.gz XSSMNAMRRKEGFE-QGZVFWFLSA-N 0 3 370.497 3.126 50 0 FGAAHN CN(C)[C@@H]1CCN(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1 ZINC000012300505 494220702 /nfs/dbraw/zinc/22/07/02/494220702.db2.gz KGMZATAGHWOLST-GFCCVEGCSA-N 0 3 374.897 3.492 50 0 FGAAHN O=C(CSc1ccccn1)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012434644 494231961 /nfs/dbraw/zinc/23/19/61/494231961.db2.gz HYJCCYMGAREKMM-LJQANCHMSA-N 0 3 369.534 3.387 50 0 FGAAHN c1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)cc2nonc12 ZINC000012449270 494234257 /nfs/dbraw/zinc/23/42/57/494234257.db2.gz 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/nfs/dbraw/zinc/32/21/11/494322111.db2.gz CRFUNKJNOIHUQM-UHFFFAOYSA-N 0 3 355.413 3.081 50 0 FGAAHN Cc1nc(C)c(C(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)s1 ZINC000014974557 494331443 /nfs/dbraw/zinc/33/14/43/494331443.db2.gz HFBQFOWPWQLUFW-SFHVURJKSA-N 0 3 369.534 3.464 50 0 FGAAHN Cc1c(CN2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3)cnn1C ZINC000015073871 494336958 /nfs/dbraw/zinc/33/69/58/494336958.db2.gz MDDCJXHFLOVJGZ-NRFANRHFSA-N 0 3 356.489 3.356 50 0 FGAAHN CSc1ccc(CN2CCC[C@@H](CNC(=O)c3cccnc3)C2)cc1 ZINC000015078174 494337577 /nfs/dbraw/zinc/33/75/77/494337577.db2.gz VRAQSURCANPWIH-KRWDZBQOSA-N 0 3 355.507 3.446 50 0 FGAAHN CCOc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000015582599 494360876 /nfs/dbraw/zinc/36/08/76/494360876.db2.gz PUPNFKQWPIWOKS-UHFFFAOYSA-N 0 3 368.477 3.245 50 0 FGAAHN Cc1ccc(NC(=O)Cc2c(O)nc3[nH]c4ccccc4n32)c(Cl)c1 ZINC000020103373 494466385 /nfs/dbraw/zinc/46/63/85/494466385.db2.gz CVUCQLSPKXNJED-OAHLLOKOSA-N 0 3 354.797 3.174 50 0 FGAAHN Cc1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)c(Cl)c1 ZINC000020103373 494466386 /nfs/dbraw/zinc/46/63/86/494466386.db2.gz CVUCQLSPKXNJED-OAHLLOKOSA-N 0 3 354.797 3.174 50 0 FGAAHN CC1=C(C(=O)Nc2ccc(C)c(C)c2)C2(CCN(C(C)C)CC2)OC1=O ZINC000020581685 494476946 /nfs/dbraw/zinc/47/69/46/494476946.db2.gz VCWUAGYFLNEBIF-UHFFFAOYSA-N 0 3 356.466 3.358 50 0 FGAAHN OCC[C@@H]1CN(Cc2ccc(F)cc2F)CCN1CC1CCCCC1 ZINC000020778662 494480675 /nfs/dbraw/zinc/48/06/75/494480675.db2.gz YDNWPMSCZONZAS-LJQANCHMSA-N 0 3 352.469 3.414 50 0 FGAAHN Cc1cc(C)c(C(=O)NC[C@@H](c2ccccc2)N2CCCCCC2)c(=O)[nH]1 ZINC000091574458 494619002 /nfs/dbraw/zinc/61/90/02/494619002.db2.gz VBQCNGSJLZSARR-IBGZPJMESA-N 0 3 367.493 3.339 50 0 FGAAHN O=C(c1ccc([O-])cc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091585659 494620622 /nfs/dbraw/zinc/62/06/22/494620622.db2.gz NIUXMIFJWKHBGT-OXJNMPFZSA-N 0 3 362.473 3.096 50 0 FGAAHN O=C(c1ccc([O-])cc1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000091585659 494620628 /nfs/dbraw/zinc/62/06/28/494620628.db2.gz NIUXMIFJWKHBGT-OXJNMPFZSA-N 0 3 362.473 3.096 50 0 FGAAHN O=C(c1cnccn1)N1C[C@@H]2CC[C@H](C1)N(Cc1cccc3ccccc31)C2 ZINC000091691714 494649291 /nfs/dbraw/zinc/64/92/91/494649291.db2.gz JYFDMTJRMPRFSY-YLJYHZDGSA-N 0 3 372.472 3.366 50 0 FGAAHN C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091755333 494667512 /nfs/dbraw/zinc/66/75/12/494667512.db2.gz MGFSNYBUTLADKQ-VFNWGFHPSA-N 0 3 373.472 3.215 50 0 FGAAHN CC(C)c1ccc(CCCC(=O)N2CCC3(CC2)CN(C)CCN3C)cc1 ZINC000067920524 494693777 /nfs/dbraw/zinc/69/37/77/494693777.db2.gz RVQNJFGAAFEABY-UHFFFAOYSA-N 0 3 371.569 3.371 50 0 FGAAHN Cc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 ZINC000091895367 494717377 /nfs/dbraw/zinc/71/73/77/494717377.db2.gz GVJGRACUYJRUCB-VQTJNVASSA-N 0 3 367.493 3.461 50 0 FGAAHN C[C@@H](c1ccc(F)cc1)N(C)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000025302286 494719047 /nfs/dbraw/zinc/71/90/47/494719047.db2.gz RELWBCKQMJLETQ-KBXCAEBGSA-N 0 3 361.413 3.125 50 0 FGAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)oc1C)CC2 ZINC000091965367 494738004 /nfs/dbraw/zinc/73/80/04/494738004.db2.gz VBKFSLABLRTDIR-UHFFFAOYSA-N 0 3 370.497 3.409 50 0 FGAAHN CCn1c(Cn2cccn2)nnc1C1CCN(Cc2ccccc2C)CC1 ZINC000092099960 494788903 /nfs/dbraw/zinc/78/89/03/494788903.db2.gz MITAMNUQFKXLIC-UHFFFAOYSA-N 0 3 364.497 3.231 50 0 FGAAHN CN1CCCCC[C@@H]1C(=O)N(Cc1ccncc1)Cc1ccc(O)cc1 ZINC000095370993 494966564 /nfs/dbraw/zinc/96/65/64/494966564.db2.gz GQVHOCBPPOEDIK-HXUWFJFHSA-N 0 3 353.466 3.190 50 0 FGAAHN CCc1ccccc1NC(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095379505 494970186 /nfs/dbraw/zinc/97/01/86/494970186.db2.gz CCLXIFRKCJVSHH-SFHVURJKSA-N 0 3 369.513 3.419 50 0 FGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1OCCOCC)C2 ZINC000095384221 494971172 /nfs/dbraw/zinc/97/11/72/494971172.db2.gz CWRZXULHWDQCMY-QZTJIDSGSA-N 0 3 360.498 3.048 50 0 FGAAHN Cc1cc(-c2nc(COc3ccc(F)cc3)nn2C2CCN(C)CC2)no1 ZINC000095503595 494982089 /nfs/dbraw/zinc/98/20/89/494982089.db2.gz HVPGEFQSHGDBMA-UHFFFAOYSA-N 0 3 371.416 3.226 50 0 FGAAHN COc1ccccc1-n1nc(CC2CCN(C)CC2)nc1CCSC ZINC000095522440 494986604 /nfs/dbraw/zinc/98/66/04/494986604.db2.gz GQPJULHGUFAKNW-UHFFFAOYSA-N 0 3 360.527 3.066 50 0 FGAAHN COc1ccc(NC(=O)NCCN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000096163962 495005523 /nfs/dbraw/zinc/00/55/23/495005523.db2.gz IKMUIUDHGGLPSD-KRWDZBQOSA-N 0 3 354.454 3.091 50 0 FGAAHN CN1CCN(C[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000097632198 495040252 /nfs/dbraw/zinc/04/02/52/495040252.db2.gz KVCDMDADRLQRMY-KRWDZBQOSA-N 0 3 355.448 3.165 50 0 FGAAHN CN(C)Cc1cccc(CN(C)C(=O)[C@@H]2CCOc3ccccc3C2)c1 ZINC000097674075 495040946 /nfs/dbraw/zinc/04/09/46/495040946.db2.gz LQXDXUNIXASRKH-HXUWFJFHSA-N 0 3 352.478 3.348 50 0 FGAAHN CCOc1cc(N2CCN(C(C)C)CC2)ccc1NC(=O)c1ccccn1 ZINC000170606060 495533811 /nfs/dbraw/zinc/53/38/11/495533811.db2.gz KKLGRRGLYQXSIY-UHFFFAOYSA-N 0 3 368.481 3.263 50 0 FGAAHN CC(C)OCCN1CCC(NC(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000176220957 495552273 /nfs/dbraw/zinc/55/22/73/495552273.db2.gz LKFNTJYDFURWGM-LJQANCHMSA-N 0 3 373.541 3.295 50 0 FGAAHN CNS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CCCc3sccc32)cc1 ZINC000151913490 495990462 /nfs/dbraw/zinc/99/04/62/495990462.db2.gz YLCVMDKPHAOIQO-BLLLJJGKSA-N 0 3 350.509 3.384 50 0 FGAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccc(Cl)s1 ZINC000222016264 497020803 /nfs/dbraw/zinc/02/08/03/497020803.db2.gz SXESVJGLBJQCTP-HUUCEWRRSA-N 0 3 364.898 3.014 50 0 FGAAHN CCO[C@H]1C[C@@H](NCC(=O)NCc2ccc(OC)cc2)C12CCCCC2 ZINC000225549045 497065785 /nfs/dbraw/zinc/06/57/85/497065785.db2.gz HDUJZGUBZBFYEW-MOPGFXCFSA-N 0 3 360.498 3.029 50 0 FGAAHN CN(C)CC1(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCC1 ZINC000253429106 497334152 /nfs/dbraw/zinc/33/41/52/497334152.db2.gz SDVKDWVLDNKAJW-UHFFFAOYSA-N 0 3 364.877 3.073 50 0 FGAAHN Cc1ccc(C)c2c(=O)cc(CN3CCC4(CCC(=O)NC4)CC3)[nH]c12 ZINC000253537285 497336786 /nfs/dbraw/zinc/33/67/86/497336786.db2.gz JRIZUHSDYIBZLH-UHFFFAOYSA-N 0 3 353.466 3.049 50 0 FGAAHN COc1ccccc1NC(=O)CN1CCCC[C@H]1CCn1ccnc1C ZINC000244701218 497368044 /nfs/dbraw/zinc/36/80/44/497368044.db2.gz KCHKOCQYOYVGNE-KRWDZBQOSA-N 0 3 356.470 3.083 50 0 FGAAHN Cc1nc2c(c(C)n1)C[C@H](CN1CCC(c3nc4ccccc4o3)CC1)O2 ZINC000244748690 497370639 /nfs/dbraw/zinc/37/06/39/497370639.db2.gz OMNVGVHJXASICI-MRXNPFEDSA-N 0 3 364.449 3.418 50 0 FGAAHN Cc1cccc(CN(CCC(=O)Nc2nccs2)C[C@H]2CCCO2)c1 ZINC000244882843 497373555 /nfs/dbraw/zinc/37/35/55/497373555.db2.gz YAFIZCQAUKHSSX-QGZVFWFLSA-N 0 3 359.495 3.461 50 0 FGAAHN O=C(CCN1CCN(C2CCSCC2)CC1)Nc1cccc(Cl)c1 ZINC000244899376 497374720 /nfs/dbraw/zinc/37/47/20/497374720.db2.gz ZISQQJKJYCKISV-UHFFFAOYSA-N 0 3 367.946 3.182 50 0 FGAAHN O=C(NC[C@H](O)c1cccc(O)c1)Nc1cccc(CN2CCCCC2)c1 ZINC000299772249 497918849 /nfs/dbraw/zinc/91/88/49/497918849.db2.gz UGDQPFYABVMDIK-FQEVSTJZSA-N 0 3 369.465 3.233 50 0 FGAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299793117 497924807 /nfs/dbraw/zinc/92/48/07/497924807.db2.gz JEGZXEUCTPEIDA-HOTGVXAUSA-N 0 3 362.861 3.117 50 0 FGAAHN Cc1nccn1[C@@H](C)C(=O)N1CCC(c2nc3ccc(F)cc3[nH]2)CC1 ZINC000299791634 497925668 /nfs/dbraw/zinc/92/56/68/497925668.db2.gz HDWFTRQNHXWVCI-LBPRGKRZSA-N 0 3 355.417 3.174 50 0 FGAAHN CCn1cc(CN2CC[C@H](n3c(C)cnc3C3CCOCC3)C2)c(C)n1 ZINC000575550777 505980937 /nfs/dbraw/zinc/98/09/37/505980937.db2.gz XZSAYNFQZLHXQL-IBGZPJMESA-N 0 3 357.502 3.057 50 0 FGAAHN CC[C@@H]1CN(C)CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000328592217 498870523 /nfs/dbraw/zinc/87/05/23/498870523.db2.gz QJFPHFCKPMKJSC-QGZVFWFLSA-N 0 3 355.438 3.088 50 0 FGAAHN CO[C@]12CCN(Cc3cccc(C(F)(F)F)c3)[C@H]1C[C@@H](OCCO)CC2 ZINC000426487794 500278944 /nfs/dbraw/zinc/27/89/44/500278944.db2.gz AALTZRLEYWZCGB-OKZBNKHCSA-N 0 3 373.415 3.226 50 0 FGAAHN CCC1CCN(CCNC(=O)N(C)Cc2cc(-c3ccncc3)no2)CC1 ZINC000426546080 500287732 /nfs/dbraw/zinc/28/77/32/500287732.db2.gz FHBKFGGJFSSIHW-UHFFFAOYSA-N 0 3 371.485 3.000 50 0 FGAAHN Cc1cc(CN(C)C(=O)NCCN2CCC[C@H](c3ccccc3)C2)ccn1 ZINC000426589785 500292663 /nfs/dbraw/zinc/29/26/63/500292663.db2.gz NNFIJJFKRVNPDQ-NRFANRHFSA-N 0 3 366.509 3.411 50 0 FGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)N2CCC(F)(F)CC2)C1 ZINC000426668352 500304215 /nfs/dbraw/zinc/30/42/15/500304215.db2.gz NGVQEFFIVJBEJV-INIZCTEOSA-N 0 3 351.441 3.225 50 0 FGAAHN O=C(N[C@H]1CCOC1)c1ccc(-c2ccc(CN3CCCCC3)cn2)cc1 ZINC000534657585 504206670 /nfs/dbraw/zinc/20/66/70/504206670.db2.gz VJXLRPGUIQLUOX-FQEVSTJZSA-N 0 3 365.477 3.253 50 0 FGAAHN O=C(NCCN1CCCCC1)c1cccc(-c2cnc3ccc(F)cn32)c1 ZINC000584891163 507558607 /nfs/dbraw/zinc/55/86/07/507558607.db2.gz MQYAAORJBWPBLT-UHFFFAOYSA-N 0 3 366.440 3.356 50 0 FGAAHN Cc1ccc(CN2CCC(CNC(=O)N3CCC(F)(F)CC3)CC2)o1 ZINC000584897892 507562595 /nfs/dbraw/zinc/56/25/95/507562595.db2.gz PJQLLPDZLDKUNF-UHFFFAOYSA-N 0 3 355.429 3.241 50 0 FGAAHN CC(C)=CCN1CCN(Cc2cc(C)ccc2-n2cccn2)C[C@@H]1CCO ZINC000020780328 519425690 /nfs/dbraw/zinc/42/56/90/519425690.db2.gz JQEYZBCYHXTBGV-NRFANRHFSA-N 0 3 368.525 3.016 50 0 FGAAHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccsc2)cc1 ZINC000247970411 519729563 /nfs/dbraw/zinc/72/95/63/519729563.db2.gz YKZBKQDRQYBSMO-MJGOQNOKSA-N 0 3 360.479 3.283 50 0 FGAAHN CCN(CC)[C@@H](CNC(=O)CN(C)[C@H]1CCc2ccccc21)c1ccco1 ZINC000245237337 520832309 /nfs/dbraw/zinc/83/23/09/520832309.db2.gz JZYGICUQJYIOCJ-PMACEKPBSA-N 0 3 369.509 3.398 50 0 FGAAHN CCCn1cc(CN2CCC[C@@H](N(CC)Cc3ccncc3)C2)c(C)n1 ZINC000020598248 521651610 /nfs/dbraw/zinc/65/16/10/521651610.db2.gz NBRHBFKUGOFMRJ-OAQYLSRUSA-N 0 3 355.530 3.483 50 0 FGAAHN CCCn1ncc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1C ZINC000091452495 521671050 /nfs/dbraw/zinc/67/10/50/521671050.db2.gz HZLJJCIQGBGTDH-UHFFFAOYSA-N 0 3 354.498 3.211 50 0 FGAAHN CN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccc2c(c1)CCO2 ZINC000090607236 522023268 /nfs/dbraw/zinc/02/32/68/522023268.db2.gz SFYCEGCENXOVCO-INIZCTEOSA-N 0 3 362.832 3.447 50 0 FGAAHN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(Cc2ccco2)C1 ZINC000091663676 526395252 /nfs/dbraw/zinc/39/52/52/526395252.db2.gz ITJDGRISSAJPJM-KRWDZBQOSA-N 0 3 351.450 3.332 50 0 FGAAHN 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VCPYKOREBYZXNO-HNNXBMFYSA-N 0 3 356.557 3.341 50 0 FGAAHN O=C(CC1N=C(N2CCc3ccccc32)NC1=O)Nc1ccc(Cl)cc1 ZINC000013724570 494295127 /nfs/dbraw/zinc/29/51/27/494295127.db2.gz HMMYODCQWNIUDH-HNNXBMFYSA-N 0 3 368.824 3.426 50 0 FGAAHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H]2c2cccs2)cc1 ZINC000014200945 494310056 /nfs/dbraw/zinc/31/00/56/494310056.db2.gz HEHFHINGENINEB-NVXWUHKLSA-N 0 3 361.463 3.112 50 0 FGAAHN COc1cc(C[C@@H]2CC(CNCCc3cccs3)=NO2)cc2c1OCO2 ZINC000015085677 494337900 /nfs/dbraw/zinc/33/79/00/494337900.db2.gz JYJUOPNYUOOJCS-OAHLLOKOSA-N 0 3 374.462 3.005 50 0 FGAAHN CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cnc[nH]2)C1 ZINC000015080384 494338285 /nfs/dbraw/zinc/33/82/85/494338285.db2.gz WPRLWNVBQLISRR-LJQANCHMSA-N 0 3 361.873 3.451 50 0 FGAAHN CC[C@H](C)N(CCNC(=O)Cc1noc2ccccc21)Cc1ccco1 ZINC000015675053 494364894 /nfs/dbraw/zinc/36/48/94/494364894.db2.gz OSZKGQHXZJBPEK-HNNXBMFYSA-N 0 3 355.438 3.380 50 0 FGAAHN Cc1nc(-c2ccccc2)oc1C(=O)N(CCN(C)C)Cc1ccccn1 ZINC000073457478 494373633 /nfs/dbraw/zinc/37/36/33/494373633.db2.gz DCJKWTKNWRTRGG-UHFFFAOYSA-N 0 3 364.449 3.249 50 0 FGAAHN C[C@H]1CN(CCCCNc2nn3cc(C(C)(C)C)nc3s2)C[C@H](C)O1 ZINC000079063640 494398211 /nfs/dbraw/zinc/39/82/11/494398211.db2.gz CAKZVZZGLGSPDN-KBPBESRZSA-N 0 3 365.547 3.390 50 0 FGAAHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c2c1 ZINC000018244398 494430987 /nfs/dbraw/zinc/43/09/87/494430987.db2.gz XTGWWEOWJBKKCO-LJQANCHMSA-N 0 3 365.408 3.080 50 0 FGAAHN COc1cc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000019359202 494443668 /nfs/dbraw/zinc/44/36/68/494443668.db2.gz YAMIXNQGODBAGT-KRWDZBQOSA-N 0 3 360.498 3.186 50 0 FGAAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000023361134 494561937 /nfs/dbraw/zinc/56/19/37/494561937.db2.gz QIPUWKFKYZVUBH-NRFANRHFSA-N 0 3 365.521 3.482 50 0 FGAAHN Cn1cc(-c2ccnc(NCCN3CCC[C@@H](c4ccccc4)C3)n2)cn1 ZINC000023478254 494568121 /nfs/dbraw/zinc/56/81/21/494568121.db2.gz VNNSKBYNFPZVHH-GOSISDBHSA-N 0 3 362.481 3.169 50 0 FGAAHN Cc1c(Cl)cccc1C(=O)N1CCC(c2nccn2CCN(C)C)CC1 ZINC000091270491 494577033 /nfs/dbraw/zinc/57/70/33/494577033.db2.gz OXYCZLDNSWDUEL-UHFFFAOYSA-N 0 3 374.916 3.426 50 0 FGAAHN Cc1nc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c2ccccn12 ZINC000091587070 494620945 /nfs/dbraw/zinc/62/09/45/494620945.db2.gz ZFDXBJREQMCARI-VQTJNVASSA-N 0 3 361.493 3.134 50 0 FGAAHN Cc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccccc2O)n[nH]1)N(C)C ZINC000091746246 494664596 /nfs/dbraw/zinc/66/45/96/494664596.db2.gz OPGTVPODYRHXFG-LJQANCHMSA-N 0 3 364.449 3.123 50 0 FGAAHN Cc1ccc(CNC[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)cc1 ZINC000067883607 494678779 /nfs/dbraw/zinc/67/87/79/494678779.db2.gz GORHKTSHVISOOV-QHCPKHFHSA-N 0 3 366.505 3.071 50 0 FGAAHN COc1ccc([C@H](CNC(=O)NCc2ccc(F)cc2)N2CCCC2)cc1 ZINC000025046616 494694251 /nfs/dbraw/zinc/69/42/51/494694251.db2.gz OEZSBLOJYQHAGQ-FQEVSTJZSA-N 0 3 371.456 3.471 50 0 FGAAHN CSc1nc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)cs1 ZINC000091893040 494715944 /nfs/dbraw/zinc/71/59/44/494715944.db2.gz ZIKPDRBVAOIAKX-ZIAGYGMSSA-N 0 3 351.541 3.368 50 0 FGAAHN O=C(CSc1ccncc1)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000092037287 494763516 /nfs/dbraw/zinc/76/35/16/494763516.db2.gz KYTNWYJGWDUUKE-RTBURBONSA-N 0 3 367.518 3.297 50 0 FGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)nc1-c1ccccc1)C2 ZINC000092038869 494763581 /nfs/dbraw/zinc/76/35/81/494763581.db2.gz QVDMBAMLEFOAFO-IEBWSBKVSA-N 0 3 364.493 3.398 50 0 FGAAHN Cc1cnc(CN2C[C@]3(CCCN(Cc4ccccc4)C3)CCC2=O)cn1 ZINC000092062503 494774524 /nfs/dbraw/zinc/77/45/24/494774524.db2.gz INVPYYWJTDCBQH-JOCHJYFZSA-N 0 3 364.493 3.190 50 0 FGAAHN C[C@H](CNCc1ccc(-c2nc3ccccc3s2)o1)N1CCOCC1 ZINC000027219460 494857540 /nfs/dbraw/zinc/85/75/40/494857540.db2.gz CASDBGNICXFDOW-CQSZACIVSA-N 0 3 357.479 3.367 50 0 FGAAHN COc1ccccc1OCC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027604613 494877049 /nfs/dbraw/zinc/87/70/49/494877049.db2.gz TYJSRXOOPBMNLL-OAHLLOKOSA-N 0 3 360.479 3.089 50 0 FGAAHN COc1ccc(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)cc1 ZINC000027793096 494885189 /nfs/dbraw/zinc/88/51/89/494885189.db2.gz NGHWYPYOKUVHHZ-OAQYLSRUSA-N 0 3 352.478 3.499 50 0 FGAAHN Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)N2CCCC2)cc1 ZINC000027793209 494885239 /nfs/dbraw/zinc/88/52/39/494885239.db2.gz XTOVYJMJVBBSAK-FQEVSTJZSA-N 0 3 356.441 3.466 50 0 FGAAHN CC(C)c1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)n(C)n1 ZINC000095354545 494961334 /nfs/dbraw/zinc/96/13/34/494961334.db2.gz JJCBTRIVMRTXKT-RTBURBONSA-N 0 3 366.509 3.280 50 0 FGAAHN Cc1c(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)cnn1C ZINC000095361160 494963252 /nfs/dbraw/zinc/96/32/52/494963252.db2.gz BHPNXGHODGIZDA-IOMROCGXSA-N 0 3 372.463 3.069 50 0 FGAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccncc3F)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095364278 494964300 /nfs/dbraw/zinc/96/43/00/494964300.db2.gz VUVITAPPNKUMBH-CEWLAPEOSA-N 0 3 365.452 3.232 50 0 FGAAHN O=C1[C@H]2CC[C@H](CN(Cc3ccc(-n4ccnc4)cc3)C2)N1CC1CCC1 ZINC000095362509 494964665 /nfs/dbraw/zinc/96/46/65/494964665.db2.gz OORGUQCHHROHPH-PZJWPPBQSA-N 0 3 364.493 3.095 50 0 FGAAHN Cc1nc(C(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)cs1 ZINC000095372075 494967851 /nfs/dbraw/zinc/96/78/51/494967851.db2.gz NDQMVFXRWUHRTD-MISYRCLQSA-N 0 3 367.518 3.462 50 0 FGAAHN CCN1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1cccnc1 ZINC000095392619 494973666 /nfs/dbraw/zinc/97/36/66/494973666.db2.gz VDEGDRLPCUPRNH-SFHVURJKSA-N 0 3 354.454 3.306 50 0 FGAAHN Cc1cc(CC(=O)N(C)CC2CCN(CCc3cccc(F)c3)CC2)on1 ZINC000095505219 494982593 /nfs/dbraw/zinc/98/25/93/494982593.db2.gz DLFRXPQNGIEKDH-UHFFFAOYSA-N 0 3 373.472 3.078 50 0 FGAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2cccn2C)cc1 ZINC000095507007 494982656 /nfs/dbraw/zinc/98/26/56/494982656.db2.gz IAXCVNMJUOFTFL-UHFFFAOYSA-N 0 3 369.509 3.060 50 0 FGAAHN O=C(Nc1ccc(OC(F)F)cc1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000095511274 494983336 /nfs/dbraw/zinc/98/33/36/494983336.db2.gz NQYVDGMNSMPKSK-MRXNPFEDSA-N 0 3 369.412 3.007 50 0 FGAAHN CC(C)c1nccn1[C@@H](C)C(=O)NC1CCN(Cc2cccs2)CC1 ZINC000095515169 494984071 /nfs/dbraw/zinc/98/40/71/494984071.db2.gz UOWOTXJONGREKY-HNNXBMFYSA-N 0 3 360.527 3.410 50 0 FGAAHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2cc(C(N)=O)ccc2C)s1 ZINC000095512791 494984355 /nfs/dbraw/zinc/98/43/55/494984355.db2.gz XTBAPPNREOHFCS-UHFFFAOYSA-N 0 3 374.510 3.060 50 0 FGAAHN COc1cc(CN2C[C@@H](c3ccc(C)cc3)[C@H](NC(C)=O)C2)cc(OC)c1 ZINC000095519450 494985402 /nfs/dbraw/zinc/98/54/02/494985402.db2.gz IVOVRULRKYNABL-FCHUYYIVSA-N 0 3 368.477 3.116 50 0 FGAAHN COc1cc2c(cc1CNC(=O)[C@@H]1CCCN(Cc3ccco3)C1)CCC2 ZINC000095523885 494986245 /nfs/dbraw/zinc/98/62/45/494986245.db2.gz CRDDCPHXSISRQZ-GOSISDBHSA-N 0 3 368.477 3.305 50 0 FGAAHN Cc1ccc(F)c(NC(=O)N2CCCC[C@@H]2CCN2CCN(C)CC2)c1 ZINC000096138087 495003729 /nfs/dbraw/zinc/00/37/29/495003729.db2.gz QIDZFULNHMTGIV-QGZVFWFLSA-N 0 3 362.493 3.158 50 0 FGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccon1 ZINC000096142340 495004323 /nfs/dbraw/zinc/00/43/23/495004323.db2.gz INMWLVNDAFHKCX-GOSISDBHSA-N 0 3 371.481 3.100 50 0 FGAAHN Cc1nn(C)c(C)c1/C=C\C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000096794584 495014468 /nfs/dbraw/zinc/01/44/68/495014468.db2.gz VVQGGQQOQVIZEJ-JJEJIETFSA-N 0 3 358.511 3.065 50 0 FGAAHN CN1CCC(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000097252637 495029685 /nfs/dbraw/zinc/02/96/85/495029685.db2.gz POAAEILEVCOASX-UHFFFAOYSA-N 0 3 361.536 3.152 50 0 FGAAHN O=C(CN1CCCCCCC1)N1CCn2nc(Cc3ccccc3)cc2C1 ZINC000097495295 495036474 /nfs/dbraw/zinc/03/64/74/495036474.db2.gz MSUMLZTVJWLRRL-UHFFFAOYSA-N 0 3 366.509 3.082 50 0 FGAAHN Cc1ccc(-c2cccc(NC(=O)NCCN3CCC(CO)CC3)c2)cc1 ZINC000097547595 495037482 /nfs/dbraw/zinc/03/74/82/495037482.db2.gz DEQCVVZREVAQLQ-UHFFFAOYSA-N 0 3 367.493 3.488 50 0 FGAAHN O[C@H](c1ccccn1)C1CCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000097813705 495045805 /nfs/dbraw/zinc/04/58/05/495045805.db2.gz FHCKCHRYMZASEA-QFIPXVFZSA-N 0 3 362.477 3.272 50 0 FGAAHN COc1ccc(-c2ccc(CN3CCC[C@@H](CN4CCOCC4)C3)o2)cc1 ZINC000215189411 496979386 /nfs/dbraw/zinc/97/93/86/496979386.db2.gz FXYKSXWISOTEJA-SFHVURJKSA-N 0 3 370.493 3.499 50 0 FGAAHN Cc1nn(C)c(C)c1CN1C[C@@H](COCC2CC2)[C@H](c2ccccn2)C1 ZINC000253413691 497332720 /nfs/dbraw/zinc/33/27/20/497332720.db2.gz VKWIVIXWMMBKPL-AZUAARDMSA-N 0 3 354.498 3.074 50 0 FGAAHN Cn1cc(CNCCSc2nnnn2-c2ccccc2)c2ccccc21 ZINC000261491953 497414982 /nfs/dbraw/zinc/41/49/82/497414982.db2.gz MKSPPFRZMUZNKH-UHFFFAOYSA-N 0 3 364.478 3.036 50 0 FGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2scc3c2OCCO3)C1 ZINC000299757690 497913851 /nfs/dbraw/zinc/91/38/51/497913851.db2.gz ALOAEKGJMVRPJI-HNNXBMFYSA-N 0 3 372.490 3.047 50 0 FGAAHN CO[C@]12CCN(Cc3c(C)n[nH]c3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299761215 497914999 /nfs/dbraw/zinc/91/49/99/497914999.db2.gz XBLUXXLLGGOFGN-XKGZKEIXSA-N 0 3 356.470 3.013 50 0 FGAAHN Cc1ncsc1CCC(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000299796102 497927150 /nfs/dbraw/zinc/92/71/50/497927150.db2.gz MXLQPDSGMLJIME-KRWDZBQOSA-N 0 3 357.523 3.298 50 0 FGAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1csc(-c2ccccc2)n1 ZINC000575608918 505982651 /nfs/dbraw/zinc/98/26/51/505982651.db2.gz 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494272656 /nfs/dbraw/zinc/27/26/56/494272656.db2.gz YKFWAKMOOYQKRM-VAMGGRTRSA-N 0 3 371.396 3.133 50 0 FGAAHN CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@H]1CCCCCN1C ZINC000014969152 494331243 /nfs/dbraw/zinc/33/12/43/494331243.db2.gz HOGLWIUULTYWAK-HXUWFJFHSA-N 0 3 366.509 3.209 50 0 FGAAHN CCOc1ccc(CN2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1CO ZINC000014974219 494331996 /nfs/dbraw/zinc/33/19/96/494331996.db2.gz CDXLJDCRDMZHIP-GOSISDBHSA-N 0 3 374.525 3.192 50 0 FGAAHN Cc1cccc(C(=O)N2CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000015075198 494337594 /nfs/dbraw/zinc/33/75/94/494337594.db2.gz MMXZIUSRSCNHCD-HXUWFJFHSA-N 0 3 364.493 3.159 50 0 FGAAHN O=C(NCCN1CCCCC1)c1sc2ncccc2c1-n1cccc1 ZINC000015786022 494367882 /nfs/dbraw/zinc/36/78/82/494367882.db2.gz CYJBKFBGILRMEL-UHFFFAOYSA-N 0 3 354.479 3.303 50 0 FGAAHN c1nc2ncnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2[nH]1 ZINC000020444026 494473657 /nfs/dbraw/zinc/47/36/57/494473657.db2.gz AJJJNTQUKUISRD-UHFFFAOYSA-N 0 3 370.460 3.265 50 0 FGAAHN c1nc2c(ncnc2N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000020444026 494473659 /nfs/dbraw/zinc/47/36/59/494473659.db2.gz AJJJNTQUKUISRD-UHFFFAOYSA-N 0 3 370.460 3.265 50 0 FGAAHN Cc1ccc([C@@H](CN2CCOCC2)NCc2cc(C)c(O)c(C)c2)cc1 ZINC000022787543 494534191 /nfs/dbraw/zinc/53/41/91/494534191.db2.gz AOSWIJWFBFHYCY-OAQYLSRUSA-N 0 3 354.494 3.481 50 0 FGAAHN CN(C)Cc1ccccc1CNC(=O)c1ccccc1OC[C@@H]1CCCO1 ZINC000022872261 494539940 /nfs/dbraw/zinc/53/99/40/494539940.db2.gz NCEUMNBGPGAWMC-IBGZPJMESA-N 0 3 368.477 3.236 50 0 FGAAHN COc1ccc(CN2CCN(Cc3cccc(C)c3)C[C@@H]2CCO)cc1C ZINC000023145389 494553302 /nfs/dbraw/zinc/55/33/02/494553302.db2.gz AOWHVECTBSJSQE-QFIPXVFZSA-N 0 3 368.521 3.381 50 0 FGAAHN Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000091452312 494601742 /nfs/dbraw/zinc/60/17/42/494601742.db2.gz MVRAZXMSLIGCHL-QGZVFWFLSA-N 0 3 357.498 3.276 50 0 FGAAHN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)s1 ZINC000091519134 494612167 /nfs/dbraw/zinc/61/21/67/494612167.db2.gz 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FGAAHN Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000095383569 494970965 /nfs/dbraw/zinc/97/09/65/494970965.db2.gz XPDJLPNSRREYSF-INIZCTEOSA-N 0 3 370.888 3.093 50 0 FGAAHN CN(C(=O)CN1C[C@H]2CC[C@H](CN2Cc2ccccc2)C1)c1ccccc1 ZINC000095385952 494971901 /nfs/dbraw/zinc/97/19/01/494971901.db2.gz PPNNBYIHLUQCMM-RBBKRZOGSA-N 0 3 363.505 3.246 50 0 FGAAHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)NC1CCCCC1 ZINC000095441581 494975292 /nfs/dbraw/zinc/97/52/92/494975292.db2.gz ITEAUTZKOXDUNS-SFHVURJKSA-N 0 3 353.894 3.321 50 0 FGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cnco1 ZINC000095509180 494983329 /nfs/dbraw/zinc/98/33/29/494983329.db2.gz JWXSVCZKTWZEBE-GOSISDBHSA-N 0 3 371.481 3.100 50 0 FGAAHN COc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@H]2N(C)C)cc1 ZINC000095522882 494985993 /nfs/dbraw/zinc/98/59/93/494985993.db2.gz ZVLNHXSJGCHGGR-RBUKOAKNSA-N 0 3 364.449 3.279 50 0 FGAAHN Cc1cc(=O)oc2cc(NC(=O)N3CC(N4CCCC[C@H]4C)C3)ccc12 ZINC000095520935 494986084 /nfs/dbraw/zinc/98/60/84/494986084.db2.gz 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/nfs/dbraw/zinc/02/32/04/497023204.db2.gz ATLMTGZSLFUFEY-LJQANCHMSA-N 0 3 370.522 3.099 50 0 FGAAHN Cc1cccc(-c2ccccc2C(=O)N(C)CC2CCN(CCO)CC2)c1 ZINC000223293069 497035064 /nfs/dbraw/zinc/03/50/64/497035064.db2.gz VTOOBUYIABOZFO-UHFFFAOYSA-N 0 3 366.505 3.438 50 0 FGAAHN O=c1nc(C2CC[NH+](CCCSc3ccccc3Cl)CC2)[nH][n-]1 ZINC000225518653 497065770 /nfs/dbraw/zinc/06/57/70/497065770.db2.gz XSPGHQWVQCFKNH-UHFFFAOYSA-N 0 3 352.891 3.113 50 0 FGAAHN COc1c[nH]c(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1=O ZINC000252482182 497302263 /nfs/dbraw/zinc/30/22/63/497302263.db2.gz DAECCFNGDYGVLU-AWEZNQCLSA-N 0 3 352.438 3.127 50 0 FGAAHN CN(Cc1ccccc1)C(=O)CCN1CCC(O)(c2ccccc2)CC1 ZINC000252491601 497305184 /nfs/dbraw/zinc/30/51/84/497305184.db2.gz LOJKDYNUWNLFTA-UHFFFAOYSA-N 0 3 352.478 3.019 50 0 FGAAHN Cc1cc(-n2cccn2)ccc1CN1CCCN(C(=O)C2CCC2)CC1 ZINC000244817132 497371242 /nfs/dbraw/zinc/37/12/42/497371242.db2.gz SUTUKDYNCQHUNJ-UHFFFAOYSA-N 0 3 352.482 3.015 50 0 FGAAHN CN(C)CCNCc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261491663 497414796 /nfs/dbraw/zinc/41/47/96/497414796.db2.gz BRCQJVHRKCIPGD-UHFFFAOYSA-N 0 3 369.900 3.298 50 0 FGAAHN COCc1ccc(NC(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000193884290 497510549 /nfs/dbraw/zinc/51/05/49/497510549.db2.gz RGCHDNLNLAJHAZ-LJQANCHMSA-N 0 3 353.466 3.477 50 0 FGAAHN CSCCN1CCC(NC(=O)c2cccc(-c3c(C)n[nH]c3C)c2)CC1 ZINC000299759488 497913059 /nfs/dbraw/zinc/91/30/59/497913059.db2.gz SLLWDNIXOLTPPA-UHFFFAOYSA-N 0 3 372.538 3.251 50 0 FGAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3cnn(-c4ccccc4F)c3)[C@H]2C1 ZINC000299759907 497915806 /nfs/dbraw/zinc/91/58/06/497915806.db2.gz OVQCPJDVHMVIBB-FFZOFVMBSA-N 0 3 359.445 3.170 50 0 FGAAHN CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000299763108 497916093 /nfs/dbraw/zinc/91/60/93/497916093.db2.gz GSXHQFCPGIANPH-MOPGFXCFSA-N 0 3 370.497 3.013 50 0 FGAAHN C[C@H]1CCCCN1Cc1cccc(NC(=O)NCCN2CCCCC2=O)c1 ZINC000299766824 497916651 /nfs/dbraw/zinc/91/66/51/497916651.db2.gz FYYLNDLWFPUARG-KRWDZBQOSA-N 0 3 372.513 3.195 50 0 FGAAHN CCc1nccn1CC(=O)N1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000299769923 497918984 /nfs/dbraw/zinc/91/89/84/497918984.db2.gz KHRWZJNIUUDTIW-INIZCTEOSA-N 0 3 355.417 3.215 50 0 FGAAHN O=C(CSCCN1CCCC1)N[C@@H](c1ccncc1)c1ccc(F)cc1 ZINC000299776082 497920182 /nfs/dbraw/zinc/92/01/82/497920182.db2.gz NIDQDAQCAKDQNR-HXUWFJFHSA-N 0 3 373.497 3.255 50 0 FGAAHN Cc1nccn1CC[C@H](NC(=O)CN1CCCCCC1)c1ccccc1 ZINC000299789552 497923968 /nfs/dbraw/zinc/92/39/68/497923968.db2.gz XBBPTOOQEAAKJP-FQEVSTJZSA-N 0 3 354.498 3.315 50 0 FGAAHN Cc1ccncc1S(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000332540679 498719747 /nfs/dbraw/zinc/71/97/47/498719747.db2.gz WSHZOBRKZAIDOK-HKUYNNGSSA-N 0 3 373.522 3.064 50 0 FGAAHN O=C(c1ccc(-c2cc(F)c(F)cc2[O-])cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426517532 500283695 /nfs/dbraw/zinc/28/36/95/500283695.db2.gz DZVKPMZMDRNIRS-OAHLLOKOSA-N 0 3 358.388 3.258 50 0 FGAAHN O=C(c1ccc(-c2cc(F)c(F)cc2[O-])cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000426517532 500283697 /nfs/dbraw/zinc/28/36/97/500283697.db2.gz DZVKPMZMDRNIRS-OAHLLOKOSA-N 0 3 358.388 3.258 50 0 FGAAHN CCN1CCCC[C@H]1CNC(=O)N(CCOC)Cc1sccc1C ZINC000426535574 500286321 /nfs/dbraw/zinc/28/63/21/500286321.db2.gz AGTKXJYYRYEVNO-INIZCTEOSA-N 0 3 353.532 3.089 50 0 FGAAHN Nc1cccc(-c2cccc(C(=O)N3CCCN(C4CCCC4)CC3)c2)n1 ZINC000426535579 500286350 /nfs/dbraw/zinc/28/63/50/500286350.db2.gz ARCGGXCFJSKWEZ-UHFFFAOYSA-N 0 3 364.493 3.421 50 0 FGAAHN Cc1cc(CN(C)C(=O)NCCN2CCC[C@@H](c3ccccc3)C2)ccn1 ZINC000426589786 500292406 /nfs/dbraw/zinc/29/24/06/500292406.db2.gz NNFIJJFKRVNPDQ-OAQYLSRUSA-N 0 3 366.509 3.411 50 0 FGAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ncccc2F)cc1 ZINC000426618369 500295204 /nfs/dbraw/zinc/29/52/04/500295204.db2.gz PLXHOWQAVJLJQT-SFHVURJKSA-N 0 3 371.456 3.071 50 0 FGAAHN COCCN1CC[C@H](CNC(=O)N2CCC(CCc3ccccc3)CC2)C1 ZINC000426667411 500304561 /nfs/dbraw/zinc/30/45/61/500304561.db2.gz IHPVCUBOMVGMEC-OAQYLSRUSA-N 0 3 373.541 3.009 50 0 FGAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)N(C)Cc2cscn2)C1 ZINC000426683988 500306576 /nfs/dbraw/zinc/30/65/76/500306576.db2.gz WIPQGPOABOUSDV-INIZCTEOSA-N 0 3 358.511 3.082 50 0 FGAAHN CCC[C@@H](CNC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1)N(C)C ZINC000534662134 504208071 /nfs/dbraw/zinc/20/80/71/504208071.db2.gz BBSUDKVCAXSTBD-KRWDZBQOSA-N 0 3 361.465 3.088 50 0 FGAAHN Cc1ccc([C@@H](CNC(=O)N(C)Cc2cc[nH]n2)N2CCC(C)CC2)cc1 ZINC000534666206 504209214 /nfs/dbraw/zinc/20/92/14/504209214.db2.gz ATPZEEXCAYGPFG-HXUWFJFHSA-N 0 3 369.513 3.333 50 0 FGAAHN CC(C)N1CCC[C@@H]1CNC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584902442 507563944 /nfs/dbraw/zinc/56/39/44/507563944.db2.gz WZLSUSNJYWXNAE-GOSISDBHSA-N 0 3 373.476 3.230 50 0 FGAAHN CC(C)(C)[C@@H]1CCCN(CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000078759004 518938229 /nfs/dbraw/zinc/93/82/29/518938229.db2.gz ANLWXCJPUVXDTG-CQSZACIVSA-N 0 3 351.516 3.222 50 0 FGAAHN CC(C)(C)[C@H]1CCCN(CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000078759014 518974886 /nfs/dbraw/zinc/97/48/86/518974886.db2.gz 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CCn1ccc2c1cccc2CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000215646664 206349091 /nfs/dbraw/zinc/34/90/91/206349091.db2.gz ZNYWYJSYOHHCHD-FQEVSTJZSA-N 0 3 352.482 3.340 50 0 FGAAHN c1cc(CN2CCN(Cc3cccnc3)CC2)sc1CN1CCCCC1 ZINC000215760096 206350415 /nfs/dbraw/zinc/35/04/15/206350415.db2.gz GACXZEGKXSLTEQ-UHFFFAOYSA-N 0 3 370.566 3.447 50 0 FGAAHN CC(C)N1CCN(Cc2cccc(OCCCn3ccnc3)c2)C[C@@H]1C ZINC000216221415 206355980 /nfs/dbraw/zinc/35/59/80/206355980.db2.gz KNMGTIFMSXDMCQ-IBGZPJMESA-N 0 3 356.514 3.267 50 0 FGAAHN COc1ccc([C@@]2(C(=O)N3CCN(c4ccncc4)CC3)CC2(C)C)cc1 ZINC000215521133 132270313 /nfs/dbraw/zinc/27/03/13/132270313.db2.gz WRTUUQUWFHSKMP-JOCHJYFZSA-N 0 3 365.477 3.107 50 0 FGAAHN CCCc1nc2oc3c(ncnc3N3CCNCC3)c2c2c1CCCC2 ZINC000002228624 132382792 /nfs/dbraw/zinc/38/27/92/132382792.db2.gz YTLFOWGTHCFXSS-UHFFFAOYSA-N 0 3 351.454 3.012 50 0 FGAAHN CCOc1ccc(C(=O)NCC2(N3CCN(CC)CC3)CCCCC2)cc1 ZINC000028293562 493783954 /nfs/dbraw/zinc/78/39/54/493783954.db2.gz ULUOSZUDUXISJZ-UHFFFAOYSA-N 0 3 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O=C1Nc2ccccc2[C@]12CCCN(Cc1cc(-c3ccccn3)no1)C2 ZINC000072122213 494128523 /nfs/dbraw/zinc/12/85/23/494128523.db2.gz WJVWAWLZTGUYLQ-OAQYLSRUSA-N 0 3 360.417 3.223 50 0 FGAAHN CC(C)[C@@H](CNC(=O)c1cccc(C[S@@](C)=O)c1)N1CCC(C)CC1 ZINC000040089273 494131029 /nfs/dbraw/zinc/13/10/29/494131029.db2.gz FFBWWPJUWMLVTG-CLOONOSVSA-N 0 3 364.555 3.051 50 0 FGAAHN CC(C)Cc1ccc(C(=O)N2CCC[C@H](N3CCC(CO)CC3)C2)cc1 ZINC000072129559 494131024 /nfs/dbraw/zinc/13/10/24/494131024.db2.gz IFPDCVYDDPXLSN-NRFANRHFSA-N 0 3 358.526 3.194 50 0 FGAAHN Fc1ccc(-n2cccn2)c(CN2CCCN(Cc3cccnc3)CC2)c1 ZINC000072153295 494137272 /nfs/dbraw/zinc/13/72/72/494137272.db2.gz JHYHELLGXWNDMQ-UHFFFAOYSA-N 0 3 365.456 3.114 50 0 FGAAHN CC(C)c1ccc(CN2CCC[C@@]3(CCN(S(C)(=O)=O)C3)C2)cc1 ZINC000072159174 494138429 /nfs/dbraw/zinc/13/84/29/494138429.db2.gz IKWPTVGJSGQMDK-LJQANCHMSA-N 0 3 350.528 3.058 50 0 FGAAHN c1c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nn2c1CNCCC2 ZINC000072168193 494141706 /nfs/dbraw/zinc/14/17/06/494141706.db2.gz 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ZINC000072431086 494172935 /nfs/dbraw/zinc/17/29/35/494172935.db2.gz NQASQGMIZKMPOH-NRFANRHFSA-N 0 3 366.505 3.394 50 0 FGAAHN O=C(NC[C@@H]1CNCCO1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000072475180 494180191 /nfs/dbraw/zinc/18/01/91/494180191.db2.gz DTOVBWPDCKESMX-HNNXBMFYSA-N 0 3 369.852 3.207 50 0 FGAAHN COc1cc(/C=C/CN2CCC[C@H](CNC(=O)c3ccco3)C2)ccc1O ZINC000011816226 494192449 /nfs/dbraw/zinc/19/24/49/494192449.db2.gz VWJCBUUYMLPWFX-WAUBUAMCSA-N 0 3 370.449 3.149 50 0 FGAAHN CCCC[C@H]1CN(CCC(=O)NCCCOCC)Cc2ccccc2O1 ZINC000011840030 494193536 /nfs/dbraw/zinc/19/35/36/494193536.db2.gz ZEGSYEXAISEJQP-IBGZPJMESA-N 0 3 362.514 3.373 50 0 FGAAHN OCCOc1ccccc1CN1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000011841611 494193795 /nfs/dbraw/zinc/19/37/95/494193795.db2.gz LUELLEGLYPPFCN-QGZVFWFLSA-N 0 3 362.420 3.412 50 0 FGAAHN CCCC[C@@H]1CN(CCC(=O)N[C@@H](CC)COC)Cc2ccccc2O1 ZINC000012164561 494210280 /nfs/dbraw/zinc/21/02/80/494210280.db2.gz GUIASCYHKRRLRE-RBUKOAKNSA-N 0 3 362.514 3.371 50 0 FGAAHN 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ZINC000095465704 494977664 /nfs/dbraw/zinc/97/76/64/494977664.db2.gz VEDQLMFWPKRPLF-OALUTQOASA-N 0 3 368.456 3.280 50 0 FGAAHN C[C@]1(COC(=O)c2cnn3cccnc23)CCCCN1Cc1ccccc1 ZINC000095469300 494978467 /nfs/dbraw/zinc/97/84/67/494978467.db2.gz RPNJFCAVJIHNEZ-OAQYLSRUSA-N 0 3 364.449 3.331 50 0 FGAAHN O=C(NCc1nnc2ccccn21)Nc1ccccc1CN1CCCCC1 ZINC000095497050 494980495 /nfs/dbraw/zinc/98/04/95/494980495.db2.gz DFCAFACNMSTGCO-UHFFFAOYSA-N 0 3 364.453 3.037 50 0 FGAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000095499696 494981126 /nfs/dbraw/zinc/98/11/26/494981126.db2.gz KDFPYMHUMXRNNT-UHFFFAOYSA-N 0 3 366.918 3.179 50 0 FGAAHN CN(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095507150 494982798 /nfs/dbraw/zinc/98/27/98/494982798.db2.gz NHXMIJFETGDJCW-UHFFFAOYSA-N 0 3 352.478 3.474 50 0 FGAAHN CC[C@@H](C)n1nc(C)cc1NC(=O)N1CCC(N2CCSCC2)CC1 ZINC000095515356 494984410 /nfs/dbraw/zinc/98/44/10/494984410.db2.gz CWDBEJLKNUNSOI-OAHLLOKOSA-N 0 3 365.547 3.208 50 0 FGAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095517998 494985716 /nfs/dbraw/zinc/98/57/16/494985716.db2.gz FLBHCPWOFNPCEE-OALUTQOASA-N 0 3 370.453 3.103 50 0 FGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ncoc2C)C1 ZINC000095521771 494986754 /nfs/dbraw/zinc/98/67/54/494986754.db2.gz QRSGEGUTQAPEHC-KRWDZBQOSA-N 0 3 371.481 3.018 50 0 FGAAHN CN1CCc2[nH]nc(-c3nc(-c4ccncc4)nn3C3CCCCC3)c2C1 ZINC000096141746 495004482 /nfs/dbraw/zinc/00/44/82/495004482.db2.gz WCNJLGPMHBBRGG-UHFFFAOYSA-N 0 3 363.469 3.223 50 0 FGAAHN COc1ccccc1-n1nc(CC2CCN(C)CC2)nc1[C@@]1(C)CCCO1 ZINC000096150756 495004553 /nfs/dbraw/zinc/00/45/53/495004553.db2.gz IRGAOTOLNBWYQY-OAQYLSRUSA-N 0 3 370.497 3.186 50 0 FGAAHN O=C(NCCN1CCCCC1)[C@@H](Cc1ccc(O)cc1)c1ccccc1 ZINC000096151712 495004911 /nfs/dbraw/zinc/00/49/11/495004911.db2.gz NGGADQAWXHMCRI-NRFANRHFSA-N 0 3 352.478 3.321 50 0 FGAAHN Cc1ccc([C@H](CNC(=O)c2cccnc2C(F)(F)F)N(C)C)cc1 ZINC000097032173 495019954 /nfs/dbraw/zinc/01/99/54/495019954.db2.gz 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O=C(CNCCc1ccc(O)cc1)Nc1c2c(nc3ccccc31)CCC2 ZINC000013042910 494277053 /nfs/dbraw/zinc/27/70/53/494277053.db2.gz JDEQXINHCBAAGG-UHFFFAOYSA-N 0 3 361.445 3.200 50 0 FGAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000013678792 494293676 /nfs/dbraw/zinc/29/36/76/494293676.db2.gz GTTQVNRGVMOSSM-UHFFFAOYSA-N 0 3 367.468 3.384 50 0 FGAAHN CN(C)[C@@H](CNC(=O)c1cccnc1SC(F)F)c1ccccc1 ZINC000014111537 494303990 /nfs/dbraw/zinc/30/39/90/494303990.db2.gz CAKPIJXVYCLHHF-AWEZNQCLSA-N 0 3 351.422 3.429 50 0 FGAAHN c1nnc(CC2CCN(Cc3ccc4nonc4c3)CC2)n1-c1ccccc1 ZINC000055166748 494308790 /nfs/dbraw/zinc/30/87/90/494308790.db2.gz ZVAJPZZSGWYAPJ-UHFFFAOYSA-N 0 3 374.448 3.258 50 0 FGAAHN C[C@H]1Sc2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2NC1=O ZINC000014252255 494312802 /nfs/dbraw/zinc/31/28/02/494312802.db2.gz KHGUPVWSMILSIM-DYVFJYSZSA-N 0 3 369.490 3.152 50 0 FGAAHN Cc1ccccc1CN(CCN(C)C)Cc1cnc(-c2ccccn2)nc1 ZINC000055327588 494328356 /nfs/dbraw/zinc/32/83/56/494328356.db2.gz MKBZQJJJPGGHOK-UHFFFAOYSA-N 0 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350.422 3.099 50 0 FGAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccncc2)C1 ZINC000014971796 494331268 /nfs/dbraw/zinc/33/12/68/494331268.db2.gz UUNCBSYIZKFKER-GOSISDBHSA-N 0 3 367.493 3.117 50 0 FGAAHN Cc1cccc(-c2ncc(CNC[C@@H]3CCCN(C(=O)C(C)C)C3)cn2)c1 ZINC000055370979 494333939 /nfs/dbraw/zinc/33/39/39/494333939.db2.gz BKDKBOKCPVCCSV-SFHVURJKSA-N 0 3 366.509 3.436 50 0 FGAAHN COc1cc(OC)cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000016603986 494395911 /nfs/dbraw/zinc/39/59/11/494395911.db2.gz CBCISEXIJPDIBB-UHFFFAOYSA-N 0 3 354.450 3.098 50 0 in-vivo FGAAHN C[C@@H]1CN(CCCCNc2nn3cc(C(C)(C)C)nc3s2)C[C@H](C)O1 ZINC000079063630 494398326 /nfs/dbraw/zinc/39/83/26/494398326.db2.gz CAKZVZZGLGSPDN-OKILXGFUSA-N 0 3 365.547 3.390 50 0 FGAAHN Cc1ccc(C)c(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000018223098 494429196 /nfs/dbraw/zinc/42/91/96/494429196.db2.gz WKCRJEVLTKCATR-IBGZPJMESA-N 0 3 361.445 3.249 50 0 FGAAHN COc1cc(CN(CCN(C)C)Cc2ccccc2)cc(OC)c1OC ZINC000019359540 494443743 /nfs/dbraw/zinc/44/37/43/494443743.db2.gz CIBLLGVAAXACPQ-UHFFFAOYSA-N 0 3 358.482 3.276 50 0 FGAAHN C[C@@H](Cc1ccsc1)NCc1c(C(=O)N2CCCC2)nc2sccn12 ZINC000020600624 494476981 /nfs/dbraw/zinc/47/69/81/494476981.db2.gz HUJNYVZHECWBPW-ZDUSSCGKSA-N 0 3 374.535 3.414 50 0 FGAAHN C[C@@H]1CN([C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000020906385 494482667 /nfs/dbraw/zinc/48/26/67/494482667.db2.gz INAJIWAZAPJDNT-DAYGRLMNSA-N 0 3 350.890 3.330 50 0 FGAAHN Cc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(O)cc3)C2)CC1 ZINC000020906007 494482815 /nfs/dbraw/zinc/48/28/15/494482815.db2.gz MMMJRGAVMJKWDQ-OAQYLSRUSA-N 0 3 365.521 3.487 50 0 FGAAHN OCC[C@H]1CN(Cc2cccc3ncccc23)CCN1Cc1ccccc1 ZINC000020999652 494485516 /nfs/dbraw/zinc/48/55/16/494485516.db2.gz MQGDHLAOUWUUIE-NRFANRHFSA-N 0 3 361.489 3.304 50 0 FGAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccc(C)c(Cl)c1 ZINC000021868444 494508913 /nfs/dbraw/zinc/50/89/13/494508913.db2.gz PBZCKTLLNNSBFP-UHFFFAOYSA-N 0 3 362.857 3.315 50 0 FGAAHN CCc1ccc([C@H](CNC(=O)CCc2ccc3c(c2)OCO3)N(C)C)cc1 ZINC000022684597 494531558 /nfs/dbraw/zinc/53/15/58/494531558.db2.gz VXOJDANACUUBHM-IBGZPJMESA-N 0 3 368.477 3.329 50 0 FGAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000022935576 494543760 /nfs/dbraw/zinc/54/37/60/494543760.db2.gz LHKHANAQZQZTPA-SFHVURJKSA-N 0 3 364.921 3.364 50 0 FGAAHN CC(C)c1cc(C2CCN(CCn3c4ccccc4oc3=O)CC2)n[nH]1 ZINC000067459634 494545472 /nfs/dbraw/zinc/54/54/72/494545472.db2.gz QQIZRGUGQOXTOA-UHFFFAOYSA-N 0 3 354.454 3.321 50 0 FGAAHN CC(C)c1cc(C2CCN(CCn3c4ccccc4oc3=O)CC2)[nH]n1 ZINC000067459634 494545475 /nfs/dbraw/zinc/54/54/75/494545475.db2.gz QQIZRGUGQOXTOA-UHFFFAOYSA-N 0 3 354.454 3.321 50 0 FGAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1c(F)cccc1F ZINC000023354625 494562248 /nfs/dbraw/zinc/56/22/48/494562248.db2.gz JNWZUQDNRFTBSJ-UHFFFAOYSA-N 0 3 359.420 3.111 50 0 FGAAHN CC(C)c1ccc(CN2CCC[C@](O)(CNCc3ccccc3)C2=O)cc1 ZINC000067714481 494622726 /nfs/dbraw/zinc/62/27/26/494622726.db2.gz BBGSTWKGUMLTGP-QHCPKHFHSA-N 0 3 366.505 3.453 50 0 FGAAHN COc1ccccc1Oc1ncccc1CNC(=O)[C@H](N)CC(C)(C)C ZINC000067725168 494624549 /nfs/dbraw/zinc/62/45/49/494624549.db2.gz JJHYSOFEEOJVHN-OAHLLOKOSA-N 0 3 357.454 3.262 50 0 FGAAHN NC(=O)c1ccc2[nH]c(CN3CC[C@@H](c4ccccc4F)C3)cc(=O)c2c1 ZINC000091665502 494638842 /nfs/dbraw/zinc/63/88/42/494638842.db2.gz SGWAGBMIZJDQHT-CQSZACIVSA-N 0 3 365.408 3.168 50 0 FGAAHN COC(=O)c1cccc(CN2CCC(c3nc4cccc(C)c4[nH]3)CC2)n1 ZINC000067804561 494651470 /nfs/dbraw/zinc/65/14/70/494651470.db2.gz PHFSEAPCUAZAMG-UHFFFAOYSA-N 0 3 364.449 3.433 50 0 FGAAHN Cc1nc([C@@H](C)Nc2nc(-c3ccncc3)nc3c2CCNC3)cs1 ZINC000067841638 494663910 /nfs/dbraw/zinc/66/39/10/494663910.db2.gz CFIHVSXVJVTANQ-LLVKDONJSA-N 0 3 352.467 3.122 50 0 FGAAHN C[C@@H]1CN(CCOc2ccc(Cl)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091745895 494664476 /nfs/dbraw/zinc/66/44/76/494664476.db2.gz SOUILVCWEPBHRB-BEFAXECRSA-N 0 3 353.890 3.218 50 0 FGAAHN CC[C@H]1CCCCN1CCNC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000075105188 494691395 /nfs/dbraw/zinc/69/13/95/494691395.db2.gz CYIVDQIFBCZBCZ-OXJNMPFZSA-N 0 3 367.534 3.014 50 0 FGAAHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C[C@@H]1C=CCC1 ZINC000075106378 494691618 /nfs/dbraw/zinc/69/16/18/494691618.db2.gz DIPXIDICAGVYCO-NQIIRXRSSA-N 0 3 356.510 3.247 50 0 FGAAHN C[C@@H]1CCC[C@H](c2ccccc2)N1CC(=O)NC1CCN(C2CC2)CC1 ZINC000075109363 494692292 /nfs/dbraw/zinc/69/22/92/494692292.db2.gz YEUOFQLSMOLHEM-DYESRHJHSA-N 0 3 355.526 3.345 50 0 FGAAHN CC(=O)OC12C[C@@H]3C[C@H](C1)CC(c1nc(CC4CCN(C)CC4)no1)(C3)C2 ZINC000067954941 494706981 /nfs/dbraw/zinc/70/69/81/494706981.db2.gz FMCYCMURBRJWIH-AGXSTUJCSA-N 0 3 373.497 3.107 50 0 FGAAHN C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027573541 494874452 /nfs/dbraw/zinc/87/44/52/494874452.db2.gz GVZUQRXCNVSYKM-ZWKOTPCHSA-N 0 3 357.498 3.128 50 0 FGAAHN COc1ccc(OCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027604606 494876371 /nfs/dbraw/zinc/87/63/71/494876371.db2.gz YLHWCOXNVFVUQR-KRWDZBQOSA-N 0 3 360.479 3.089 50 0 FGAAHN CCOC(=O)NCCCCCN1CCN(c2ccccc2SC)CC1 ZINC000096026660 494997281 /nfs/dbraw/zinc/99/72/81/494997281.db2.gz FDTUCIVPNBDBLI-UHFFFAOYSA-N 0 3 365.543 3.447 50 0 FGAAHN CCCN(C(=O)NC[C@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000106642777 495481119 /nfs/dbraw/zinc/48/11/19/495481119.db2.gz NSQKOKWQDHKEHJ-VQTJNVASSA-N 0 3 359.514 3.252 50 0 FGAAHN CC(C)N1CCC[C@H](NCC2(c3ccccc3Cl)CCOCC2)C1=O ZINC000175008387 496204967 /nfs/dbraw/zinc/20/49/67/496204967.db2.gz CVYDBZHSZCGCCI-SFHVURJKSA-N 0 3 364.917 3.377 50 0 FGAAHN Fc1cc(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)ccc1Cl ZINC000192013119 496964429 /nfs/dbraw/zinc/96/44/29/496964429.db2.gz GYJHRCNELMWRKS-CYBMUJFWSA-N 0 3 364.852 3.275 50 0 FGAAHN Fc1ccc(-c2n[nH]cc2CN2CCCN(Cc3ccncc3)CC2)cc1 ZINC000215101835 496977642 /nfs/dbraw/zinc/97/76/42/496977642.db2.gz AGDFOMYXAVEMIE-UHFFFAOYSA-N 0 3 365.456 3.319 50 0 FGAAHN COc1cc(OC)c(CN(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1Cl ZINC000215394291 496981114 /nfs/dbraw/zinc/98/11/14/496981114.db2.gz 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497368204 /nfs/dbraw/zinc/36/82/04/497368204.db2.gz NSVJOZVZDTWNML-WIYYLYMNSA-N 0 3 357.498 3.162 50 0 FGAAHN CCOc1ccc(CN2C[C@@H](c3ccncc3)[C@H](CO)C2)cc1OCC ZINC000257194441 497389471 /nfs/dbraw/zinc/38/94/71/497389471.db2.gz UBEBQWXNLUQCFX-OALUTQOASA-N 0 3 356.466 3.087 50 0 FGAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000299755676 497913641 /nfs/dbraw/zinc/91/36/41/497913641.db2.gz BMUOXXAHFVVTBR-IBGZPJMESA-N 0 3 369.513 3.192 50 0 FGAAHN CC[C@H](NC(=O)Nc1ccc(OC2CCN(C)CC2)cc1)c1ccnn1C ZINC000299790303 497925010 /nfs/dbraw/zinc/92/50/10/497925010.db2.gz NPCXDCLOFBQWBN-SFHVURJKSA-N 0 3 371.485 3.166 50 0 FGAAHN Brc1ccc2ncc(CN[C@H]3CCO[C@@H]3c3cccnc3)n2c1 ZINC000285158487 498008555 /nfs/dbraw/zinc/00/85/55/498008555.db2.gz UFKVDNVLRDVFTP-DOTOQJQBSA-N 0 3 373.254 3.112 50 0 FGAAHN CCOc1cc2nccc(NC[C@H](C)c3nncn3C)c2cc1OCC ZINC000286756306 498499752 /nfs/dbraw/zinc/49/97/52/498499752.db2.gz RZVBJOUBNWSDGO-ZDUSSCGKSA-N 0 3 355.442 3.376 50 0 FGAAHN Cc1cc(C)c(S(=O)(=O)NC[C@H]2CN(C)CC23CCCCC3)c(C)c1 ZINC000409420660 499596087 /nfs/dbraw/zinc/59/60/87/499596087.db2.gz DJPXZSGNWCJODF-SFHVURJKSA-N 0 3 364.555 3.402 50 0 FGAAHN Cc1cccnc1C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000426727036 500311621 /nfs/dbraw/zinc/31/16/21/500311621.db2.gz YMXGULQCVYNVSN-INIZCTEOSA-N 0 3 360.527 3.156 50 0 FGAAHN O=C(NCc1ccccc1C(F)(F)F)N1CC[C@H](N2CCCCC2)C1 ZINC000426739049 500313661 /nfs/dbraw/zinc/31/36/61/500313661.db2.gz MUILMBMXKMTRCY-HNNXBMFYSA-N 0 3 355.404 3.475 50 0 FGAAHN CCc1nnc(CNC(=O)c2cccc(-c3c(C)cc(N)nc3C)c2)s1 ZINC000534656685 504206408 /nfs/dbraw/zinc/20/64/08/504206408.db2.gz BJNBIBDAVWYKBZ-UHFFFAOYSA-N 0 3 367.478 3.122 50 0 FGAAHN Cc1ccc([C@H](CNC(=O)N(C)Cc2cc[nH]n2)N2CCC(C)CC2)cc1 ZINC000534666205 504208793 /nfs/dbraw/zinc/20/87/93/504208793.db2.gz ATPZEEXCAYGPFG-FQEVSTJZSA-N 0 3 369.513 3.333 50 0 FGAAHN CN(C)[C@H](CNC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)CCO2 ZINC000090607315 522076740 /nfs/dbraw/zinc/07/67/40/522076740.db2.gz 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DACUVPHPXJZQBS-INIZCTEOSA-N 0 3 372.538 3.186 50 0 FGAAHN Cc1cccc2cc(C(=O)N3CCCO[C@H](CN4CCCCC4)C3)n(C)c21 ZINC000095372126 209034922 /nfs/dbraw/zinc/03/49/22/209034922.db2.gz XLEZQEIKTYEJAV-LJQANCHMSA-N 0 3 369.509 3.204 50 0 FGAAHN CCn1nc(C)c(CN2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c1C ZINC000095383033 209041687 /nfs/dbraw/zinc/04/16/87/209041687.db2.gz VTUBGAUMWACMNE-IBGZPJMESA-N 0 3 366.509 3.158 50 0 FGAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccc(Cl)s1 ZINC000095446105 209050908 /nfs/dbraw/zinc/05/09/08/209050908.db2.gz SXESVJGLBJQCTP-GJZGRUSLSA-N 0 3 364.898 3.014 50 0 FGAAHN Cc1ccc([C@@H]2CN(C(=O)CCc3ccc(O)cc3)C[C@H]2N(C)C)cc1 ZINC000095501734 209063292 /nfs/dbraw/zinc/06/32/92/209063292.db2.gz YJKOJCDTZCFQHU-LEWJYISDSA-N 0 3 352.478 3.189 50 0 FGAAHN O=C(NCc1c[nH]nc1-c1cccs1)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095511058 209069180 /nfs/dbraw/zinc/06/91/80/209069180.db2.gz LIIPDAJRCQEZSL-CQSZACIVSA-N 0 3 370.478 3.260 50 0 FGAAHN O=C1CC2(CN1Cc1ccc(F)c(F)c1)CCN(c1ccncc1)CC2 ZINC000091604351 132202535 /nfs/dbraw/zinc/20/25/35/132202535.db2.gz CEZHXYBKRAXUEY-UHFFFAOYSA-N 0 3 357.404 3.379 50 0 FGAAHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@H]3c3ccco3)CC2)c1 ZINC000095363884 132208078 /nfs/dbraw/zinc/20/80/78/132208078.db2.gz ODKQTMJGQKAJDV-FQEVSTJZSA-N 0 3 367.493 3.464 50 0 FGAAHN CC(C)(O)CN1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000225535869 132285277 /nfs/dbraw/zinc/28/52/77/132285277.db2.gz HMGIYWKUZMHWDM-UHFFFAOYSA-N 0 3 368.506 3.251 50 0 FGAAHN CCSc1nc2sc3c(c2c(N2CCNCC2)n1)CC(C)(C)OC3 ZINC000002439787 132383446 /nfs/dbraw/zinc/38/34/46/132383446.db2.gz VLILIFBANMKCMB-UHFFFAOYSA-N 0 3 364.540 3.064 50 0 FGAAHN O=C(Cc1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000004712160 132824126 /nfs/dbraw/zinc/82/41/26/132824126.db2.gz PWMGGTUTVOKGOM-UHFFFAOYSA-N 0 3 363.505 3.042 50 0 FGAAHN c1ccc(Cc2noc(-c3ccc(N4CCN5CCC[C@@H]5C4)nc3)n2)cc1 ZINC000039356395 136118981 /nfs/dbraw/zinc/11/89/81/136118981.db2.gz WEQVBFKCJIRKQH-GOSISDBHSA-N 0 3 361.449 3.007 50 0 FGAAHN CCCCN1CCN(C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000063855474 136132973 /nfs/dbraw/zinc/13/29/73/136132973.db2.gz JXDFNWSNLGAHQK-UHFFFAOYSA-N 0 3 367.541 3.259 50 0 FGAAHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccccc1Br ZINC000070928665 136138588 /nfs/dbraw/zinc/13/85/88/136138588.db2.gz RLYONZWLJONWFS-UHFFFAOYSA-N 0 3 374.282 3.491 50 0 FGAAHN Cc1cccc(N2CCC(N3CCC[C@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072476603 136149401 /nfs/dbraw/zinc/14/94/01/136149401.db2.gz HULWWHSDXFSATG-NRFANRHFSA-N 0 3 357.498 3.189 50 0 FGAAHN CC(C)CN(CC(C)C)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O ZINC000009365349 263360929 /nfs/dbraw/zinc/36/09/29/263360929.db2.gz WVDBYCLUBRJMPP-IBGZPJMESA-N 0 3 367.440 3.303 50 0 FGAAHN Cc1noc(C)c1CN(C)C(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000426473333 263596727 /nfs/dbraw/zinc/59/67/27/263596727.db2.gz ATHNSNZYYKYVMQ-SFHVURJKSA-N 0 3 370.497 3.231 50 0 FGAAHN COCCN1CC[C@H](CNC(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000068524018 493832922 /nfs/dbraw/zinc/83/29/22/493832922.db2.gz BJRIWMLHIAZMGO-QGZVFWFLSA-N 0 3 353.466 3.443 50 0 FGAAHN CCN1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1 ZINC000004739331 493891390 /nfs/dbraw/zinc/89/13/90/493891390.db2.gz FLABPBWIAMSXCA-UHFFFAOYSA-N 0 3 367.493 3.463 50 0 FGAAHN O=c1nc2n(CCN3CCCCC3)c3ccccc3n2nc1-c1ccccc1 ZINC000051325928 493961852 /nfs/dbraw/zinc/96/18/52/493961852.db2.gz OFKSFYPRQLWPKB-UHFFFAOYSA-N 0 3 373.460 3.197 50 0 FGAAHN Cc1scc(C(=O)NCc2cc3n(n2)CCCNC3)c1-c1ccccc1 ZINC000082148345 493980948 /nfs/dbraw/zinc/98/09/48/493980948.db2.gz DZDADHJMCIRWPH-UHFFFAOYSA-N 0 3 366.490 3.343 50 0 FGAAHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000032929729 494029352 /nfs/dbraw/zinc/02/93/52/494029352.db2.gz JVXRVKYDCYTTEA-CQSZACIVSA-N 0 3 351.512 3.346 50 0 FGAAHN COc1cc2c(cc1CN1CCCC[C@H]1CCc1nccn1C)OCO2 ZINC000077302319 494051887 /nfs/dbraw/zinc/05/18/87/494051887.db2.gz JZGKYSVZCGDIKR-INIZCTEOSA-N 0 3 357.454 3.145 50 0 FGAAHN CC(C)n1cc(C(=O)N2CCCN(CCCc3ccccc3)CC2)cn1 ZINC000077356636 494066501 /nfs/dbraw/zinc/06/65/01/494066501.db2.gz WXZTZLSHIWDRDW-UHFFFAOYSA-N 0 3 354.498 3.245 50 0 FGAAHN Cc1ccc2[nH]c(=O)c(CN3CCC(OCc4ccccn4)CC3)cc2c1 ZINC000071278729 494089784 /nfs/dbraw/zinc/08/97/84/494089784.db2.gz BGMJMVDVMSSDCP-UHFFFAOYSA-N 0 3 363.461 3.413 50 0 FGAAHN CCn1nc(C(C)C)cc1C(=O)N(Cc1ccncc1)C1CCN(C)CC1 ZINC000077470869 494089695 /nfs/dbraw/zinc/08/96/95/494089695.db2.gz RDRUGJYXMGGHEA-UHFFFAOYSA-N 0 3 369.513 3.158 50 0 FGAAHN O=C(CC1C(=O)Nc2c(-c3ccccc3)cnn21)Nc1ccc(F)cc1 ZINC000071384815 494092336 /nfs/dbraw/zinc/09/23/36/494092336.db2.gz VHQDTHYKGOWBLK-MRXNPFEDSA-N 0 3 350.353 3.211 50 0 FGAAHN CCNc1nc(C)c(C(=O)N2CCCN(CC3CC3)[C@@H](C(C)C)C2)s1 ZINC000071613862 494093925 /nfs/dbraw/zinc/09/39/25/494093925.db2.gz WJWIBMFMFQURJP-MRXNPFEDSA-N 0 3 364.559 3.466 50 0 FGAAHN c1ncc([C@H]2c3[nH]cnc3CCN2Cc2c[nH]nc2C2CCCCC2)[nH]1 ZINC000071551625 494094460 /nfs/dbraw/zinc/09/44/60/494094460.db2.gz CTWNDINFSMQECD-IBGZPJMESA-N 0 3 351.458 3.051 50 0 FGAAHN Cc1cnn(CC(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071681175 494095799 /nfs/dbraw/zinc/09/57/99/494095799.db2.gz YWJOQMGQMWHVCF-FQEVSTJZSA-N 0 3 372.488 3.090 50 0 FGAAHN Cc1oc(NC(=O)CN[C@H](c2ccccc2)C(C)C)c2c1c(C)n[nH]c2=O ZINC000053143393 494097161 /nfs/dbraw/zinc/09/71/61/494097161.db2.gz TZKWMWVECKEJEX-SFHVURJKSA-N 0 3 368.437 3.058 50 0 FGAAHN Fc1cccc([C@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)c1F ZINC000071755061 494097714 /nfs/dbraw/zinc/09/77/14/494097714.db2.gz OBRQJGQJLJCIQG-DUXKGJEZSA-N 0 3 355.432 3.422 50 0 FGAAHN CCn1c(CC2CCN(Cc3oc4ccccc4c3C)CC2)n[nH]c1=O ZINC000071765437 494100102 /nfs/dbraw/zinc/10/01/02/494100102.db2.gz YGEMZKQQFHTLOQ-UHFFFAOYSA-N 0 3 354.454 3.101 50 0 FGAAHN COCCCCCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071775903 494100291 /nfs/dbraw/zinc/10/02/91/494100291.db2.gz AUEVINXINNDBBE-KSEOMHKRSA-N 0 3 356.510 3.282 50 0 FGAAHN COCCN1C[C@]2(CCCN(Cc3cccc(OC(C)C)c3)C2)CCC1=O ZINC000077523886 494104636 /nfs/dbraw/zinc/10/46/36/494104636.db2.gz MUIHTKQNVIUJSZ-JOCHJYFZSA-N 0 3 374.525 3.325 50 0 FGAAHN Cc1onc(-c2ccncc2)c1C(=O)NCCCN(C)Cc1ccccc1 ZINC000064472258 494125610 /nfs/dbraw/zinc/12/56/10/494125610.db2.gz QFNPLGHDFXOCHI-UHFFFAOYSA-N 0 3 364.449 3.297 50 0 FGAAHN CS(=O)(=O)Nc1cccc(CNCc2ccc(Br)cc2)c1 ZINC000040040193 494126934 /nfs/dbraw/zinc/12/69/34/494126934.db2.gz ZTIWWTZMJNKPTK-UHFFFAOYSA-N 0 3 369.284 3.110 50 0 FGAAHN COc1cc2c(cc1CN1CCCN(Cc3cccs3)CC1)OCO2 ZINC000072125553 494129160 /nfs/dbraw/zinc/12/91/60/494129160.db2.gz IZSWHORMZVDGPC-UHFFFAOYSA-N 0 3 360.479 3.193 50 0 FGAAHN COCc1cc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)ccc1OC ZINC000072138931 494131646 /nfs/dbraw/zinc/13/16/46/494131646.db2.gz NGDBQJVHAGRNLN-JOCHJYFZSA-N 0 3 367.489 3.292 50 0 FGAAHN CC[C@H]1CN(Cc2ccccc2OCCn2ccnc2)CCN1C(C)C ZINC000072143171 494133669 /nfs/dbraw/zinc/13/36/69/494133669.db2.gz HCCHMFKZSKBGDL-FQEVSTJZSA-N 0 3 356.514 3.267 50 0 FGAAHN Cc1c2ccccc2oc1-c1noc(C(=O)NCCN2CCCCCC2)n1 ZINC000065009911 494164682 /nfs/dbraw/zinc/16/46/82/494164682.db2.gz DHLUNYBVRRXNES-UHFFFAOYSA-N 0 3 368.437 3.397 50 0 FGAAHN Cc1c2cccc(F)c2[nH]c1C(=O)N1CCC([C@@H](C)N2CCOCC2)CC1 ZINC000072409367 494166096 /nfs/dbraw/zinc/16/60/96/494166096.db2.gz IMVPCZLSQWDZTR-OAHLLOKOSA-N 0 3 373.472 3.188 50 0 FGAAHN CCCc1n[nH]cc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072425437 494170666 /nfs/dbraw/zinc/17/06/66/494170666.db2.gz MHULVBIZZJTOBP-UHFFFAOYSA-N 0 3 352.482 3.025 50 0 FGAAHN CC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CCNC3)CC1 ZINC000072428531 494172631 /nfs/dbraw/zinc/17/26/31/494172631.db2.gz HERUKMCBWZJSPN-UHFFFAOYSA-N 0 3 362.473 3.095 50 0 FGAAHN Cn1cc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c2ccccc21 ZINC000065373410 494191543 /nfs/dbraw/zinc/19/15/43/494191543.db2.gz UDUOJYBLPHFWBZ-AZUAARDMSA-N 0 3 364.445 3.257 50 0 FGAAHN CN(C)[C@H]1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000065426568 494196661 /nfs/dbraw/zinc/19/66/61/494196661.db2.gz XKIUYYFOWIXQFU-INIZCTEOSA-N 0 3 362.433 3.180 50 0 FGAAHN Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(CN(C)C)cc3)c12 ZINC000012890427 494268442 /nfs/dbraw/zinc/26/84/42/494268442.db2.gz YZBWESMNDGFWFK-UHFFFAOYSA-N 0 3 364.449 3.400 50 0 FGAAHN CC1CCN(CCNC(=O)c2cccc(OCc3cccnc3)c2)CC1 ZINC000054780165 494270335 /nfs/dbraw/zinc/27/03/35/494270335.db2.gz MZDOAWXASKJNMH-UHFFFAOYSA-N 0 3 353.466 3.122 50 0 FGAAHN O=C(c1ccco1)N1CC[C@H]2[C@H](CCCN2Cc2ccc3c(c2)OCO3)C1 ZINC000014987013 494331399 /nfs/dbraw/zinc/33/13/99/494331399.db2.gz RNQZZXLSEVOOON-SJORKVTESA-N 0 3 368.433 3.135 50 0 FGAAHN CCc1cccc(C)c1-n1nnnc1C1(NC)C2CC3CC(C2)CC1C3 ZINC000015414285 494353593 /nfs/dbraw/zinc/35/35/93/494353593.db2.gz BNIFRRWGCKVDQL-UHFFFAOYSA-N 0 3 351.498 3.404 50 0 FGAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(Cc2ccccc2)CC1 ZINC000015679246 494364881 /nfs/dbraw/zinc/36/48/81/494364881.db2.gz YYWYGTJOLINDQG-UHFFFAOYSA-N 0 3 352.463 3.096 50 0 FGAAHN CCOC(=O)c1ccc(NC(=S)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000016274690 494382202 /nfs/dbraw/zinc/38/22/02/494382202.db2.gz BGYJGDUKJAXFGL-GOSISDBHSA-N 0 3 371.506 3.453 50 0 FGAAHN CCNC(=O)N1CCc2ccc(NC(=O)[C@@H]3CCCN3C3CCCC3)cc21 ZINC000089977455 494418992 /nfs/dbraw/zinc/41/89/92/494418992.db2.gz NPFYCERSIMFNID-SFHVURJKSA-N 0 3 370.497 3.124 50 0 FGAAHN CC(C)Cc1c[nH]nc1[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000019740657 494458368 /nfs/dbraw/zinc/45/83/68/494458368.db2.gz OAWWQAHEBMNYGE-SFHVURJKSA-N 0 3 357.498 3.359 50 0 FGAAHN COc1cccc(-c2[nH]nc3c2CN([C@H](C)Cn2nc(C)cc2C)CC3)c1 ZINC000019742570 494458708 /nfs/dbraw/zinc/45/87/08/494458708.db2.gz KNMADAZOBJQXGX-MRXNPFEDSA-N 0 3 365.481 3.345 50 0 FGAAHN COc1ccc(CNC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c(OC)c1 ZINC000022787418 494535156 /nfs/dbraw/zinc/53/51/56/494535156.db2.gz YWHUNDAWXIJIEV-SFHVURJKSA-N 0 3 374.481 3.114 50 0 FGAAHN CN1CCN(CC[C@@H]2CCCCN2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000022935606 494543670 /nfs/dbraw/zinc/54/36/70/494543670.db2.gz HHVHVGYARCDIOQ-SFHVURJKSA-N 0 3 364.921 3.364 50 0 FGAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1F ZINC000023039749 494547727 /nfs/dbraw/zinc/54/77/27/494547727.db2.gz WTZLCAOPPXVVOC-UHFFFAOYSA-N 0 3 359.420 3.111 50 0 FGAAHN COc1cc(C(C)=O)ccc1OC[C@H](O)CN[C@@H](c1ccccc1)C1CC1 ZINC000023678776 494574979 /nfs/dbraw/zinc/57/49/79/494574979.db2.gz PNPNPQJDGMFNNW-KNQAVFIVSA-N 0 3 369.461 3.378 50 0 FGAAHN CN(Cc1cccc(O)c1)C[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067605062 494580492 /nfs/dbraw/zinc/58/04/92/494580492.db2.gz KHZYJMFRSFIZSK-JOCHJYFZSA-N 0 3 374.525 3.148 50 0 FGAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(C)cc3C)CC2)nc(C)n1 ZINC000067622853 494589175 /nfs/dbraw/zinc/58/91/75/494589175.db2.gz GKBPDTZUVSNLKA-UHFFFAOYSA-N 0 3 368.485 3.188 50 0 FGAAHN CN1CCC(N2CCOc3c(O)cc(-c4ccc(Cl)cn4)cc3C2)CC1 ZINC000067675310 494605550 /nfs/dbraw/zinc/60/55/50/494605550.db2.gz QWBSMNRJTPUTEG-UHFFFAOYSA-N 0 3 373.884 3.396 50 0 FGAAHN C[C@@H](C1CC1)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000024673235 494652704 /nfs/dbraw/zinc/65/27/04/494652704.db2.gz NOGVZOVDKHSAJG-INIZCTEOSA-N 0 3 366.461 3.332 50 0 FGAAHN 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CCN1CCC[C@H]1CNC(=O)c1nc(-c2oc3c(cccc3C)c2C)no1 ZINC000065010066 221164082 /nfs/dbraw/zinc/16/40/82/221164082.db2.gz SMGRCDGGIVHGRC-AWEZNQCLSA-N 0 3 368.437 3.314 50 0 FGAAHN Cc1noc(C)c1[C@@H]1CCCN1CCC(=O)N1CCc2ccccc2C1 ZINC000065373485 221205198 /nfs/dbraw/zinc/20/51/98/221205198.db2.gz IRXMLKYSGKSJPZ-IBGZPJMESA-N 0 3 353.466 3.403 50 0 FGAAHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000065426564 221216884 /nfs/dbraw/zinc/21/68/84/221216884.db2.gz XKIUYYFOWIXQFU-MRXNPFEDSA-N 0 3 362.433 3.180 50 0 FGAAHN O=c1c2c(ncn1Cc1cc(Cl)ccc1Cl)sc1c2CCNC1 ZINC000065425940 221217276 /nfs/dbraw/zinc/21/72/76/221217276.db2.gz UDAVCSOLYRPZTL-UHFFFAOYSA-N 0 3 366.273 3.459 50 0 FGAAHN Cc1ccc(NC(=O)CNC2CCN(Cc3cccc(O)c3)CC2)cc1C ZINC000065505513 221228439 /nfs/dbraw/zinc/22/84/39/221228439.db2.gz GAOJRTSFDPEBAJ-UHFFFAOYSA-N 0 3 367.493 3.202 50 0 FGAAHN O=C(CC1CCN(Cc2ccccc2)CC1)Nc1cnc2n1CCCC2 ZINC000067472954 221255451 /nfs/dbraw/zinc/25/54/51/221255451.db2.gz PHGMNVCIUHJSSA-UHFFFAOYSA-N 0 3 352.482 3.460 50 0 FGAAHN CCN1CCC[C@@H]1C(=O)N1CCC(c2n[nH]cc2-c2cccc(F)c2)CC1 ZINC000067674135 221267870 /nfs/dbraw/zinc/26/78/70/221267870.db2.gz ZUEIDKFEBRDRKU-LJQANCHMSA-N 0 3 370.472 3.406 50 0 FGAAHN CC(C)[C@H]1C=CCN1Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000067712959 221274273 /nfs/dbraw/zinc/27/42/73/221274273.db2.gz RJMPOWVJOAAYPZ-HXUWFJFHSA-N 0 3 363.461 3.434 50 0 FGAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc4cccnc43)cnn2c1 ZINC000067851108 221295177 /nfs/dbraw/zinc/29/51/77/221295177.db2.gz YZUPCTFHQMJFMK-UHFFFAOYSA-N 0 3 374.448 3.372 50 0 FGAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(C(C)=O)cc3)cnn2c1 ZINC000067920456 221304921 /nfs/dbraw/zinc/30/49/21/221304921.db2.gz JCFKOSZKGOVBRP-UHFFFAOYSA-N 0 3 365.437 3.026 50 0 FGAAHN COc1cccc(-c2n[nH]cc2-c2nc(CC3CCN(C)CC3)no2)c1 ZINC000067921766 221305721 /nfs/dbraw/zinc/30/57/21/221305721.db2.gz HWYXNHSDWOCQNH-UHFFFAOYSA-N 0 3 353.426 3.020 50 0 FGAAHN CC(C)(C)OC(=O)NC1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000070459691 221333019 /nfs/dbraw/zinc/33/30/19/221333019.db2.gz RBGXOFMNJBJTTH-MRXNPFEDSA-N 0 3 354.878 3.363 50 0 FGAAHN Cc1ccc(-c2ccnc(NCc3c(C)ncc4c3CCNC4)n2)c(C)n1 ZINC000071755130 221365001 /nfs/dbraw/zinc/36/50/01/221365001.db2.gz ISSDARGBZZEROX-UHFFFAOYSA-N 0 3 360.465 3.117 50 0 FGAAHN CCc1cc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)[nH]n1 ZINC000071763763 221370518 /nfs/dbraw/zinc/37/05/18/221370518.db2.gz HOEHFUPZRQCJKX-IOMROCGXSA-N 0 3 372.463 3.313 50 0 FGAAHN CCc1cc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 ZINC000071763763 221370520 /nfs/dbraw/zinc/37/05/20/221370520.db2.gz HOEHFUPZRQCJKX-IOMROCGXSA-N 0 3 372.463 3.313 50 0 FGAAHN O=C(c1cccc2c1OCC2)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072131743 221414379 /nfs/dbraw/zinc/41/43/79/221414379.db2.gz KDSPQYFLMBELKJ-BHDDXSALSA-N 0 3 374.484 3.324 50 0 FGAAHN Cc1cccc(N2CCN(CCC(=O)N3CCC[C@@H]3c3ccco3)CC2)c1 ZINC000095363883 132207971 /nfs/dbraw/zinc/20/79/71/132207971.db2.gz ODKQTMJGQKAJDV-HXUWFJFHSA-N 0 3 367.493 3.464 50 0 FGAAHN Cc1cc(C2CCC2)nc(N2CCC(c3nccn3CCN(C)C)CC2)n1 ZINC000095518950 132213989 /nfs/dbraw/zinc/21/39/89/132213989.db2.gz CZWZZZBCADIWTR-UHFFFAOYSA-N 0 3 368.529 3.195 50 0 FGAAHN Cc1cc(C)c2c(nn3c2nc(C)cc3N2CCN(C3CCCC3)CC2)n1 ZINC000002206021 132382642 /nfs/dbraw/zinc/38/26/42/132382642.db2.gz SZZCMEKWPUHIEJ-UHFFFAOYSA-N 0 3 364.497 3.267 50 0 FGAAHN Cc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)o1 ZINC000002828232 132384041 /nfs/dbraw/zinc/38/40/41/132384041.db2.gz TVFLOTWOHUGTQB-UHFFFAOYSA-N 0 3 367.493 3.149 50 0 FGAAHN Cc1c2ccccc2sc1CN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000065410641 136136347 /nfs/dbraw/zinc/13/63/47/136136347.db2.gz RYRUCEDFLNVPJS-UHFFFAOYSA-N 0 3 366.490 3.026 50 0 FGAAHN O=C(NCC1CCN(c2ccncc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000070928845 136138523 /nfs/dbraw/zinc/13/85/23/136138523.db2.gz QAQVNVBEGKRGQW-UHFFFAOYSA-N 0 3 353.441 3.285 50 0 FGAAHN c1cc2c(nc(NC3CCCC3)cc2-c2cccc(N3CCNCC3)n2)[nH]1 ZINC000072435641 136147243 /nfs/dbraw/zinc/14/72/43/136147243.db2.gz NHVQQSXLEKRGMO-UHFFFAOYSA-N 0 3 362.481 3.389 50 0 FGAAHN CN(C)CCN1CCN(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000096132216 222037917 /nfs/dbraw/zinc/03/79/17/222037917.db2.gz AEJSHEQOVJBTKM-UHFFFAOYSA-N 0 3 370.472 3.204 50 0 FGAAHN CC[NH+](CC)Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000096967752 222146638 /nfs/dbraw/zinc/14/66/38/222146638.db2.gz LFKSDONRZMQIEB-UHFFFAOYSA-N 0 3 368.449 3.285 50 0 FGAAHN c1nc(-c2ccccc2)sc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000097324076 222175334 /nfs/dbraw/zinc/17/53/34/222175334.db2.gz FPPSUXBLTRUUIK-SFHVURJKSA-N 0 3 357.523 3.497 50 0 FGAAHN Cc1cc(C(=O)N2CCC(N3CCSCC3)CC2)c2ccc(F)cc2n1 ZINC000097527906 222188809 /nfs/dbraw/zinc/18/88/09/222188809.db2.gz AHXIWQRRNXYSQR-UHFFFAOYSA-N 0 3 373.497 3.336 50 0 FGAAHN Cc1ccc(-c2cc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)[nH]n2)o1 ZINC000097641790 222201845 /nfs/dbraw/zinc/20/18/45/222201845.db2.gz GPAQPJTVHHWRPI-KRWDZBQOSA-N 0 3 364.449 3.197 50 0 FGAAHN Cc1ccc(-c2cccc(NC(=O)NCC3(O)CCN(C)CC3)c2)cc1 ZINC000097785278 222213679 /nfs/dbraw/zinc/21/36/79/222213679.db2.gz UVTPZUGYIDNJIN-UHFFFAOYSA-N 0 3 353.466 3.240 50 0 FGAAHN CN(C)C(=O)c1cccc(CN2CCCN(Cc3ccccc3F)CC2)c1 ZINC000058179754 493829923 /nfs/dbraw/zinc/82/99/23/493829923.db2.gz YGJCNUOFIWYQFA-UHFFFAOYSA-N 0 3 369.484 3.235 50 0 FGAAHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000058183940 493831114 /nfs/dbraw/zinc/83/11/14/493831114.db2.gz WUTYYUBTFWCBHS-AWEZNQCLSA-N 0 3 372.435 3.101 50 0 FGAAHN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058192001 493832151 /nfs/dbraw/zinc/83/21/51/493832151.db2.gz PEIDRQOKJZGOAP-INIZCTEOSA-N 0 3 374.506 3.164 50 0 FGAAHN CN(C)CCCNC(=O)c1cc(C(=O)c2c(Cl)cccc2Cl)c[nH]1 ZINC000004085180 493864210 /nfs/dbraw/zinc/86/42/10/493864210.db2.gz ZJKGVHZXOQSYKK-UHFFFAOYSA-N 0 3 368.264 3.234 50 0 FGAAHN CC[C@@H](CNC(=O)c1cccc(COC)c1)N1CCc2ccccc2C1 ZINC000029910284 493866248 /nfs/dbraw/zinc/86/62/48/493866248.db2.gz QWNPNZRMZSBEGB-NRFANRHFSA-N 0 3 352.478 3.400 50 0 FGAAHN CCOc1ccc(Nc2nc(C(=O)NCCN3CCCC3)cs2)cc1 ZINC000004688460 493887987 /nfs/dbraw/zinc/88/79/87/493887987.db2.gz RKDRRUDHECXFLU-UHFFFAOYSA-N 0 3 360.483 3.111 50 0 FGAAHN CC(C)Cc1nc2sc3c(ncnc3N3CCNCC3)c2c2c1CCC2 ZINC000005304314 493923803 /nfs/dbraw/zinc/92/38/03/493923803.db2.gz SNWQWVNNMMBIGU-UHFFFAOYSA-N 0 3 367.522 3.336 50 0 FGAAHN Cc1ccccc1OCCNC[C@@H](O)COc1cc(C)c(O)c(C)c1C ZINC000005711963 493940228 /nfs/dbraw/zinc/94/02/28/493940228.db2.gz YDQKDAMZENHWDH-GOSISDBHSA-N 0 3 359.466 3.034 50 0 FGAAHN O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000051229495 493954866 /nfs/dbraw/zinc/95/48/66/493954866.db2.gz SJOCLBAHPOEUHM-HSALFYBXSA-N 0 3 355.526 3.141 50 0 FGAAHN CCOc1cc2c(cc1CNC[C@@H]1COc3ccccc3O1)O[C@@H](C)C2 ZINC000006650888 493973090 /nfs/dbraw/zinc/97/30/90/493973090.db2.gz SWOXILNXJXNTST-WMLDXEAASA-N 0 3 355.434 3.338 50 0 FGAAHN CCOc1cc2c(cc1CNC[C@H]1COc3ccccc3O1)O[C@H](C)C2 ZINC000006650885 493973116 /nfs/dbraw/zinc/97/31/16/493973116.db2.gz SWOXILNXJXNTST-PBHICJAKSA-N 0 3 355.434 3.338 50 0 FGAAHN COc1ccc(C2=NN(C(=O)CNC(C)(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000032651993 494002992 /nfs/dbraw/zinc/00/29/92/494002992.db2.gz KKYIUCCWYNVPSY-QGZVFWFLSA-N 0 3 355.438 3.354 50 0 FGAAHN COc1ccc([C@@H]2CCCCCN2CCn2nc3ccccn3c2=O)cc1 ZINC000032778033 494015746 /nfs/dbraw/zinc/01/57/46/494015746.db2.gz DUXFQPZTHNSLLM-IBGZPJMESA-N 0 3 366.465 3.122 50 0 FGAAHN CN(C)c1ccccc1C(=O)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000077472108 494089519 /nfs/dbraw/zinc/08/95/19/494089519.db2.gz FNYDMSZBFCVZFV-UHFFFAOYSA-N 0 3 363.505 3.068 50 0 FGAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1CCCC[C@H]1CCn1cccn1 ZINC000077471572 494089623 /nfs/dbraw/zinc/08/96/23/494089623.db2.gz QWEKSQTXVYZBJI-INIZCTEOSA-N 0 3 358.486 3.317 50 0 FGAAHN Cc1ccc(CN2CCC(c3nnc(CN4CCCC4)n3C)CC2)s1 ZINC000077486750 494093795 /nfs/dbraw/zinc/09/37/95/494093795.db2.gz JHHLEFURTSGFCK-UHFFFAOYSA-N 0 3 359.543 3.160 50 0 FGAAHN OC[C@H]1COCCN(Cc2ccc3ccn(Cc4ccccc4)c3c2)C1 ZINC000077519379 494102523 /nfs/dbraw/zinc/10/25/23/494102523.db2.gz OOMMJZJACVACAT-FQEVSTJZSA-N 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CCOc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3cc(=O)[n-]c(C)n3)C1)CCC2 ZINC000072163598 494141070 /nfs/dbraw/zinc/14/10/70/494141070.db2.gz XDAJISGEEUKCLS-GOSISDBHSA-N 0 3 367.493 3.345 50 0 FGAAHN CCOc1cc2c(cc1C[N@H+]1CCC[C@@H](c3cc(=O)[n-]c(C)n3)C1)CCC2 ZINC000072163598 494141074 /nfs/dbraw/zinc/14/10/74/494141074.db2.gz XDAJISGEEUKCLS-GOSISDBHSA-N 0 3 367.493 3.345 50 0 FGAAHN Cc1cc(Cn2ccnc2-c2cc3n(n2)CCCNC3)c(C(F)(F)F)o1 ZINC000072420131 494169012 /nfs/dbraw/zinc/16/90/12/494169012.db2.gz MJQHXINNYWUBPT-UHFFFAOYSA-N 0 3 365.359 3.208 50 0 FGAAHN CC(C)Cc1ccc(CN2CCC[C@@H](Nc3cc(C(N)=O)ccn3)C2)cc1 ZINC000072436096 494175284 /nfs/dbraw/zinc/17/52/84/494175284.db2.gz HDFWVWHPBXZRRP-HXUWFJFHSA-N 0 3 366.509 3.456 50 0 FGAAHN COc1ccc(CN2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1O ZINC000072473269 494178408 /nfs/dbraw/zinc/17/84/08/494178408.db2.gz CVMXAMLKFPSFSS-HXUWFJFHSA-N 0 3 352.478 3.076 50 0 FGAAHN Cc1cccc(-c2nc3cc(C)ccc3cc2CN2CC[C@](O)(CO)C2)c1 ZINC000072473182 494179212 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Cc1occc1C(=O)N1CC[C@@H](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012448508 494234976 /nfs/dbraw/zinc/23/49/76/494234976.db2.gz RUOHMCYKIUXNFK-LJQANCHMSA-N 0 3 353.466 3.357 50 0 FGAAHN CSc1nnc(CC2CCN(CCOCc3ccccc3)CC2)n1C ZINC000055074052 494297053 /nfs/dbraw/zinc/29/70/53/494297053.db2.gz AOJHIBIKYVJFAQ-UHFFFAOYSA-N 0 3 360.527 3.008 50 0 FGAAHN CCC(CC)CN1CCOc2ccc(CN3CCC[C@H]3C(=O)OC)cc2C1 ZINC000055099821 494301159 /nfs/dbraw/zinc/30/11/59/494301159.db2.gz RUVZBEFQKYLHEF-FQEVSTJZSA-N 0 3 374.525 3.455 50 0 FGAAHN CN(C)Cc1ccccc1CNC(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000024084703 494604549 /nfs/dbraw/zinc/60/45/49/494604549.db2.gz YPMAMBIJSZNLNG-UHFFFAOYSA-N 0 3 374.868 3.493 50 0 FGAAHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc(=O)[nH]c2ccccc21 ZINC000091616796 494626910 /nfs/dbraw/zinc/62/69/10/494626910.db2.gz ADIICNGMFVUYAZ-FQEVSTJZSA-N 0 3 361.445 3.095 50 0 FGAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-n3cccn3)cc1)C2 ZINC000091736864 494660775 /nfs/dbraw/zinc/66/07/75/494660775.db2.gz 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494796443 /nfs/dbraw/zinc/79/64/43/494796443.db2.gz HIMAKZRUBJKPGA-RTBURBONSA-N 0 3 356.491 3.382 50 0 FGAAHN Cc1nc(CC(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)cs1 ZINC000095375914 494968793 /nfs/dbraw/zinc/96/87/93/494968793.db2.gz VUDSCKNQPZTADQ-PKOBYXMFSA-N 0 3 355.507 3.117 50 0 FGAAHN Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1C ZINC000095383743 494970779 /nfs/dbraw/zinc/97/07/79/494970779.db2.gz CYCISKDZGLQHBH-LJQANCHMSA-N 0 3 354.498 3.081 50 0 FGAAHN c1cn(-c2ccc(CN3C[C@H]4CC[C@@H]3CN(Cc3cccnc3)C4)cc2)cn1 ZINC000095385969 494971702 /nfs/dbraw/zinc/97/17/02/494971702.db2.gz WFMZHCFVSPBWCG-JTHBVZDNSA-N 0 3 373.504 3.364 50 0 FGAAHN Cc1nc2ccccn2c1CN(C)C(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000095390141 494973230 /nfs/dbraw/zinc/97/32/30/494973230.db2.gz XFMRXVSYFRBMOA-QGZVFWFLSA-N 0 3 366.465 3.106 50 0 FGAAHN CN1CC[C@H]2[C@H](CCN2C(=O)Nc2cccc(OCC(F)(F)F)c2)C1 ZINC000095996520 494994213 /nfs/dbraw/zinc/99/42/13/494994213.db2.gz PVBHZOCYFBVRKT-DOMZBBRYSA-N 0 3 357.376 3.186 50 0 FGAAHN 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CCc1nnc2c(N3CCN(C4CCCCC4)CC3)nc3ccccc3n12 ZINC000007504152 535860936 /nfs/dbraw/zinc/86/09/36/535860936.db2.gz WPGXGASXHIPYJX-UHFFFAOYSA-N 0 3 364.497 3.295 50 0 FGAAHN COc1cccc(OC)c1CNC(=O)N(C)[C@H](CN(C)C)c1ccccc1 ZINC000426477340 570606233 /nfs/dbraw/zinc/60/62/33/570606233.db2.gz GRXSUVFNXDPHRP-GOSISDBHSA-N 0 3 371.481 3.148 50 0 FGAAHN CN(C)CCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000047297636 570885329 /nfs/dbraw/zinc/88/53/29/570885329.db2.gz WKFBJLZLBDTSCK-UHFFFAOYSA-N 0 3 352.478 3.479 50 0 FGAAHN CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2c(Cl)n(C)nc2C(C)C)C1 ZINC000116364839 571191072 /nfs/dbraw/zinc/19/10/72/571191072.db2.gz UXLWMQKKIHELBI-UONOGXRCSA-N 0 3 354.926 3.370 50 0 FGAAHN CN1CC[C@](C)(CNC(=O)c2ccccc2OCCc2ccccc2)C1 ZINC000670439289 571347665 /nfs/dbraw/zinc/34/76/65/571347665.db2.gz OBJLOZDASNBICP-JOCHJYFZSA-N 0 3 352.478 3.380 50 0 FGAAHN COc1cccc(C[C@H]2CN(Cc3cc(CN(C)C)cs3)CCO2)c1 ZINC000020864266 695642731 /nfs/dbraw/zinc/64/27/31/695642731.db2.gz NKZVGVPJMZIPIE-IBGZPJMESA-N 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/nfs/dbraw/zinc/15/63/59/494156359.db2.gz RTTBEQGWOLUWRU-HUUCEWRRSA-N 0 3 356.557 3.055 50 0 FGAAHN Cc1cc(C)n(Cc2ccc(C(=O)N(C)CCN3CCCCCC3)cc2)n1 ZINC000072423620 494170604 /nfs/dbraw/zinc/17/06/04/494170604.db2.gz PJMOCHNASASFGQ-UHFFFAOYSA-N 0 3 368.525 3.496 50 0 FGAAHN CN(C)Cc1ccc([C@H]2CCCCN2Cc2cnc(N(C)C)nc2)cc1 ZINC000072428190 494171576 /nfs/dbraw/zinc/17/15/76/494171576.db2.gz OJWZFJUVNXXIRN-HXUWFJFHSA-N 0 3 353.514 3.331 50 0 FGAAHN Cc1c(C(=O)NCc2c(C)ncc3c2CCNC3)[nH]c2c1c(C)ccc2C ZINC000072457336 494178002 /nfs/dbraw/zinc/17/80/02/494178002.db2.gz RSQSZGRNQLPGBT-UHFFFAOYSA-N 0 3 362.477 3.372 50 0 FGAAHN CCn1ccc2cc(C(=O)N3CCC([C@@H](C)N4CCOCC4)CC3)ccc21 ZINC000072479241 494182560 /nfs/dbraw/zinc/18/25/60/494182560.db2.gz KGXKNHNVSSRRHW-QGZVFWFLSA-N 0 3 369.509 3.234 50 0 FGAAHN Cc1ccc(CN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)s1 ZINC000072479915 494182866 /nfs/dbraw/zinc/18/28/66/494182866.db2.gz FJGCYEWHCFJOMY-MRXNPFEDSA-N 0 3 359.543 3.160 50 0 FGAAHN COc1ccc(C[C@H]2CN(C3CCN(Cc4ccco4)CC3)CCO2)cc1 ZINC000011754008 494190321 /nfs/dbraw/zinc/19/03/21/494190321.db2.gz XDRIWJJBORZMCB-QFIPXVFZSA-N 0 3 370.493 3.196 50 0 FGAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccoc2)C1 ZINC000012201597 494213508 /nfs/dbraw/zinc/21/35/08/494213508.db2.gz KQVPWOQPVBBECS-KRWDZBQOSA-N 0 3 356.466 3.315 50 0 FGAAHN Cc1ccc(C(=O)N(C)[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)[nH]1 ZINC000012316096 494222817 /nfs/dbraw/zinc/22/28/17/494222817.db2.gz FPKCHBCZIXNQIQ-LJQANCHMSA-N 0 3 367.493 3.265 50 0 FGAAHN C[C@H](Cc1cccnc1)NC(=O)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000012430724 494232233 /nfs/dbraw/zinc/23/22/33/494232233.db2.gz RXTHMUBTBCDKIN-GOSISDBHSA-N 0 3 363.505 3.152 50 0 FGAAHN CC(C)[NH+]1CCC(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000012441430 494233294 /nfs/dbraw/zinc/23/32/94/494233294.db2.gz CSVSBRUOHGTWMO-UHFFFAOYSA-N 0 3 365.326 3.392 50 0 FGAAHN CC(=O)N1CCC(N[C@@H](C)c2cnc(N(C)C3CCCCC3)nc2C)CC1 ZINC000012459513 494234823 /nfs/dbraw/zinc/23/48/23/494234823.db2.gz SLZMLWISJHKMJI-HNNXBMFYSA-N 0 3 373.545 3.215 50 0 FGAAHN O=C(CCc1ccccc1)NC1CCN(Cn2cnc3ccccc32)CC1 ZINC000054490607 494241103 /nfs/dbraw/zinc/24/11/03/494241103.db2.gz JPGMVQPKIHCKHG-UHFFFAOYSA-N 0 3 362.477 3.207 50 0 FGAAHN COc1ccc(CC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)cc1 ZINC000012573267 494243389 /nfs/dbraw/zinc/24/33/89/494243389.db2.gz HHYJKFGAVAGXJJ-OAQYLSRUSA-N 0 3 366.505 3.451 50 0 FGAAHN CC(=O)c1ccc2c(c1)CCN(CCC(=O)Nc1ccccc1F)CC2 ZINC000089331290 494290319 /nfs/dbraw/zinc/29/03/19/494290319.db2.gz XVMVEHVNDQZUQO-UHFFFAOYSA-N 0 3 354.425 3.458 50 0 FGAAHN O=C(c1ccc(Cn2ccnc2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000044442539 494358774 /nfs/dbraw/zinc/35/87/74/494358774.db2.gz KYCBUXUMSSITIJ-UHFFFAOYSA-N 0 3 352.482 3.022 50 0 FGAAHN CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CCCN3C3CCCC3)cc21 ZINC000089977456 494418859 /nfs/dbraw/zinc/41/88/59/494418859.db2.gz NPFYCERSIMFNID-GOSISDBHSA-N 0 3 370.497 3.124 50 0 FGAAHN C[C@H]1C[C@H](NC(=O)COc2ccc(F)cc2)CCN1Cc1ccccc1 ZINC000079559069 494481714 /nfs/dbraw/zinc/48/17/14/494481714.db2.gz XASJHNRRHAATNU-QFBILLFUSA-N 0 3 356.441 3.374 50 0 FGAAHN Cc1ccccc1OCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023128079 494551116 /nfs/dbraw/zinc/55/11/16/494551116.db2.gz CFVFWCQJWOSSGT-UHFFFAOYSA-N 0 3 358.507 3.464 50 0 FGAAHN Cc1ccc2ncccc2c1C[N@H+]1CC[C@H](N(C)C)[C@H](CCC(=O)[O-])C1 ZINC000091425593 494595634 /nfs/dbraw/zinc/59/56/34/494595634.db2.gz BNGUPRLZFRDWBJ-UZLBHIALSA-N 0 3 355.482 3.160 50 0 FGAAHN Cc1ccc2ncccc2c1C[N@@H+]1CC[C@H](N(C)C)[C@H](CCC(=O)[O-])C1 ZINC000091425593 494595644 /nfs/dbraw/zinc/59/56/44/494595644.db2.gz BNGUPRLZFRDWBJ-UZLBHIALSA-N 0 3 355.482 3.160 50 0 FGAAHN Cc1cccc2nc(C3CCN(C(=O)[C@H]4Cc5ccccc5CN4)CC3)[nH]c21 ZINC000091646042 494636680 /nfs/dbraw/zinc/63/66/80/494636680.db2.gz LHLUJZWBRNEXAS-HXUWFJFHSA-N 0 3 374.488 3.292 50 0 FGAAHN CCN1CCc2nc[nH]c2C12CCN(C/C=C/c1ccc(OC)cc1)CC2 ZINC000091768888 494673340 /nfs/dbraw/zinc/67/33/40/494673340.db2.gz NIGTWAHXGXVDQB-SNAWJCMRSA-N 0 3 366.509 3.301 50 0 FGAAHN CC(C)CC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000075110207 494693303 /nfs/dbraw/zinc/69/33/03/494693303.db2.gz CLGWSEZAZJAJQY-YJBOKZPZSA-N 0 3 360.502 3.475 50 0 FGAAHN CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc(F)c2)CC1 ZINC000091932076 494725238 /nfs/dbraw/zinc/72/52/38/494725238.db2.gz GOWOBHZRPLLKLN-UHFFFAOYSA-N 0 3 368.460 3.062 50 0 FGAAHN COc1ccc([C@H](CNc2nn3cc(C)nc3s2)N2CCCC2)cc1 ZINC000026692702 494834903 /nfs/dbraw/zinc/83/49/03/494834903.db2.gz AODGNZDYQLVJOO-INIZCTEOSA-N 0 3 357.483 3.357 50 0 FGAAHN CCOC[C@H]1CCCN(Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000093419514 494890031 /nfs/dbraw/zinc/89/00/31/494890031.db2.gz BIKOPMSZOIOSAC-HNNXBMFYSA-N 0 3 357.454 3.096 50 0 FGAAHN Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095370244 494966724 /nfs/dbraw/zinc/96/67/24/494966724.db2.gz CVFHZSLVHCRMTL-MRXNPFEDSA-N 0 3 374.916 3.426 50 0 FGAAHN COCCCN1CC2(CC1=O)CCN(C/C=C/c1ccccc1OC)CC2 ZINC000095377319 494968702 /nfs/dbraw/zinc/96/87/02/494968702.db2.gz GKTIHMGOWKDCAG-VMPITWQZSA-N 0 3 372.509 3.059 50 0 FGAAHN COc1ccc([C@@H]2CN(C(=O)NC3CCCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095375081 494968832 /nfs/dbraw/zinc/96/88/32/494968832.db2.gz SKVWDYFJGAEDFA-PWRODBHTSA-N 0 3 369.509 3.209 50 0 FGAAHN Cc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1O ZINC000095378231 494969938 /nfs/dbraw/zinc/96/99/38/494969938.db2.gz XEGDWPDJPWMOAU-RTBURBONSA-N 0 3 350.462 3.437 50 0 FGAAHN COc1ccc([C@@H]2CN(c3ccc(Cl)nn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095384531 494970603 /nfs/dbraw/zinc/97/06/03/494970603.db2.gz VCCRJLGURSROPO-PWIZWCRZSA-N 0 3 370.884 3.205 50 0 FGAAHN Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000095383568 494970727 /nfs/dbraw/zinc/97/07/27/494970727.db2.gz XPDJLPNSRREYSF-MRXNPFEDSA-N 0 3 370.888 3.093 50 0 FGAAHN CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000095463200 494977021 /nfs/dbraw/zinc/97/70/21/494977021.db2.gz XGSUHYQJKBQTEV-CQSZACIVSA-N 0 3 357.429 3.034 50 0 FGAAHN Cc1cccc(NC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1C ZINC000095504678 494982387 /nfs/dbraw/zinc/98/23/87/494982387.db2.gz DJQZZEMUMLKEAT-SFHVURJKSA-N 0 3 369.513 3.473 50 0 FGAAHN O=C(NCc1c[nH]nc1-c1cccs1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095511057 494983551 /nfs/dbraw/zinc/98/35/51/494983551.db2.gz LIIPDAJRCQEZSL-AWEZNQCLSA-N 0 3 370.478 3.260 50 0 FGAAHN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc(CN2CCCCC2)nc1 ZINC000096012121 494996648 /nfs/dbraw/zinc/99/66/48/494996648.db2.gz UXEMYJSIIHWFSS-HNNXBMFYSA-N 0 3 369.513 3.235 50 0 FGAAHN CC[C@@H](C(=O)N1CCC([NH2+]Cc2nc(C)ccc2[O-])CC1)c1ccccc1 ZINC000103344654 495222793 /nfs/dbraw/zinc/22/27/93/495222793.db2.gz JQCHVGVGSQXCRH-LJQANCHMSA-N 0 3 367.493 3.370 50 0 FGAAHN COc1cccc(-c2nn(C(C)(C)C)cc2CN2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191729316 496870489 /nfs/dbraw/zinc/87/04/89/496870489.db2.gz RVYULILBTWNVJU-QAPCUYQASA-N 0 3 357.498 3.374 50 0 FGAAHN Cc1ccc(-c2cccc(C(=O)NCC[C@H](C)N3CCN(C)CC3)c2)o1 ZINC000215431892 496980902 /nfs/dbraw/zinc/98/09/02/496980902.db2.gz CSDOYRHDSXCANZ-INIZCTEOSA-N 0 3 355.482 3.011 50 0 FGAAHN COc1cccc2ccc(CN3CCN(C4CCSCC4)CC3)nc21 ZINC000216517055 496989621 /nfs/dbraw/zinc/98/96/21/496989621.db2.gz ROGISGMPWOXCKX-UHFFFAOYSA-N 0 3 357.523 3.257 50 0 FGAAHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000221985015 497020915 /nfs/dbraw/zinc/02/09/15/497020915.db2.gz FAKNNWBCPSDWNA-DYESRHJHSA-N 0 3 370.468 3.372 50 0 FGAAHN Cc1cccc(NC(=O)CCN2CCC([C@H](O)c3ccccn3)CC2)c1C ZINC000252485218 497304016 /nfs/dbraw/zinc/30/40/16/497304016.db2.gz GPDQHEONOCEHRL-QFIPXVFZSA-N 0 3 367.493 3.473 50 0 FGAAHN CC(C)(C)n1cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)nn1 ZINC000252490499 497304916 /nfs/dbraw/zinc/30/49/16/497304916.db2.gz KVHDTMKVGTVEKW-UHFFFAOYSA-N 0 3 371.485 3.150 50 0 FGAAHN O[C@H]1C[C@@H]([C@H](NC2CSCCSC2)c2cnc3ccccc3c2)C1 ZINC000244601765 497366663 /nfs/dbraw/zinc/36/66/63/497366663.db2.gz DRLHKJJTGNIXID-YJLNNSPDSA-N 0 3 360.548 3.485 50 0 FGAAHN CN(Cc1cc(C(N)=O)oc1C(C)(C)C)C[C@@H]1Cc2ccccc2CN1C ZINC000244866509 497371628 /nfs/dbraw/zinc/37/16/28/497371628.db2.gz VXKXYRPFZYXABI-SFHVURJKSA-N 0 3 369.509 3.165 50 0 FGAAHN O=C(CCC(=O)c1ccc(F)cc1)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000194751718 497759912 /nfs/dbraw/zinc/75/99/12/497759912.db2.gz KFKWMFBBVDKNKK-SFHVURJKSA-N 0 3 368.452 3.427 50 0 FGAAHN Cc1nn(C)c(C)c1C(=O)NC[C@H](c1csc2ccccc21)N(C)C ZINC000575620753 505985422 /nfs/dbraw/zinc/98/54/22/505985422.db2.gz LWNHFQHEBKUTBC-MRXNPFEDSA-N 0 3 356.495 3.284 50 0 FGAAHN CO[C@]12CCN(Cc3cnc(-c4ccc(Cl)cc4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000426492817 500279374 /nfs/dbraw/zinc/27/93/74/500279374.db2.gz NMIQIVJSEMDPMO-CMKODMSKSA-N 0 3 373.884 3.301 50 0 FGAAHN COC(=O)c1cccc(-c2cccc(C(=O)N3CCC[C@@H](N(C)C)C3)c2)c1 ZINC000426510913 500282358 /nfs/dbraw/zinc/28/23/58/500282358.db2.gz YBBKEPJAZFSHLH-HXUWFJFHSA-N 0 3 366.461 3.306 50 0 FGAAHN CN1CC[C@@](C)(CNC(=O)N(Cc2ccncc2)Cc2ccc(F)cc2)C1 ZINC000426509827 500282406 /nfs/dbraw/zinc/28/24/06/500282406.db2.gz CGGIZAOLNSKFDV-NRFANRHFSA-N 0 3 370.472 3.274 50 0 FGAAHN COc1ccc([C@@H](N)CC(=O)NC2(Cc3ccc(C)cc3)CC2)cc1OC ZINC000426525953 500284853 /nfs/dbraw/zinc/28/48/53/500284853.db2.gz MLPCUKRWCPVJFM-SFHVURJKSA-N 0 3 368.477 3.294 50 0 FGAAHN COc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)cc2)cn1 ZINC000426563362 500289274 /nfs/dbraw/zinc/28/92/74/500289274.db2.gz ZQTJUWMUCOANMI-RBUKOAKNSA-N 0 3 351.450 3.066 50 0 FGAAHN Cc1ccccc1[C@@H](CNC(=O)N(C)Cc1ncc[nH]1)N1CCC(C)CC1 ZINC000534634904 504196973 /nfs/dbraw/zinc/19/69/73/504196973.db2.gz YWUYFPPCOFFSMP-LJQANCHMSA-N 0 3 369.513 3.333 50 0 FGAAHN O=C(c1ccc(-c2ccc(CSCCO)cc2)cc1)N1CCCNCC1 ZINC000534664744 504208901 /nfs/dbraw/zinc/20/89/01/504208901.db2.gz BVWBCRKAOLUQIP-UHFFFAOYSA-N 0 3 370.518 3.015 50 0 FGAAHN CN(C(=O)NCc1ccccc1OCc1ccccc1)[C@@H]1CCN(C)C1 ZINC000584893839 507560945 /nfs/dbraw/zinc/56/09/45/507560945.db2.gz KKNWVMBNHOCAKK-LJQANCHMSA-N 0 3 353.466 3.111 50 0 FGAAHN 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Cc1nc(CC(C)C)cc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)n1 ZINC000019636860 211242569 /nfs/dbraw/zinc/24/25/69/211242569.db2.gz BKSYFBVIELSRPA-UHFFFAOYSA-N 0 3 364.453 3.050 50 0 FGAAHN Cc1ncc2c(c1-c1noc(CCCc3ccc(F)cc3)n1)CCNC2 ZINC000019148735 211203778 /nfs/dbraw/zinc/20/37/78/211203778.db2.gz ASBUQSTWQPVRTL-UHFFFAOYSA-N 0 3 352.413 3.400 50 0 FGAAHN COc1ccc(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000017911521 211189102 /nfs/dbraw/zinc/18/91/02/211189102.db2.gz DJFZCSIKSYNZLI-NRFANRHFSA-N 0 3 368.477 3.200 50 0 FGAAHN O=C1C[C@@H](NCCc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000018148637 211192298 /nfs/dbraw/zinc/19/22/98/211192298.db2.gz IOEDRPUGGDDFKT-MRXNPFEDSA-N 0 3 363.244 3.458 50 0 FGAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCN3CCC(C)CC3)c21 ZINC000015727462 211138797 /nfs/dbraw/zinc/13/87/97/211138797.db2.gz ICIWUTHWSFPZRY-UHFFFAOYSA-N 0 3 360.458 3.160 50 0 FGAAHN Cc1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000015006229 211113654 /nfs/dbraw/zinc/11/36/54/211113654.db2.gz 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221063026 /nfs/dbraw/zinc/06/30/26/221063026.db2.gz UHRKJBPLDJFTGU-UHFFFAOYSA-N 0 3 363.465 3.329 50 0 FGAAHN CCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000058166278 221101418 /nfs/dbraw/zinc/10/14/18/221101418.db2.gz BSHUTRXVVAOAEF-FQEVSTJZSA-N 0 3 372.509 3.019 50 0 FGAAHN CCN(C(=O)CCN1CC=C(c2cnn(C)c2)CC1)c1ccccc1C ZINC000065470740 221224403 /nfs/dbraw/zinc/22/44/03/221224403.db2.gz JZPMSRVMQCKYDM-UHFFFAOYSA-N 0 3 352.482 3.261 50 0 FGAAHN COc1cc(Oc2nc3c(cc2C(N)=O)CCC3)ccc1CN1CCCC1 ZINC000067654552 221265959 /nfs/dbraw/zinc/26/59/59/221265959.db2.gz OXLMMYNXDFWXKN-UHFFFAOYSA-N 0 3 367.449 3.066 50 0 FGAAHN Cc1ncc(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3)cn1 ZINC000067654182 221266923 /nfs/dbraw/zinc/26/69/23/221266923.db2.gz IMRCHOCEISRHLG-NRFANRHFSA-N 0 3 354.473 3.412 50 0 FGAAHN Cc1c(CN2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cnn1C ZINC000067514202 221258497 /nfs/dbraw/zinc/25/84/97/221258497.db2.gz VFHRGGYEFZCHIP-NRFANRHFSA-N 0 3 374.479 3.495 50 0 FGAAHN 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/nfs/dbraw/zinc/30/69/00/500306900.db2.gz VQFZMEOWYFUCPT-UHFFFAOYSA-N 0 3 373.476 3.410 50 0 FGAAHN CN(C)CCNC(=O)N(Cc1cccnc1)[C@@H]1CCCc2ccccc21 ZINC000426719796 500310560 /nfs/dbraw/zinc/31/05/60/500310560.db2.gz DSMWXBPUTMOYQZ-HXUWFJFHSA-N 0 3 352.482 3.232 50 0 FGAAHN CC(C)[C@H]1CCO[C@H]1C(=O)N(C)c1ccc(OCCN2CCCC2)cc1 ZINC000514186802 503108159 /nfs/dbraw/zinc/10/81/59/503108159.db2.gz SPLCWZRTFHEQJY-WOJBJXKFSA-N 0 3 360.498 3.185 50 0 FGAAHN CCCc1cc(-c2cccc(C(=O)N3CCN4CCC[C@@H]4C3)c2)nc(C)n1 ZINC000534582871 504183022 /nfs/dbraw/zinc/18/30/22/504183022.db2.gz OMUBNCGHIBNLOB-HXUWFJFHSA-N 0 3 364.493 3.325 50 0 FGAAHN Cc1ccsc1CN(CCN(C)C)C(=O)NCc1nccn1C(C)C ZINC000534585444 504183776 /nfs/dbraw/zinc/18/37/76/504183776.db2.gz USQJOTQXVFAWSX-UHFFFAOYSA-N 0 3 363.531 3.107 50 0 FGAAHN Cc1c[nH]c([C@H](C)NC(=O)N(CCc2ccccc2)C2CCN(C)CC2)n1 ZINC000534659701 504207720 /nfs/dbraw/zinc/20/77/20/504207720.db2.gz RQDVJXKLXNKGAG-KRWDZBQOSA-N 0 3 369.513 3.128 50 0 FGAAHN CC[C@H](CNC(=O)N1CCC(OCc2ccccn2)CC1)N1CCCCC1 ZINC000534664023 504209202 /nfs/dbraw/zinc/20/92/02/504209202.db2.gz WTAUNTBOLYVUAV-LJQANCHMSA-N 0 3 374.529 3.037 50 0 FGAAHN Cc1nc(-c2cccc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)c2)c(C)[nH]1 ZINC000584890531 507559035 /nfs/dbraw/zinc/55/90/35/507559035.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 0 3 352.482 3.392 50 0 FGAAHN Cc1nc(C)c(-c2cccc(C(=O)N3CC(N4CCCC[C@@H]4C)C3)c2)[nH]1 ZINC000584890531 507559042 /nfs/dbraw/zinc/55/90/42/507559042.db2.gz LMKBHLGNZDYXFV-AWEZNQCLSA-N 0 3 352.482 3.392 50 0 FGAAHN CCCN1CCCn2nc(CNC(=O)c3ccc4ncsc4c3)cc2C1 ZINC000082117014 519855590 /nfs/dbraw/zinc/85/55/90/519855590.db2.gz VTLCXMGIACUSBF-UHFFFAOYSA-N 0 3 369.494 3.039 50 0 FGAAHN CCCc1ccc(C(=O)N2CCC(CN3CCN(C)C[C@H]3C)CC2)cc1 ZINC000239593080 521389630 /nfs/dbraw/zinc/38/96/30/521389630.db2.gz DNYOXONEHCVMBC-GOSISDBHSA-N 0 3 357.542 3.127 50 0 FGAAHN CCN1CCN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)CC1 ZINC000082038711 521687005 /nfs/dbraw/zinc/68/70/05/521687005.db2.gz HMJGIOOUNALOEA-GMAHTHKFSA-N 0 3 368.521 3.099 50 0 FGAAHN COc1ccc(OC)c(CN2CCN(CCCc3ccccc3)CC2)c1 ZINC000019842201 524828788 /nfs/dbraw/zinc/82/87/88/524828788.db2.gz SYEDLSSZCNHPTI-UHFFFAOYSA-N 0 3 354.494 3.454 50 0 FGAAHN O=C(NCc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000020100438 526697328 /nfs/dbraw/zinc/69/73/28/526697328.db2.gz CUFTWFNIRTYJLG-UHFFFAOYSA-N 0 3 370.424 3.083 50 0 FGAAHN CN(CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)C1CCCC1 ZINC000220093744 568321713 /nfs/dbraw/zinc/32/17/13/568321713.db2.gz OHWMWKILQXOXKL-NZBFNNPHSA-N 0 3 367.493 3.037 50 0 FGAAHN Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000107342052 570896162 /nfs/dbraw/zinc/89/61/62/570896162.db2.gz VCGDEMGGMWFPLO-JYJNAYRXSA-N 0 3 354.491 3.160 50 0 FGAAHN COc1ccc2cc(CN(C)C(=O)CN(CC(C)(C)O)C(C)C)ccc2c1 ZINC000084597235 571091312 /nfs/dbraw/zinc/09/13/12/571091312.db2.gz MJUUABAUFHPRGQ-UHFFFAOYSA-N 0 3 372.509 3.288 50 0 FGAAHN CCN1CCN(CCCNC(=O)[C@@]2(c3ccccc3)CC23CCCC3)CC1 ZINC000426399483 571220313 /nfs/dbraw/zinc/22/03/13/571220313.db2.gz YWKYQNPLUJBKRX-QHCPKHFHSA-N 0 3 369.553 3.032 50 0 FGAAHN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000170077900 571261835 /nfs/dbraw/zinc/26/18/35/571261835.db2.gz QDCZGBFGUHXABX-FCEWJHQRSA-N 0 3 359.491 3.312 50 0 FGAAHN Cc1ccc(-c2cc(CNC(=O)N3CC[C@H](N4CCCCC4)C3)no2)cc1 ZINC000584885011 571313601 /nfs/dbraw/zinc/31/36/01/571313601.db2.gz GPVCXVOWVYELPZ-IBGZPJMESA-N 0 3 368.481 3.420 50 0 FGAAHN CC(C)c1csc(CCNC(=O)N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000670436787 571347245 /nfs/dbraw/zinc/34/72/45/571347245.db2.gz FCOHMGDZMXVPTE-OAHLLOKOSA-N 0 3 350.532 3.079 50 0 FGAAHN O=C(c1cc2c(s1)CCNC2)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000888101554 739470883 /nfs/dbraw/zinc/47/08/83/739470883.db2.gz IKIMSTXRDOVKMG-UHFFFAOYSA-N 0 3 359.470 3.250 50 0 FGAAHN O=C(NCc1n[nH]c2c1CCCCC2)[C@@H]1CCCCN1Cc1ccccc1 ZINC000299765656 223086609 /nfs/dbraw/zinc/08/66/09/223086609.db2.gz PNJSIQLYMGPJJC-NRFANRHFSA-N 0 3 366.509 3.350 50 0 FGAAHN O=C(CC1CCN(Cc2ccccc2)CC1)N1CC(c2nccs2)C1 ZINC000299779117 223093432 /nfs/dbraw/zinc/09/34/32/223093432.db2.gz UEUCKFGRJHKTPJ-UHFFFAOYSA-N 0 3 355.507 3.371 50 0 FGAAHN O=C(NCCN1CCC[C@H](CO)C1)Nc1ccccc1-c1ccccc1 ZINC000299782509 223095224 /nfs/dbraw/zinc/09/52/24/223095224.db2.gz DQCYSEUJLYFLRW-KRWDZBQOSA-N 0 3 353.466 3.179 50 0 FGAAHN Cc1nc(-c2cccc(NC(=O)NCCN3CCCC[C@H]3CO)c2)cs1 ZINC000299795793 223101842 /nfs/dbraw/zinc/10/18/42/223101842.db2.gz LAHQGVJHNPBHTP-KRWDZBQOSA-N 0 3 374.510 3.087 50 0 FGAAHN Cn1cccc1[C@H](CNC(=O)c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000011846359 219937561 /nfs/dbraw/zinc/93/75/61/219937561.db2.gz RUYHKFCOQCZPNG-SFHVURJKSA-N 0 3 369.465 3.101 50 0 FGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cnc2ccccc2n1 ZINC000012700880 220018343 /nfs/dbraw/zinc/01/83/43/220018343.db2.gz GSYIWRVGMOQSHS-HRAATJIYSA-N 0 3 358.445 3.386 50 0 FGAAHN COC(=O)c1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000012778767 220029521 /nfs/dbraw/zinc/02/95/21/220029521.db2.gz WJBDEVJVDFZWGQ-UHFFFAOYSA-N 0 3 366.461 3.389 50 0 FGAAHN CCN1CCC(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)CC1 ZINC000012895851 220040504 /nfs/dbraw/zinc/04/05/04/220040504.db2.gz XDVZKLBLMOETAI-UHFFFAOYSA-N 0 3 358.313 3.026 50 0 FGAAHN Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000012942185 220044791 /nfs/dbraw/zinc/04/47/91/220044791.db2.gz HZSLQZQXBPONFS-UHFFFAOYSA-N 0 3 371.506 3.397 50 0 FGAAHN NC(=O)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014200212 220116017 /nfs/dbraw/zinc/11/60/17/220116017.db2.gz IYZFFPLRJGVFAM-GOSISDBHSA-N 0 3 352.434 3.284 50 0 FGAAHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccs2)cc1 ZINC000014200944 220116857 /nfs/dbraw/zinc/11/68/57/220116857.db2.gz HEHFHINGENINEB-DOTOQJQBSA-N 0 3 361.463 3.112 50 0 FGAAHN CCn1nc(C(=O)N(C)Cc2ccoc2)c2c1CC[C@@H](N1CCCCC1)C2 ZINC000014541011 220125609 /nfs/dbraw/zinc/12/56/09/220125609.db2.gz HGAFFPGDEWNDEH-QGZVFWFLSA-N 0 3 370.497 3.111 50 0 FGAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)C=C(C)C)C3)C2)c1OC ZINC000014968350 220136980 /nfs/dbraw/zinc/13/69/80/220136980.db2.gz AQAPJEIYKCRYFN-QFIPXVFZSA-N 0 3 372.509 3.485 50 0 FGAAHN CCn1c2ccccc2nc1CN1CC[C@@]2(C1)CCCN(CC1CC1)C2=O ZINC000015068651 220144401 /nfs/dbraw/zinc/14/44/01/220144401.db2.gz OYUWPOLOVAWKNL-JOCHJYFZSA-N 0 3 366.509 3.281 50 0 FGAAHN Cc1ccc(C(=O)Nc2cccc(CNCCC(=O)N3CCCC3)c2)cc1 ZINC000017317229 220213950 /nfs/dbraw/zinc/21/39/50/220213950.db2.gz YFRKCNHOAZJJKM-UHFFFAOYSA-N 0 3 365.477 3.349 50 0 FGAAHN Cc1cc(C)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000018223093 220229543 /nfs/dbraw/zinc/22/95/43/220229543.db2.gz ORROQYJXHZCDLS-FQEVSTJZSA-N 0 3 361.445 3.249 50 0 FGAAHN COc1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1 ZINC000019372192 220253832 /nfs/dbraw/zinc/25/38/32/220253832.db2.gz SJTNEGOQTOADLM-UHFFFAOYSA-N 0 3 355.482 3.310 50 0 FGAAHN COc1cccc(-c2[nH]nc3c2CN([C@@H](C)Cn2nc(C)cc2C)CC3)c1 ZINC000019742568 220292660 /nfs/dbraw/zinc/29/26/60/220292660.db2.gz KNMADAZOBJQXGX-INIZCTEOSA-N 0 3 365.481 3.345 50 0 FGAAHN COc1ccc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1O ZINC000020855146 220342933 /nfs/dbraw/zinc/34/29/33/220342933.db2.gz LKFSQFJXMTVQQI-HXUWFJFHSA-N 0 3 352.478 3.424 50 0 FGAAHN CCN(CCN1CCCCCC1)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000055042460 221057691 /nfs/dbraw/zinc/05/76/91/221057691.db2.gz BQLXRIZIMGVRIA-UHFFFAOYSA-N 0 3 359.445 3.005 50 0 FGAAHN C[C@H](CO)CN(Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055183031 221060975 /nfs/dbraw/zinc/06/09/75/221060975.db2.gz DFCSBSGCSQNMTM-HNNXBMFYSA-N 0 3 354.425 3.298 50 0 FGAAHN CC(C)[C@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(Cl)cc1 ZINC000057383505 221087442 /nfs/dbraw/zinc/08/74/42/221087442.db2.gz MURAXGPVMXEXFD-HNNXBMFYSA-N 0 3 365.886 3.426 50 0 FGAAHN Cc1cccc(-c2ncc(CNC[C@H]3CCCN(C(=O)C(C)C)C3)cn2)c1 ZINC000055370982 221067788 /nfs/dbraw/zinc/06/77/88/221067788.db2.gz BKDKBOKCPVCCSV-GOSISDBHSA-N 0 3 366.509 3.436 50 0 FGAAHN O=C(c1cccc(CN2CCCC2)c1)N1CCCN(c2nccs2)CC1 ZINC000058278219 221112184 /nfs/dbraw/zinc/11/21/84/221112184.db2.gz ITRFQVCBMPUONQ-UHFFFAOYSA-N 0 3 370.522 3.091 50 0 FGAAHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2ccccc2F)s1 ZINC000058370486 221116088 /nfs/dbraw/zinc/11/60/88/221116088.db2.gz FTOUIPUXPQZHPE-KGLIPLIRSA-N 0 3 360.454 3.147 50 0 FGAAHN c1nn2cccnc2c1CN1CC[C@H](c2ccnc(-c3ccncc3)c2)C1 ZINC000065385304 221208372 /nfs/dbraw/zinc/20/83/72/221208372.db2.gz PBFFSMBCHOGBNO-SFHVURJKSA-N 0 3 356.433 3.176 50 0 FGAAHN Cc1noc([C@H]2CCCN2C(=O)c2ccc(CN3CCCCC3)cc2)n1 ZINC000065394406 221209451 /nfs/dbraw/zinc/20/94/51/221209451.db2.gz WVSDETHHVCRWEB-GOSISDBHSA-N 0 3 354.454 3.341 50 0 FGAAHN CN(Cc1ccccc1)C[C@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067560642 221259784 /nfs/dbraw/zinc/25/97/84/221259784.db2.gz QGUSVCTYTGSRHV-HSZRJFAPSA-N 0 3 366.505 3.105 50 0 FGAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cc(F)ccc3C)cnn2c1 ZINC000067642465 221264533 /nfs/dbraw/zinc/26/45/33/221264533.db2.gz OHWUUEULAVFCOC-UHFFFAOYSA-N 0 3 355.417 3.271 50 0 FGAAHN CCOC(=O)N1CCC[C@@]2(CCN(Cc3cccn3-c3cccnc3)C2)C1 ZINC000067817026 221288596 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494134840 /nfs/dbraw/zinc/13/48/40/494134840.db2.gz XVECNADRFFHQES-QGZVFWFLSA-N 0 3 353.466 3.388 50 0 FGAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000009917108 494136615 /nfs/dbraw/zinc/13/66/15/494136615.db2.gz ZFIIRKIJCWSMRH-UHFFFAOYSA-N 0 3 351.450 3.027 50 0 FGAAHN O=C(CCN1CCC[C@H]1c1ccsc1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000040154240 494137415 /nfs/dbraw/zinc/13/74/15/494137415.db2.gz ZXCVUPYWMBVWHZ-INIZCTEOSA-N 0 3 356.451 3.083 50 0 FGAAHN C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000040154166 494137454 /nfs/dbraw/zinc/13/74/54/494137454.db2.gz JYDMSHFQDNAMBU-HNNXBMFYSA-N 0 3 355.438 3.023 50 0 FGAAHN Cc1cc(-n2cccn2)ccc1CN1CCCN(Cc2ccncc2)CC1 ZINC000072161577 494139226 /nfs/dbraw/zinc/13/92/26/494139226.db2.gz AROVZIUHKDOWDE-UHFFFAOYSA-N 0 3 361.493 3.284 50 0 FGAAHN CN(C)C[C@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1ccccc1 ZINC000072169759 494143490 /nfs/dbraw/zinc/14/34/90/494143490.db2.gz LLNKHGQTRLOPRY-INIZCTEOSA-N 0 3 352.486 3.376 50 0 FGAAHN 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Cc1cc(N2CCC[C@H](c3nnc(CN(C)C)n3C)C2)c2ccccc2n1 ZINC000072468789 494178778 /nfs/dbraw/zinc/17/87/78/494178778.db2.gz HEXRKTLDQXMTPE-INIZCTEOSA-N 0 3 364.497 3.117 50 0 FGAAHN c1cn(Cc2ccc(C[C@@H]3CC[C@H](CN4CCSCC4)O3)cc2)cn1 ZINC000072480539 494182221 /nfs/dbraw/zinc/18/22/21/494182221.db2.gz IBDTVKAIAIHGGA-VQTJNVASSA-N 0 3 357.523 3.070 50 0 FGAAHN CN(C(=O)CSc1ccccn1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011821335 494192005 /nfs/dbraw/zinc/19/20/05/494192005.db2.gz CWAKYFARZFQXRZ-IBGZPJMESA-N 0 3 369.534 3.339 50 0 FGAAHN CN(C(=O)Cc1cccnc1)[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000011933048 494196992 /nfs/dbraw/zinc/19/69/92/494196992.db2.gz DBSPFHAGZUJDRY-OAQYLSRUSA-N 0 3 351.494 3.180 50 0 FGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000011946876 494198512 /nfs/dbraw/zinc/19/85/12/494198512.db2.gz GFGZGYVGRWUDGQ-UHFFFAOYSA-N 0 3 352.482 3.147 50 0 FGAAHN COCc1ccc(CN2CCC(CO)(Cc3cccc(OC)c3)CC2)o1 ZINC000012094534 494204183 /nfs/dbraw/zinc/20/41/83/494204183.db2.gz DJKWUMOERJYZON-UHFFFAOYSA-N 0 3 359.466 3.252 50 0 FGAAHN Cc1ccccc1-n1cc(C2=CCN(CCC(=O)N3CCCC3)CC2)cn1 ZINC000065508659 494206955 /nfs/dbraw/zinc/20/69/55/494206955.db2.gz KCKSRQPOWNTBAA-UHFFFAOYSA-N 0 3 364.493 3.282 50 0 FGAAHN CCN1CCC[C@@H]1CNC(=O)c1cc(COc2ccc(C)c(C)c2)on1 ZINC000012226583 494215719 /nfs/dbraw/zinc/21/57/19/494215719.db2.gz JNFKZIKFIUERDY-MRXNPFEDSA-N 0 3 357.454 3.085 50 0 FGAAHN COc1cc(CN2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1O ZINC000012386281 494229166 /nfs/dbraw/zinc/22/91/66/494229166.db2.gz NEJCWZQZXNDCHS-OAQYLSRUSA-N 0 3 359.441 3.357 50 0 FGAAHN CCOc1cc(CN2CCC[C@@H](CCC(=O)NC3CC3)C2)ccc1OC ZINC000012431767 494231942 /nfs/dbraw/zinc/23/19/42/494231942.db2.gz QKISLEUMGKXWEG-INIZCTEOSA-N 0 3 360.498 3.365 50 0 FGAAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000012448252 494234858 /nfs/dbraw/zinc/23/48/58/494234858.db2.gz YJQIHFUWJKHTAP-GOSISDBHSA-N 0 3 361.449 3.118 50 0 FGAAHN O=C(/C=C/c1cnn(-c2ccccc2)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012552267 494241463 /nfs/dbraw/zinc/24/14/63/494241463.db2.gz PCZHUGXGYRTUOU-VIOKTNGOSA-N 0 3 372.472 3.276 50 0 FGAAHN C/C(=C\c1ccco1)CN1CCC(CCC(=O)NC[C@H]2CCCO2)CC1 ZINC000014954698 494330238 /nfs/dbraw/zinc/33/02/38/494330238.db2.gz OACYHQGWPZFDHU-BBKFTCMMSA-N 0 3 360.498 3.470 50 0 FGAAHN COc1ccc(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1 ZINC000017911520 494419088 /nfs/dbraw/zinc/41/90/88/494419088.db2.gz DJFZCSIKSYNZLI-OAQYLSRUSA-N 0 3 368.477 3.200 50 0 FGAAHN Cc1cccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c1C ZINC000023256949 494558223 /nfs/dbraw/zinc/55/82/23/494558223.db2.gz MAMFSRKYOISPOQ-UHFFFAOYSA-N 0 3 351.494 3.450 50 0 FGAAHN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(F)cc1)Cc1ccccc1 ZINC000024688140 494653710 /nfs/dbraw/zinc/65/37/10/494653710.db2.gz XTUVNQNFZXBLGM-SFHVURJKSA-N 0 3 364.486 3.057 50 0 FGAAHN O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@](O)(c2ccccc2)C1 ZINC000091736230 494661640 /nfs/dbraw/zinc/66/16/40/494661640.db2.gz DLFSRQPJLHVNSA-HSZRJFAPSA-N 0 3 364.489 3.406 50 0 FGAAHN COc1ccccc1CC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000092107170 494794574 /nfs/dbraw/zinc/79/45/74/494794574.db2.gz OQDHIXDTXSVGGB-TZIWHRDSSA-N 0 3 364.489 3.361 50 0 FGAAHN O=C(CCN1CCC(c2nnc3ccccn32)CC1)c1ccc(F)cc1 ZINC000122049431 494915471 /nfs/dbraw/zinc/91/54/71/494915471.db2.gz JHWGOGMHNJXMLU-UHFFFAOYSA-N 0 3 352.413 3.321 50 0 FGAAHN Cc1nn(C)cc1CN1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095361540 494964677 /nfs/dbraw/zinc/96/46/77/494964677.db2.gz QHDOWVGPRREMRK-IOMROCGXSA-N 0 3 372.463 3.069 50 0 FGAAHN CCCCc1ncc(CN2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)[nH]1 ZINC000095370238 494967076 /nfs/dbraw/zinc/96/70/76/494967076.db2.gz FSPPMDHOSFFJIH-IBGZPJMESA-N 0 3 366.509 3.391 50 0 FGAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000095378711 494970198 /nfs/dbraw/zinc/97/01/98/494970198.db2.gz PHYUCJSAGKCSOM-QGZVFWFLSA-N 0 3 374.916 3.047 50 0 FGAAHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H](O)c1cccc(F)c1 ZINC000095441981 494975273 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CN1CCN(CC[C@H]2CCCCN2Cc2cc(F)ccc2Cl)CC1 ZINC000215553576 496981772 /nfs/dbraw/zinc/98/17/72/496981772.db2.gz SXPYTFWRGPCPHF-GOSISDBHSA-N 0 3 353.913 3.471 50 0 FGAAHN Cc1nccc(-c2ccccc2)c1C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000215705049 496983135 /nfs/dbraw/zinc/98/31/35/496983135.db2.gz FRIDRPYQRFMSDZ-IBGZPJMESA-N 0 3 367.493 3.240 50 0 FGAAHN O[C@]12CCCC[C@H]1CN(Cc1cccc(OCCCn3ccnc3)c1)CC2 ZINC000215845973 496984979 /nfs/dbraw/zinc/98/49/79/496984979.db2.gz PBXWYTBHFDMZOQ-UNMCSNQZSA-N 0 3 369.509 3.479 50 0 FGAAHN O=C(N1CCO[C@H](c2cccnc2)C1)C1(N2CCCCC2)CCCCC1 ZINC000223605069 497040025 /nfs/dbraw/zinc/04/00/25/497040025.db2.gz PUQMGJHTDWKTSW-IBGZPJMESA-N 0 3 357.498 3.170 50 0 FGAAHN CCOC(=O)N1CCN(Cc2ccc(CN3CCCCC3)s2)CC1 ZINC000223721219 497041634 /nfs/dbraw/zinc/04/16/34/497041634.db2.gz ZJVOSLXLDRFQIP-UHFFFAOYSA-N 0 3 351.516 3.008 50 0 FGAAHN CN(C)CCn1ncc(C(=O)NCc2cccs2)c1-c1ccccc1 ZINC000225470080 497063515 /nfs/dbraw/zinc/06/35/15/497063515.db2.gz LKVHGMUZASDXEK-UHFFFAOYSA-N 0 3 354.479 3.103 50 0 FGAAHN O=C(CSc1ccc(Cl)cc1)NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000244795712 497370202 /nfs/dbraw/zinc/37/02/02/497370202.db2.gz RMGZMILMCABNGM-INIZCTEOSA-N 0 3 368.930 3.192 50 0 FGAAHN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329174958 499063338 /nfs/dbraw/zinc/06/33/38/499063338.db2.gz LZLQBWRVNAOJIN-FQEVSTJZSA-N 0 3 366.509 3.246 50 0 FGAAHN CCC[C@@H](CNC(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1)N(C)C ZINC000534646028 504201672 /nfs/dbraw/zinc/20/16/72/504201672.db2.gz YHJQDEGZJDCBTJ-ZDUSSCGKSA-N 0 3 351.882 3.088 50 0 FGAAHN COc1cccc2c1OCCCN(C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299775969 533898123 /nfs/dbraw/zinc/89/81/23/533898123.db2.gz MCTWBQPWBRUCOA-KRWDZBQOSA-N 0 3 366.461 3.333 50 0 FGAAHN Brc1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1 ZINC000019872304 518207296 /nfs/dbraw/zinc/20/72/96/518207296.db2.gz DLRIUOMRQSEHQC-UHFFFAOYSA-N 0 3 365.271 3.131 50 0 FGAAHN CC(C)(O)c1cn(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nn1 ZINC000020540491 519372303 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O=C(CCN1CCC[C@@H](c2nccn2Cc2ccccc2)C1)N1CCCC1 ZINC000082137298 526486844 /nfs/dbraw/zinc/48/68/44/526486844.db2.gz WLNDHZSIUJWBEQ-HXUWFJFHSA-N 0 3 366.509 3.123 50 0 FGAAHN O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCN(C2CCCCC2)CC1 ZINC000085473108 527363262 /nfs/dbraw/zinc/36/32/62/527363262.db2.gz FOXXLPOSFOMWKS-UHFFFAOYSA-N 0 3 370.472 3.166 50 0 FGAAHN OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1C1CCCC1 ZINC000020911622 527567911 /nfs/dbraw/zinc/56/79/11/527567911.db2.gz SOECFKSYSKMTRB-HXUWFJFHSA-N 0 3 372.488 3.027 50 0 FGAAHN CCn1ccc2cc(C(=O)N3CCCO[C@@H](CN4CCCCC4)C3)ccc21 ZINC000299796440 529176101 /nfs/dbraw/zinc/17/61/01/529176101.db2.gz NGTNWDGSAPDFHB-FQEVSTJZSA-N 0 3 369.509 3.378 50 0 FGAAHN CN(Cc1cc2ccccc2nc1N1CCOCC1)C1CCSCC1 ZINC000215048116 536460956 /nfs/dbraw/zinc/46/09/56/536460956.db2.gz XPJZZTVBOTVNCG-UHFFFAOYSA-N 0 3 357.523 3.399 50 0 FGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000045027489 570904724 /nfs/dbraw/zinc/90/47/24/570904724.db2.gz HTBVFJWOQZTXEZ-HXUWFJFHSA-N 0 3 365.477 3.474 50 0 FGAAHN C[C@H]1CCCN(CCCNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000045744822 570912048 /nfs/dbraw/zinc/91/20/48/570912048.db2.gz WDEMCJUFCWBQCM-ZDUSSCGKSA-N 0 3 364.433 3.106 50 0 FGAAHN Cc1cnc(C)c(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)cc2)n1 ZINC000426361630 571215514 /nfs/dbraw/zinc/21/55/14/571215514.db2.gz BDYWZGNALIPXAZ-RBUKOAKNSA-N 0 3 350.466 3.069 50 0 FGAAHN COc1cc(F)c(CN2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)cc1OC ZINC000426419810 571222599 /nfs/dbraw/zinc/22/25/99/571222599.db2.gz QFIWJVPXWRNSMG-MDASCCDHSA-N 0 3 353.434 3.001 50 0 FGAAHN Cc1oc(-c2ccccc2Cl)cc1C(=O)NC[C@@H]1COCCN(C)C1 ZINC000426445532 571226175 /nfs/dbraw/zinc/22/61/75/571226175.db2.gz KOPUMTDLKMNHDL-AWEZNQCLSA-N 0 3 362.857 3.216 50 0 FGAAHN COc1cccc(C[C@@H]2CN(Cc3cc(CN(C)C)cs3)CCO2)c1 ZINC000020864260 695642590 /nfs/dbraw/zinc/64/25/90/695642590.db2.gz NKZVGVPJMZIPIE-LJQANCHMSA-N 0 3 360.523 3.262 50 0 FGAAHN Cc1nn(CCO)c(C)c1CN(C)CCCOc1cccc(Cl)c1 ZINC000092166049 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FGAAHN Cc1cccc(N2CCC(N3CCC[C@@]4(CN(C)C(=O)O4)C3)CC2)c1C ZINC000072476604 136149379 /nfs/dbraw/zinc/14/93/79/136149379.db2.gz HULWWHSDXFSATG-OAQYLSRUSA-N 0 3 357.498 3.189 50 0 FGAAHN Cc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n1 ZINC000023374497 136152753 /nfs/dbraw/zinc/15/27/53/136152753.db2.gz KMKKKQKBAZMUGL-FQEVSTJZSA-N 0 3 368.500 3.316 50 0 FGAAHN CN(CCc1noc(C2CC2)n1)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095522698 209074017 /nfs/dbraw/zinc/07/40/17/209074017.db2.gz ZNAUIMIMKKPREC-UHFFFAOYSA-N 0 3 368.481 3.248 50 0 FGAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc[nH]c1 ZINC000095523248 209074176 /nfs/dbraw/zinc/07/41/76/209074176.db2.gz WSJFZXUOPBDDJC-LJQANCHMSA-N 0 3 369.509 3.440 50 0 FGAAHN CCN(Cc1ncccn1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000095523000 209074228 /nfs/dbraw/zinc/07/42/28/209074228.db2.gz PPCDJQWUOKECQD-LJQANCHMSA-N 0 3 356.489 3.392 50 0 FGAAHN CC(=O)N1CCCN(C(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)CC1 ZINC000095531364 209079371 /nfs/dbraw/zinc/07/93/71/209079371.db2.gz 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366.509 3.131 50 0 FGAAHN Nc1nscc1C(=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000299802476 497928943 /nfs/dbraw/zinc/92/89/43/497928943.db2.gz MWTSJGGVCLYBMQ-HXUWFJFHSA-N 0 3 370.522 3.244 50 0 FGAAHN O=C(NCC[C@@H]1CCCCO1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000426511566 500282341 /nfs/dbraw/zinc/28/23/41/500282341.db2.gz FDPXKAGOWHNHBO-NRFANRHFSA-N 0 3 371.525 3.178 50 0 FGAAHN COc1ccc([C@H](N)CC(=O)NC2(Cc3ccc(C)cc3)CC2)cc1OC ZINC000426525952 500285039 /nfs/dbraw/zinc/28/50/39/500285039.db2.gz MLPCUKRWCPVJFM-GOSISDBHSA-N 0 3 368.477 3.294 50 0 FGAAHN C[C@@H](NC(=O)N1CCC(N2CCSCC2)CC1)c1ccc2[nH]ccc2c1 ZINC000426723865 500311028 /nfs/dbraw/zinc/31/10/28/500311028.db2.gz KQDFACBCKLRAPH-OAHLLOKOSA-N 0 3 372.538 3.452 50 0 FGAAHN Cc1nc2cc(-c3ccc(C(=O)NCCN4CCCCC4)cc3)cnc2[nH]1 ZINC000534639259 504199097 /nfs/dbraw/zinc/19/90/97/504199097.db2.gz FCMYVXWHBDVYNC-UHFFFAOYSA-N 0 3 363.465 3.149 50 0 FGAAHN Cc1c[nH]c([C@@H](C)NC(=O)N(CCc2ccccc2)C2CCN(C)CC2)n1 ZINC000534659702 504207689 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C[C@@H]1CN([C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000020906387 494482750 /nfs/dbraw/zinc/48/27/50/494482750.db2.gz INAJIWAZAPJDNT-RVKKMQEKSA-N 0 3 350.890 3.330 50 0 FGAAHN CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCc1ccccc1CN(C)C ZINC000022276546 494518921 /nfs/dbraw/zinc/51/89/21/494518921.db2.gz YLSKFNYBJRMDQJ-FQEVSTJZSA-N 0 3 373.541 3.086 50 0 FGAAHN Cc1noc2nc(C)cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c12 ZINC000022315150 494520422 /nfs/dbraw/zinc/52/04/22/494520422.db2.gz INXVCUHYFMOCPZ-UHFFFAOYSA-N 0 3 364.449 3.234 50 0 FGAAHN COc1ccc2c(c1)C=C(CN[C@H]1CCCN(Cc3ccccn3)C1)CO2 ZINC000022851442 494538072 /nfs/dbraw/zinc/53/80/72/494538072.db2.gz WWYVRCDLOZDNPT-FQEVSTJZSA-N 0 3 365.477 3.120 50 0 FGAAHN Fc1cccc([C@]2(CN3CCCN(Cc4cccnc4)CC3)CCOC2)c1 ZINC000022892965 494541027 /nfs/dbraw/zinc/54/10/27/494541027.db2.gz STJOARRSGUQUCG-QFIPXVFZSA-N 0 3 369.484 3.087 50 0 FGAAHN CN1CCN(CC[C@@H]2CCCCN2C(=S)Nc2cccc(F)c2)CC1 ZINC000022935565 494543808 /nfs/dbraw/zinc/54/38/08/494543808.db2.gz 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351.349 3.226 50 0 FGAAHN CCOc1ccc(CNCCOc2ccccn2)cc1Br ZINC000057354920 494719984 /nfs/dbraw/zinc/71/99/84/494719984.db2.gz IRAOMGFOWKBKCR-UHFFFAOYSA-N 0 3 351.244 3.411 50 0 FGAAHN COc1cc(CNC[C@@H](c2ccccc2)N2CCCC2)cc2c1OCCO2 ZINC000025362489 494729103 /nfs/dbraw/zinc/72/91/03/494729103.db2.gz IXHKGDLQQXBRLV-IBGZPJMESA-N 0 3 368.477 3.393 50 0 FGAAHN Cc1ccc2ccc3cc(C(=O)NCCN4CCC(C)CC4)[nH]c3c2n1 ZINC000075346771 494734525 /nfs/dbraw/zinc/73/45/25/494734525.db2.gz YCOXFCJJCWLPEC-UHFFFAOYSA-N 0 3 350.466 3.486 50 0 FGAAHN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCC(=O)N(C)C)CC2 ZINC000025918985 494788820 /nfs/dbraw/zinc/78/88/20/494788820.db2.gz KSLUPBDRIYIRNU-HXUWFJFHSA-N 0 3 374.506 3.191 50 0 FGAAHN Cc1c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cnn1C(C)(C)C ZINC000134922627 495224020 /nfs/dbraw/zinc/22/40/20/495224020.db2.gz UFVOSOSQCFIQHO-MAUKXSAKSA-N 0 3 354.498 3.339 50 0 FGAAHN CC(C)CN1CCN(CC2=Cc3cc(Cl)ccc3OC2)C[C@H]1CCO ZINC000104482273 495286194 /nfs/dbraw/zinc/28/61/94/495286194.db2.gz 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CN(C(=O)OCc1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000004266519 493870142 /nfs/dbraw/zinc/87/01/42/493870142.db2.gz XXJCJEOBWAOPCT-VQTJNVASSA-N 0 3 354.450 3.063 50 0 FGAAHN O=C1C[C@@H](NCC2CCCCC2)C(=O)N1c1ccc(Br)cc1 ZINC000004978268 493904695 /nfs/dbraw/zinc/90/46/95/493904695.db2.gz MOXCRWLAQDTOHH-OAHLLOKOSA-N 0 3 365.271 3.251 50 0 FGAAHN CC[C@H](CO)NCc1cc(Cl)c(OCc2cccnc2)c(OC)c1 ZINC000004999719 493907186 /nfs/dbraw/zinc/90/71/86/493907186.db2.gz SZFZSZSNCRJXRQ-OAHLLOKOSA-N 0 3 350.846 3.183 50 0 FGAAHN O=C(c1cccc(Oc2cnccn2)c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000076589077 493930041 /nfs/dbraw/zinc/93/00/41/493930041.db2.gz IQEMYICGGXALFP-GOSISDBHSA-N 0 3 366.465 3.359 50 0 FGAAHN Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC(C)(C)C[NH+](C)C)c1Cl ZINC000006844673 493983114 /nfs/dbraw/zinc/98/31/14/493983114.db2.gz BJKWDPMIFWUZQQ-UHFFFAOYSA-N 0 3 367.342 3.476 50 0 FGAAHN CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000032779875 494015676 /nfs/dbraw/zinc/01/56/76/494015676.db2.gz 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CC(C)n1cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000072137400 494132500 /nfs/dbraw/zinc/13/25/00/494132500.db2.gz VEABNDCYTURHOT-NJDAHSKKSA-N 0 3 364.493 3.166 50 0 FGAAHN O=C(/C=C/c1cc(Br)ccc1F)NCCN1CCCCC1 ZINC000040107516 494132674 /nfs/dbraw/zinc/13/26/74/494132674.db2.gz ABQWPBWRRPKUJU-QPJJXVBHSA-N 0 3 355.251 3.204 50 0 FGAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000040107607 494133265 /nfs/dbraw/zinc/13/32/65/494133265.db2.gz YQPQRDCPOYSYKG-VXGBXAGGSA-N 0 3 357.267 3.296 50 0 FGAAHN Cc1ccc([C@H]2CN(C(=O)c3ccccc3[O-])[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072149640 494134751 /nfs/dbraw/zinc/13/47/51/494134751.db2.gz YPAJNEHJDLCAMK-CEMLEFRQSA-N 0 3 362.473 3.403 50 0 FGAAHN O=C(CCN1CCC[C@@H]1c1ccsc1)N1CCN(c2ccccn2)CC1 ZINC000040154255 494137522 /nfs/dbraw/zinc/13/75/22/494137522.db2.gz UHFYNYFVSZMMQX-GOSISDBHSA-N 0 3 370.522 3.019 50 0 FGAAHN CC1(C)Cc2c(sc3[nH]c(CNCCc4ccccc4)nc(=O)c23)CO1 ZINC000040285220 494139994 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CC(C)CCNC(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255725 494183207 /nfs/dbraw/zinc/18/32/07/494183207.db2.gz IGQYFTRIBGYQNS-LJQANCHMSA-N 0 3 352.482 3.008 50 0 FGAAHN CCCN1CCN(CCNC(=O)c2cc3cn(C(C)C)cc3s2)CC1 ZINC000065285535 494186333 /nfs/dbraw/zinc/18/63/33/494186333.db2.gz OJYZLSYTVOASRO-UHFFFAOYSA-N 0 3 362.543 3.041 50 0 FGAAHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@H]2C(=O)N1c1ccccc1 ZINC000011917797 494197477 /nfs/dbraw/zinc/19/74/77/494197477.db2.gz NRGSUXPIXSRJFZ-CEXWTWQISA-N 0 3 360.369 3.331 50 0 FGAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)CC1 ZINC000011951172 494198448 /nfs/dbraw/zinc/19/84/48/494198448.db2.gz ZHXDKXUCBRQMQV-UHFFFAOYSA-N 0 3 353.466 3.398 50 0 FGAAHN CSc1ccc(CN2CCC(CCC(=O)N3CCOCC3)CC2)cc1 ZINC000012054841 494201729 /nfs/dbraw/zinc/20/17/29/494201729.db2.gz YGLQUOPULIHCJW-UHFFFAOYSA-N 0 3 362.539 3.260 50 0 FGAAHN O=C(NCc1ccco1)[C@H]1CC12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000012132272 494206982 /nfs/dbraw/zinc/20/69/82/494206982.db2.gz 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CC(C)NC(=O)CN(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000075104881 494689633 /nfs/dbraw/zinc/68/96/33/494689633.db2.gz HZTYHLNRGUHONW-UHFFFAOYSA-N 0 3 353.510 3.145 50 0 FGAAHN CC(C)[C@]1(O)CN(C(=O)CC2CCN(Cc3ccccc3)CC2)C[C@H]1C ZINC000091934682 494728226 /nfs/dbraw/zinc/72/82/26/494728226.db2.gz XPVGSFOOEBNANN-XMSQKQJNSA-N 0 3 358.526 3.154 50 0 FGAAHN Oc1ccc([C@@H](O)Cn2cc(-c3cc(CN4CCCC4)cs3)nn2)cc1 ZINC000091973865 494739212 /nfs/dbraw/zinc/73/92/12/494739212.db2.gz QOMJNXIZGRXXBI-SFHVURJKSA-N 0 3 370.478 3.042 50 0 FGAAHN CC(C)n1cc(-c2cn([C@@H]3CCCN(Cc4cccc(O)c4)C3)nn2)cn1 ZINC000091987878 494744330 /nfs/dbraw/zinc/74/43/30/494744330.db2.gz XCAOQKKEUDVINM-GOSISDBHSA-N 0 3 366.469 3.265 50 0 FGAAHN CCn1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)cn1 ZINC000091997661 494747613 /nfs/dbraw/zinc/74/76/13/494747613.db2.gz LXQSZSNVHCLURN-PZJWPPBQSA-N 0 3 366.509 3.072 50 0 FGAAHN Cc1nc(-c2ccccc2)ncc1C(=O)N1C[C@H](N)[C@@H](c2ccccc2)C1 ZINC000092062249 494774700 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CCCc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)n[nH]1 ZINC000095360098 494963681 /nfs/dbraw/zinc/96/36/81/494963681.db2.gz WWMJXGCJUREOBM-PKOBYXMFSA-N 0 3 352.482 3.099 50 0 FGAAHN O=C(NCc1coc(-c2ccccc2)n1)[C@H]1CCCN(Cc2ccco2)C1 ZINC000095358826 494963861 /nfs/dbraw/zinc/96/38/61/494963861.db2.gz MVLHRNQQBQGFPO-KRWDZBQOSA-N 0 3 365.433 3.463 50 0 FGAAHN CSCc1nc(CNC(=O)C2CCN(Cc3ccco3)CC2)cs1 ZINC000095371910 494967770 /nfs/dbraw/zinc/96/77/70/494967770.db2.gz RINSPRQGRPMZPV-UHFFFAOYSA-N 0 3 365.524 3.128 50 0 FGAAHN CCCc1n[nH]cc1C(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095383675 494970861 /nfs/dbraw/zinc/97/08/61/494970861.db2.gz AVNQCWGUPSXMGY-QZTJIDSGSA-N 0 3 352.482 3.099 50 0 FGAAHN Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1O ZINC000095388977 494972915 /nfs/dbraw/zinc/97/29/15/494972915.db2.gz CNLKYSLEUJCJFI-UYAOXDASSA-N 0 3 350.462 3.437 50 0 FGAAHN CCc1ccccc1NC(=O)N1CCC(c2nccn2CCN(C)C)CC1 ZINC000095508005 494983694 /nfs/dbraw/zinc/98/36/94/494983694.db2.gz 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495852133 /nfs/dbraw/zinc/85/21/33/495852133.db2.gz USQZANRWVSKFBT-KRWDZBQOSA-N 0 3 360.255 3.491 50 0 FGAAHN CN(C)CCOC1CCN(C(=O)[C@@]2(c3ccccc3F)CC2(C)C)CC1 ZINC000216304127 496988055 /nfs/dbraw/zinc/98/80/55/496988055.db2.gz DPKORDJUSBMFFY-NRFANRHFSA-N 0 3 362.489 3.063 50 0 FGAAHN Cc1ccc(F)cc1CN1CCN(C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230159766 497103026 /nfs/dbraw/zinc/10/30/26/497103026.db2.gz ZZQKTGXROQVAHV-JOCHJYFZSA-N 0 3 373.516 3.043 50 0 FGAAHN Cc1cn2c(nc(CN3CCCC[C@@H]3CCn3ccnc3C)cc2=O)s1 ZINC000252494849 497306263 /nfs/dbraw/zinc/30/62/63/497306263.db2.gz OGMCHOWLKMAKLU-QGZVFWFLSA-N 0 3 371.510 3.014 50 0 FGAAHN CN1CC[C@H]2CCN(C(=O)Nc3ccccc3OCC(F)(F)F)[C@H]2C1 ZINC000252512737 497309164 /nfs/dbraw/zinc/30/91/64/497309164.db2.gz VEVFHJFWLLDSBF-JSGCOSHPSA-N 0 3 357.376 3.186 50 0 FGAAHN O=C(CCN(CCO)Cc1cccc(Cl)c1)Nc1ccccc1F ZINC000241132856 497352585 /nfs/dbraw/zinc/35/25/85/497352585.db2.gz JMHHHVSEZIOCTQ-UHFFFAOYSA-N 0 3 350.821 3.302 50 0 FGAAHN Cc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)c3ccccn3)C2)cc1F ZINC000244700903 497367697 /nfs/dbraw/zinc/36/76/97/497367697.db2.gz JWAWHCYTUBXNJD-MRXNPFEDSA-N 0 3 369.440 3.453 50 0 FGAAHN CN1C[C@@]2(CCCN(CCC(=O)Nc3cccc4ccccc43)C2)OC1=O ZINC000244708325 497367847 /nfs/dbraw/zinc/36/78/47/497367847.db2.gz KRQPEALVIOYZQG-OAQYLSRUSA-N 0 3 367.449 3.085 50 0 FGAAHN Cc1ccccc1OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000245229344 497377575 /nfs/dbraw/zinc/37/75/75/497377575.db2.gz UZOQXQJVKDYUBB-NHCUHLMSSA-N 0 3 355.478 3.416 50 0 FGAAHN Cc1ccc(CN2CCC[C@H](c3nc(C(C)C)no3)CCNC(=O)CC2)o1 ZINC000257182881 497384954 /nfs/dbraw/zinc/38/49/54/497384954.db2.gz QKHFRJMREMBPCI-INIZCTEOSA-N 0 3 374.485 3.370 50 0 FGAAHN CC(C)N(C)c1ccc(CNc2ccccc2CN2CCC(O)CC2)cn1 ZINC000191100740 497709932 /nfs/dbraw/zinc/70/99/32/497709932.db2.gz OFEBQMYGMNHEED-UHFFFAOYSA-N 0 3 368.525 3.495 50 0 FGAAHN O=C1NCCN1CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000377535624 499701445 /nfs/dbraw/zinc/70/14/45/499701445.db2.gz 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0 FGAAHN CCN1CCC[C@H]1CNC(=O)c1sc2ncccc2c1-n1cccc1 ZINC000015865201 211147927 /nfs/dbraw/zinc/14/79/27/211147927.db2.gz UUANHEIBYRVUHQ-AWEZNQCLSA-N 0 3 354.479 3.301 50 0 FGAAHN C[C@H](CCn1cccn1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000014971507 211109579 /nfs/dbraw/zinc/10/95/79/211109579.db2.gz JQSGUCKCPOXMRC-CQSZACIVSA-N 0 3 366.421 3.104 50 0 FGAAHN CCc1ccc(-c2n[nH]c(SC[C@@H]3CN(CC(C)C)CCO3)n2)cc1 ZINC000014083143 211072328 /nfs/dbraw/zinc/07/23/28/211072328.db2.gz SXRGBGVFELSOSZ-KRWDZBQOSA-N 0 3 360.527 3.483 50 0 FGAAHN COc1cc(NC(=O)CN(C)CC2CCCCC2)cc(OC)c1OC ZINC000012917876 211006586 /nfs/dbraw/zinc/00/65/86/211006586.db2.gz FKXRQDZSCGWLEZ-UHFFFAOYSA-N 0 3 350.459 3.163 50 0 FGAAHN COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC ZINC000065364120 221203573 /nfs/dbraw/zinc/20/35/73/221203573.db2.gz VIXDIGNDIYUIFW-UHFFFAOYSA-N 0 3 370.449 3.429 50 0 FGAAHN C[C@@H]1Cc2cc(NC(=O)c3ccc(CN4CCC(O)CC4)cc3)ccc2O1 ZINC000065417130 221216576 /nfs/dbraw/zinc/21/65/76/221216576.db2.gz 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Cc1ccc2ncccc2c1CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1 ZINC000215493270 496979835 /nfs/dbraw/zinc/97/98/35/496979835.db2.gz QEOHLAIHKHWALX-SFHVURJKSA-N 0 3 360.461 3.219 50 0 FGAAHN Cn1ccnc1[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1ccccc1 ZINC000215943777 496984470 /nfs/dbraw/zinc/98/44/70/496984470.db2.gz VCLMOIVJICRPHT-SFHVURJKSA-N 0 3 352.482 3.034 50 0 FGAAHN COCCN(C)c1ccc(CNC[C@@H](O)c2ccc3ccccc3c2)cn1 ZINC000252498450 497307670 /nfs/dbraw/zinc/30/76/70/497307670.db2.gz RCIYDWRUTBSYOF-OAQYLSRUSA-N 0 3 365.477 3.141 50 0 FGAAHN CCOc1ccc(CN2C[C@@H](c3ccncc3)[C@H](COC)C2)cc1OC ZINC000253402612 497331922 /nfs/dbraw/zinc/33/19/22/497331922.db2.gz GNFHJGATDMNPIA-OALUTQOASA-N 0 3 356.466 3.351 50 0 FGAAHN O=C(CCN1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1)Nc1ccccc1F ZINC000244701247 497367937 /nfs/dbraw/zinc/36/79/37/497367937.db2.gz KCVGPLGQQSJWRX-OAQYLSRUSA-N 0 3 373.472 3.021 50 0 FGAAHN CN(CC1CCN(C)CC1)C(=O)c1ccccc1OC(F)(F)C(F)F ZINC000244817107 497371109 /nfs/dbraw/zinc/37/11/09/497371109.db2.gz 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CC1(C)C[C@]1(C(=O)N1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000216376688 534938777 /nfs/dbraw/zinc/93/87/77/534938777.db2.gz PNNAHPWZNQJAAJ-OAQYLSRUSA-N 0 3 353.441 3.237 50 0 FGAAHN CN1CC[C@](C)(CNS(=O)(=O)c2cccc3cccc(Cl)c32)C1 ZINC000670452200 571352798 /nfs/dbraw/zinc/35/27/98/571352798.db2.gz TWZGLKLHHVBNLU-QGZVFWFLSA-N 0 3 352.887 3.113 50 0 FGAAHN O[C@@H](CN1CCC(c2nnc3ccccn32)CC1)c1cccc(Cl)c1 ZINC000075739541 700217811 /nfs/dbraw/zinc/21/78/11/700217811.db2.gz HWPDRPQHBNLADW-KRWDZBQOSA-N 0 3 356.857 3.296 50 0 FGAAHN Fc1ccc(N2CCC(NCc3cn4c(n3)SCC4)CC2)cc1F ZINC000952980260 762540015 /nfs/dbraw/zinc/54/00/15/762540015.db2.gz VPGMIOSTCGFUIZ-UHFFFAOYSA-N 0 3 350.438 3.026 50 0 FGAAHN CN1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc(C(=O)OC3CCCC3)cc1)C2 ZINC000299782819 529831702 /nfs/dbraw/zinc/83/17/02/529831702.db2.gz GLQRQMPTLJDDQZ-ZWKOTPCHSA-N 0 3 371.481 3.486 50 0 FGAAHN CC(=O)N1CC[C@@H](NC[C@H]2Cc3ccccc3O2)c2ccc(F)cc2C1 ZINC000225614845 222854917 /nfs/dbraw/zinc/85/49/17/222854917.db2.gz 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Cc1cccc2nc([C@@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)[nH]c21 ZINC000072144862 494132981 /nfs/dbraw/zinc/13/29/81/494132981.db2.gz NLFSELQIAZVNOR-MRXNPFEDSA-N 0 3 350.470 3.107 50 0 FGAAHN CCN(CC)[C@@H](CNC(=O)c1cnn(C)c1-n1cccc1)c1ccsc1 ZINC000040107980 494133134 /nfs/dbraw/zinc/13/31/34/494133134.db2.gz ONAOXAKTMCHXDI-KRWDZBQOSA-N 0 3 371.510 3.085 50 0 FGAAHN CCOC(=O)Nc1ccc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1 ZINC000040120656 494133980 /nfs/dbraw/zinc/13/39/80/494133980.db2.gz WQMKENBKLWQISP-LSDHHAIUSA-N 0 3 362.474 3.497 50 0 FGAAHN CCN(CC)[C@H](CNC(=O)c1cnc2onc(C)c2c1)c1ccsc1 ZINC000040121265 494134938 /nfs/dbraw/zinc/13/49/38/494134938.db2.gz ZFUAFYPSRRDZDW-MRXNPFEDSA-N 0 3 358.467 3.406 50 0 FGAAHN Cc1cc(C)n(-c2ccc(F)cc2CN2CCC[C@@]3(CNC(=O)O3)CC2)n1 ZINC000072158446 494138587 /nfs/dbraw/zinc/13/85/87/494138587.db2.gz ZBMFEKQEAKSYAO-FQEVSTJZSA-N 0 3 372.444 3.093 50 0 FGAAHN CN(CCCNC(=O)c1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC000009983420 494139405 /nfs/dbraw/zinc/13/94/05/494139405.db2.gz 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COCCCN1CC2(CCC1=O)CCN(Cc1ccc(C)cc1OC)CC2 ZINC000091877036 494712237 /nfs/dbraw/zinc/71/22/37/494712237.db2.gz GCUVRVHGOJYFNK-UHFFFAOYSA-N 0 3 374.525 3.245 50 0 FGAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccccc3)n(C)n1)C2 ZINC000092107827 494794395 /nfs/dbraw/zinc/79/43/95/494794395.db2.gz OHYNRSVALHTHCL-SJLPKXTDSA-N 0 3 352.482 3.034 50 0 FGAAHN CC(C)CN(CC(=O)N(C)CC(=O)Nc1ccccc1Cl)CC(C)C ZINC000026647411 494833296 /nfs/dbraw/zinc/83/32/96/494833296.db2.gz XNATUPBDGVORCC-UHFFFAOYSA-N 0 3 367.921 3.351 50 0 FGAAHN Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000095358647 494962243 /nfs/dbraw/zinc/96/22/43/494962243.db2.gz SURJPPIRBRWWCF-UHFFFAOYSA-N 0 3 354.498 3.327 50 0 FGAAHN CCn1c(C)cc(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H](N(C)C)C2)c1C ZINC000095359170 494963642 /nfs/dbraw/zinc/96/36/42/494963642.db2.gz DEEYOMGLZGPWOB-LEWJYISDSA-N 0 3 369.509 3.303 50 0 FGAAHN COc1ccc([C@@H]2CN(C(=O)c3ccccc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095361502 494964634 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COC(=O)[C@@H](NC1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000095943536 494990663 /nfs/dbraw/zinc/99/06/63/494990663.db2.gz UQUYQJCTVGMFMF-NRFANRHFSA-N 0 3 370.468 3.337 50 0 FGAAHN CCO[C@@H]1C[C@](CO)(NCc2cnc(-c3ccc(C)o3)s2)C1(C)C ZINC000170602244 495532650 /nfs/dbraw/zinc/53/26/50/495532650.db2.gz UPKWBHXSWKTCAW-CRAIPNDOSA-N 0 3 350.484 3.367 50 0 FGAAHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1OC ZINC000170623942 495536973 /nfs/dbraw/zinc/53/69/73/495536973.db2.gz YCIXSCFFRVMYMO-UHFFFAOYSA-N 0 3 369.314 3.012 50 0 FGAAHN CC(C)CN1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000248217205 496973682 /nfs/dbraw/zinc/97/36/82/496973682.db2.gz GQYGZNQHVLSMCN-XLIONFOSSA-N 0 3 361.505 3.279 50 0 FGAAHN COc1cc2c(cc1CN1CC[C@@](O)(c3ccccc3C)C1)OCCCO2 ZINC000215115287 496977327 /nfs/dbraw/zinc/97/73/27/496977327.db2.gz PVLFANLIXZNHKV-QFIPXVFZSA-N 0 3 369.461 3.258 50 0 FGAAHN Cc1ccccc1[C@]1(O)CCN(Cc2cc(F)ccc2-n2cccn2)C1 ZINC000215266633 496978483 /nfs/dbraw/zinc/97/84/83/496978483.db2.gz GAGXKQWHFCSILX-NRFANRHFSA-N 0 3 351.425 3.413 50 0 FGAAHN CN(C)Cc1csc(CN2CCCn3nc([C@H](O)C4CCC4)cc3C2)c1 ZINC000218810216 497005651 /nfs/dbraw/zinc/00/56/51/497005651.db2.gz CWOXMPWCFVEJRJ-HXUWFJFHSA-N 0 3 374.554 3.246 50 0 FGAAHN CN1CCN(CCOc2ccccc2CN2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000219894909 497011801 /nfs/dbraw/zinc/01/18/01/497011801.db2.gz DMJVSXVWGIXWQB-SFTDATJTSA-N 0 3 371.569 3.325 50 0 FGAAHN CCc1nccn1CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000219942294 497012370 /nfs/dbraw/zinc/01/23/70/497012370.db2.gz BUIINAPRRVJVBM-IBGZPJMESA-N 0 3 354.498 3.007 50 0 FGAAHN Cc1nccc(C2CCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)n1 ZINC000244778722 497369855 /nfs/dbraw/zinc/36/98/55/497369855.db2.gz PVFVYMZLJRQMSS-INIZCTEOSA-N 0 3 352.482 3.232 50 0 FGAAHN Cc1ccc(CN(C[C@@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000245229066 497377727 /nfs/dbraw/zinc/37/77/27/497377727.db2.gz MHYINGGPUMBTAQ-IFMALSPDSA-N 0 3 355.478 3.416 50 0 FGAAHN COc1ccc(CN(C[C@@H](O)COc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000245229100 497377767 /nfs/dbraw/zinc/37/77/67/497377767.db2.gz NDXFWIOMTIWYRB-DENIHFKCSA-N 0 3 371.477 3.116 50 0 FGAAHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1ccc2c(c1)COC2 ZINC000193875124 497508101 /nfs/dbraw/zinc/50/81/01/497508101.db2.gz UKBIIQGYVHKPQP-QGZVFWFLSA-N 0 3 351.450 3.360 50 0 FGAAHN C/C=C(\C)CN1CCC[C@H](c2nnc(SCCN3CCCC3)n2C)C1 ZINC000299796789 497926530 /nfs/dbraw/zinc/92/65/30/497926530.db2.gz OMIQGADQOJJMKE-DEKXCNBGSA-N 0 3 363.575 3.149 50 0 FGAAHN Cc1nsc(C)c1C(=O)N[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000292506460 498041279 /nfs/dbraw/zinc/04/12/79/498041279.db2.gz CVASUVIPWIVXGP-MRXNPFEDSA-N 0 3 371.506 3.478 50 0 FGAAHN CC[C@@H]1CN(C(=O)c2cccc(-c3ccc(N)nc3C)c2)CCN1C(C)C ZINC000426495549 500280217 /nfs/dbraw/zinc/28/02/17/500280217.db2.gz AUDHTFASVAQISO-LJQANCHMSA-N 0 3 366.509 3.414 50 0 FGAAHN COc1cc(OC)cc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)cc2)c1 ZINC000426597242 500292915 /nfs/dbraw/zinc/29/29/15/500292915.db2.gz OVFNHDMEGITRIY-GOSISDBHSA-N 0 3 354.450 3.147 50 0 FGAAHN CCn1ncnc1[C@H](C)NC(=O)c1cccc(CN2CCCCCC2)c1 ZINC000426673959 500305091 /nfs/dbraw/zinc/30/50/91/500305091.db2.gz ARYGSTOSXKWBSB-INIZCTEOSA-N 0 3 355.486 3.165 50 0 FGAAHN Cc1[nH]nc(C2CC2)c1-c1cccc(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000534644108 504201742 /nfs/dbraw/zinc/20/17/42/504201742.db2.gz WIGLVEBKJBAKIW-UHFFFAOYSA-N 0 3 352.482 3.429 50 0 FGAAHN Cc1n[nH]c(C2CC2)c1-c1cccc(C(=O)N(C)C2CCN(C)CC2)c1 ZINC000534644108 504201749 /nfs/dbraw/zinc/20/17/49/504201749.db2.gz WIGLVEBKJBAKIW-UHFFFAOYSA-N 0 3 352.482 3.429 50 0 FGAAHN O=C(NCCN1CCCC1)c1cccc(-c2cc3ccccc3[nH]c2=O)c1 ZINC000534650506 504203223 /nfs/dbraw/zinc/20/32/23/504203223.db2.gz NOBQKGFSMBJVOB-UHFFFAOYSA-N 0 3 361.445 3.433 50 0 FGAAHN Cc1ccccc1[C@H](CNC(=O)N1CC(Oc2ccc(F)cc2)C1)N(C)C ZINC000534655052 504205396 /nfs/dbraw/zinc/20/53/96/504205396.db2.gz HYTFFTIGGMGODK-FQEVSTJZSA-N 0 3 371.456 3.210 50 0 FGAAHN CC(C)N1CCC[C@H]1CNC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584902443 507563759 /nfs/dbraw/zinc/56/37/59/507563759.db2.gz WZLSUSNJYWXNAE-SFHVURJKSA-N 0 3 373.476 3.230 50 0 FGAAHN O[C@H](c1ccncc1)c1ccc2c(c1)CN(C1CCSCC1)CCO2 ZINC000299770687 534435289 /nfs/dbraw/zinc/43/52/89/534435289.db2.gz VFIZAJUIHNRDFC-HXUWFJFHSA-N 0 3 356.491 3.253 50 0 FGAAHN CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000240407401 519673758 /nfs/dbraw/zinc/67/37/58/519673758.db2.gz FLYOSIMGBHQVTC-BEFAXECRSA-N 0 3 365.468 3.170 50 0 FGAAHN CCCN1CCCn2nc(CNC(=O)Nc3ccc(OCC)cc3)cc2C1 ZINC000082120241 519854749 /nfs/dbraw/zinc/85/47/49/519854749.db2.gz HQMLJZJFIHVGBZ-UHFFFAOYSA-N 0 3 371.485 3.219 50 0 FGAAHN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NC1CCN(CCc2ccncc2)CC1 ZINC000241338672 524366301 /nfs/dbraw/zinc/36/63/01/524366301.db2.gz MCWLSFXHFRIMIV-YRWFTTLQSA-N 0 3 358.530 3.212 50 0 FGAAHN O=C1CCC2(CCN(CCOCc3ccccc3)CC2)CN1CC1CC1 ZINC000091321884 526965061 /nfs/dbraw/zinc/96/50/61/526965061.db2.gz HENLLEHKQVAFOW-UHFFFAOYSA-N 0 3 356.510 3.318 50 0 FGAAHN CC(C)=CCN1CCC2(CC[C@H](CNC(=O)/C=C/c3ccncc3)O2)CC1 ZINC000299788439 527430523 /nfs/dbraw/zinc/43/05/23/527430523.db2.gz SDBPSEHBKCNDST-WUUFJKRQSA-N 0 3 369.509 3.191 50 0 FGAAHN CN(Cc1cnccn1)C(=O)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000426436842 570605834 /nfs/dbraw/zinc/60/58/34/570605834.db2.gz YUNNFCRJRWKQSV-HXUWFJFHSA-N 0 3 367.497 3.235 50 0 FGAAHN OCCn1ccc([C@@H]2CCCN(Cc3cnc(-c4ccccc4)s3)C2)n1 ZINC000426370508 571216122 /nfs/dbraw/zinc/21/61/22/571216122.db2.gz PNTAGZBIHGBRCP-QGZVFWFLSA-N 0 3 368.506 3.379 50 0 FGAAHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC2(CCOCC2)CC1 ZINC000426442036 571225515 /nfs/dbraw/zinc/22/55/15/571225515.db2.gz VCJZVOTVOUUPPC-HXUWFJFHSA-N 0 3 371.525 3.253 50 0 FGAAHN CCc1cnc(C)nc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)N3C)c1 ZINC000426471334 571227043 /nfs/dbraw/zinc/22/70/43/571227043.db2.gz INKXWDYKIPPGGU-VQTJNVASSA-N 0 3 364.493 3.323 50 0 FGAAHN CN1CC[C@](C)(CNC(=O)c2ccc(OCc3ccccc3F)cc2)C1 ZINC000670453647 571353487 /nfs/dbraw/zinc/35/34/87/571353487.db2.gz MMHSBULNXKPFFX-OAQYLSRUSA-N 0 3 356.441 3.476 50 0 FGAAHN CC(C)(C)c1nc2ccc(NC(=O)c3n[nH]c4c3CNCC4)cc2s1 ZINC000188520721 712771370 /nfs/dbraw/zinc/77/13/70/712771370.db2.gz HZHFDZDFHOTJGK-UHFFFAOYSA-N 0 3 355.467 3.215 50 0 FGAAHN Cc1cccc2c1[nH]c(C)c(CC[C@@H](C)NCc1csc(N)n1)c2=O ZINC000952966104 762536998 /nfs/dbraw/zinc/53/69/98/762536998.db2.gz CAGBORSPWLKVBN-GFCCVEGCSA-N 0 3 356.495 3.295 50 0 FGAAHN CN1CC2(C(=O)c3ccccc3)CN(C)CC(C(=O)c3ccccc3)(C1)C2 ZINC000002097557 219426521 /nfs/dbraw/zinc/42/65/21/219426521.db2.gz XLTCWWYMHRPXER-UHFFFAOYSA-N 0 3 362.473 3.006 50 0 FGAAHN O=C(Nc1ccc2scnc2c1)N1CCC(N2CCSCC2)CC1 ZINC000299755769 223081931 /nfs/dbraw/zinc/08/19/31/223081931.db2.gz CSPAWJUWMXVASG-UHFFFAOYSA-N 0 3 362.524 3.341 50 0 FGAAHN O=C(CSCCN1CCCC1)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000299776079 223091764 /nfs/dbraw/zinc/09/17/64/223091764.db2.gz NIDQDAQCAKDQNR-FQEVSTJZSA-N 0 3 373.497 3.255 50 0 FGAAHN Cc1cc(=O)cc(C(=O)NC[C@H](c2ccccc2)N2CCCCCC2)n1C ZINC000299780823 223093156 /nfs/dbraw/zinc/09/31/56/223093156.db2.gz CUKDSLCFTUDOOL-OAQYLSRUSA-N 0 3 367.493 3.041 50 0 FGAAHN COc1ccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c2ccccc12 ZINC000299782024 223095114 /nfs/dbraw/zinc/09/51/14/223095114.db2.gz IQBVNGMVEOJIOT-KRWDZBQOSA-N 0 3 368.477 3.222 50 0 FGAAHN O=C(CC1CCN(Cc2ccccc2)CC1)N1CCC[C@]2(CCOC2)C1 ZINC000299785023 223096801 /nfs/dbraw/zinc/09/68/01/223096801.db2.gz RCMUMTFCGPGHID-QFIPXVFZSA-N 0 3 356.510 3.318 50 0 FGAAHN CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1ccccc1 ZINC000012525201 220003215 /nfs/dbraw/zinc/00/32/15/220003215.db2.gz URNAOSUGKFDDMZ-GOSISDBHSA-N 0 3 352.413 3.249 50 0 FGAAHN Cc1c(CN2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)cnn1C ZINC000012764421 220026667 /nfs/dbraw/zinc/02/66/67/220026667.db2.gz YXCPQWARIMYKMM-NRFANRHFSA-N 0 3 358.530 3.123 50 0 FGAAHN CCc1ccc([C@H](CNC(=O)c2cccc(OC)c2OC)N(C)C)cc1 ZINC000012788591 220030191 /nfs/dbraw/zinc/03/01/91/220030191.db2.gz HFEWJCLKJJIEBC-SFHVURJKSA-N 0 3 356.466 3.299 50 0 FGAAHN CC(C)CN1C(=O)N(C)C2(CCN(Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014754838 220131869 /nfs/dbraw/zinc/13/18/69/220131869.db2.gz XZTFEJSNTBPVMG-UHFFFAOYSA-N 0 3 368.481 3.053 50 0 FGAAHN Cc1cccc(C(=O)N2CC[C@H](C3CCN(Cc4cccnc4)CC3)C2)n1 ZINC000015075199 220146012 /nfs/dbraw/zinc/14/60/12/220146012.db2.gz MMXZIUSRSCNHCD-FQEVSTJZSA-N 0 3 364.493 3.159 50 0 FGAAHN O=C1NC2(CCCC2)C(=O)N1CCCNCc1cccc(Cl)c1Cl ZINC000015184149 220149866 /nfs/dbraw/zinc/14/98/66/220149866.db2.gz AIQDWZNZKMPZSH-UHFFFAOYSA-N 0 3 370.280 3.338 50 0 FGAAHN O=C(NCCN1CCCCCC1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786976 220164915 /nfs/dbraw/zinc/16/49/15/220164915.db2.gz WTPSVFJOHHKIDK-UHFFFAOYSA-N 0 3 354.498 3.369 50 0 FGAAHN CN(Cc1ccccc1)[C@H]1CCCN(Cc2ccccc2OCCO)C1 ZINC000019740313 220292558 /nfs/dbraw/zinc/29/25/58/220292558.db2.gz YFSGOIUUQMMHEW-NRFANRHFSA-N 0 3 354.494 3.154 50 0 FGAAHN CC(C)Cc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000019740655 220292626 /nfs/dbraw/zinc/29/26/26/220292626.db2.gz OAWWQAHEBMNYGE-GOSISDBHSA-N 0 3 357.498 3.359 50 0 FGAAHN COc1ccc(CN2CCN([C@H]3CCC[C@H](C)C3)CC2)c(OC)c1OC ZINC000019831875 220300707 /nfs/dbraw/zinc/30/07/07/220300707.db2.gz MAZIYKRIDNCDSX-WMZOPIPTSA-N 0 3 362.514 3.409 50 0 FGAAHN O[C@H]1[C@H](n2ccnc2)c2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000020117959 220314033 /nfs/dbraw/zinc/31/40/33/220314033.db2.gz AQHPREWWRDSCSJ-UXHICEINSA-N 0 3 365.502 3.442 50 0 FGAAHN OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCN1CC1CCCCC1 ZINC000020600542 220335478 /nfs/dbraw/zinc/33/54/78/220335478.db2.gz VXWPLWPIOCEOGE-HXUWFJFHSA-N 0 3 352.469 3.414 50 0 FGAAHN COc1c(Br)cc(CNC(C)(C)CO)cc1Br ZINC000020927131 220346186 /nfs/dbraw/zinc/34/61/86/220346186.db2.gz DHFHQEQINVNVAP-UHFFFAOYSA-N 0 3 367.081 3.081 50 0 FGAAHN Cc1nc2ccccc2nc1CN1CCN(C2CCCCC2)[C@@H](CCO)C1 ZINC000020996633 220348263 /nfs/dbraw/zinc/34/82/63/220348263.db2.gz WDJMGCKOUSNBQX-IBGZPJMESA-N 0 3 368.525 3.140 50 0 FGAAHN CCc1cccc(C)c1NC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000021868589 220369142 /nfs/dbraw/zinc/36/91/42/220369142.db2.gz ZPRZVCRMTNWECK-UHFFFAOYSA-N 0 3 356.466 3.224 50 0 FGAAHN CCc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1 ZINC000023127631 220413518 /nfs/dbraw/zinc/41/35/18/220413518.db2.gz VAMQCAJDXSXJLZ-UHFFFAOYSA-N 0 3 372.534 3.440 50 0 FGAAHN C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C[NH+]1CCCC1 ZINC000048290554 221005412 /nfs/dbraw/zinc/00/54/12/221005412.db2.gz FMBZVBOBADALHM-NSHDSACASA-N 0 3 351.299 3.004 50 0 FGAAHN C[C@H](NCc1ccc(F)c(F)c1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744725 221014393 /nfs/dbraw/zinc/01/43/93/221014393.db2.gz STKMCOOPYUTZPD-ZDUSSCGKSA-N 0 3 360.404 3.473 50 0 FGAAHN O=C(CCc1c(F)cccc1F)NCCCN1CCc2ccccc2C1 ZINC000048156659 221000226 /nfs/dbraw/zinc/00/02/26/221000226.db2.gz FLVFOVCZSWMIAS-UHFFFAOYSA-N 0 3 358.432 3.462 50 0 FGAAHN COc1ccc(OC)c(CN(C(=O)C2CCN(C)CC2)C2CCCC2)c1 ZINC000055074094 221059223 /nfs/dbraw/zinc/05/92/23/221059223.db2.gz URRFVLOWMKTCTH-UHFFFAOYSA-N 0 3 360.498 3.317 50 0 FGAAHN Cc1ccc(CN(CCN(C)C)Cc2cccn2-c2ncccn2)s1 ZINC000055228612 221063398 /nfs/dbraw/zinc/06/33/98/221063398.db2.gz 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221203639 /nfs/dbraw/zinc/20/36/39/221203639.db2.gz UYOZFSLXMZVBNV-UHFFFAOYSA-N 0 3 374.876 3.272 50 0 FGAAHN COCCN1CC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000065474656 221223779 /nfs/dbraw/zinc/22/37/79/221223779.db2.gz XMMYDSRTHPXBSW-INIZCTEOSA-N 0 3 364.917 3.236 50 0 FGAAHN CCN1CCC[C@@H]1CNC(=S)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000065511817 221228333 /nfs/dbraw/zinc/22/83/33/221228333.db2.gz PLEQLUWSSWFVCB-IUODEOHRSA-N 0 3 353.919 3.112 50 0 FGAAHN Cc1ccccc1CN1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 ZINC000067649703 221265022 /nfs/dbraw/zinc/26/50/22/221265022.db2.gz ZRZMLZXPNIQKLY-LJQANCHMSA-N 0 3 362.477 3.259 50 0 FGAAHN c1coc(-c2nc(CNc3nc(-c4ccccc4)nc4c3CCNC4)no2)c1 ZINC000067771253 221282984 /nfs/dbraw/zinc/28/29/84/221282984.db2.gz OVIPFSLNFUSHIM-UHFFFAOYSA-N 0 3 374.404 3.044 50 0 FGAAHN CC(C)c1noc([C@H]2CCCN(Cc3cc4ccccc4[nH]c3=O)C2)n1 ZINC000067934372 221306973 /nfs/dbraw/zinc/30/69/73/221306973.db2.gz CYCZSHZNLSEPBN-HNNXBMFYSA-N 0 3 352.438 3.414 50 0 FGAAHN 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C[C@H]1Cc2cc(CN3CCC4(CC3)Nc3ccccc3NC4=O)ccc2O1 ZINC000082146815 493981295 /nfs/dbraw/zinc/98/12/95/493981295.db2.gz MKQLPNGGMDXULP-HNNXBMFYSA-N 0 3 363.461 3.409 50 0 FGAAHN COc1cc(CNCc2ccccc2)ccc1OCC(=O)NC(C)(C)C ZINC000006882462 493985196 /nfs/dbraw/zinc/98/51/96/493985196.db2.gz UHQJNVNSXMRHCL-UHFFFAOYSA-N 0 3 356.466 3.279 50 0 FGAAHN O=C(NCCCN1CCc2ccccc2C1)c1noc2c1CCCCC2 ZINC000007000091 493993104 /nfs/dbraw/zinc/99/31/04/493993104.db2.gz PJLANIPROFVTQN-UHFFFAOYSA-N 0 3 353.466 3.122 50 0 FGAAHN O=C1CC[C@@]2(CCCN(Cc3ccc(-n4ccnc4)cc3)C2)CN1C1CC1 ZINC000077456142 494087717 /nfs/dbraw/zinc/08/77/17/494087717.db2.gz NTSVFFGXTNJBSN-JOCHJYFZSA-N 0 3 364.493 3.239 50 0 FGAAHN COCCCN1C[C@@]2(CCCN(Cc3ccc(OC)cc3C)C2)CCC1=O ZINC000077487851 494094047 /nfs/dbraw/zinc/09/40/47/494094047.db2.gz GTLZESKLMMHKET-QFIPXVFZSA-N 0 3 374.525 3.245 50 0 FGAAHN CCCN(CCC)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000036744650 494097590 /nfs/dbraw/zinc/09/75/90/494097590.db2.gz CAHACJDAZGCDHE-HNNXBMFYSA-N 0 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ZINC000091809094 494687501 /nfs/dbraw/zinc/68/75/01/494687501.db2.gz JYMMFEODUQESGW-SFHVURJKSA-N 0 3 369.509 3.420 50 0 FGAAHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNCc1cccc(O)c1 ZINC000075108068 494691344 /nfs/dbraw/zinc/69/13/44/494691344.db2.gz ITPAOCWCDCEOHH-XJKSGUPXSA-N 0 3 350.459 3.242 50 0 FGAAHN O=C(c1ccccn1)N1C[C@@H]2CC[C@H](C1)N(CCSc1ccccc1)C2 ZINC000091820109 494691374 /nfs/dbraw/zinc/69/13/74/494691374.db2.gz CFJJIRBPIAPTME-QZTJIDSGSA-N 0 3 367.518 3.410 50 0 FGAAHN COc1ccc(CNC[C@H]2COc3ccccc3O2)cc1OC(F)F ZINC000025261840 494713580 /nfs/dbraw/zinc/71/35/80/494713580.db2.gz AVZQUBJWLSVQKI-ZDUSSCGKSA-N 0 3 351.349 3.226 50 0 FGAAHN COc1ccc(C2(C(=O)N3C[C@@H]4CC[C@H](C3)N(C)C4)CCCC2)cc1OC ZINC000091892852 494716344 /nfs/dbraw/zinc/71/63/44/494716344.db2.gz HWEXMXACRLDGCC-SJLPKXTDSA-N 0 3 372.509 3.068 50 0 FGAAHN Cc1ccc(CN2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)o1 ZINC000091997259 494747486 /nfs/dbraw/zinc/74/74/86/494747486.db2.gz JTOPGFUKRGPEAI-NRFANRHFSA-N 0 3 368.481 3.091 50 0 FGAAHN CCn1ccnc1[C@H]1CCCN(CCC(=O)N2CCc3ccccc3C2)C1 ZINC000092003462 494749331 /nfs/dbraw/zinc/74/93/31/494749331.db2.gz NWQREOTYNOCWRJ-FQEVSTJZSA-N 0 3 366.509 3.057 50 0 FGAAHN CCN1CC[C@@]2(CN(Cc3oc4ccccc4c3C)CCN2C)CCC1=O ZINC000092078142 494781634 /nfs/dbraw/zinc/78/16/34/494781634.db2.gz VJZFALQXDNYTNO-JOCHJYFZSA-N 0 3 369.509 3.260 50 0 FGAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(-c3ccc(C)o3)cc1)C2 ZINC000092099032 494789859 /nfs/dbraw/zinc/78/98/59/494789859.db2.gz SGXSBMQZZOKUDU-YLJYHZDGSA-N 0 3 368.477 3.438 50 0 FGAAHN O=C(CCc1nc2ccccc2[nH]1)NC1CCN(Cc2ccccc2)CC1 ZINC000026456994 494825730 /nfs/dbraw/zinc/82/57/30/494825730.db2.gz NZTADGFUBVOOTM-UHFFFAOYSA-N 0 3 362.477 3.276 50 0 FGAAHN COCCCCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095379030 494969437 /nfs/dbraw/zinc/96/94/37/494969437.db2.gz AVDIFRXOROTYEL-KSEOMHKRSA-N 0 3 374.500 3.421 50 0 FGAAHN COc1ccc([C@@H]2CN(C(=O)CCc3ccsc3)C[C@H]2N(C)C)cc1 ZINC000095386253 494971959 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CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(-c2c(F)cccc2F)cc1 ZINC000426530485 500286139 /nfs/dbraw/zinc/28/61/39/500286139.db2.gz PRYRQVVYWGWDKG-OALUTQOASA-N 0 3 374.431 3.469 50 0 FGAAHN Cc1cnn(CCCNC(=O)c2cccc(CN3CCCCCC3)c2)c1 ZINC000426544362 500287579 /nfs/dbraw/zinc/28/75/79/500287579.db2.gz HYEFMHDHILGIIS-UHFFFAOYSA-N 0 3 354.498 3.388 50 0 FGAAHN CO[C@]12CCN(Cc3cccc(O)c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426546116 500287787 /nfs/dbraw/zinc/28/77/87/500287787.db2.gz INKPBAKDWCRJGK-IRFCIJBXSA-N 0 3 354.450 3.378 50 0 FGAAHN O=C(NCCN1CCCC1)c1ccc(-c2ccc3c(=O)ccoc3c2)cc1 ZINC000426668947 500304199 /nfs/dbraw/zinc/30/41/99/500304199.db2.gz FSRDUPGBVWGMOV-UHFFFAOYSA-N 0 3 362.429 3.286 50 0 FGAAHN Cc1c(Cl)cccc1-c1cccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c1 ZINC000426674339 500305002 /nfs/dbraw/zinc/30/50/02/500305002.db2.gz WFPWVGHBCVIWNG-OAQYLSRUSA-N 0 3 372.896 3.454 50 0 FGAAHN C[C@@H](CNC(=O)N(CCc1ccc(Cl)cc1)Cc1cccnc1)N(C)C ZINC000534674593 504212066 /nfs/dbraw/zinc/21/20/66/504212066.db2.gz HGYUJNISZGMEBE-INIZCTEOSA-N 0 3 374.916 3.439 50 0 FGAAHN CC(C)Cc1cc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)n(C)n1 ZINC000082146694 519428983 /nfs/dbraw/zinc/42/89/83/519428983.db2.gz WTDMPUMRUOFNIC-UHFFFAOYSA-N 0 3 368.525 3.012 50 0 FGAAHN CCN1CCC[C@@H]1CNCc1cc(Br)cc(OC)c1OC ZINC000020968340 521638878 /nfs/dbraw/zinc/63/88/78/521638878.db2.gz LAVBMQNLNQAOGQ-CQSZACIVSA-N 0 3 357.292 3.040 50 0 FGAAHN CN(C)Cc1csc(CN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c1 ZINC000091381673 521937660 /nfs/dbraw/zinc/93/76/60/521937660.db2.gz GGSCHVUXLGVICE-ZWKOTPCHSA-N 0 3 361.555 3.033 50 0 FGAAHN CN1CCC(n2nc(Cc3cccc(Cl)c3)nc2Cn2ccnc2)CC1 ZINC000091550638 523786028 /nfs/dbraw/zinc/78/60/28/523786028.db2.gz GNUDBHFOGOKJMP-UHFFFAOYSA-N 0 3 370.888 3.034 50 0 FGAAHN Cc1cccc(N2CCN(CCC(=O)N(C)[C@H](C)c3ccncc3)CC2)c1 ZINC000081021558 524554164 /nfs/dbraw/zinc/55/41/64/524554164.db2.gz ZPFKPDDTEUVVOV-LJQANCHMSA-N 0 3 366.509 3.122 50 0 FGAAHN Cn1ccnc1SCC(=O)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000299755125 534796513 /nfs/dbraw/zinc/79/65/13/534796513.db2.gz AHONUPBWHZASOU-SFHVURJKSA-N 0 3 372.538 3.246 50 0 FGAAHN C[C@@H]1C[C@@H](NC(=O)COc2ccccc2F)CCN1Cc1ccccc1 ZINC000079024603 525252575 /nfs/dbraw/zinc/25/25/75/525252575.db2.gz FOWPIOQGJMJIDA-AEFFLSMTSA-N 0 3 356.441 3.374 50 0 FGAAHN Clc1cccc(-c2ccnc(NCc3cc4n(n3)CCCNC4)n2)c1 ZINC000082137430 526971848 /nfs/dbraw/zinc/97/18/48/526971848.db2.gz HIGCJAROROJTKE-UHFFFAOYSA-N 0 3 354.845 3.099 50 0 FGAAHN CCN1CCC(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)CC1 ZINC000047432270 570888047 /nfs/dbraw/zinc/88/80/47/570888047.db2.gz YPJBICHKKZSVBR-UHFFFAOYSA-N 0 3 366.509 3.491 50 0 FGAAHN COc1cccc2ccc(CN3CCN(C4CCCC4)[C@H](CCO)C3)nc21 ZINC000039364488 571142215 /nfs/dbraw/zinc/14/22/15/571142215.db2.gz IMYRBJQKZOPMCP-HXUWFJFHSA-N 0 3 369.509 3.055 50 0 FGAAHN O[C@@H](CN[C@@H]1CCCOc2c(Br)cccc21)c1ccncc1 ZINC000090709027 571186619 /nfs/dbraw/zinc/18/66/19/571186619.db2.gz UKHWODDRCMWBAA-CVEARBPZSA-N 0 3 363.255 3.381 50 0 FGAAHN CCN1CCC[C@H]1CNC(=O)c1cccc(-c2ccc(O)c(OC)c2)c1 ZINC000426414814 571222366 /nfs/dbraw/zinc/22/23/66/571222366.db2.gz VHKJQJVSSSJLGB-SFHVURJKSA-N 0 3 354.450 3.282 50 0 FGAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cccc(N(C)C)c2)C1 ZINC000670443499 571349392 /nfs/dbraw/zinc/34/93/92/571349392.db2.gz SUXKRQDSEJRHEW-LJQANCHMSA-N 0 3 351.494 3.280 50 0 FGAAHN