smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNCc1ccc(CN(CC(F)(F)F)C2CC2)o1 ZINC000052503521 519996574 /nfs/dbraw/zinc/99/65/74/519996574.db2.gz IAUWWHLQGHEIKR-UHFFFAOYSA-N 0 3 276.302 2.916 10 0 CFAEHN CCN[C@H](Cc1cccc(Cl)c1)c1ccnn1C ZINC000069467319 520201955 /nfs/dbraw/zinc/20/19/55/520201955.db2.gz AVROQRHRSCEYEW-CYBMUJFWSA-N 0 3 263.772 2.967 10 0 CFAEHN CNCc1coc(COc2cc(F)cc(F)c2)c1 ZINC000054934530 522149199 /nfs/dbraw/zinc/14/91/99/522149199.db2.gz JCEDYLZPMWYWCR-UHFFFAOYSA-N 0 3 253.248 2.856 10 0 CFAEHN CSC[C@H](O)CN[C@H](C)c1ccc(Cl)s1 ZINC000188340696 533797201 /nfs/dbraw/zinc/79/72/01/533797201.db2.gz LVDACDWEJWYJEL-HTQZYQBOSA-N 0 3 265.831 2.776 10 0 CFAEHN CC(C)(C)[C@H](O)CNCc1ccc(Br)o1 ZINC000308825126 518969470 /nfs/dbraw/zinc/96/94/70/518969470.db2.gz ABMNEVOCUDHMOX-SECBINFHSA-N 0 3 276.174 2.539 10 0 CFAEHN CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCN2)n1 ZINC000049499979 519085190 /nfs/dbraw/zinc/08/51/90/519085190.db2.gz XVNRXSVWIFRDPR-VIFPVBQESA-N 0 3 267.398 2.521 10 0 CFAEHN CC(C)(CC(=O)N1CCN2CCC[C@H]2C1)c1ccccc1 ZINC000195338983 519186441 /nfs/dbraw/zinc/18/64/41/519186441.db2.gz COZPEIFQHWUTHR-INIZCTEOSA-N 0 3 286.419 2.661 10 0 CFAEHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@H]1CC=CCC1 ZINC000069209158 519338468 /nfs/dbraw/zinc/33/84/68/519338468.db2.gz GXLRCSAHPYDMPU-LSDHHAIUSA-N 0 3 281.444 2.618 10 0 CFAEHN CC(C)CCOCCN1CCc2c(N)cccc2C1 ZINC000049267783 519666319 /nfs/dbraw/zinc/66/63/19/519666319.db2.gz ZYLPDIURAJNLCQ-UHFFFAOYSA-N 0 3 262.397 2.690 10 0 CFAEHN CC(C)CCO[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C ZINC000068894611 519670534 /nfs/dbraw/zinc/67/05/34/519670534.db2.gz PBELHMJKNXVGBO-LSDHHAIUSA-N 0 3 286.460 2.530 10 0 CFAEHN CC(C)NCc1ccc(Oc2cccc(F)c2)nn1 ZINC000051549825 519727093 /nfs/dbraw/zinc/72/70/93/519727093.db2.gz MTTWGOOFQQUFMF-UHFFFAOYSA-N 0 3 261.300 2.906 10 0 CFAEHN CC(C)NCc1occc1COCC(F)(F)F ZINC000052601529 519730113 /nfs/dbraw/zinc/73/01/13/519730113.db2.gz OMPXTLDPASGQIU-UHFFFAOYSA-N 0 3 251.248 2.857 10 0 CFAEHN CC(C)NCc1oc2ccccc2c1CN1CCOCC1 ZINC000052377785 519730262 /nfs/dbraw/zinc/73/02/62/519730262.db2.gz PKKKYVOFMDGDFM-UHFFFAOYSA-N 0 3 288.391 2.763 10 0 CFAEHN CC(C)c1cc(N[C@H](CN(C)C)C(C)C)ncn1 ZINC000049218361 519833652 /nfs/dbraw/zinc/83/36/52/519833652.db2.gz YRTXKQWQFNWLOK-CYBMUJFWSA-N 0 3 250.390 2.598 10 0 CFAEHN CCC1CCC(NCc2c(OC)ncnc2OC)CC1 ZINC000049117406 519856674 /nfs/dbraw/zinc/85/66/74/519856674.db2.gz RCHSVCSTSRVPBL-UHFFFAOYSA-N 0 3 279.384 2.552 10 0 CFAEHN CCCN1CCN(Cc2occc2CNC(C)(C)C)CC1 ZINC000052421844 519859348 /nfs/dbraw/zinc/85/93/48/519859348.db2.gz JETMKHGRULTGKO-UHFFFAOYSA-N 0 3 293.455 2.695 10 0 CFAEHN CCCC1CCN(C[C@@](C)(NC(C)C)C(=O)OCC)CC1 ZINC000050905680 519901592 /nfs/dbraw/zinc/90/15/92/519901592.db2.gz FVYYNVCAWOEVQJ-QGZVFWFLSA-N 0 3 298.471 2.818 10 0 CFAEHN CCNC(C)(C)C(=O)Nc1cccc(SC)c1 ZINC000061278617 519908032 /nfs/dbraw/zinc/90/80/32/519908032.db2.gz XUUNNTKRLAOQIF-UHFFFAOYSA-N 0 3 252.383 2.735 10 0 CFAEHN CCCNCc1ccccc1OCC(=O)NC(C)(C)CC ZINC000049281521 519957156 /nfs/dbraw/zinc/95/71/56/519957156.db2.gz CXRPJTLXIMUXKT-UHFFFAOYSA-N 0 3 292.423 2.870 10 0 CFAEHN CCNCc1c[nH]c(-c2nccc3ccccc32)n1 ZINC000069316364 519985353 /nfs/dbraw/zinc/98/53/53/519985353.db2.gz XEJKXTBONVGUAR-UHFFFAOYSA-N 0 3 252.321 2.734 10 0 CFAEHN CCNCc1cc(OCc2ccccc2F)ccn1 ZINC000069285890 519993938 /nfs/dbraw/zinc/99/39/38/519993938.db2.gz WCXXYOGXJCNGLT-UHFFFAOYSA-N 0 3 260.312 2.909 10 0 CFAEHN CCCN[C@@H]1CCCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000061702900 520020315 /nfs/dbraw/zinc/02/03/15/520020315.db2.gz HLBLBPWXYDJUIJ-HUUCEWRRSA-N 0 3 281.421 2.771 10 0 CFAEHN CCNCc1nc2c([nH]1)C[C@H](c1ccccc1)CC2 ZINC000069236392 520023297 /nfs/dbraw/zinc/02/32/97/520023297.db2.gz XOMOAEOJDNACFO-CYBMUJFWSA-N 0 3 255.365 2.792 10 0 CFAEHN CCNCc1nc2c([nH]1)CC[C@@H](c1ccccc1)C2 ZINC000069236392 520023302 /nfs/dbraw/zinc/02/33/02/520023302.db2.gz XOMOAEOJDNACFO-CYBMUJFWSA-N 0 3 255.365 2.792 10 0 CFAEHN CCNCc1oc2ccccc2c1CN1CCO[C@@H](C)C1 ZINC000052382406 520029517 /nfs/dbraw/zinc/02/95/17/520029517.db2.gz WHJQBIRFYCSQKN-ZDUSSCGKSA-N 0 3 288.391 2.763 10 0 CFAEHN CCN[C@@H](C)c1cc(Cl)ccc1O[C@H]1CCOC1=O ZINC000050210238 520073751 /nfs/dbraw/zinc/07/37/51/520073751.db2.gz NJBVRKUFNQOGKW-ZANVPECISA-N 0 3 283.755 2.705 10 0 CFAEHN CCN[C@@H](C1=CCCC1)[C@@H]1COc2ccccc2O1 ZINC000050327823 520081621 /nfs/dbraw/zinc/08/16/21/520081621.db2.gz SQYQTIIIEXJWHY-HOTGVXAUSA-N 0 3 259.349 2.915 10 0 CFAEHN CCCN[C@H]1COc2cc(OCCOCC)ccc21 ZINC000062804980 520097253 /nfs/dbraw/zinc/09/72/53/520097253.db2.gz NBEQETXKFUZPJN-AWEZNQCLSA-N 0 3 265.353 2.535 10 0 CFAEHN CCCN[C@H]1COc2cc(OC3CCOCC3)ccc21 ZINC000069289603 520098299 /nfs/dbraw/zinc/09/82/99/520098299.db2.gz BMWMILMUVDZLJV-HNNXBMFYSA-N 0 3 277.364 2.678 10 0 CFAEHN CCN[C@@H](COC[C@H]1CCCO1)c1ccccc1OCC ZINC000044063848 520099093 /nfs/dbraw/zinc/09/90/93/520099093.db2.gz MYBNGUGSPQTWRX-ZBFHGGJFSA-N 0 3 293.407 2.932 10 0 CFAEHN CCN[C@@H](COCCOC(C)C)c1ccccc1OC ZINC000044065075 520099321 /nfs/dbraw/zinc/09/93/21/520099321.db2.gz HEFSAFWGXPNLCC-HNNXBMFYSA-N 0 3 281.396 2.787 10 0 CFAEHN CCN[C@@H](COCCOCC)c1cc(C)ccc1OC ZINC000044060261 520099722 /nfs/dbraw/zinc/09/97/22/520099722.db2.gz QGORWJDLASZECS-HNNXBMFYSA-N 0 3 281.396 2.707 10 0 CFAEHN CCN[C@@H](COCCCOC)c1ccc(OCC)cc1 ZINC000044108146 520099944 /nfs/dbraw/zinc/09/99/44/520099944.db2.gz KJDBMLWWACEVRN-INIZCTEOSA-N 0 3 281.396 2.789 10 0 CFAEHN CCN[C@@H](c1cccc(OC)c1)c1cncc(F)c1 ZINC000049576123 520113334 /nfs/dbraw/zinc/11/33/34/520113334.db2.gz FTTCXKRYUOWASQ-HNNXBMFYSA-N 0 3 260.312 2.928 10 0 CFAEHN CCN[C@@H]1c2ccccc2C[C@@H]1OCCOC(C)C ZINC000044065116 520126616 /nfs/dbraw/zinc/12/66/16/520126616.db2.gz ZAMYLLHPRQQBKW-JKSUJKDBSA-N 0 3 263.381 2.704 10 0 CFAEHN CC(C)n1nnnc1CN[C@H]1CCCCC12CCCC2 ZINC000365830100 520144757 /nfs/dbraw/zinc/14/47/57/520144757.db2.gz FPIQCBKVNIBYFY-ZDUSSCGKSA-N 0 3 277.416 2.847 10 0 CFAEHN CCCNc1ccccc1C(=O)N(CCC)CCN(C)C ZINC000050786146 520176135 /nfs/dbraw/zinc/17/61/35/520176135.db2.gz JMXKLQSZANNZJY-UHFFFAOYSA-N 0 3 291.439 2.922 10 0 CFAEHN CCCOC[C@H](NCC)c1cc(OC)ccc1OC ZINC000044102794 520257031 /nfs/dbraw/zinc/25/70/31/520257031.db2.gz FRUPIDXPDVXWAW-AWEZNQCLSA-N 0 3 267.369 2.781 10 0 CFAEHN CCCOC[C@H](NCC)c1ccc(OC)c(OC)c1 ZINC000044102000 520257719 /nfs/dbraw/zinc/25/77/19/520257719.db2.gz JLQBBTSCFUGTKV-ZDUSSCGKSA-N 0 3 267.369 2.781 10 0 CFAEHN CCCCC[C@H](C(=O)N1CCO[C@@H](CN(C)C)C1)C(C)C ZINC000155248588 520297383 /nfs/dbraw/zinc/29/73/83/520297383.db2.gz CPDMEYGASXLMRC-HOTGVXAUSA-N 0 3 298.471 2.628 10 0 CFAEHN CCCOc1cccc(NC(=O)C(C)(C)NCC)c1 ZINC000061291483 520457963 /nfs/dbraw/zinc/45/79/63/520457963.db2.gz DIAAZMPHFLPAOM-UHFFFAOYSA-N 0 3 264.369 2.802 10 0 CFAEHN CC1(C)Cc2cccc(Oc3ccnc(C(=N)N)c3)c2O1 ZINC000061814552 520585305 /nfs/dbraw/zinc/58/53/05/520585305.db2.gz YRAXCJXFZMRUQM-UHFFFAOYSA-N 0 3 283.331 2.871 10 0 CFAEHN CCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1CNC ZINC000049287295 520655145 /nfs/dbraw/zinc/65/51/45/520655145.db2.gz YGIGEUBHVKTFFD-LLVKDONJSA-N 0 3 298.814 2.743 10 0 CFAEHN CCC[C@@H](C)NC(=O)COc1ccc(C)cc1[C@@H](C)NC ZINC000049287470 520655773 /nfs/dbraw/zinc/65/57/73/520655773.db2.gz JWBSDGNFBGBWQT-ZIAGYGMSSA-N 0 3 292.423 2.959 10 0 CFAEHN CCCCOCCO[C@H]1COc2ccccc2[C@@H]1NC ZINC000044070901 520792324 /nfs/dbraw/zinc/79/23/24/520792324.db2.gz RTPUNFOPEOBLPO-HOTGVXAUSA-N 0 3 279.380 2.541 10 0 CFAEHN CCCCOC[C@H](NC)c1ccc(OC)c(OC)c1 ZINC000044104703 520804202 /nfs/dbraw/zinc/80/42/02/520804202.db2.gz IYWIYGCWYXAEHI-ZDUSSCGKSA-N 0 3 267.369 2.781 10 0 CFAEHN CCC[C@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccccc1 ZINC000195309297 520975623 /nfs/dbraw/zinc/97/56/23/520975623.db2.gz FSYGSXHIOQIBEP-SJORKVTESA-N 0 3 286.419 2.877 10 0 CFAEHN CCC[C@H](N)C(=O)N[C@@H](CCC)c1cccs1 ZINC000049547113 521115215 /nfs/dbraw/zinc/11/52/15/521115215.db2.gz BTHPAFCXAQGIBJ-QWRGUYRKSA-N 0 3 254.399 2.833 10 0 CFAEHN CCC[C@H](NC)[C@H](CC)S(=O)(=O)c1ccccc1 ZINC000061702802 521153786 /nfs/dbraw/zinc/15/37/86/521153786.db2.gz CFUBNRBIWRUZHM-KBPBESRZSA-N 0 3 269.410 2.627 10 0 CFAEHN CCCC[C@H](N)C(=O)N[C@H](CC)c1cccs1 ZINC000049532212 521214189 /nfs/dbraw/zinc/21/41/89/521214189.db2.gz ZTJLRGDUTCFYID-WDEREUQCSA-N 0 3 254.399 2.833 10 0 CFAEHN CCC(C)(C)N(C)[C@H](C)C(=O)Nc1ccc(N)cc1OC ZINC000069427874 521308372 /nfs/dbraw/zinc/30/83/72/521308372.db2.gz APXBXTVBIWJKNF-LLVKDONJSA-N 0 3 293.411 2.725 10 0 CFAEHN CCC(C)(C)N(C)[C@H](C)C(=O)Nc1ccccc1N ZINC000069428572 521309332 /nfs/dbraw/zinc/30/93/32/521309332.db2.gz XODRGLMVZRTKFA-LLVKDONJSA-N 0 3 263.385 2.716 10 0 CFAEHN CCC(C)(C)NC(=O)COc1ccccc1CNC(C)C ZINC000049281523 521319983 /nfs/dbraw/zinc/31/99/83/521319983.db2.gz XADCFMRUXADPOT-UHFFFAOYSA-N 0 3 292.423 2.868 10 0 CFAEHN CCCc1ccc([C@@H](COCCCOC)NC)cc1 ZINC000044108568 521415379 /nfs/dbraw/zinc/41/53/79/521415379.db2.gz MXXZWVSTVZNSPW-MRXNPFEDSA-N 0 3 265.397 2.953 10 0 CFAEHN CCOC(=O)c1cccnc1N[C@H](CC(C)C)CN(C)C ZINC000049558278 521561065 /nfs/dbraw/zinc/56/10/65/521561065.db2.gz JFMXSKRBAZGFFK-CYBMUJFWSA-N 0 3 293.411 2.647 10 0 CFAEHN CCOc1ccccc1[C@H](COC[C@@H]1CCCCO1)NC ZINC000044066200 521588666 /nfs/dbraw/zinc/58/86/66/521588666.db2.gz KVTGWSTVTYQACX-HOCLYGCPSA-N 0 3 293.407 2.932 10 0 CFAEHN CCN1CCC[C@@H](n2c(N)nc3cccc(Cl)c32)C1 ZINC000049220604 521627500 /nfs/dbraw/zinc/62/75/00/521627500.db2.gz ZXKMVRKPBGWAQR-SNVBAGLBSA-N 0 3 278.787 2.929 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@H](C)Cc1ccccc1 ZINC000245423574 521630325 /nfs/dbraw/zinc/63/03/25/521630325.db2.gz BNANHLGYJHRWFB-NVXWUHKLSA-N 0 3 288.435 2.808 10 0 CFAEHN CCCN1C(=O)C[C@@H](N[C@@H](c2cccs2)C(C)C)C1=O ZINC000049554879 521699894 /nfs/dbraw/zinc/69/98/94/521699894.db2.gz YRRSNGZJYOCMBW-BXUZGUMPSA-N 0 3 294.420 2.572 10 0 CFAEHN CCNC(=O)CCN[C@H](C)c1cccc(Br)c1 ZINC000051758691 521735934 /nfs/dbraw/zinc/73/59/34/521735934.db2.gz YWEWZSBLFSPBAD-SNVBAGLBSA-N 0 3 299.212 2.626 10 0 CFAEHN CN(C)C[C@@H](NC(=O)Cc1cccs1)c1ccccc1 ZINC000052554422 521826469 /nfs/dbraw/zinc/82/64/69/521826469.db2.gz MWUCDLGJXUFYSB-OAHLLOKOSA-N 0 3 288.416 2.710 10 0 CFAEHN CN(C)C[C@H](NC(=O)C1CCCC1)c1ccccc1 ZINC000052554727 521859772 /nfs/dbraw/zinc/85/97/72/521859772.db2.gz CGUNJISOLHFQEL-HNNXBMFYSA-N 0 3 260.381 2.596 10 0 CFAEHN CNCc1c(C)nn(Cc2cc(C)ccc2C)c1C ZINC000049257409 522100526 /nfs/dbraw/zinc/10/05/26/522100526.db2.gz LLVMIGRMNFPBIM-UHFFFAOYSA-N 0 3 257.381 2.884 10 0 CFAEHN CNCc1cc(CN(C)C2CCCCCC2)on1 ZINC000052482053 522104369 /nfs/dbraw/zinc/10/43/69/522104369.db2.gz DSLUNGFIVJTFCY-UHFFFAOYSA-N 0 3 251.374 2.549 10 0 CFAEHN CCc1csc([C@H]2CCCN(CCOC)C2)n1 ZINC000195377483 522116638 /nfs/dbraw/zinc/11/66/38/522116638.db2.gz VFSQGTSRHIJJTF-NSHDSACASA-N 0 3 254.399 2.531 10 0 CFAEHN CNCc1ccccc1OCCCOCC(F)(F)F ZINC000049312021 522135746 /nfs/dbraw/zinc/13/57/46/522135746.db2.gz OIOKODQUVPKYBP-UHFFFAOYSA-N 0 3 277.286 2.754 10 0 CFAEHN CC[C@@H](C)OC[C@@H](NC)c1ccc2c(c1)OCCCO2 ZINC000044107085 522252888 /nfs/dbraw/zinc/25/28/88/522252888.db2.gz HNBWLJSHHFXTSU-TZMCWYRMSA-N 0 3 279.380 2.924 10 0 CFAEHN CN[C@@H](C)C(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000052395855 522320544 /nfs/dbraw/zinc/32/05/44/522320544.db2.gz RDMDOERZFFZOTE-ZDUSSCGKSA-N 0 3 275.396 2.613 10 0 CFAEHN CN[C@@H](C)c1cc(C)ccc1OCC(=O)N[C@H](C)C(C)C ZINC000049307498 522328866 /nfs/dbraw/zinc/32/88/66/522328866.db2.gz LSFWUXYWFZLCOR-KGLIPLIRSA-N 0 3 292.423 2.815 10 0 CFAEHN CC[C@H]([NH3+])[C@@]([O-])(c1ccccc1Cl)C(F)(F)F ZINC000062784757 522341771 /nfs/dbraw/zinc/34/17/71/522341771.db2.gz HZPGGBMMCXWJJY-UWVGGRQHSA-N 0 3 267.678 2.827 10 0 CFAEHN CN[C@@H](COC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000044095777 522353792 /nfs/dbraw/zinc/35/37/92/522353792.db2.gz VXPAMYZMHLPTLY-LBPRGKRZSA-N 0 3 265.353 2.533 10 0 CFAEHN CN[C@@H](c1ccc(OC)c(F)c1)[C@@H]1CCCCO1 ZINC000050961816 522369740 /nfs/dbraw/zinc/36/97/40/522369740.db2.gz PMKJOJMETPOVTH-KBPBESRZSA-N 0 3 253.317 2.664 10 0 CFAEHN CN[C@@H](c1ccc(OC)c(OC)c1OC)[C@@H]1CCCCO1 ZINC000050962781 522369825 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ZINC000095558852 185008800 /nfs/dbraw/zinc/00/88/00/185008800.db2.gz WKKGTCHGVIVHIU-UHFFFAOYSA-N 0 3 290.407 2.941 10 0 CFAEHN COCc1nc(CC(C)C)sc1CNC(C)C ZINC000082446024 178023187 /nfs/dbraw/zinc/02/31/87/178023187.db2.gz JYZBXMZHVQSQPW-UHFFFAOYSA-N 0 3 256.415 2.986 10 0 CFAEHN CNCc1sc(-c2cccc(OC)c2)nc1COC ZINC000082446380 178023881 /nfs/dbraw/zinc/02/38/81/178023881.db2.gz ZDZSJCJQWUQCBV-UHFFFAOYSA-N 0 3 278.377 2.685 10 0 CFAEHN CNCc1sc(-c2ccc(OC)cc2)nc1COC ZINC000082446417 178024183 /nfs/dbraw/zinc/02/41/83/178024183.db2.gz TXDZNENQGBLOTH-UHFFFAOYSA-N 0 3 278.377 2.685 10 0 CFAEHN CC(C)(C)OC(=O)n1cc(C=O)c2cc(CN)ccc21 ZINC000095748704 185025370 /nfs/dbraw/zinc/02/53/70/185025370.db2.gz AXDNEVAJDXLDQF-UHFFFAOYSA-N 0 3 274.320 2.696 10 0 CFAEHN CCC(CC)(CNC(=O)[C@@]1(C)CCCCN1)SC ZINC000227695852 282113525 /nfs/dbraw/zinc/11/35/25/282113525.db2.gz UVPKPECMDAMSPG-CYBMUJFWSA-N 0 3 272.458 2.557 10 0 CFAEHN CCC(CC)(CNC(=O)[C@]1(C)CCCCN1)SC ZINC000227695858 282115758 /nfs/dbraw/zinc/11/57/58/282115758.db2.gz UVPKPECMDAMSPG-ZDUSSCGKSA-N 0 3 272.458 2.557 10 0 CFAEHN CCOc1ccc(C(=O)[C@@H]2CCCN2)cc1Br ZINC000083162921 178346174 /nfs/dbraw/zinc/34/61/74/178346174.db2.gz UKMUQHHYJMTGBJ-NSHDSACASA-N 0 3 298.180 2.783 10 0 CFAEHN C[C@@H](NC[C@H](C)CO)c1ccccc1Br ZINC000083219960 178357851 /nfs/dbraw/zinc/35/78/51/178357851.db2.gz BAIWGQSWNMVFGV-VHSXEESVSA-N 0 3 272.186 2.728 10 0 CFAEHN CN(C)C[C@H]1CSCC[C@]1(O)c1ccc(Cl)cc1 ZINC000005557613 282141577 /nfs/dbraw/zinc/14/15/77/282141577.db2.gz DNRQDBDRYNYKIL-JSGCOSHPSA-N 0 3 285.840 2.842 10 0 CFAEHN C[C@H](NC(=O)[C@H]1C[C@H](C)CCN1)c1cccc(Cl)c1 ZINC000126807071 187263758 /nfs/dbraw/zinc/26/37/58/187263758.db2.gz RGIKZCZJGFKFAY-UHIISALHSA-N 0 3 280.799 2.905 10 0 CFAEHN CC(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000295117839 199354148 /nfs/dbraw/zinc/35/41/48/199354148.db2.gz JHKNRVFLJQSKKI-ZFWWWQNUSA-N 0 3 276.380 2.642 10 0 CFAEHN CN(C)C(=O)[C@H]1CCCN1CCCC1CCCC1 ZINC000173181677 232272964 /nfs/dbraw/zinc/27/29/64/232272964.db2.gz LPUOKLWLHQCNCH-CQSZACIVSA-N 0 3 252.402 2.509 10 0 CFAEHN CCn1nccc1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000128275330 187361183 /nfs/dbraw/zinc/36/11/83/187361183.db2.gz BJLXNTIMUBIPSF-HNNXBMFYSA-N 0 3 299.422 2.540 10 0 CFAEHN CN(C)C[C@@H](NC(=O)NCC1(C)CCC1)c1ccccc1 ZINC000177370216 232357834 /nfs/dbraw/zinc/35/78/34/232357834.db2.gz GDSKYMJRWHAAPU-OAHLLOKOSA-N 0 3 289.423 2.779 10 0 CFAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC(C)(C)C[C@@H]2C)C1 ZINC000263533097 383677750 /nfs/dbraw/zinc/67/77/50/383677750.db2.gz XQPZQIUVFPGVPK-PPWQZUPISA-N 0 3 296.455 2.728 10 0 CFAEHN c1ccc(OCCNC[C@@H]2COC3(CCCCC3)O2)cc1 ZINC000013517542 346232231 /nfs/dbraw/zinc/23/22/31/346232231.db2.gz QOHCMEXFTPJIRF-MRXNPFEDSA-N 0 3 291.391 2.731 10 0 CFAEHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1ccc(F)c(F)c1 ZINC000127602289 187319101 /nfs/dbraw/zinc/31/91/01/187319101.db2.gz VBXNSWSPPTZYJF-CYBMUJFWSA-N 0 3 298.377 2.600 10 0 CFAEHN CC(C)Oc1ccccc1CN[C@@H]1CCC[C@@H](O)C1 ZINC000037321014 346329008 /nfs/dbraw/zinc/32/90/08/346329008.db2.gz FGYPDLDCTJQRAL-HUUCEWRRSA-N 0 3 263.381 2.867 10 0 CFAEHN CCC(CC)NC(=O)[C@H](C)NCCc1cccs1 ZINC000034938582 346319098 /nfs/dbraw/zinc/31/90/98/346319098.db2.gz ZOHVAWHLAOZYEE-NSHDSACASA-N 0 3 268.426 2.574 10 0 CFAEHN CC(C)C[C@H](N)C(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000037007700 346325497 /nfs/dbraw/zinc/32/54/97/346325497.db2.gz MQBZLGHMQZSCNC-ZANVPECISA-N 0 3 270.323 2.515 10 0 CFAEHN COc1ccc(CSc2nnc([C@@H]3CCCN3)o2)cc1 ZINC000040173804 346345464 /nfs/dbraw/zinc/34/54/64/346345464.db2.gz BEOKCHYDYGRDOL-LBPRGKRZSA-N 0 3 291.376 2.795 10 0 CFAEHN CN(c1ncccc1N)C1CCN(Cc2ccccc2)CC1 ZINC000039156115 346341346 /nfs/dbraw/zinc/34/13/46/346341346.db2.gz OQTLSJXBALHXKK-UHFFFAOYSA-N 0 3 296.418 2.765 10 0 CFAEHN C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000049014208 346478439 /nfs/dbraw/zinc/47/84/39/346478439.db2.gz HSKJCCHSIACGPP-VNQPRFMTSA-N 0 3 274.408 2.594 10 0 CFAEHN Fc1cc(CNCC[C@@H]2CCCO2)cc(F)c1F ZINC000062708253 346690929 /nfs/dbraw/zinc/69/09/29/346690929.db2.gz WXSSLCRMFPSVGV-JTQLQIEISA-N 0 3 259.271 2.763 10 0 CFAEHN COc1ccccc1/C=C/CN1CC[C@H](c2cnn(C)c2)C1 ZINC000128461760 187371814 /nfs/dbraw/zinc/37/18/14/187371814.db2.gz ZHIBRCFFCRSNQX-YERXGYGTSA-N 0 3 297.402 2.931 10 0 CFAEHN Cc1cn2c(CNC[C@@H]3CCCC[C@@H]3O)c(C)nc2s1 ZINC000077204674 347173745 /nfs/dbraw/zinc/17/37/45/347173745.db2.gz QNHCERMSDCUOOL-JSGCOSHPSA-N 0 3 293.436 2.653 10 0 CFAEHN O[C@@H]1CCCC[C@@H]1CNCc1cc(F)ccc1F ZINC000085977648 179208380 /nfs/dbraw/zinc/20/83/80/179208380.db2.gz QOYZPKQFMYIGSA-QMTHXVAHSA-N 0 3 255.308 2.606 10 0 CFAEHN CC1(C)Cc2cccc(CN[C@@H]3CCC[C@@H](O)C3)c2O1 ZINC000080508883 347363386 /nfs/dbraw/zinc/36/33/86/347363386.db2.gz DNCRCOGHDKIYMN-HUUCEWRRSA-N 0 3 275.392 2.793 10 0 CFAEHN Cc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000128490732 187374743 /nfs/dbraw/zinc/37/47/43/187374743.db2.gz MKOWOBOYHRWMDB-CYBMUJFWSA-N 0 3 276.409 2.560 10 0 CFAEHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccco1)C(C)(C)C ZINC000088562802 347505740 /nfs/dbraw/zinc/50/57/40/347505740.db2.gz NVUNYWRZWOLMAV-CYBMUJFWSA-N 0 3 295.427 2.787 10 0 CFAEHN Cc1cccc2c(N3CC[C@@H](C)[C@H](O)C3)ccnc12 ZINC000092977668 347656217 /nfs/dbraw/zinc/65/62/17/347656217.db2.gz HBWAKAHNQZRVKM-IAQYHMDHSA-N 0 3 256.349 2.750 10 0 CFAEHN CN(c1ccc([C@H]2CNCCO2)cc1)c1ccccn1 ZINC000113966134 347770202 /nfs/dbraw/zinc/77/02/02/347770202.db2.gz GAEGVQQSGCKALZ-OAHLLOKOSA-N 0 3 269.348 2.510 10 0 CFAEHN CCC1CCC(NC(=O)N(C)C[C@H]2CCCN(C)C2)CC1 ZINC000115805012 347781889 /nfs/dbraw/zinc/78/18/89/347781889.db2.gz BYSBVIRMXBPZND-PCKAHOCUSA-N 0 3 295.471 2.938 10 0 CFAEHN COc1ccc(CN2CC[C@H](c3ccc(N)cn3)C2)cc1 ZINC000117724039 347794463 /nfs/dbraw/zinc/79/44/63/347794463.db2.gz IYSMULKKAYJKRO-AWEZNQCLSA-N 0 3 283.375 2.662 10 0 CFAEHN CCc1nc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)n[nH]1 ZINC000124682604 347825688 /nfs/dbraw/zinc/82/56/88/347825688.db2.gz SKLSKQOFHIKJOO-DTWKUNHWSA-N 0 3 276.306 2.578 10 0 CFAEHN NCc1cnc(-c2ccnc(C(F)(F)F)c2)c(F)c1 ZINC000117502784 347792593 /nfs/dbraw/zinc/79/25/93/347792593.db2.gz ZYNJLUGSAQIDDH-UHFFFAOYSA-N 0 3 271.217 2.760 10 0 CFAEHN COC(=O)N1CCNCCC[C@@H]1c1ccc(Cl)cc1 ZINC000117527367 347792651 /nfs/dbraw/zinc/79/26/51/347792651.db2.gz LDKFMDOWRYOCLK-CYBMUJFWSA-N 0 3 282.771 2.833 10 0 CFAEHN CN[C@](C)(CO)c1ccc(Br)cc1Cl ZINC000135058242 347903417 /nfs/dbraw/zinc/90/34/17/347903417.db2.gz SQTXBJNDHZBKBF-SNVBAGLBSA-N 0 3 278.577 2.529 10 0 CFAEHN CCN1CCO[C@@H](CNCc2ccc(C(C)(C)C)cc2)C1 ZINC000134438754 347898168 /nfs/dbraw/zinc/89/81/68/347898168.db2.gz LZSAXBIJJJMADK-KRWDZBQOSA-N 0 3 290.451 2.794 10 0 CFAEHN C[C@@H]1OCC[C@]1(C)NCc1ccc2ccccc2n1 ZINC000230152283 539590584 /nfs/dbraw/zinc/59/05/84/539590584.db2.gz DKMDPCCMJDRGFA-LRDDRELGSA-N 0 3 256.349 2.892 10 0 CFAEHN CC[C@@H]1Oc2cc(Br)c(F)cc2[C@H]1N ZINC000137660174 347914081 /nfs/dbraw/zinc/91/40/81/347914081.db2.gz TUNSYCLDTBURPI-WCBMZHEXSA-N 0 3 260.106 2.759 10 0 CFAEHN CC[C@](C)(N)C(=O)Nc1ccccc1Br ZINC000086801175 179335705 /nfs/dbraw/zinc/33/57/05/179335705.db2.gz FGACAOKOWCODGH-NSHDSACASA-N 0 3 271.158 2.515 10 0 CFAEHN CC[C@](C)(N)C(=O)Nc1ccc(C)cc1Br ZINC000086800954 179335915 /nfs/dbraw/zinc/33/59/15/179335915.db2.gz ZGNLUGIAHSSXJI-LBPRGKRZSA-N 0 3 285.185 2.823 10 0 CFAEHN CC[C@](C)(N)C(=O)Nc1cccc(Br)c1 ZINC000086801183 179336063 /nfs/dbraw/zinc/33/60/63/179336063.db2.gz ZAQOWMKQRDBXFN-NSHDSACASA-N 0 3 271.158 2.515 10 0 CFAEHN c1ccc(COc2ccc(CNC3CC3)nc2)cc1 ZINC000086791541 179336514 /nfs/dbraw/zinc/33/65/14/179336514.db2.gz RVIBPPSBYAVVBI-UHFFFAOYSA-N 0 3 254.333 2.913 10 0 CFAEHN C[C@H]1CN[C@]2(CCCN(Cc3ccccc3)C2)S1 ZINC000159133603 348010382 /nfs/dbraw/zinc/01/03/82/348010382.db2.gz WNSSGDFKSWXRIR-DZGCQCFKSA-N 0 3 262.422 2.704 10 0 CFAEHN C[C@H]1CN[C@@]2(CCCN(Cc3ccccc3)C2)SC1 ZINC000159162088 348011750 /nfs/dbraw/zinc/01/17/50/348011750.db2.gz UPVIGJYMNGLATG-HOCLYGCPSA-N 0 3 276.449 2.951 10 0 CFAEHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1cccc(Cl)c1 ZINC000306096304 651088202 /nfs/dbraw/zinc/08/82/02/651088202.db2.gz MPDQHTYIPQGZCT-NOZJJQNGSA-N 0 3 266.772 2.645 10 0 CFAEHN C[C@H](CC(=O)N1CC[C@H](N(C)C)C1)C1CCCCC1 ZINC000170863791 348065255 /nfs/dbraw/zinc/06/52/55/348065255.db2.gz FNSXMEFOUKKTKR-HIFRSBDPSA-N 0 3 266.429 2.755 10 0 CFAEHN CN(C)[C@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC000170861917 348065289 /nfs/dbraw/zinc/06/52/89/348065289.db2.gz OPKLUWQNOBTMKS-HNNXBMFYSA-N 0 3 266.429 2.900 10 0 CFAEHN CCOC(=O)[C@@]1(Nc2ccccc2)CCCN(C)CC1 ZINC000086819810 179348527 /nfs/dbraw/zinc/34/85/27/179348527.db2.gz SPZNNUGRBFBHPY-MRXNPFEDSA-N 0 3 276.380 2.516 10 0 CFAEHN COC(=O)C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000165741137 348040855 /nfs/dbraw/zinc/04/08/55/348040855.db2.gz BZZQILCSEHKVBQ-GOOCMWNKSA-N 0 3 259.349 2.603 10 0 CFAEHN CN[C@H](C)c1csc(I)c1 ZINC000169070925 348049876 /nfs/dbraw/zinc/04/98/76/348049876.db2.gz MRQQKFDEPMEQPH-RXMQYKEDSA-N 0 3 267.135 2.633 10 0 CFAEHN CCCN1CCC[C@H]([NH+]2CCC(CC)(C(=O)[O-])CC2)CC1 ZINC000086869176 179361929 /nfs/dbraw/zinc/36/19/29/179361929.db2.gz YRBDCYIABGJKHC-HNNXBMFYSA-N 0 3 296.455 2.828 10 0 CFAEHN CCC1(C(=O)[O-])CC[NH+]([C@@H]2CCCN(C(C)C)CC2)CC1 ZINC000086869180 179362496 /nfs/dbraw/zinc/36/24/96/179362496.db2.gz RGWXMAOFXSJUPH-OAHLLOKOSA-N 0 3 296.455 2.826 10 0 CFAEHN COc1ccccc1C[C@H]1CN(Cc2ccccc2)CCN1 ZINC000201936044 348153904 /nfs/dbraw/zinc/15/39/04/348153904.db2.gz ROALNXIFNJEXIZ-SFHVURJKSA-N 0 3 296.414 2.712 10 0 CFAEHN CCOC(=O)C[C@](C)(N)c1ccc(Br)cc1 ZINC000086851967 179359260 /nfs/dbraw/zinc/35/92/60/179359260.db2.gz OSEPIIKWTHCIQN-LBPRGKRZSA-N 0 3 286.169 2.576 10 0 CFAEHN N[C@H](CCO)c1cc(Br)c(Cl)s1 ZINC000227952569 348192568 /nfs/dbraw/zinc/19/25/68/348192568.db2.gz VYQSJHNLOAXCGW-RXMQYKEDSA-N 0 3 270.579 2.546 10 0 CFAEHN CN[C@@H](C)c1ccc(F)cc1I ZINC000229297319 348199778 /nfs/dbraw/zinc/19/97/78/348199778.db2.gz WYLQGFKDEYUGNJ-LURJTMIESA-N 0 3 279.096 2.711 10 0 CFAEHN CC[C@@H](N)c1sccc1I ZINC000238287788 348244743 /nfs/dbraw/zinc/24/47/43/348244743.db2.gz 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COc1cccc([C@H](C)NC[C@H](O)COC(C)(C)C)c1 ZINC000148337197 378255822 /nfs/dbraw/zinc/25/58/22/378255822.db2.gz HGAXNQJDKQNIHG-JSGCOSHPSA-N 0 3 281.396 2.522 10 0 CFAEHN C[C@H]1C[C@@H]1NCc1cn2ccc(Br)cc2n1 ZINC000289477083 197365976 /nfs/dbraw/zinc/36/59/76/197365976.db2.gz JOJRCQBYCFRDEJ-KWQFWETISA-N 0 3 280.169 2.595 10 0 CFAEHN CCO[C@H]1C[C@H](N(C)C(=O)CN(C)C(C)C)C12CCCC2 ZINC000156189611 378636737 /nfs/dbraw/zinc/63/67/37/378636737.db2.gz ZFEYGPWTOVOVLU-GJZGRUSLSA-N 0 3 296.455 2.523 10 0 CFAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC000159073614 378683132 /nfs/dbraw/zinc/68/31/32/378683132.db2.gz NIURFPMQUYMELS-MFKMUULPSA-N 0 3 298.789 2.938 10 0 CFAEHN CC[C@](C)(O)CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000162490492 378915993 /nfs/dbraw/zinc/91/59/93/378915993.db2.gz LXXJBOCAOVTZOI-ZDUSSCGKSA-N 0 3 261.287 2.697 10 0 CFAEHN CCC[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1ccccc1 ZINC000170826214 379171775 /nfs/dbraw/zinc/17/17/75/379171775.db2.gz UYPNAOQJWGNVDQ-HZPDHXFCSA-N 0 3 289.423 2.873 10 0 CFAEHN C[C@H](NCC(=O)N1CCC(C)CC1)c1cccs1 ZINC000171111187 379232669 /nfs/dbraw/zinc/23/26/69/379232669.db2.gz KQTGUMSTYZETDA-LBPRGKRZSA-N 0 3 266.410 2.657 10 0 CFAEHN CC(C)Oc1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000171077830 379225043 /nfs/dbraw/zinc/22/50/43/379225043.db2.gz YYXXBQIJJDDXGA-AWEZNQCLSA-N 0 3 291.395 2.642 10 0 CFAEHN C[C@@H](c1cccc(F)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000171603168 379352264 /nfs/dbraw/zinc/35/22/64/379352264.db2.gz ACDGQRLERYYZEP-KBPBESRZSA-N 0 3 288.370 2.890 10 0 CFAEHN CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1cccs1 ZINC000171827505 379413838 /nfs/dbraw/zinc/41/38/38/379413838.db2.gz ZTKUDGMGDRNZRW-QWHCGFSZSA-N 0 3 295.452 2.983 10 0 CFAEHN CN(C)C[C@H](NC(=O)N[C@@H]1CC=CCC1)c1ccccc1 ZINC000172439219 379566982 /nfs/dbraw/zinc/56/69/82/379566982.db2.gz RJZWZEJZEGZNSV-CVEARBPZSA-N 0 3 287.407 2.697 10 0 CFAEHN C[C@@H](C(=O)N[C@H](CN(C)C)c1ccccc1)c1cccnc1 ZINC000173723932 379769132 /nfs/dbraw/zinc/76/91/32/379769132.db2.gz FSILUBJSAUSNDP-RHSMWYFYSA-N 0 3 297.402 2.604 10 0 CFAEHN Cn1cc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000174379329 379874379 /nfs/dbraw/zinc/87/43/79/379874379.db2.gz HKPNNKMIVYDERM-IRXDYDNUSA-N 0 3 285.391 2.508 10 0 CFAEHN Cn1cc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 ZINC000174379312 379875450 /nfs/dbraw/zinc/87/54/50/379875450.db2.gz HKPNNKMIVYDERM-SJORKVTESA-N 0 3 285.391 2.508 10 0 CFAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1F ZINC000174987345 379974727 /nfs/dbraw/zinc/97/47/27/379974727.db2.gz XUXBYOFPUJNWKQ-CHWSQXEVSA-N 0 3 276.355 2.525 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccc(Cl)cn1 ZINC000175887610 380149142 /nfs/dbraw/zinc/14/91/42/380149142.db2.gz AKOLRRJZSAADJB-GFCCVEGCSA-N 0 3 296.802 2.683 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)N1CCc2ccccc21 ZINC000176255783 380204002 /nfs/dbraw/zinc/20/40/02/380204002.db2.gz HAVQJSWMFBEBNG-HNNXBMFYSA-N 0 3 287.407 2.585 10 0 CFAEHN C[C@H](NC(=O)N1CC[C@H](N(C)C)C1)[C@@H](C)c1ccccc1 ZINC000176464711 380240374 /nfs/dbraw/zinc/24/03/74/380240374.db2.gz BVGZLJKYBCMHLA-YCPHGPKFSA-N 0 3 289.423 2.524 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(SC)cc1 ZINC000176966869 380288939 /nfs/dbraw/zinc/28/89/39/380288939.db2.gz JPKQVEQZRZQCSP-CQSZACIVSA-N 0 3 292.448 2.965 10 0 CFAEHN FC1(F)CCC[C@H]1CN1CCN2CCCC[C@@H]2C1 ZINC000336232975 380293402 /nfs/dbraw/zinc/29/34/02/380293402.db2.gz MERKRLARAJWWDF-QWHCGFSZSA-N 0 3 258.356 2.592 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)Cn1ccc2ccccc21 ZINC000177026291 380297199 /nfs/dbraw/zinc/29/71/99/380297199.db2.gz ZLWZGEUQSRNOQW-MRXNPFEDSA-N 0 3 299.418 2.584 10 0 CFAEHN CCN1C[C@@H](C)[C@H](NCc2ccc(Cl)s2)C1 ZINC000336777463 380625974 /nfs/dbraw/zinc/62/59/74/380625974.db2.gz INOFSKKDKVOWQI-MWLCHTKSSA-N 0 3 258.818 2.831 10 0 CFAEHN CCN(Cc1ncccc1C(=O)OC)C1CCCC1 ZINC000336807426 380666239 /nfs/dbraw/zinc/66/62/39/380666239.db2.gz JUKIZIMGJCBOBS-UHFFFAOYSA-N 0 3 262.353 2.633 10 0 CFAEHN COc1c(CNCC(C)(C)C(C)(C)C)c(C)nn1C ZINC000336815638 380676596 /nfs/dbraw/zinc/67/65/96/380676596.db2.gz IKPMITVYFVEKIO-UHFFFAOYSA-N 0 3 267.417 2.899 10 0 CFAEHN CCc1ccc([C@@H](C)N[C@@H]2CCc3nc(CC)nn3C2)o1 ZINC000180624604 380682577 /nfs/dbraw/zinc/68/25/77/380682577.db2.gz LBLQIQLIZDNJGI-VXGBXAGGSA-N 0 3 288.395 2.662 10 0 CFAEHN CCc1nc2n(n1)C[C@@H](N[C@H](C)c1ccsc1)CC2 ZINC000180632503 380684743 /nfs/dbraw/zinc/68/47/43/380684743.db2.gz LIGLRDXLHNGLQE-PWSUYJOCSA-N 0 3 276.409 2.568 10 0 CFAEHN CCCc1csc(NC(=O)N[C@@H]2CCCN(CC)C2)n1 ZINC000180667915 380688297 /nfs/dbraw/zinc/68/82/97/380688297.db2.gz ZCICHISFEJNACJ-LLVKDONJSA-N 0 3 296.440 2.701 10 0 CFAEHN CCCc1cnc(NC(=O)N[C@H]2CCCN(CC)C2)s1 ZINC000180828217 380702595 /nfs/dbraw/zinc/70/25/95/380702595.db2.gz YILSPSIOQQJMDD-NSHDSACASA-N 0 3 296.440 2.701 10 0 CFAEHN CC(C)[C@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181294908 380770821 /nfs/dbraw/zinc/77/08/21/380770821.db2.gz MZJPOJAPOWEMKY-GJZGRUSLSA-N 0 3 291.439 2.851 10 0 CFAEHN Cc1ccc(CN2C[C@@H](C)C[C@H](O)C2)c(Cl)c1 ZINC000401585244 380871678 /nfs/dbraw/zinc/87/16/78/380871678.db2.gz MMTKOBWIZHZBGZ-AAEUAGOBSA-N 0 3 253.773 2.851 10 0 CFAEHN C[C@H]1C[C@H](O)CN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000401493776 380872121 /nfs/dbraw/zinc/87/21/21/380872121.db2.gz IMDMFYIKHNMARC-JQWIXIFHSA-N 0 3 289.297 2.788 10 0 CFAEHN CCc1cc(NC(=O)N2CCN3CCC[C@@H]3C2)ccc1C ZINC000182015484 380965117 /nfs/dbraw/zinc/96/51/17/380965117.db2.gz UCQIFDAZWMGKFV-MRXNPFEDSA-N 0 3 287.407 2.869 10 0 CFAEHN Cc1csc(CNC[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000341447647 381018615 /nfs/dbraw/zinc/01/86/15/381018615.db2.gz AOZSUPGVDGINDC-ZSBIGDGJSA-N 0 3 254.399 2.745 10 0 CFAEHN CCc1nc(CNCC2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000341460726 381026151 /nfs/dbraw/zinc/02/61/51/381026151.db2.gz MUCSDKHUBALSJX-GHMZBOCLSA-N 0 3 268.426 2.999 10 0 CFAEHN CC[C@H](C)[C@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000184155773 381378549 /nfs/dbraw/zinc/37/85/49/381378549.db2.gz JRJALWUOYMBCOX-IHRRRGAJSA-N 0 3 256.434 2.761 10 0 CFAEHN CC[C@@H]1Cc2ccccc2CN1C[C@H](O)COC(C)(C)C ZINC000185787438 381734208 /nfs/dbraw/zinc/73/42/08/381734208.db2.gz GMRNLMASKCLBKH-SJORKVTESA-N 0 3 291.435 2.999 10 0 CFAEHN CC(C)C1(NCC(=O)Nc2cccc(F)c2)CC1 ZINC000293054537 381969274 /nfs/dbraw/zinc/96/92/74/381969274.db2.gz RVWLCYHEMQKIAQ-UHFFFAOYSA-N 0 3 250.317 2.542 10 0 CFAEHN c1ccc(CN2CCCC[C@H]2CNc2cnccn2)cc1 ZINC000301077054 382075376 /nfs/dbraw/zinc/07/53/76/382075376.db2.gz HATQORGYCOUBRA-INIZCTEOSA-N 0 3 282.391 2.943 10 0 CFAEHN Cc1cccc2c(N3CCO[C@@H]([C@@H]4CCCO4)C3)ccnc12 ZINC000301687615 382186709 /nfs/dbraw/zinc/18/67/09/382186709.db2.gz VEEJDKLKCAYGTN-DLBZAZTESA-N 0 3 298.386 2.927 10 0 CFAEHN Cc1cccc2c(N3CCO[C@@H]([C@H]4CCCO4)C3)ccnc12 ZINC000301687616 382187653 /nfs/dbraw/zinc/18/76/53/382187653.db2.gz VEEJDKLKCAYGTN-IAGOWNOFSA-N 0 3 298.386 2.927 10 0 CFAEHN Cc1cc(NCCN2CCc3ccccc3C2)nnc1C ZINC000302358671 382242062 /nfs/dbraw/zinc/24/20/62/382242062.db2.gz ZMUREMJEOPIKRA-UHFFFAOYSA-N 0 3 282.391 2.564 10 0 CFAEHN CCC[C@H](C)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187679967 382243994 /nfs/dbraw/zinc/24/39/94/382243994.db2.gz XAJQQCYJLMNVEV-RDJZCZTQSA-N 0 3 276.424 2.526 10 0 CFAEHN CC(C)=CCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188119426 382348403 /nfs/dbraw/zinc/34/84/03/382348403.db2.gz JFFVWBHYLBUKCU-KBPBESRZSA-N 0 3 251.395 2.722 10 0 CFAEHN CC(C)(C)CC[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000188550816 382433419 /nfs/dbraw/zinc/43/34/19/382433419.db2.gz LSMJIDWKPDLAMI-UHFFFAOYSA-N 0 3 288.395 2.910 10 0 CFAEHN CC[C@H]1CN(Cc2cc(C)sc2C)CCN1C[C@@H](C)O ZINC000170937699 322396505 /nfs/dbraw/zinc/39/65/05/322396505.db2.gz GFTJLQAZGDAPJE-WBMJQRKESA-N 0 3 296.480 2.642 10 0 CFAEHN C[C@@H]1CCC[C@@H](Oc2nc3c(cc2CN)CCC3)C1 ZINC000043405933 184558376 /nfs/dbraw/zinc/55/83/76/184558376.db2.gz JXAMVQLVQOKQOM-BXUZGUMPSA-N 0 3 260.381 2.987 10 0 CFAEHN CCCSC[C@@H](N)c1ccc(OC)cc1OC ZINC000081834209 184597009 /nfs/dbraw/zinc/59/70/09/184597009.db2.gz UDZYKUYPRMCPRN-GFCCVEGCSA-N 0 3 255.383 2.847 10 0 CFAEHN CCN1CC[C@@H](Nc2ncnc3c(C)csc32)C1 ZINC000389167582 382611437 /nfs/dbraw/zinc/61/14/37/382611437.db2.gz MWNOHYPIWNSSOP-SNVBAGLBSA-N 0 3 262.382 2.506 10 0 CFAEHN COc1c(CNCC(C)(C)C(C)C)c(C)nn1C ZINC000189471770 382613583 /nfs/dbraw/zinc/61/35/83/382613583.db2.gz WQYJMMZYMFURQB-UHFFFAOYSA-N 0 3 253.390 2.509 10 0 CFAEHN Cc1ccc([C@H](C)NC[C@H](O)CC(F)(F)F)o1 ZINC000189937405 382646145 /nfs/dbraw/zinc/64/61/45/382646145.db2.gz HQYJWIUBSGIOQE-DTWKUNHWSA-N 0 3 251.248 2.552 10 0 CFAEHN CCC[C@H](C(=O)NCc1c(Cl)cccc1OC)N(C)C ZINC000191873441 382702908 /nfs/dbraw/zinc/70/29/08/382702908.db2.gz BPAOMHJBTHOVDS-CYBMUJFWSA-N 0 3 298.814 2.695 10 0 CFAEHN CC[C@H](C(=O)OC(C)(C)C)N(C)C[C@@H]1CCCN1CC ZINC000192053154 382704362 /nfs/dbraw/zinc/70/43/62/382704362.db2.gz JUHCJOAVCPJOGE-UONOGXRCSA-N 0 3 284.444 2.523 10 0 CFAEHN CCCNc1ccc(CNC(=O)[C@@H](CCC)N(C)C)cc1 ZINC000193026490 382714705 /nfs/dbraw/zinc/71/47/05/382714705.db2.gz LGTNOIXVZSOXPH-MRXNPFEDSA-N 0 3 291.439 2.855 10 0 CFAEHN CCCCOC[C@H](O)CN[C@H](C)c1cccs1 ZINC000193241342 382717285 /nfs/dbraw/zinc/71/72/85/382717285.db2.gz HAXSSYGNAVNKLP-VXGBXAGGSA-N 0 3 257.399 2.576 10 0 CFAEHN CCCCOC[C@@H](O)CN(CC)Cc1ccccc1 ZINC000193245840 382717337 /nfs/dbraw/zinc/71/73/37/382717337.db2.gz IWACKACJSQOYMG-INIZCTEOSA-N 0 3 265.397 2.686 10 0 CFAEHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1O ZINC000193858772 382727282 /nfs/dbraw/zinc/72/72/82/382727282.db2.gz LZZCBUYZFMMNHE-INIZCTEOSA-N 0 3 298.386 2.733 10 0 CFAEHN C[C@@H](CCN1CCO[C@H](Cn2cccn2)C1)c1ccccc1 ZINC000193913378 382729362 /nfs/dbraw/zinc/72/93/62/382729362.db2.gz IRZZYRWMDIHWCN-WMZOPIPTSA-N 0 3 299.418 2.778 10 0 CFAEHN CCCCOC[C@@H](O)CN[C@@H](c1ncccc1C)C(C)C ZINC000195188708 382763477 /nfs/dbraw/zinc/76/34/77/382763477.db2.gz VMLCKYTUAHIYMS-JKSUJKDBSA-N 0 3 294.439 2.854 10 0 CFAEHN CCCCOC[C@@H](O)CN1CCCC[C@@H]1c1cccn1C ZINC000195180663 382763750 /nfs/dbraw/zinc/76/37/50/382763750.db2.gz MZRYXNDOODBEIY-DOTOQJQBSA-N 0 3 294.439 2.730 10 0 CFAEHN COc1cc([C@H]([NH3+])CCF)cc(Br)c1[O-] ZINC000575439759 382771389 /nfs/dbraw/zinc/77/13/89/382771389.db2.gz VWSLXUYONCOQCO-MRVPVSSYSA-N 0 3 278.121 2.523 10 0 CFAEHN COc1cc([C@@H](N)CCF)c(OC)cc1Br ZINC000575439339 382771504 /nfs/dbraw/zinc/77/15/04/382771504.db2.gz RYNQEJYFZNLYBZ-VIFPVBQESA-N 0 3 292.148 2.826 10 0 CFAEHN N[C@H](CCF)c1c(F)cccc1Br ZINC000575440009 382771826 /nfs/dbraw/zinc/77/18/26/382771826.db2.gz RCPLXKCHUFETLL-MRVPVSSYSA-N 0 3 250.086 2.948 10 0 CFAEHN OC[C@H]1CCCC[C@H]1NCc1cc(F)c(F)c(F)c1 ZINC000218994373 382791608 /nfs/dbraw/zinc/79/16/08/382791608.db2.gz OCJAMKYRHWIXDT-ZWNOBZJWSA-N 0 3 273.298 2.745 10 0 CFAEHN NCc1cccc(Br)c1Br ZINC000222149630 382801251 /nfs/dbraw/zinc/80/12/51/382801251.db2.gz ZBFZLTKFIKFLMO-UHFFFAOYSA-N 0 3 264.948 2.670 10 0 CFAEHN Cc1ccc(F)c(CNC[C@H]2CCCC[C@H]2O)c1 ZINC000226166085 382824829 /nfs/dbraw/zinc/82/48/29/382824829.db2.gz NTZDVOGKNWKNGP-IUODEOHRSA-N 0 3 251.345 2.775 10 0 CFAEHN CCCCOC[C@H](O)CN1CCc2sccc2[C@@H]1C ZINC000227906446 382842707 /nfs/dbraw/zinc/84/27/07/382842707.db2.gz RXZQFUJSJZSYEL-QWHCGFSZSA-N 0 3 283.437 2.845 10 0 CFAEHN CCC[C@H](N)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000236918525 382931212 /nfs/dbraw/zinc/93/12/12/382931212.db2.gz NGGTUPMRZIAAKI-OCCSQVGLSA-N 0 3 254.418 2.979 10 0 CFAEHN c1sc(C2CC2)nc1CN1CCN2CCCC[C@H]2C1 ZINC000245587609 383011851 /nfs/dbraw/zinc/01/18/51/383011851.db2.gz FHRZIVSNTCFYNN-AWEZNQCLSA-N 0 3 277.437 2.691 10 0 CFAEHN c1cnn(CCCCCN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245923842 383048644 /nfs/dbraw/zinc/04/86/44/383048644.db2.gz VFTPSIKMJHLURX-CVEARBPZSA-N 0 3 277.412 2.697 10 0 CFAEHN CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246023663 383059607 /nfs/dbraw/zinc/05/96/07/383059607.db2.gz PMJKGSNRNUQSOS-KFWWJZLASA-N 0 3 281.444 2.691 10 0 CFAEHN CCC[C@H](C(=O)NC[C@H]1CCCC[C@H]1C)N(C)C ZINC000245655974 383019871 /nfs/dbraw/zinc/01/98/71/383019871.db2.gz FZTQEJMFOLWACM-MGPQQGTHSA-N 0 3 254.418 2.659 10 0 CFAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)[C@H](C)c2ccco2)C1 ZINC000247012790 383131811 /nfs/dbraw/zinc/13/18/11/383131811.db2.gz HEPQXNJBJXYNEU-MGPQQGTHSA-N 0 3 293.411 2.711 10 0 CFAEHN CCOc1cccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000247056708 383136818 /nfs/dbraw/zinc/13/68/18/383136818.db2.gz ILSCGPCJPGIUSY-CJNGLKHVSA-N 0 3 290.407 2.544 10 0 CFAEHN CCCCCC[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000246668018 383091898 /nfs/dbraw/zinc/09/18/98/383091898.db2.gz HSBXLFQWAPFHSI-GJZGRUSLSA-N 0 3 266.429 2.900 10 0 CFAEHN C[C@@H](c1cccc(O)c1)N(C)C[C@@H](O)COC(C)(C)C ZINC000246811104 383107748 /nfs/dbraw/zinc/10/77/48/383107748.db2.gz NIJLBRSRWXZADC-SWLSCSKDSA-N 0 3 281.396 2.561 10 0 CFAEHN CC(C)(C)OC[C@@H](O)CN1CCC[C@H]1c1ccco1 ZINC000246824864 383109241 /nfs/dbraw/zinc/10/92/41/383109241.db2.gz CEFKQCQQKQFKJJ-STQMWFEESA-N 0 3 267.369 2.593 10 0 CFAEHN COCCN1CCN([C@H](C)c2ccccc2C)C[C@@H]1C ZINC000247122198 383145389 /nfs/dbraw/zinc/14/53/89/383145389.db2.gz ALCSFIUNFPAOTF-JKSUJKDBSA-N 0 3 276.424 2.709 10 0 CFAEHN C[C@H](c1ccccc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247441301 383173033 /nfs/dbraw/zinc/17/30/33/383173033.db2.gz ZXJGSUHGLYKPFN-ZIAGYGMSSA-N 0 3 288.370 2.890 10 0 CFAEHN Cn1cc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 ZINC000247450578 383174023 /nfs/dbraw/zinc/17/40/23/383174023.db2.gz HKPNNKMIVYDERM-DLBZAZTESA-N 0 3 285.391 2.508 10 0 CFAEHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1cccs1 ZINC000247660103 383189354 /nfs/dbraw/zinc/18/93/54/383189354.db2.gz ZTKUDGMGDRNZRW-OLZOCXBDSA-N 0 3 295.452 2.983 10 0 CFAEHN CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)c1cccs1 ZINC000247660099 383189476 /nfs/dbraw/zinc/18/94/76/383189476.db2.gz ZTKUDGMGDRNZRW-CHWSQXEVSA-N 0 3 295.452 2.983 10 0 CFAEHN CC(C)n1ncnc1CNC1C2CC3CC(C2)CC1C3 ZINC000339392957 383193139 /nfs/dbraw/zinc/19/31/39/383193139.db2.gz NICZSODDNZZURE-UHFFFAOYSA-N 0 3 274.412 2.773 10 0 CFAEHN COCCCCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000247198506 383152260 /nfs/dbraw/zinc/15/22/60/383152260.db2.gz SZKSYXHXIPFKOE-ZNMIVQPWSA-N 0 3 283.412 2.609 10 0 CFAEHN CCc1csc([C@@H]2CCCN([C@H](C)COC)C2)n1 ZINC000247213954 383153043 /nfs/dbraw/zinc/15/30/43/383153043.db2.gz CMFZNYLDAFULGJ-VXGBXAGGSA-N 0 3 268.426 2.920 10 0 CFAEHN Cc1ccsc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000247339224 383164329 /nfs/dbraw/zinc/16/43/29/383164329.db2.gz NKQZAOGOTWKGMK-NEPJUHHUSA-N 0 3 266.410 2.515 10 0 CFAEHN Cc1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)cc1C ZINC000247349755 383165692 /nfs/dbraw/zinc/16/56/92/383165692.db2.gz NXVXGMVDDKWVLD-ZBFHGGJFSA-N 0 3 274.408 2.762 10 0 CFAEHN CC(C)c1cnc(CN2CCN3CCCC[C@H]3C2)s1 ZINC000248494109 383249689 /nfs/dbraw/zinc/24/96/89/383249689.db2.gz POXDVCMKBSYJJD-ZDUSSCGKSA-N 0 3 279.453 2.937 10 0 CFAEHN Cc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c(C)n1 ZINC000248546904 383257609 /nfs/dbraw/zinc/25/76/09/383257609.db2.gz FXTRIHBMMSTCNL-IRXDYDNUSA-N 0 3 274.408 2.825 10 0 CFAEHN C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000248325911 383223556 /nfs/dbraw/zinc/22/35/56/383223556.db2.gz BPHJIPWJKOSYSB-QPSCCSFWSA-N 0 3 274.408 2.983 10 0 CFAEHN Cc1cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)ccc1Cl ZINC000248408117 383237663 /nfs/dbraw/zinc/23/76/63/383237663.db2.gz DUJYVHGUXOPXQJ-KGLIPLIRSA-N 0 3 296.842 2.535 10 0 CFAEHN CC[C@@](C)(O)CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249323726 383339945 /nfs/dbraw/zinc/33/99/45/383339945.db2.gz GMZVUTKWVBZSGC-IAQYHMDHSA-N 0 3 269.335 2.915 10 0 CFAEHN CC[C@](C)(O)CN1CCC[C@H]1c1ccc(COC)o1 ZINC000249384001 383342440 /nfs/dbraw/zinc/34/24/40/383342440.db2.gz POMUNZRFWDIFHR-ZFWWWQNUSA-N 0 3 267.369 2.724 10 0 CFAEHN CCc1ccc(NC(=O)[C@H](C)N[C@H](C)[C@H]2CCCO2)cc1 ZINC000248853540 383298894 /nfs/dbraw/zinc/29/88/94/383298894.db2.gz JWXBUNLEVQHLNJ-DVOMOZLQSA-N 0 3 290.407 2.733 10 0 CFAEHN O[C@]12CCCC[C@H]1CN(CCc1ccccc1F)CC2 ZINC000249058575 383323012 /nfs/dbraw/zinc/32/30/12/383323012.db2.gz YBMFLZNOQBFGNR-RDJZCZTQSA-N 0 3 277.383 2.995 10 0 CFAEHN CC(C)n1cncc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000251468979 383388614 /nfs/dbraw/zinc/38/86/14/383388614.db2.gz DKOVIOZWGUXQPM-HOCLYGCPSA-N 0 3 277.412 2.591 10 0 CFAEHN C[C@@H](N[C@@H]1C[C@H](C)CC[C@@H]1C)c1nnc2n1CCC2 ZINC000251793450 383396361 /nfs/dbraw/zinc/39/63/61/383396361.db2.gz FZUQPSGTONFJDX-YVECIDJPSA-N 0 3 262.401 2.700 10 0 CFAEHN C[C@@H]1CN2CCCC[C@H]2CN1CCC(=O)c1ccccc1 ZINC000251833268 383397639 /nfs/dbraw/zinc/39/76/39/383397639.db2.gz PSKDLSAFCAHAAJ-WBVHZDCISA-N 0 3 286.419 2.818 10 0 CFAEHN CC1(C)CC[C@H](CN2C[C@@H](c3ccsc3)[C@H](CO)C2)O1 ZINC000249600322 383352573 /nfs/dbraw/zinc/35/25/73/383352573.db2.gz YAHTVCOVTYVNST-ZNMIVQPWSA-N 0 3 295.448 2.713 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)N[C@H](C)c2ccccc2C)C1 ZINC000249773341 383361704 /nfs/dbraw/zinc/36/17/04/383361704.db2.gz UWOIPVSYVCTQEB-HUUCEWRRSA-N 0 3 289.423 2.840 10 0 CFAEHN CC(C)CCOCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252660641 383424401 /nfs/dbraw/zinc/42/44/01/383424401.db2.gz BKKMAWDKBRUNBZ-CVEARBPZSA-N 0 3 268.445 2.608 10 0 CFAEHN CCN1CCC[C@H](NC(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000255370523 383480862 /nfs/dbraw/zinc/48/08/62/383480862.db2.gz RQKLNAQZBVAMFH-IMMZDGJCSA-N 0 3 290.382 2.830 10 0 CFAEHN C[C@@H]1CN2CCCC[C@H]2CN1CC1CCSCC1 ZINC000252930579 383440517 /nfs/dbraw/zinc/44/05/17/383440517.db2.gz ARBSOUQODJBSJJ-HIFRSBDPSA-N 0 3 268.470 2.688 10 0 CFAEHN COCCN1CCN(C/C(C)=C\c2ccccc2)C[C@@H]1C ZINC000255360349 383479920 /nfs/dbraw/zinc/47/99/20/383479920.db2.gz JJKXVCUJIYLMLX-NOCRFKNCSA-N 0 3 288.435 2.742 10 0 CFAEHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(Cl)n1 ZINC000252520061 383417291 /nfs/dbraw/zinc/41/72/91/383417291.db2.gz DCBMZEVQVSAIEI-OCCSQVGLSA-N 0 3 279.815 2.794 10 0 CFAEHN N[C@H](c1ccc(Br)s1)C1(CO)CCC1 ZINC000259667412 383502318 /nfs/dbraw/zinc/50/23/18/383502318.db2.gz ZUQSTIMKZIOSRV-SECBINFHSA-N 0 3 276.199 2.673 10 0 CFAEHN CCC[C@@H]1C[C@@H]1NC(=O)[C@H](N)CC1CCCCC1 ZINC000261567934 383514674 /nfs/dbraw/zinc/51/46/74/383514674.db2.gz IWYUCXQCAKKDQW-MCIONIFRSA-N 0 3 252.402 2.589 10 0 CFAEHN Cc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262022499 383596162 /nfs/dbraw/zinc/59/61/62/383596162.db2.gz WSJRLCAHVONWDQ-XHSDSOJGSA-N 0 3 260.381 2.564 10 0 CFAEHN CCC[C@@H](N)C(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC000262157697 383609292 /nfs/dbraw/zinc/60/92/92/383609292.db2.gz TXSPVFUZVLTRHP-AEFFLSMTSA-N 0 3 288.435 2.985 10 0 CFAEHN C[C@@H](CCC1CCCCC1)NC(=O)[C@H](N)C1CCOCC1 ZINC000261853362 383570382 /nfs/dbraw/zinc/57/03/82/383570382.db2.gz RROWKAOPYNDSRS-XJKSGUPXSA-N 0 3 296.455 2.606 10 0 CFAEHN C[C@H](CC1CCCCC1)c1nc([C@@H]2CNCCN2C)no1 ZINC000263232502 383656822 /nfs/dbraw/zinc/65/68/22/383656822.db2.gz NOOPSZPYURWSPT-OCCSQVGLSA-N 0 3 292.427 2.720 10 0 CFAEHN CCC[C@@H](N)C(=O)Nc1ccc(F)cc1NC(C)C ZINC000262649694 383633304 /nfs/dbraw/zinc/63/33/04/383633304.db2.gz QHOHCNNOKUNDDF-LLVKDONJSA-N 0 3 267.348 2.712 10 0 CFAEHN CCN(CC(=O)[O-])C1CC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000263487435 383670547 /nfs/dbraw/zinc/67/05/47/383670547.db2.gz HQPQOIBCIDUSQN-QVOMUQBLSA-N 0 3 296.455 2.728 10 0 CFAEHN CC[N@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000263487435 383670552 /nfs/dbraw/zinc/67/05/52/383670552.db2.gz HQPQOIBCIDUSQN-QVOMUQBLSA-N 0 3 296.455 2.728 10 0 CFAEHN CC[N@@H+](CC(=O)[O-])C1CC(N[C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000263487435 383670555 /nfs/dbraw/zinc/67/05/55/383670555.db2.gz HQPQOIBCIDUSQN-QVOMUQBLSA-N 0 3 296.455 2.728 10 0 CFAEHN CC(C)CC[C@H](N)C(=O)N1CCC(c2nccs2)CC1 ZINC000638092752 384408340 /nfs/dbraw/zinc/40/83/40/384408340.db2.gz CSROJJJAKAEJRQ-ZDUSSCGKSA-N 0 3 295.452 2.613 10 0 CFAEHN CC(C)CC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000638377403 384603577 /nfs/dbraw/zinc/60/35/77/384603577.db2.gz SRJIZPYKHPMLIP-SDDRHHMPSA-N 0 3 294.361 2.987 10 0 CFAEHN CC[C@H](CC(=O)N(C)[C@@H](CN)C(F)(F)F)C(C)(C)C ZINC000638434750 384650777 /nfs/dbraw/zinc/65/07/77/384650777.db2.gz PSQWVLMDAOOECF-ZJUUUORDSA-N 0 3 282.350 2.797 10 0 CFAEHN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000644049330 384827708 /nfs/dbraw/zinc/82/77/08/384827708.db2.gz XIISFBOXHVFGKQ-DOMZBBRYSA-N 0 3 274.408 2.985 10 0 CFAEHN C[C@H]1NC(=O)CC[C@H]1NCc1ccc(Cl)cc1Cl ZINC000282266399 385264250 /nfs/dbraw/zinc/26/42/50/385264250.db2.gz HJQBPSVEBRHBKR-PRHODGIISA-N 0 3 287.190 2.750 10 0 CFAEHN C[C@@H]1NC(=O)CC[C@H]1NCc1c(Cl)oc2ccccc21 ZINC000282493945 385325557 /nfs/dbraw/zinc/32/55/57/385325557.db2.gz WFIVCLPLUSJEEE-JOYOIKCWSA-N 0 3 292.766 2.843 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)CC(C)C ZINC000185433074 285236359 /nfs/dbraw/zinc/23/63/59/285236359.db2.gz JSEGBXBUDNXMDH-UONOGXRCSA-N 0 3 254.418 2.611 10 0 CFAEHN CCC[C@@H](N)C(=O)NCC1(CC(C)C)CCCC1 ZINC000094876175 184885719 /nfs/dbraw/zinc/88/57/19/184885719.db2.gz NFSHMJIDNCDDPG-CYBMUJFWSA-N 0 3 254.418 2.837 10 0 CFAEHN Oc1ccc2c(c1)C1(CC1)CN([C@H]1CCCC[C@@H]1O)C2 ZINC000336028006 285386073 /nfs/dbraw/zinc/38/60/73/285386073.db2.gz NVLZTLMDAPVIRS-HOTGVXAUSA-N 0 3 273.376 2.543 10 0 CFAEHN CCN1CCO[C@@H](CN[C@@H](C)c2ccc(C)cc2C)C1 ZINC000163901659 542578731 /nfs/dbraw/zinc/57/87/31/542578731.db2.gz JKUFBMAYVWCUJF-HOTGVXAUSA-N 0 3 276.424 2.675 10 0 CFAEHN C/C(=C\Cl)CNCCN(C)Cc1ccccc1 ZINC000306887955 393510337 /nfs/dbraw/zinc/51/03/37/393510337.db2.gz VHJMABPTWRLIDI-JLHYYAGUSA-N 0 3 252.789 2.851 10 0 CFAEHN CC(C)OC[C@@H](O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000042587625 393553766 /nfs/dbraw/zinc/55/37/66/393553766.db2.gz NIUBIOKBDFNJJZ-UWVGGRQHSA-N 0 3 277.817 2.838 10 0 CFAEHN CCn1nc(C)c([C@H](C)NCCN2CCCCC2)c1C ZINC000045172593 393569207 /nfs/dbraw/zinc/56/92/07/393569207.db2.gz AXJQUDBCMSYCBQ-ZDUSSCGKSA-N 0 3 278.444 2.656 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)Nc2cccc(C)c2C)C1 ZINC000048769145 393599619 /nfs/dbraw/zinc/59/96/19/393599619.db2.gz RGINTIQRNHZNHQ-CQSZACIVSA-N 0 3 275.396 2.909 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)Nc2c(C)cccc2C)C1 ZINC000048770120 393600682 /nfs/dbraw/zinc/60/06/82/393600682.db2.gz KPRIRBWYBJLEKJ-CQSZACIVSA-N 0 3 275.396 2.909 10 0 CFAEHN CCc1ccccc1NC(=O)N[C@@H]1CCCN(CC)C1 ZINC000048770180 393600692 /nfs/dbraw/zinc/60/06/92/393600692.db2.gz FJSCDPYTISWUAM-CQSZACIVSA-N 0 3 275.396 2.855 10 0 CFAEHN O[C@@H]1CCC[C@H](CN2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000386156363 393585673 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/nfs/dbraw/zinc/21/63/27/175216327.db2.gz MQBHFNSGEXDZBD-CQSZACIVSA-N 0 3 289.404 2.500 10 0 CFAEHN Cc1nc(CN(C)c2ccc(F)cc2CN)cs1 ZINC000044609536 175216475 /nfs/dbraw/zinc/21/64/75/175216475.db2.gz FMSIDMLJWKXMMA-UHFFFAOYSA-N 0 3 265.357 2.686 10 0 CFAEHN CCCNCC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000044646781 175223327 /nfs/dbraw/zinc/22/33/27/175223327.db2.gz DKPNJVGIQXZGGJ-UHFFFAOYSA-N 0 3 276.258 2.523 10 0 CFAEHN CCCNCC(=O)Nc1cc(Cl)ccc1OCC ZINC000044649761 175224293 /nfs/dbraw/zinc/22/42/93/175224293.db2.gz GWSWCYQWRAOKIN-UHFFFAOYSA-N 0 3 270.760 2.677 10 0 CFAEHN COC(=O)c1ccc(CN[C@H]2C[C@H]2c2ccccc2)o1 ZINC000044675786 175227205 /nfs/dbraw/zinc/22/72/05/175227205.db2.gz SDBKIGGWEXGPLJ-KBPBESRZSA-N 0 3 271.316 2.712 10 0 CFAEHN Cc1nc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)c(=O)[n-]1 ZINC000044675849 175227216 /nfs/dbraw/zinc/22/72/16/175227216.db2.gz GIEYHSHODNYAHH-GLQYFDAESA-N 0 3 283.375 2.593 10 0 CFAEHN Nc1cc(Br)ccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044688977 175232671 /nfs/dbraw/zinc/23/26/71/175232671.db2.gz BAUZGNUKWVFUTN-SNVBAGLBSA-N 0 3 296.212 2.680 10 0 CFAEHN CCOC[C@@H](C)N[C@H](C)c1ccc(OC)cc1OC ZINC000044689530 175232974 /nfs/dbraw/zinc/23/29/74/175232974.db2.gz NPFCFDNFUHGRBO-VXGBXAGGSA-N 0 3 267.369 2.779 10 0 CFAEHN Nc1nc2cccc(Cl)c2n1[C@@H]1CCN(C2CC2)C1 ZINC000044726527 175238511 /nfs/dbraw/zinc/23/85/11/175238511.db2.gz RJQBDZDRMCUWDJ-SNVBAGLBSA-N 0 3 276.771 2.681 10 0 CFAEHN CCN(C(=O)[C@H](CN)Cc1ccccc1)c1ccccc1 ZINC000044793791 175254233 /nfs/dbraw/zinc/25/42/33/175254233.db2.gz XGZMZZQHLRAFOJ-INIZCTEOSA-N 0 3 282.387 2.857 10 0 CFAEHN CN(C(=O)[C@H](CN)Cc1ccccc1)C1CCCCC1 ZINC000044793756 175254338 /nfs/dbraw/zinc/25/43/38/175254338.db2.gz PLXCHRXMCQLPPB-HNNXBMFYSA-N 0 3 274.408 2.595 10 0 CFAEHN NC[C@H](Cc1ccccc1)C(=O)Nc1c(F)cccc1F ZINC000044799911 175255837 /nfs/dbraw/zinc/25/58/37/175255837.db2.gz UIPGHFZYAPDMJJ-LBPRGKRZSA-N 0 3 290.313 2.721 10 0 CFAEHN Cc1ccc([C@@H](C)NC(=O)[C@H](CN)Cc2ccccc2)o1 ZINC000044805959 175256621 /nfs/dbraw/zinc/25/66/21/175256621.db2.gz QULZEJMMCLPRJU-HIFRSBDPSA-N 0 3 286.375 2.583 10 0 CFAEHN CNC(=O)CCN[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000044988552 175285842 /nfs/dbraw/zinc/28/58/42/175285842.db2.gz ZAYRDYHGQDHZJW-LBPRGKRZSA-N 0 3 286.375 2.635 10 0 CFAEHN CC(C)C1N=NC(=S)N1C[C@@H](C)N1CCCCC1 ZINC000045005132 175288270 /nfs/dbraw/zinc/28/82/70/175288270.db2.gz VAIAQSHPWSITHY-LLVKDONJSA-N 0 3 268.430 2.565 10 0 CFAEHN COCC[C@](C)(NC1CC1)c1nc(C)c(C)s1 ZINC000045044774 175295653 /nfs/dbraw/zinc/29/56/53/175295653.db2.gz BJUYJXCBGXOOCQ-ZDUSSCGKSA-N 0 3 254.399 2.764 10 0 CFAEHN Nc1cccc(NC(=O)CN2CCC[C@H]2C2CCCC2)c1 ZINC000045066487 175299496 /nfs/dbraw/zinc/29/94/96/175299496.db2.gz LWBSOHGGMLOBMF-INIZCTEOSA-N 0 3 287.407 2.862 10 0 CFAEHN COc1ccccc1[C@@H](O)CN(C)CC(C)(C)C ZINC000045087326 175304367 /nfs/dbraw/zinc/30/43/67/175304367.db2.gz OMJJYYPCRAKZOF-ZDUSSCGKSA-N 0 3 251.370 2.707 10 0 CFAEHN CCC[C@@](C)(N)C(=O)N1CCC[C@H]1C1CCCC1 ZINC000045088493 175304912 /nfs/dbraw/zinc/30/49/12/175304912.db2.gz CCQTTYAEEAJCQV-DZGCQCFKSA-N 0 3 252.402 2.685 10 0 CFAEHN CC1(C)C[C@@H]1NCC(=O)Nc1ccccc1Cl ZINC000045119896 175312067 /nfs/dbraw/zinc/31/20/67/175312067.db2.gz VBIUCRJQNSAXTD-NSHDSACASA-N 0 3 252.745 2.667 10 0 CFAEHN C[C@H](C(N)=S)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000045147207 175317216 /nfs/dbraw/zinc/31/72/16/175317216.db2.gz YXQLIFKFUXCFPX-MRVPVSSYSA-N 0 3 276.327 2.812 10 0 CFAEHN C[C@@H](C(N)=S)N(C)Cc1ccc(Br)s1 ZINC000045147106 175317243 /nfs/dbraw/zinc/31/72/43/175317243.db2.gz NQSGMQMDTHWMTK-LURJTMIESA-N 0 3 293.255 2.617 10 0 CFAEHN COc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000045167278 175319559 /nfs/dbraw/zinc/31/95/59/175319559.db2.gz FCGZITXOSULXRD-LLVKDONJSA-N 0 3 273.380 2.896 10 0 CFAEHN CCn1nc(C)c([C@@H](C)NC[C@@H](O)c2ccccc2)c1C ZINC000045169690 175320682 /nfs/dbraw/zinc/32/06/82/175320682.db2.gz AZRLLDPBRNTERT-MLGOLLRUSA-N 0 3 287.407 2.904 10 0 CFAEHN CCn1nc(C)c([C@@H](C)NC[C@H]2CCCCN2C)c1C ZINC000045172741 175321953 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/nfs/dbraw/zinc/89/32/86/393893286.db2.gz HOQJHSOLBIXIKM-ZBFHGGJFSA-N 0 3 272.392 2.612 10 0 CFAEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCC2 ZINC000113226430 393896420 /nfs/dbraw/zinc/89/64/20/393896420.db2.gz UADVRZMWUDIYPH-WCQYABFASA-N 0 3 290.432 2.546 10 0 CFAEHN COC(=O)CCCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000116389616 393907777 /nfs/dbraw/zinc/90/77/77/393907777.db2.gz OIPDVHQKQVZQFS-LBPRGKRZSA-N 0 3 282.409 2.584 10 0 CFAEHN Cc1cc(NC(=O)N[C@H](CN(C)C)c2ccccc2)ccn1 ZINC000119141567 393914856 /nfs/dbraw/zinc/91/48/56/393914856.db2.gz VKOWTOOQYGKEJF-MRXNPFEDSA-N 0 3 298.390 2.814 10 0 CFAEHN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)[C@H]2CCCO2)cc1 ZINC000248853543 393916232 /nfs/dbraw/zinc/91/62/32/393916232.db2.gz JWXBUNLEVQHLNJ-HEHGZKQESA-N 0 3 290.407 2.733 10 0 CFAEHN CCC1CCC(NC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000120890629 393942739 /nfs/dbraw/zinc/94/27/39/393942739.db2.gz CHOVCPZJTLGOES-VXGQWTEUSA-N 0 3 293.455 2.880 10 0 CFAEHN CCN1CCC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126125871 394020840 /nfs/dbraw/zinc/02/08/40/394020840.db2.gz SUPRPGSFEQEAOQ-HOTGVXAUSA-N 0 3 284.407 2.573 10 0 CFAEHN CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263571987 393963395 /nfs/dbraw/zinc/96/33/95/393963395.db2.gz KGEBXNNCJHDZFN-CABCVRRESA-N 0 3 284.444 2.540 10 0 CFAEHN CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](N(C)CC(=O)[O-])CC1 ZINC000263571987 393963399 /nfs/dbraw/zinc/96/33/99/393963399.db2.gz KGEBXNNCJHDZFN-CABCVRRESA-N 0 3 284.444 2.540 10 0 CFAEHN COCc1nc(CNC[C@@H]2CCC[C@@H]2C)cs1 ZINC000684932174 542872666 /nfs/dbraw/zinc/87/26/66/542872666.db2.gz OJGKACJGQCHFTE-QWRGUYRKSA-N 0 3 254.399 2.815 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1scnc1C1CC1 ZINC000126873601 394038072 /nfs/dbraw/zinc/03/80/72/394038072.db2.gz CCGQGMHWTLTLLT-GFCCVEGCSA-N 0 3 293.436 2.577 10 0 CFAEHN CCC[C@H](C(=O)NCC[C@H](OCC)C1CCCC1)N(C)C ZINC000127622816 394052772 /nfs/dbraw/zinc/05/27/72/394052772.db2.gz WCRUQDFQIDQYMC-CVEARBPZSA-N 0 3 298.471 2.818 10 0 CFAEHN CC(C)c1ccc(CN2CCO[C@H](CN(C)C)C2)cc1 ZINC000128107428 394062779 /nfs/dbraw/zinc/06/27/79/394062779.db2.gz HTJWUFBMHMKTDD-QGZVFWFLSA-N 0 3 276.424 2.572 10 0 CFAEHN C[C@H]1CNCCN1c1cc(C(F)(F)F)ccc1F ZINC000035976742 134805201 /nfs/dbraw/zinc/80/52/01/134805201.db2.gz XDHGGKCNAPCJMP-QMMMGPOBSA-N 0 3 262.250 2.643 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)Cc1nc2cc(F)ccc2o1 ZINC000151975192 394267115 /nfs/dbraw/zinc/26/71/15/394267115.db2.gz CFMHVNCVJISBNI-CYBMUJFWSA-N 0 3 291.370 2.883 10 0 CFAEHN Cc1cc(N2CCCC[C@@H]2CO)c2ccccc2n1 ZINC000040429918 134859435 /nfs/dbraw/zinc/85/94/35/134859435.db2.gz FWEZWRRSMQBAGX-CYBMUJFWSA-N 0 3 256.349 2.894 10 0 CFAEHN CC(C)N1C[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000154650629 394298529 /nfs/dbraw/zinc/29/85/29/394298529.db2.gz RDSMKKXEEHMLQX-HZMBPMFUSA-N 0 3 298.789 2.938 10 0 CFAEHN Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)c(CN(C)C)c1 ZINC000154861498 394303077 /nfs/dbraw/zinc/30/30/77/394303077.db2.gz VSWTYZLJZCQZOQ-WFASDCNBSA-N 0 3 276.380 2.563 10 0 CFAEHN COC(=O)c1ccc(CN[C@H](C)c2cccc(C)c2)[nH]1 ZINC000157221743 394343081 /nfs/dbraw/zinc/34/30/81/394343081.db2.gz UANSHGIMMSWHIJ-GFCCVEGCSA-N 0 3 272.348 2.961 10 0 CFAEHN CCC[C@H](C(=O)NCCc1c(C)cccc1C)N(C)C ZINC000158066434 394353743 /nfs/dbraw/zinc/35/37/43/394353743.db2.gz AUNYTTIGDMUEAJ-MRXNPFEDSA-N 0 3 276.424 2.692 10 0 CFAEHN CCC[C@@H](N)C(=O)Nc1nc2c(cc(F)cc2OC)s1 ZINC000158623753 394359246 /nfs/dbraw/zinc/35/92/46/394359246.db2.gz OLIQGFODTYODTM-MRVPVSSYSA-N 0 3 297.355 2.510 10 0 CFAEHN CCC[C@H](N)C(=O)Nc1nc2c(cc(F)cc2OC)s1 ZINC000158623614 394359398 /nfs/dbraw/zinc/35/93/98/394359398.db2.gz OLIQGFODTYODTM-QMMMGPOBSA-N 0 3 297.355 2.510 10 0 CFAEHN C[C@H](N[C@@H]1CCCN(c2cccnn2)C1)c1ccsc1 ZINC000089733395 135060457 /nfs/dbraw/zinc/06/04/57/135060457.db2.gz IIJIABKYMMFQTH-GXTWGEPZSA-N 0 3 288.420 2.858 10 0 CFAEHN Cc1n[nH]cc1[C@H](C)N[C@@H](C)COCc1ccccc1 ZINC000180654515 543015139 /nfs/dbraw/zinc/01/51/39/543015139.db2.gz KRICXBZDICQQTD-STQMWFEESA-N 0 3 273.380 2.974 10 0 CFAEHN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181064094 543018749 /nfs/dbraw/zinc/01/87/49/543018749.db2.gz MXNVCEOOPOARIX-UONOGXRCSA-N 0 3 286.423 2.889 10 0 CFAEHN COCc1nc(CNC[C@H](C)CC(F)F)cs1 ZINC000647225786 395237901 /nfs/dbraw/zinc/23/79/01/395237901.db2.gz AQLJSWRTBXJNNK-MRVPVSSYSA-N 0 3 264.341 2.670 10 0 CFAEHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000648200614 395519340 /nfs/dbraw/zinc/51/93/40/395519340.db2.gz NYHMPTNTQIRCTH-NILFDRSVSA-N 0 3 266.429 2.835 10 0 CFAEHN CC(C)C[C@@H](N)C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000648200862 395520000 /nfs/dbraw/zinc/52/00/00/395520000.db2.gz USPYQTUVNNAFJO-CABCVRRESA-N 0 3 266.429 2.835 10 0 CFAEHN COc1ccc([C@H](C)N[C@H]2CCC[C@H](O)C2)c(OC)c1 ZINC000037165713 543026791 /nfs/dbraw/zinc/02/67/91/543026791.db2.gz BDSOFBGVVRIOEH-AVGNSLFASA-N 0 3 279.380 2.658 10 0 CFAEHN C[C@H](N[C@@H]1CCC[C@H](O)C1)c1ccc(F)cc1F ZINC000037165186 543026798 /nfs/dbraw/zinc/02/67/98/543026798.db2.gz OZRWTUXCZLUKCI-WCQGTBRESA-N 0 3 255.308 2.919 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CFAEHN CC[C@@H](N)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000037015503 397543555 /nfs/dbraw/zinc/54/35/55/397543555.db2.gz FMPUNHOVVIFISK-IUODEOHRSA-N 0 3 262.397 2.800 10 0 CFAEHN CCOc1ccc([C@H](C)NC(=O)[C@H](N)[C@H](C)CC)cc1 ZINC000037046164 397545709 /nfs/dbraw/zinc/54/57/09/397545709.db2.gz QHGGGJUYUGDSJJ-TYNCELHUSA-N 0 3 278.396 2.636 10 0 CFAEHN CO[C@@H](CN[C@H](C)c1cncc(F)c1)C1CCC1 ZINC000660242836 413173891 /nfs/dbraw/zinc/17/38/91/413173891.db2.gz RDWKIJURJCZFRU-YGRLFVJLSA-N 0 3 252.333 2.686 10 0 CFAEHN CCC[C@@H](CN[C@@H](C)c1c(C)nn(CC)c1C)OC ZINC000356332536 155229854 /nfs/dbraw/zinc/22/98/54/155229854.db2.gz JOBAZPSWSHXOGH-FZMZJTMJSA-N 0 3 267.417 2.986 10 0 CFAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1Cc1cccnc1C ZINC000375852281 157296209 /nfs/dbraw/zinc/29/62/09/157296209.db2.gz WLQHCYPFUCTZQN-IAGOWNOFSA-N 0 3 273.424 2.839 10 0 CFAEHN CC[C@H]1CN2CCCC[C@H]2CN1Cc1ncc(Cl)n1C ZINC000375880901 157300300 /nfs/dbraw/zinc/30/03/00/157300300.db2.gz OQUCOTZLEIVMMH-STQMWFEESA-N 0 3 296.846 2.522 10 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CCOc1ccc(OCC)c(NC(=O)[C@@H](N)CC(C)C)c1 ZINC000019425997 170795209 /nfs/dbraw/zinc/79/52/09/170795209.db2.gz YDASPGLLDYERKO-ZDUSSCGKSA-N 0 3 294.395 2.796 10 0 CFAEHN Cn1c2ccccc2nc1[C@H](N)Cc1ccc(O)cc1 ZINC000019734735 170848819 /nfs/dbraw/zinc/84/88/19/170848819.db2.gz XBWQVXBFSCGQIO-CYBMUJFWSA-N 0 3 267.332 2.521 10 0 CFAEHN Cc1cc(C)cc([C@H](N)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000019842803 170891179 /nfs/dbraw/zinc/89/11/79/170891179.db2.gz VGJWOIDELYFUAL-OAHLLOKOSA-N 0 3 267.332 2.521 10 0 CFAEHN COC(=O)c1ccc(CN[C@H](C)c2ccncc2)cc1 ZINC000020121322 171000725 /nfs/dbraw/zinc/00/07/25/171000725.db2.gz PPERXMNUBFFBHG-GFCCVEGCSA-N 0 3 270.332 2.719 10 0 CFAEHN COc1ccccc1CN(C)[C@H](CN)c1cccs1 ZINC000020225327 171087561 /nfs/dbraw/zinc/08/75/61/171087561.db2.gz LQGDUTDIIUVOCW-CYBMUJFWSA-N 0 3 276.405 2.889 10 0 CFAEHN COc1ccccc1CN(C)[C@H](CN)c1ccccc1F ZINC000020225613 171088268 /nfs/dbraw/zinc/08/82/68/171088268.db2.gz NFJJKFYVUUAKCH-MRXNPFEDSA-N 0 3 288.366 2.966 10 0 CFAEHN 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C[C@@H]1CN([C@@H](CN)c2ccc3ccccc3c2)C[C@H](C)O1 ZINC000022165893 171365800 /nfs/dbraw/zinc/36/58/00/171365800.db2.gz XQHUZQKRNFISEJ-IYOUNJFTSA-N 0 3 284.403 2.949 10 0 CFAEHN CC1CCN([C@H](CN)c2ccc(Br)o2)CC1 ZINC000022173249 171368982 /nfs/dbraw/zinc/36/89/82/171368982.db2.gz KNIJMKWBBBJENK-SNVBAGLBSA-N 0 3 287.201 2.774 10 0 CFAEHN CCN(CC(=O)Nc1cccc(N)c1)C1CCCCC1 ZINC000022174426 171369974 /nfs/dbraw/zinc/36/99/74/171369974.db2.gz FNQGXGNOXMLYAB-UHFFFAOYSA-N 0 3 275.396 2.862 10 0 CFAEHN COc1ccccc1[C@H](CN)N1CCc2sccc2C1 ZINC000022210598 171373590 /nfs/dbraw/zinc/37/35/90/171373590.db2.gz QZRIBCDVIQXNAQ-AWEZNQCLSA-N 0 3 288.416 2.815 10 0 CFAEHN C[C@@H]1CN([C@@H](CN)c2cccc3ccccc32)C[C@H](C)O1 ZINC000022220411 171377645 /nfs/dbraw/zinc/37/76/45/171377645.db2.gz LAZKWPZWVBFMMA-IYOUNJFTSA-N 0 3 284.403 2.949 10 0 CFAEHN CC1CCN([C@@H](CN)c2cnn(-c3ccccc3)c2)CC1 ZINC000022220615 171377657 /nfs/dbraw/zinc/37/76/57/171377657.db2.gz SEVMJLPGCKUPFI-KRWDZBQOSA-N 0 3 284.407 2.604 10 0 CFAEHN 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CCC(CC)NC(=O)[C@@H](C)N[C@H]1CCc2ccccc21 ZINC000035221953 172064901 /nfs/dbraw/zinc/06/49/01/172064901.db2.gz RMHSDSWHJPXXSY-WBMJQRKESA-N 0 3 274.408 2.957 10 0 CFAEHN CC[C@H](C)N(CC)c1nc2sccn2c1CNC ZINC000035430237 172199533 /nfs/dbraw/zinc/19/95/33/172199533.db2.gz VPISSIVNNFWSET-JTQLQIEISA-N 0 3 266.414 2.740 10 0 CFAEHN CN[C@@H](C)c1cc2c(cc1Br)OCCCO2 ZINC000035500878 172234832 /nfs/dbraw/zinc/23/48/32/172234832.db2.gz GOQYBBQESDBAOE-QMMMGPOBSA-N 0 3 286.169 2.891 10 0 CFAEHN CN[C@H](Cc1ncc[nH]1)c1ccc(F)cc1Br ZINC000035504212 172237296 /nfs/dbraw/zinc/23/72/96/172237296.db2.gz XPXYZQOADHFNEK-LLVKDONJSA-N 0 3 298.159 2.815 10 0 CFAEHN CCN[C@@H](c1cnn(C)c1)c1ccc(Br)cc1 ZINC000035556050 172261486 /nfs/dbraw/zinc/26/14/86/172261486.db2.gz HVTLQUYYFGJAKG-CYBMUJFWSA-N 0 3 294.196 2.882 10 0 CFAEHN CCN[C@@H](c1cc2c(cc1Cl)NC(=O)C2)C1CC1 ZINC000035571989 172268103 /nfs/dbraw/zinc/26/81/03/172268103.db2.gz KTLQYIKYQBPDGQ-CQSZACIVSA-N 0 3 264.756 2.895 10 0 CFAEHN CCCN[C@@H](c1cnn(C)c1)c1ccc(C)c(F)c1 ZINC000035584277 172283480 /nfs/dbraw/zinc/28/34/80/172283480.db2.gz DYONBFHUEQLZDD-OAHLLOKOSA-N 0 3 261.344 2.957 10 0 CFAEHN CCCN[C@H](C)c1cc2c(cc1F)NC(=O)CC2 ZINC000035587026 172286815 /nfs/dbraw/zinc/28/68/15/172286815.db2.gz KPKDZOLDODWGJG-SECBINFHSA-N 0 3 250.317 2.771 10 0 CFAEHN CCN[C@@H]1COc2c1cc(C)cc2Br ZINC000035653832 172330839 /nfs/dbraw/zinc/33/08/39/172330839.db2.gz RVRKEOFHYXZTFF-SNVBAGLBSA-N 0 3 256.143 2.801 10 0 CFAEHN CCCN[C@H]1COc2c1cccc2Br ZINC000035654532 172331511 /nfs/dbraw/zinc/33/15/11/172331511.db2.gz BCOHBHIUFMCJLB-JTQLQIEISA-N 0 3 256.143 2.882 10 0 CFAEHN Brc1ccc2c(c1)[C@H](NC1CC1)CO2 ZINC000035657573 172332625 /nfs/dbraw/zinc/33/26/25/172332625.db2.gz BBGGNGHGISKHCG-SNVBAGLBSA-N 0 3 254.127 2.635 10 0 CFAEHN CNCc1cc(Cl)cc(Cl)c1OCCOC ZINC000035661942 172339603 /nfs/dbraw/zinc/33/96/03/172339603.db2.gz QLAFAVNRBFWBRL-UHFFFAOYSA-N 0 3 264.152 2.738 10 0 CFAEHN CCCN[C@H]1C[C@H](C)S(=O)(=O)c2c(Cl)cccc21 ZINC000035761295 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CFAEHN CCCCC[N@H+](CC[C@](C)(NCC)C(=O)[O-])C(C)C ZINC000045278601 175348228 /nfs/dbraw/zinc/34/82/28/175348228.db2.gz GQGCNZTYPGLWQF-HNNXBMFYSA-N 0 3 272.433 2.730 10 0 CFAEHN CCCCC[N@@H+](CC[C@](C)(NCC)C(=O)[O-])C(C)C ZINC000045278601 175348229 /nfs/dbraw/zinc/34/82/29/175348229.db2.gz GQGCNZTYPGLWQF-HNNXBMFYSA-N 0 3 272.433 2.730 10 0 CFAEHN CCN[C@@](C)(CC[N@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281130 175352274 /nfs/dbraw/zinc/35/22/74/175352274.db2.gz MEEIEANKRDXBRU-XUJLQICISA-N 0 3 284.444 2.730 10 0 CFAEHN CCN[C@@](C)(CC[N@@H+](C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281130 175352275 /nfs/dbraw/zinc/35/22/75/175352275.db2.gz MEEIEANKRDXBRU-XUJLQICISA-N 0 3 284.444 2.730 10 0 CFAEHN CC[NH2+][C@@](C)(CCN(C)C1CCC(CC)CC1)C(=O)[O-] ZINC000045281130 175352276 /nfs/dbraw/zinc/35/22/76/175352276.db2.gz MEEIEANKRDXBRU-XUJLQICISA-N 0 3 284.444 2.730 10 0 CFAEHN CCCC[N@H+](CC[C@](C)(NCC)C(=O)[O-])[C@@H](C)CC ZINC000045282597 175352676 /nfs/dbraw/zinc/35/26/76/175352676.db2.gz 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COC1CCN([C@@H](CN)c2cccc(OC(C)C)c2)CC1 ZINC000040641133 174364292 /nfs/dbraw/zinc/36/42/92/174364292.db2.gz PTDKFZGVZKSVFG-KRWDZBQOSA-N 0 3 292.423 2.584 10 0 CFAEHN CN1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000040673533 174372481 /nfs/dbraw/zinc/37/24/81/174372481.db2.gz ZIUUHXRLZLUYPK-JTQLQIEISA-N 0 3 259.275 2.607 10 0 CFAEHN C[C@H](NC(C)(C)C(N)=O)c1ccc(C(F)(F)F)cc1 ZINC000040674297 174373067 /nfs/dbraw/zinc/37/30/67/174373067.db2.gz LKRMFKMTAOGHRA-QMMMGPOBSA-N 0 3 274.286 2.620 10 0 CFAEHN CCOC1CCN([C@@H](CN)c2sccc2C)CC1 ZINC000040689135 174375712 /nfs/dbraw/zinc/37/57/12/174375712.db2.gz CULANQXZHZJWKB-ZDUSSCGKSA-N 0 3 268.426 2.557 10 0 CFAEHN Cc1cccc(Sc2nnc(C)c(C)c2C(=N)N)c1 ZINC000040696230 174378106 /nfs/dbraw/zinc/37/81/06/174378106.db2.gz FWYMNJPJJWPGEG-UHFFFAOYSA-N 0 3 272.377 2.837 10 0 CFAEHN C[C@](N)(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000040713192 174381611 /nfs/dbraw/zinc/38/16/11/174381611.db2.gz QDLROYOPRGBOKJ-GFCCVEGCSA-N 0 3 290.260 2.910 10 0 CFAEHN CN(C)c1cccc(OC[C@H](N)c2ccccc2)c1 ZINC000040714328 174381963 /nfs/dbraw/zinc/38/19/63/174381963.db2.gz ZUBFWDKTJHICQI-INIZCTEOSA-N 0 3 256.349 2.831 10 0 CFAEHN CN1CCC[C@@H](Nc2nc3cc(F)ccc3s2)C1 ZINC000040715957 174383688 /nfs/dbraw/zinc/38/36/88/174383688.db2.gz OWOFRWRUGMAMFL-SNVBAGLBSA-N 0 3 265.357 2.942 10 0 CFAEHN Cc1cc(=O)n(C[C@@H](N)c2ccc(C(C)(C)C)cc2)cn1 ZINC000040728158 174388013 /nfs/dbraw/zinc/38/80/13/174388013.db2.gz CBHILPURUXJMAY-OAHLLOKOSA-N 0 3 285.391 2.549 10 0 CFAEHN O=[S@]1CCC[C@@H](NC2CC2)c2cc3c(cc21)CCC3 ZINC000040975569 174444054 /nfs/dbraw/zinc/44/40/54/174444054.db2.gz NNLBVULPWHQHDU-DNVCBOLYSA-N 0 3 275.417 2.870 10 0 CFAEHN CN[C@@H]1CCC[S@@](=O)c2ccc(C(C)C)cc21 ZINC000040976032 174444592 /nfs/dbraw/zinc/44/45/92/174444592.db2.gz PGCFCJIDOOOUAY-DYVFJYSZSA-N 0 3 251.395 2.972 10 0 CFAEHN CCCN[C@H]1c2cc(F)c(F)cc2[S@@](=O)C[C@@H]1C ZINC000040976670 174444727 /nfs/dbraw/zinc/44/47/27/174444727.db2.gz ZMMJBTKTOWNGAK-WBQSDNOHSA-N 0 3 273.348 2.763 10 0 CFAEHN CNCc1c(N(C)[C@H](C)CC(C)C)nc2ccccn21 ZINC000042588476 174810421 /nfs/dbraw/zinc/81/04/21/174810421.db2.gz YNNOQGAGIKPEBQ-CYBMUJFWSA-N 0 3 274.412 2.925 10 0 CFAEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(OC)ccc1Cl ZINC000043318569 175005520 /nfs/dbraw/zinc/00/55/20/175005520.db2.gz RNMOEOPLAIRZFU-UFBFGSQYSA-N 0 3 270.760 2.661 10 0 CFAEHN Cc1c(F)cccc1NC(=O)[C@H]1CCC[C@H](C)N1 ZINC000043322313 175006100 /nfs/dbraw/zinc/00/61/00/175006100.db2.gz GGSSRQWVTUIMCD-TVQRCGJNSA-N 0 3 250.317 2.603 10 0 CFAEHN CC[C@@H](N)[C@H](c1ccco1)N(C)Cc1ccccn1 ZINC000043334895 175010707 /nfs/dbraw/zinc/01/07/07/175010707.db2.gz HXIDGXRBDPYGQU-UKRRQHHQSA-N 0 3 259.353 2.585 10 0 CFAEHN C[C@H](N)[C@H](c1ccco1)N(C)Cc1cccc(F)c1 ZINC000043334643 175010835 /nfs/dbraw/zinc/01/08/35/175010835.db2.gz TXGYJALYQPGUMW-XHDPSFHLSA-N 0 3 262.328 2.939 10 0 CFAEHN C[C@H](N)[C@@H](c1ccco1)N(CC(F)(F)F)C1CC1 ZINC000043336307 175012307 /nfs/dbraw/zinc/01/23/07/175012307.db2.gz BZRNLFRFJXTKGB-KWQFWETISA-N 0 3 262.275 2.695 10 0 CFAEHN CC[C@H](N)[C@@H](c1ccco1)N(C)Cc1cscn1 ZINC000043336329 175012851 /nfs/dbraw/zinc/01/28/51/175012851.db2.gz JYCRGISCOZBVRP-AAEUAGOBSA-N 0 3 265.382 2.647 10 0 CFAEHN CCc1ccc(CN(C)[C@@H](CN)c2ccccn2)cc1 ZINC000043339433 175013862 /nfs/dbraw/zinc/01/38/62/175013862.db2.gz ZSBOQBHRXMFJPG-KRWDZBQOSA-N 0 3 269.392 2.776 10 0 CFAEHN C[C@H](N)[C@@H](c1ccccn1)N(Cc1ccco1)C1CC1 ZINC000043341097 175015429 /nfs/dbraw/zinc/01/54/29/175015429.db2.gz GYEUYSKIEUQXFN-LRDDRELGSA-N 0 3 271.364 2.728 10 0 CFAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N(C)Cc1ccccn1 ZINC000043364212 175024682 /nfs/dbraw/zinc/02/46/82/175024682.db2.gz ZCCXYNIBEMQYFX-HOCLYGCPSA-N 0 3 273.380 2.893 10 0 CFAEHN Cc1ccc([C@@H]([C@@H](C)N)N(C)CCc2ccccn2)o1 ZINC000043363920 175025091 /nfs/dbraw/zinc/02/50/91/175025091.db2.gz CKMQNIYAOGBHON-CZUORRHYSA-N 0 3 273.380 2.546 10 0 CFAEHN CC[C@H](N)[C@@H](c1ccc(C)o1)N(C)CC(F)(F)F ZINC000043364516 175025786 /nfs/dbraw/zinc/02/57/86/175025786.db2.gz XVRISUITIVERQK-ONGXEEELSA-N 0 3 264.291 2.861 10 0 CFAEHN COc1cc(C)ccc1O[C@@H](CN)c1ccc(C)o1 ZINC000043366242 175027017 /nfs/dbraw/zinc/02/70/17/175027017.db2.gz JBPOEZSBIOXRFB-HNNXBMFYSA-N 0 3 261.321 2.984 10 0 CFAEHN Cc1ccc([C@H](CN)Oc2ccc(F)c(F)c2)o1 ZINC000043366954 175027225 /nfs/dbraw/zinc/02/72/25/175027225.db2.gz YHZSCZKHTWKFRJ-ZDUSSCGKSA-N 0 3 253.248 2.945 10 0 CFAEHN Cc1ccc(CN)c(N(C)Cc2cccc(F)c2)n1 ZINC000043395559 175035674 /nfs/dbraw/zinc/03/56/74/175035674.db2.gz LCWIUPAJBQVPDV-UHFFFAOYSA-N 0 3 259.328 2.624 10 0 CFAEHN Cc1csc(Sc2nc(C)ccc2CN)n1 ZINC000043396591 175036076 /nfs/dbraw/zinc/03/60/76/175036076.db2.gz UDMHJSJBPKMNOZ-UHFFFAOYSA-N 0 3 251.380 2.765 10 0 CFAEHN COc1cc(C)ccc1Oc1nc(C)ccc1CN ZINC000043396226 175036101 /nfs/dbraw/zinc/03/61/01/175036101.db2.gz GWDYPVDBGRBBQY-UHFFFAOYSA-N 0 3 258.321 2.958 10 0 CFAEHN CC[C@H](C)N1C(=O)C[C@@H](NC(C)(C)CC(C)(C)C)C1=O ZINC000043434607 175044601 /nfs/dbraw/zinc/04/46/01/175044601.db2.gz VVYUGLOSWVANOE-NWDGAFQWSA-N 0 3 282.428 2.717 10 0 CFAEHN COC(=O)[C@H](CC(C)C)n1c(N)nc2cc(C)ccc21 ZINC000043436663 175045218 /nfs/dbraw/zinc/04/52/18/175045218.db2.gz OOLRVWQASPXAOE-ZDUSSCGKSA-N 0 3 275.352 2.687 10 0 CFAEHN CC1(C)C[C@@H](N)c2ccc(OCc3ccno3)cc2O1 ZINC000043460185 175050795 /nfs/dbraw/zinc/05/07/95/175050795.db2.gz XJWPKRHXUOIIPH-CYBMUJFWSA-N 0 3 274.320 2.815 10 0 CFAEHN CC1(C)C[C@H](N)c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2O1 ZINC000043460090 175051331 /nfs/dbraw/zinc/05/13/31/175051331.db2.gz AIPCKPYLKKOBQF-SOUVJXGZSA-N 0 3 291.391 2.930 10 0 CFAEHN CCCN[C@H](c1cnn(C)c1)c1cccc(OCC)c1 ZINC000043462192 175052058 /nfs/dbraw/zinc/05/20/58/175052058.db2.gz OZHKVGGTYPKWIF-INIZCTEOSA-N 0 3 273.380 2.908 10 0 CFAEHN CCCN[C@H](c1cnn(C)c1)c1ccc(F)c(C)c1 ZINC000043462351 175052147 /nfs/dbraw/zinc/05/21/47/175052147.db2.gz JMTJTEVYNJSWQM-HNNXBMFYSA-N 0 3 261.344 2.957 10 0 CFAEHN CCOc1cccc([C@H](NC)c2cnn(CC)c2)c1 ZINC000043468870 175053216 /nfs/dbraw/zinc/05/32/16/175053216.db2.gz OMCRCXSLIJYEOF-HNNXBMFYSA-N 0 3 259.353 2.611 10 0 CFAEHN CCCn1cc([C@@H](NC)c2ccc(OC)cc2)cn1 ZINC000043468752 175053244 /nfs/dbraw/zinc/05/32/44/175053244.db2.gz MEMYICNTXBVDNP-HNNXBMFYSA-N 0 3 259.353 2.611 10 0 CFAEHN CCn1cc([C@@H](NC)c2ccc(Br)cc2)cn1 ZINC000043468917 175053261 /nfs/dbraw/zinc/05/32/61/175053261.db2.gz DWROLHIAZQKODB-ZDUSSCGKSA-N 0 3 294.196 2.974 10 0 CFAEHN CCOc1cccc([C@@H](NC)c2cnn(CC)c2)c1 ZINC000043468868 175053440 /nfs/dbraw/zinc/05/34/40/175053440.db2.gz OMCRCXSLIJYEOF-OAHLLOKOSA-N 0 3 259.353 2.611 10 0 CFAEHN N[C@H](COC1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000043513100 175061552 /nfs/dbraw/zinc/06/15/52/175061552.db2.gz ZTBYOIVQDWAMDH-CYBMUJFWSA-N 0 3 289.297 2.901 10 0 CFAEHN CN1CCC(Nc2ccc(N)cc2Br)CC1 ZINC000043596881 175076896 /nfs/dbraw/zinc/07/68/96/175076896.db2.gz FXJAVXPFGHAHPN-UHFFFAOYSA-N 0 3 284.201 2.537 10 0 CFAEHN Cc1cccnc1-c1noc(C[C@@H](N)c2ccccc2)n1 ZINC000043616160 175079742 /nfs/dbraw/zinc/07/97/42/175079742.db2.gz IXLXZXMURFRWEG-CYBMUJFWSA-N 0 3 280.331 2.683 10 0 CFAEHN CCN[C@@H]1c2cccc(Br)c2[S@](=O)[C@@H]1C ZINC000043637220 175083670 /nfs/dbraw/zinc/08/36/70/175083670.db2.gz HDJYNEUVQKZEGS-OHVCQCOFSA-N 0 3 288.210 2.609 10 0 CFAEHN C[C@@H]1Oc2c(cc(Br)cc2Cl)[C@@H]1N ZINC000043641740 175084644 /nfs/dbraw/zinc/08/46/44/175084644.db2.gz AOUIHSYHCIMVOR-RNHFCUEFSA-N 0 3 262.534 2.883 10 0 CFAEHN CCN[C@H](CN(CC)CC)c1ccc(OC)cc1OC ZINC000043809176 175109376 /nfs/dbraw/zinc/10/93/76/175109376.db2.gz LDJYJQQZMRKQJB-OAHLLOKOSA-N 0 3 280.412 2.696 10 0 CFAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N1CCCC[C@@H]1C ZINC000043810167 175109482 /nfs/dbraw/zinc/10/94/82/175109482.db2.gz RQQPBALLQSUCGY-JLJPHGGASA-N 0 3 274.408 2.973 10 0 CFAEHN CCCN[C@@H]1c2ccccc2OC[C@H]1N(CC)CC ZINC000043809689 175109716 /nfs/dbraw/zinc/10/97/16/175109716.db2.gz WWKSVEHVXCUPRK-GDBMZVCRSA-N 0 3 262.397 2.830 10 0 CFAEHN CN[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)c1cc2ccccc2o1 ZINC000043811431 175110432 /nfs/dbraw/zinc/11/04/32/175110432.db2.gz NKHZBMBXEKTHTQ-GUTXKFCHSA-N 0 3 288.391 2.803 10 0 CFAEHN CN[C@@H](CN1CCCCCC1)c1ccc(OC)cc1OC ZINC000043811993 175110856 /nfs/dbraw/zinc/11/08/56/175110856.db2.gz MGIYWQRXEGZKJY-INIZCTEOSA-N 0 3 292.423 2.840 10 0 CFAEHN CCN[C@H]1c2ccccc2OC[C@H]1N1CCCCCC1 ZINC000043812240 175111026 /nfs/dbraw/zinc/11/10/26/175111026.db2.gz ZHVWLPNQONVTBQ-WBVHZDCISA-N 0 3 274.408 2.974 10 0 CFAEHN CN[C@H]1c2ccccc2OC[C@H]1N(C)C1CCCCC1 ZINC000043815034 175111595 /nfs/dbraw/zinc/11/15/95/175111595.db2.gz KMOKKJXLXWHSAP-WBVHZDCISA-N 0 3 274.408 2.973 10 0 CFAEHN CCCN[C@H]1c2ccccc2OC[C@H]1N1CCCCC1 ZINC000043814556 175111826 /nfs/dbraw/zinc/11/18/26/175111826.db2.gz BNILWCCKNNELQV-WBVHZDCISA-N 0 3 274.408 2.974 10 0 CFAEHN CN[C@H]1c2ccccc2OC[C@@H]1N(C)C1CCCCC1 ZINC000043815032 175111885 /nfs/dbraw/zinc/11/18/85/175111885.db2.gz KMOKKJXLXWHSAP-RDJZCZTQSA-N 0 3 274.408 2.973 10 0 CFAEHN CCN(C)C[C@H](NC)c1cccc(C(F)(F)F)c1 ZINC000043819953 175113953 /nfs/dbraw/zinc/11/39/53/175113953.db2.gz NWJFYJZLXOVYNT-LBPRGKRZSA-N 0 3 260.303 2.918 10 0 CFAEHN CCN[C@@H](CN(C)CC)c1cc(C)ccc1OC ZINC000043820565 175114062 /nfs/dbraw/zinc/11/40/62/175114062.db2.gz VCURYNNDRMVYNT-AWEZNQCLSA-N 0 3 250.386 2.606 10 0 CFAEHN CN[C@H]1c2ccccc2OC[C@@H]1N1CCCCCCC1 ZINC000043819123 175114067 /nfs/dbraw/zinc/11/40/67/175114067.db2.gz GBDBDPMLHFEQOH-RDJZCZTQSA-N 0 3 274.408 2.974 10 0 CFAEHN CCN(C[C@H](NC)c1ccccc1OC)C(C)C ZINC000043824017 175114811 /nfs/dbraw/zinc/11/48/11/175114811.db2.gz WEDGBJAFZCOHAA-AWEZNQCLSA-N 0 3 250.386 2.686 10 0 CFAEHN CCCN(C[C@H](NC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043885462 175116640 /nfs/dbraw/zinc/11/66/40/175116640.db2.gz QPTMUIVGLYUBHI-HNNXBMFYSA-N 0 3 292.423 2.839 10 0 CFAEHN CCCN(C[C@@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043885395 175116699 /nfs/dbraw/zinc/11/66/99/175116699.db2.gz ZXWWELGREFYTRM-CQSZACIVSA-N 0 3 276.380 2.550 10 0 CFAEHN CCCN(CC)C[C@H](NC)c1cc(C)ccc1OC ZINC000043884426 175117053 /nfs/dbraw/zinc/11/70/53/175117053.db2.gz KAMHUBUVMYXGGX-HNNXBMFYSA-N 0 3 264.413 2.996 10 0 CFAEHN CCN[C@H](CN(C)CC(C)C)c1cc(OC)ccc1OC ZINC000043886837 175117832 /nfs/dbraw/zinc/11/78/32/175117832.db2.gz OUMUTRBCXKTNKF-MRXNPFEDSA-N 0 3 294.439 2.942 10 0 CFAEHN CCN(C1CCCC1)[C@H]1COc2ccccc2[C@@H]1NC ZINC000043890589 175118270 /nfs/dbraw/zinc/11/82/70/175118270.db2.gz ARTKRMUGGSQVPJ-RDJZCZTQSA-N 0 3 274.408 2.973 10 0 CFAEHN CCCN[C@@H]1c2ccccc2OC[C@@H]1N1CCC[C@@H]1C ZINC000043903869 175122508 /nfs/dbraw/zinc/12/25/08/175122508.db2.gz WBFPHMISZLJFRX-JLJPHGGASA-N 0 3 274.408 2.973 10 0 CFAEHN CCN[C@@H](c1ccc(OC)cc1)[C@@H](C)n1cccn1 ZINC000043989429 175135267 /nfs/dbraw/zinc/13/52/67/175135267.db2.gz JQLUGMMFGKZVNP-IUODEOHRSA-N 0 3 259.353 2.804 10 0 CFAEHN CN[C@@H](Cn1ccccc1=O)c1c(C)cc(C)cc1C ZINC000043987867 175135313 /nfs/dbraw/zinc/13/53/13/175135313.db2.gz CISGATWIPBTNME-HNNXBMFYSA-N 0 3 270.376 2.734 10 0 CFAEHN CCCc1ccc([C@H](Cn2ccccc2=O)NC)cc1 ZINC000043987908 175135407 /nfs/dbraw/zinc/13/54/07/175135407.db2.gz CEOBJPOEWLSXIB-INIZCTEOSA-N 0 3 270.376 2.762 10 0 CFAEHN CCCN[C@H](Cn1cncn1)c1ccc(C)c(C)c1 ZINC000043990240 175135752 /nfs/dbraw/zinc/13/57/52/175135752.db2.gz NKBUZTUTBWTRIT-OAHLLOKOSA-N 0 3 258.369 2.636 10 0 CFAEHN CCOc1ccccc1[C@@H](Cn1ccnc1C)NC ZINC000043994514 175136202 /nfs/dbraw/zinc/13/62/02/175136202.db2.gz IOZRREAZNWHSMQ-CQSZACIVSA-N 0 3 259.353 2.551 10 0 CFAEHN CN[C@@H](Cn1ccnc1)c1ccc(OC(C)C)cc1 ZINC000043993268 175136490 /nfs/dbraw/zinc/13/64/90/175136490.db2.gz RGOVJAOZGBLSQN-HNNXBMFYSA-N 0 3 259.353 2.631 10 0 CFAEHN CCOc1ccc([C@@H](Cn2nc(C)cc2C)NC)cc1 ZINC000043995207 175136774 /nfs/dbraw/zinc/13/67/74/175136774.db2.gz NWXKWDRURIBOOP-MRXNPFEDSA-N 0 3 273.380 2.859 10 0 CFAEHN CN[C@H](CN1CCCCCC1=O)c1ccc(C)cc1C ZINC000043996545 175136803 /nfs/dbraw/zinc/13/68/03/175136803.db2.gz YTVNSUNCUHAFQR-MRXNPFEDSA-N 0 3 274.408 2.967 10 0 CFAEHN CN[C@@H](Cn1ccnc1C(C)C)c1ccc2c(c1)OCO2 ZINC000043997967 175136830 /nfs/dbraw/zinc/13/68/30/175136830.db2.gz OINQBOAZCYKYKC-ZDUSSCGKSA-N 0 3 287.363 2.696 10 0 CFAEHN CCN[C@@H](CN1CCOC1=O)c1cc2ccccc2o1 ZINC000043998178 175136855 /nfs/dbraw/zinc/13/68/55/175136855.db2.gz AOYXLGBJBPKISL-LBPRGKRZSA-N 0 3 274.320 2.536 10 0 CFAEHN CCN[C@H](CN1CCOC1=O)c1c(C)cc(C)cc1C ZINC000043998376 175136906 /nfs/dbraw/zinc/13/69/06/175136906.db2.gz QIFLGQOALWZPJT-CQSZACIVSA-N 0 3 276.380 2.715 10 0 CFAEHN CN[C@H](CN1CCCCC1=O)c1cc(C)ccc1C ZINC000043998881 175137687 /nfs/dbraw/zinc/13/76/87/175137687.db2.gz DTOCXDSFUGRPNO-OAHLLOKOSA-N 0 3 260.381 2.576 10 0 CFAEHN CCN[C@H](Cn1c(C)cccc1=O)c1cccc(OC)c1 ZINC000043999325 175137813 /nfs/dbraw/zinc/13/78/13/175137813.db2.gz LPUXMFBRBRVZJT-MRXNPFEDSA-N 0 3 286.375 2.516 10 0 CFAEHN CCN[C@@H](Cn1cc(C)cn1)c1ccc(OCC)cc1 ZINC000043999960 175138038 /nfs/dbraw/zinc/13/80/38/175138038.db2.gz IYHPUZBOKYLVQK-INIZCTEOSA-N 0 3 273.380 2.941 10 0 CFAEHN CCN[C@H](Cn1cnc(C)cc1=O)c1ccc(C)c(C)c1 ZINC000044000444 175138124 /nfs/dbraw/zinc/13/81/24/175138124.db2.gz QGUXMQVDTHTKJM-MRXNPFEDSA-N 0 3 285.391 2.519 10 0 CFAEHN CN[C@@H](Cn1c(C)cccc1=O)c1ccc(C)cc1C ZINC000043999373 175138131 /nfs/dbraw/zinc/13/81/31/175138131.db2.gz LQCOLSAZSXISPO-INIZCTEOSA-N 0 3 270.376 2.734 10 0 CFAEHN CCN[C@@H](Cn1ccnc1CC)c1ccc(OC)cc1 ZINC000044036879 175139929 /nfs/dbraw/zinc/13/99/29/175139929.db2.gz BXIQBPURLAMARI-HNNXBMFYSA-N 0 3 273.380 2.805 10 0 CFAEHN CN[C@H](COC1CCCC1)c1ccc2c(c1)OCO2 ZINC000044039292 175140008 /nfs/dbraw/zinc/14/00/08/175140008.db2.gz CMNBTKUQIVEXSL-CYBMUJFWSA-N 0 3 263.337 2.635 10 0 CFAEHN CN[C@H]1c2ccccc2OC[C@H]1Oc1cccc(OC)c1 ZINC000044051327 175140334 /nfs/dbraw/zinc/14/03/34/175140334.db2.gz UTMCPFJIRRKWPO-SJORKVTESA-N 0 3 285.343 2.796 10 0 CFAEHN CN[C@@H]1c2ccccc2OC[C@H]1Oc1ccccc1OC ZINC000044056290 175140578 /nfs/dbraw/zinc/14/05/78/175140578.db2.gz NVBZMYFBMQOKPI-IAGOWNOFSA-N 0 3 285.343 2.796 10 0 CFAEHN CN[C@H]1c2ccccc2OC[C@@H]1Oc1ccc(OC)cc1 ZINC000044057436 175140696 /nfs/dbraw/zinc/14/06/96/175140696.db2.gz BTUKNMFBLUAXNW-IRXDYDNUSA-N 0 3 285.343 2.796 10 0 CFAEHN 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288.435 2.905 10 0 CFAEHN C[C@@H](NC(=O)N1CC[C@@H](N(C)C)C1)c1cccc(Cl)c1 ZINC000170862759 379177968 /nfs/dbraw/zinc/17/79/68/379177968.db2.gz GGLUEYGTHGQNQP-BXUZGUMPSA-N 0 3 295.814 2.747 10 0 CFAEHN CCc1ccc([C@H](C)NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000170862854 379178255 /nfs/dbraw/zinc/17/82/55/379178255.db2.gz DUSVEZXXHWIICB-BBRMVZONSA-N 0 3 289.423 2.656 10 0 CFAEHN CN(C)[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000171069613 379222584 /nfs/dbraw/zinc/22/25/84/379222584.db2.gz HBQNMEBVJKQGNS-SNVBAGLBSA-N 0 3 285.750 2.647 10 0 CFAEHN FC1(F)CCC[C@@H]1CN1CCO[C@@]2(CCSC2)C1 ZINC000335407920 379235009 /nfs/dbraw/zinc/23/50/09/379235009.db2.gz JYJYCOYJCKPFIA-NEPJUHHUSA-N 0 3 277.380 2.630 10 0 CFAEHN CCN(CCNC(=O)N[C@H](C)c1cccs1)C1CC1 ZINC000171154711 379244738 /nfs/dbraw/zinc/24/47/38/379244738.db2.gz VQQNWYRASCELBS-LLVKDONJSA-N 0 3 281.425 2.593 10 0 CFAEHN CCCC[C@H](CC)CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171897183 379432343 /nfs/dbraw/zinc/43/23/43/379432343.db2.gz QELMOXHVMPXYDJ-LSDHHAIUSA-N 0 3 281.444 2.692 10 0 CFAEHN O=C(Nc1cccc2cccnc21)N1CCN2CCC[C@H]2C1 ZINC000171807556 379408635 /nfs/dbraw/zinc/40/86/35/379408635.db2.gz KXCZDAKVBKQVKC-AWEZNQCLSA-N 0 3 296.374 2.547 10 0 CFAEHN c1ncn(C[C@@H]2CCCN(Cc3ccc4c(c3)CCC4)C2)n1 ZINC000172290655 379533353 /nfs/dbraw/zinc/53/33/53/379533353.db2.gz UXQLOBBDZVREHS-MRXNPFEDSA-N 0 3 296.418 2.679 10 0 CFAEHN Cc1ncsc1CCN1CCC[C@H]1c1cnn(C)c1 ZINC000172534097 379590738 /nfs/dbraw/zinc/59/07/38/379590738.db2.gz LVMYVLNHXXNLFE-ZDUSSCGKSA-N 0 3 276.409 2.565 10 0 CFAEHN Cc1ncsc1CCN1CCCC[C@H]1c1cn[nH]c1 ZINC000172538624 379593956 /nfs/dbraw/zinc/59/39/56/379593956.db2.gz IPNNSKOGJRIIQS-ZDUSSCGKSA-N 0 3 276.409 2.944 10 0 CFAEHN CC[C@@H](N[C@@H]1CCc2ncnn2C1)c1cccc(Cl)c1 ZINC000173397008 379735020 /nfs/dbraw/zinc/73/50/20/379735020.db2.gz AWBMKIIHGFVLGX-ZIAGYGMSSA-N 0 3 290.798 2.987 10 0 CFAEHN Cc1cccc(NC(=O)N2CC[C@H](N(C)C)C2)c1Cl ZINC000174938046 379964299 /nfs/dbraw/zinc/96/42/99/379964299.db2.gz KKRZYXYVCFSGIM-NSHDSACASA-N 0 3 281.787 2.816 10 0 CFAEHN Cc1cccc(NC(=O)N2CC[C@@H](N(C)C)C2)c1Cl ZINC000174938064 379965075 /nfs/dbraw/zinc/96/50/75/379965075.db2.gz KKRZYXYVCFSGIM-LLVKDONJSA-N 0 3 281.787 2.816 10 0 CFAEHN CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(C)oc1C ZINC000174987251 379974501 /nfs/dbraw/zinc/97/45/01/379974501.db2.gz WIKUETHFUDYKOH-ZIAGYGMSSA-N 0 3 276.380 2.595 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)CCCc2ccc(C)s2)C1 ZINC000176029944 380170237 /nfs/dbraw/zinc/17/02/37/380170237.db2.gz KNKFTLDJONFYQH-CQSZACIVSA-N 0 3 294.464 2.980 10 0 CFAEHN CN(C)[C@@H]1CCN(C(=O)c2ccc(OC(C)(C)C)cc2)C1 ZINC000176042365 380171551 /nfs/dbraw/zinc/17/15/51/380171551.db2.gz LQMLPASEZWKSAQ-CQSZACIVSA-N 0 3 290.407 2.640 10 0 CFAEHN C[C@H](C(=O)N1CC[C@@H](N(C)C)C1)c1ccc(Cl)s1 ZINC000176205613 380196412 /nfs/dbraw/zinc/19/64/12/380196412.db2.gz SGIFSNYVKNXQRH-VHSXEESVSA-N 0 3 286.828 2.668 10 0 CFAEHN COCCN1CCN(CCCc2ccccc2C)C[C@H]1C ZINC000175905172 380152623 /nfs/dbraw/zinc/15/26/23/380152623.db2.gz ITHVYYHVPITGLU-QGZVFWFLSA-N 0 3 290.451 2.580 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccc(Cl)nc1 ZINC000176318872 380214952 /nfs/dbraw/zinc/21/49/52/380214952.db2.gz PHZNGUSWXWXZKR-LBPRGKRZSA-N 0 3 296.802 2.683 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)Cc1cccc(Cl)c1 ZINC000176995543 380293328 /nfs/dbraw/zinc/29/33/28/380293328.db2.gz ARQLEZZMRKTYQA-HNNXBMFYSA-N 0 3 294.826 2.825 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC000177016137 380294281 /nfs/dbraw/zinc/29/42/81/380294281.db2.gz ULBJELAHBRRYOK-LBPRGKRZSA-N 0 3 282.334 2.521 10 0 CFAEHN Fc1ccc2c(c1)[C@H](N1CCN3CCCC[C@@H]3C1)CC2 ZINC000177768740 380377967 /nfs/dbraw/zinc/37/79/67/380377967.db2.gz QZRFKPFCSYZHPC-NVXWUHKLSA-N 0 3 274.383 2.983 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)C1 ZINC000177436488 380341874 /nfs/dbraw/zinc/34/18/74/380341874.db2.gz RDEFGUCZWDXWTC-MRXNPFEDSA-N 0 3 286.419 2.610 10 0 CFAEHN C[C@@H]1OCC[C@H]1N[C@@H](c1ccccc1)c1cccnc1 ZINC000178688671 380477064 /nfs/dbraw/zinc/47/70/64/380477064.db2.gz MHZFORWBSKSCLM-XKQJLSEDSA-N 0 3 268.360 2.938 10 0 CFAEHN CC(C)(C)SCCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000179247301 380524161 /nfs/dbraw/zinc/52/41/61/380524161.db2.gz JTGUZRZGMNEOQH-CYBMUJFWSA-N 0 3 284.469 2.605 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000180572192 380677531 /nfs/dbraw/zinc/67/75/31/380677531.db2.gz AJPJEGCVIJTOAR-HUUCEWRRSA-N 0 3 293.455 2.835 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC000180445944 380661102 /nfs/dbraw/zinc/66/11/02/380661102.db2.gz BMEHARGCDXHBLA-MRXNPFEDSA-N 0 3 299.418 2.701 10 0 CFAEHN C[C@@H]1C[C@@H](O)CN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000401493781 380871644 /nfs/dbraw/zinc/87/16/44/380871644.db2.gz IMDMFYIKHNMARC-ZYHUDNBSSA-N 0 3 289.297 2.788 10 0 CFAEHN Cc1oncc1CN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000181712848 380872392 /nfs/dbraw/zinc/87/23/92/380872392.db2.gz BJZGEDPUESKIMA-AWEZNQCLSA-N 0 3 286.379 2.620 10 0 CFAEHN CC[C@H](CNCc1c(C)nn(C)c1OC)CC(F)(F)F ZINC000402558177 380888124 /nfs/dbraw/zinc/88/81/24/380888124.db2.gz HZHMCIFGDGSKAP-JTQLQIEISA-N 0 3 293.333 2.805 10 0 CFAEHN O=C(CCN1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000182185723 381014127 /nfs/dbraw/zinc/01/41/27/381014127.db2.gz BUGBSRRTLNJILG-UHFFFAOYSA-N 0 3 283.375 2.862 10 0 CFAEHN CN(C(=O)CN[C@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000183131177 381221415 /nfs/dbraw/zinc/22/14/15/381221415.db2.gz YGXJNFQVVIXFGR-KRWDZBQOSA-N 0 3 286.419 2.911 10 0 CFAEHN Cc1cc(CN2CCC[C@@H](O)[C@@H]2C)c2ccccc2n1 ZINC000296172435 381285434 /nfs/dbraw/zinc/28/54/34/381285434.db2.gz KZSKLXQCHVUPNO-SUMWQHHRSA-N 0 3 270.376 2.888 10 0 CFAEHN COCCCN(C)CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184005010 381353548 /nfs/dbraw/zinc/35/35/48/381353548.db2.gz YCLQWHQFDDSWLV-GJZGRUSLSA-N 0 3 298.471 2.533 10 0 CFAEHN CCC[C@@H](C(=O)NCc1ccc(C(F)F)cc1)N(C)C ZINC000185179607 381555513 /nfs/dbraw/zinc/55/55/13/381555513.db2.gz ZXZDMIDZHWVXTF-ZDUSSCGKSA-N 0 3 284.350 2.971 10 0 CFAEHN CCO[C@H]1C[C@@H](NCc2ccc(C)o2)C12CCOCC2 ZINC000185672888 381702583 /nfs/dbraw/zinc/70/25/83/381702583.db2.gz DRMHWMLTOZKJNV-CABCVRRESA-N 0 3 279.380 2.652 10 0 CFAEHN CCSc1cccc(CN2CCO[C@H](CN(C)C)C2)c1 ZINC000186152192 381836156 /nfs/dbraw/zinc/83/61/56/381836156.db2.gz OIEBMIVAOQEEBE-OAHLLOKOSA-N 0 3 294.464 2.561 10 0 CFAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)CCC1CC1 ZINC000186381055 381896879 /nfs/dbraw/zinc/89/68/79/381896879.db2.gz XPPFTHQPKKELBG-AAEUAGOBSA-N 0 3 262.401 2.844 10 0 CFAEHN CCNC(=O)C1CCN(c2ccnc3ccc(C)cc32)CC1 ZINC000302169995 382212509 /nfs/dbraw/zinc/21/25/09/382212509.db2.gz UDMPWVLDBQMEGM-UHFFFAOYSA-N 0 3 297.402 2.896 10 0 CFAEHN C[C@@H]1CSC[C@H]1NCc1cc(Br)co1 ZINC000306148298 382452719 /nfs/dbraw/zinc/45/27/19/382452719.db2.gz ASCWWGCTISPOHM-GMSGAONNSA-N 0 3 276.199 2.883 10 0 CFAEHN NCc1ccc2cc(Br)c(F)cc2n1 ZINC000306432021 382456412 /nfs/dbraw/zinc/45/64/12/382456412.db2.gz SEGPGWDAUWPBQT-UHFFFAOYSA-N 0 3 255.090 2.595 10 0 CFAEHN C[C@H]1CN(Cc2ccccc2)CCN1C1CCC(=O)CC1 ZINC000306701537 382460614 /nfs/dbraw/zinc/46/06/14/382460614.db2.gz LANWWWSCZOLSLS-HNNXBMFYSA-N 0 3 286.419 2.704 10 0 CFAEHN COCCN(Cc1ccccc1)Cc1ccc(N)cc1 ZINC000384382946 382553881 /nfs/dbraw/zinc/55/38/81/382553881.db2.gz KNIIKYRATBWIEH-UHFFFAOYSA-N 0 3 270.376 2.917 10 0 CFAEHN C[C@@H]1C[C@H]1NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000189143549 382554241 /nfs/dbraw/zinc/55/42/41/382554241.db2.gz LDZWWTMRAKFBBP-IAQYHMDHSA-N 0 3 259.328 2.569 10 0 CFAEHN CC[C@@](C)(CN[C@H](CN(C)C)c1ccccc1)OC ZINC000318935051 382533029 /nfs/dbraw/zinc/53/30/29/382533029.db2.gz BARIIFNHVWZAJQ-CVEARBPZSA-N 0 3 264.413 2.694 10 0 CFAEHN CC(C)OC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000295237281 382596797 /nfs/dbraw/zinc/59/67/97/382596797.db2.gz XRSCIMGKYXADJO-ZDUSSCGKSA-N 0 3 264.369 2.642 10 0 CFAEHN CCN1CC[C@H](NCc2ccccc2OC(C)C)C1 ZINC000389164379 382610755 /nfs/dbraw/zinc/61/07/55/382610755.db2.gz AYWYUMPPQUFYAL-HNNXBMFYSA-N 0 3 262.397 2.658 10 0 CFAEHN CCN1CC[C@H](N[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000389109281 382611741 /nfs/dbraw/zinc/61/17/41/382611741.db2.gz ADLSZYJIMUBXHB-HZMBPMFUSA-N 0 3 254.324 2.710 10 0 CFAEHN CCN1CC[C@H](NCc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535535 382615670 /nfs/dbraw/zinc/61/56/70/382615670.db2.gz JDLMEENYLYCQMY-LBPRGKRZSA-N 0 3 298.814 2.541 10 0 CFAEHN C[C@@H](CN1CCO[C@H](CN(C)C)C1)c1cccc(Cl)c1 ZINC000189510748 382618486 /nfs/dbraw/zinc/61/84/86/382618486.db2.gz XEGDGOQQYBXHTJ-XJKSGUPXSA-N 0 3 296.842 2.706 10 0 CFAEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2ccco2)C1 ZINC000190490786 382670711 /nfs/dbraw/zinc/67/07/11/382670711.db2.gz FMUATFILYYKAEL-MRXNPFEDSA-N 0 3 285.391 2.629 10 0 CFAEHN O[C@@H](CN1CCCC[C@@H]1c1cn[nH]c1)C1CCCCC1 ZINC000190872379 382683625 /nfs/dbraw/zinc/68/36/25/382683625.db2.gz LZZBVWHDZOVYFR-CVEARBPZSA-N 0 3 277.412 2.878 10 0 CFAEHN CC[C@](C)(O)CN1CCc2cc(Cl)ccc2C1 ZINC000192244543 382705929 /nfs/dbraw/zinc/70/59/29/382705929.db2.gz LTUBTNODNWWVPK-AWEZNQCLSA-N 0 3 253.773 2.859 10 0 CFAEHN Cc1cnn(CCN[C@@H]2CCCNc3ccccc32)c1 ZINC000192968941 382714210 /nfs/dbraw/zinc/71/42/10/382714210.db2.gz HBQGOUBTKZHSCP-MRXNPFEDSA-N 0 3 270.380 2.728 10 0 CFAEHN CCCCOC[C@@H](O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000193242920 382717243 /nfs/dbraw/zinc/71/72/43/382717243.db2.gz LUZWPUQYKRJYCJ-HIFRSBDPSA-N 0 3 283.387 2.962 10 0 CFAEHN CCCCOC[C@H](O)CN(C)Cc1ccc(C)cc1 ZINC000193245907 382717374 /nfs/dbraw/zinc/71/73/74/382717374.db2.gz YIUMWLWNAZFLLX-MRXNPFEDSA-N 0 3 265.397 2.604 10 0 CFAEHN CCCCOC[C@H](O)CN(Cc1ccccc1)C1CC1 ZINC000193369564 382719272 /nfs/dbraw/zinc/71/92/72/382719272.db2.gz ZCGBTGNGMJZNOK-QGZVFWFLSA-N 0 3 277.408 2.829 10 0 CFAEHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1O ZINC000193858786 382727149 /nfs/dbraw/zinc/72/71/49/382727149.db2.gz LZZCBUYZFMMNHE-MRXNPFEDSA-N 0 3 298.386 2.733 10 0 CFAEHN Cc1ccc([C@@H](C)NC(=O)NCCN2CCC[C@@H](C)C2)o1 ZINC000195619577 382770226 /nfs/dbraw/zinc/77/02/26/382770226.db2.gz ONFLGRGLNOKANM-TZMCWYRMSA-N 0 3 293.411 2.680 10 0 CFAEHN COc1ccc(Br)cc1[C@H](N)CCF ZINC000575440271 382771763 /nfs/dbraw/zinc/77/17/63/382771763.db2.gz YHDARXRKALNELF-SECBINFHSA-N 0 3 262.122 2.817 10 0 CFAEHN N[C@@H](CCF)c1c(F)cccc1Br ZINC000575440376 382771766 /nfs/dbraw/zinc/77/17/66/382771766.db2.gz RCPLXKCHUFETLL-QMMMGPOBSA-N 0 3 250.086 2.948 10 0 CFAEHN NC1(N)CC=C(c2ccccc2)C(Cl)(Cl)C1 ZINC000219467669 382794171 /nfs/dbraw/zinc/79/41/71/382794171.db2.gz HIEXRTKVUDQPRA-UHFFFAOYSA-N 0 3 257.164 2.651 10 0 CFAEHN N[C@@H](c1ccsc1Br)C1=COCC1 ZINC000575498456 382772912 /nfs/dbraw/zinc/77/29/12/382772912.db2.gz GLRVHAXVZCTUPT-MRVPVSSYSA-N 0 3 260.156 2.815 10 0 CFAEHN N[C@@]1(c2cscc2Br)CCSC1 ZINC000575571256 382774132 /nfs/dbraw/zinc/77/41/32/382774132.db2.gz IMRPDTQJUQFYTI-QMMMGPOBSA-N 0 3 264.213 2.802 10 0 CFAEHN CCOc1cc(C(F)(F)F)c(OCC)cc1CN ZINC000575721566 382795904 /nfs/dbraw/zinc/79/59/04/382795904.db2.gz OQYCXGHTLHUCIB-UHFFFAOYSA-N 0 3 263.259 2.962 10 0 CFAEHN CCCCOC[C@H](O)CN[C@H](C)c1ccc(OC)cc1 ZINC000227894053 382841944 /nfs/dbraw/zinc/84/19/44/382841944.db2.gz WGACRIRQJYWXEY-UKRRQHHQSA-N 0 3 281.396 2.523 10 0 CFAEHN CCCCOC[C@H](O)CN[C@@H](C)c1cccc(OC)c1 ZINC000227894822 382842196 /nfs/dbraw/zinc/84/21/96/382842196.db2.gz ABEXPHOZAUTWFT-DZGCQCFKSA-N 0 3 281.396 2.523 10 0 CFAEHN CCC[C@@H]1C[C@H]1NCc1cc(OC)c(OC)cc1OC ZINC000231674798 382866466 /nfs/dbraw/zinc/86/64/66/382866466.db2.gz GRMLFEPGMXVJIW-DGCLKSJQSA-N 0 3 279.380 2.991 10 0 CFAEHN CCC[C@H](N)C(=O)N(CC)[C@H](CC)Cc1ccccc1 ZINC000236793597 382918589 /nfs/dbraw/zinc/91/85/89/382918589.db2.gz NJWCTXJMPALIQX-CVEARBPZSA-N 0 3 276.424 2.984 10 0 CFAEHN CCC[C@H](N)C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000236848119 382924236 /nfs/dbraw/zinc/92/42/36/382924236.db2.gz JVUDYACVELCEFC-HNNXBMFYSA-N 0 3 292.398 2.881 10 0 CFAEHN CCC[C@H](N)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000236899951 382927857 /nfs/dbraw/zinc/92/78/57/382927857.db2.gz NGGTUPMRZIAAKI-JSGCOSHPSA-N 0 3 254.418 2.979 10 0 CFAEHN CCc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000245755512 383032268 /nfs/dbraw/zinc/03/22/68/383032268.db2.gz ONBFWXPGIYRDGN-XJKSGUPXSA-N 0 3 263.381 2.969 10 0 CFAEHN CCCCC[C@H](CC)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245944314 383052228 /nfs/dbraw/zinc/05/22/28/383052228.db2.gz VGTBLTFXUAXEIL-GJZGRUSLSA-N 0 3 266.429 2.900 10 0 CFAEHN CCCC[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000246023670 383059536 /nfs/dbraw/zinc/05/95/36/383059536.db2.gz PMJKGSNRNUQSOS-RBSFLKMASA-N 0 3 281.444 2.691 10 0 CFAEHN CCc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000246970121 383126677 /nfs/dbraw/zinc/12/66/77/383126677.db2.gz DPFOPJGRRQVMFW-CJNGLKHVSA-N 0 3 272.392 2.558 10 0 CFAEHN CC[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCN(CC)C2)C1 ZINC000247002687 383130415 /nfs/dbraw/zinc/13/04/15/383130415.db2.gz IFPWMNSSGLSYAR-KFWWJZLASA-N 0 3 281.444 2.739 10 0 CFAEHN COc1cccc([C@@H](C)N2CCN3CCCC[C@H]3C2)c1 ZINC000247029926 383134905 /nfs/dbraw/zinc/13/49/05/383134905.db2.gz MTOSLVQMVJOPQL-ZBFHGGJFSA-N 0 3 274.408 2.926 10 0 CFAEHN CCCCCN1CCN(CCOCC)[C@@H](CC)C1 ZINC000246717389 383095796 /nfs/dbraw/zinc/09/57/96/383095796.db2.gz NVICASWMKSGRLT-HNNXBMFYSA-N 0 3 256.434 2.609 10 0 CFAEHN Cc1ccc([C@@H]2CCCCN2C[C@@H](O)COC(C)C)o1 ZINC000246792307 383104692 /nfs/dbraw/zinc/10/46/92/383104692.db2.gz PDNAWDOBOWOESU-CABCVRRESA-N 0 3 281.396 2.901 10 0 CFAEHN CCN1CCC[C@@H](N[C@H](C)c2cnn(C(C)C)c2)C1 ZINC000246859345 383113339 /nfs/dbraw/zinc/11/33/39/383113339.db2.gz CXWMGXPYKUGTEI-UKRRQHHQSA-N 0 3 264.417 2.599 10 0 CFAEHN CSc1ccsc1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000247442993 383173053 /nfs/dbraw/zinc/17/30/53/383173053.db2.gz SDKWGYYTPZIAOK-GHMZBOCLSA-N 0 3 298.477 2.929 10 0 CFAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC000247456934 383174103 /nfs/dbraw/zinc/17/41/03/383174103.db2.gz UBHXXAQXFRVSHA-GOEBONIOSA-N 0 3 286.419 2.563 10 0 CFAEHN CC[C@@H](c1ccccc1)N1CCN(C[C@H](C)O)[C@H](CC)C1 ZINC000247738185 383194198 /nfs/dbraw/zinc/19/41/98/383194198.db2.gz NEAJIXAXSFXAAK-JQHSSLGASA-N 0 3 290.451 2.915 10 0 CFAEHN Cc1cccc([C@H]2CCCN2C[C@@H](O)COC(C)(C)C)n1 ZINC000247933274 383200353 /nfs/dbraw/zinc/20/03/53/383200353.db2.gz CFOYUYFMOJDACN-GDBMZVCRSA-N 0 3 292.423 2.703 10 0 CFAEHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)COC(C)(C)C)n1 ZINC000247933276 383200946 /nfs/dbraw/zinc/20/09/46/383200946.db2.gz CFOYUYFMOJDACN-ZBFHGGJFSA-N 0 3 292.423 2.703 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)C[C@H](C)c2cccc(F)c2)C1 ZINC000247334457 383164190 /nfs/dbraw/zinc/16/41/90/383164190.db2.gz YOKDAYPEKGVIJL-XJKSGUPXSA-N 0 3 292.398 2.920 10 0 CFAEHN COc1c(CNC[C@@H]2CCCC2(C)C)c(C)nn1C ZINC000339577760 383249514 /nfs/dbraw/zinc/24/95/14/383249514.db2.gz PUNVKZMQCGIADM-LBPRGKRZSA-N 0 3 265.401 2.653 10 0 CFAEHN CN(CCN(C)[C@H]1CCSC1)Cc1ccc(F)cc1 ZINC000248555405 383258464 /nfs/dbraw/zinc/25/84/64/383258464.db2.gz KLFAGJISGBNVCR-HNNXBMFYSA-N 0 3 282.428 2.695 10 0 CFAEHN Cc1ccccc1[C@@H](C)N1CCC[C@@H](n2cncn2)C1 ZINC000248152714 383215971 /nfs/dbraw/zinc/21/59/71/383215971.db2.gz QXWDOGWVQNWBLV-HUUCEWRRSA-N 0 3 270.380 2.985 10 0 CFAEHN Cc1ccc([C@H]2CCCCN2CCN2CCO[C@@H](C)C2)o1 ZINC000249287493 383338190 /nfs/dbraw/zinc/33/81/90/383338190.db2.gz OVTTXVDNVSIACP-JKSUJKDBSA-N 0 3 292.423 2.836 10 0 CFAEHN CC(C)N1C[C@@H](C)[C@H](NCc2nccn2-c2ccccc2)C1 ZINC000249431351 383345505 /nfs/dbraw/zinc/34/55/05/383345505.db2.gz IREFHOVMLVROLW-NVXWUHKLSA-N 0 3 298.434 2.691 10 0 CFAEHN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc2ccccc2n1 ZINC000248856183 383298789 /nfs/dbraw/zinc/29/87/89/383298789.db2.gz WAMREZWNCZEYIG-YWVIFJGQSA-N 0 3 270.376 2.969 10 0 CFAEHN O[C@@H](CC1CCCC1)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000249055412 383322658 /nfs/dbraw/zinc/32/26/58/383322658.db2.gz ISYGFGBSIJIPKQ-JKSUJKDBSA-N 0 3 277.412 2.878 10 0 CFAEHN COc1ccccc1CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000251653203 383392142 /nfs/dbraw/zinc/39/21/42/383392142.db2.gz GNRVJGVOOJVMSE-ZBFHGGJFSA-N 0 3 274.408 2.754 10 0 CFAEHN C[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000252100743 383404618 /nfs/dbraw/zinc/40/46/18/383404618.db2.gz IIUQZCOPXFGJKF-INWMFGNUSA-N 0 3 290.382 2.562 10 0 CFAEHN CCN1CCC[C@H](N[C@H](C)c2ccc(OC)cc2F)C1 ZINC000249612503 383353303 /nfs/dbraw/zinc/35/33/03/383353303.db2.gz FIHZOSFIYOTLOX-OLZOCXBDSA-N 0 3 280.387 2.969 10 0 CFAEHN CCN1CC[C@@H](N)[C@H]1c1ccc(Br)s1 ZINC000250343330 383374855 /nfs/dbraw/zinc/37/48/55/383374855.db2.gz QBDZBPQQGVUJGW-XCBNKYQSSA-N 0 3 275.215 2.605 10 0 CFAEHN CCc1ccc([C@H](C)N[C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634949002 383418283 /nfs/dbraw/zinc/41/82/83/383418283.db2.gz DKQLDDRMNVIGEH-BBRMVZONSA-N 0 3 295.448 2.867 10 0 CFAEHN CC(C)(C)OC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000258508874 383499409 /nfs/dbraw/zinc/49/94/09/383499409.db2.gz HKAZEUVGRXCMPS-CYBMUJFWSA-N 0 3 278.352 2.695 10 0 CFAEHN Cc1cccc(N[C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261948998 383584018 /nfs/dbraw/zinc/58/40/18/383584018.db2.gz OBRKOPXCJBLURD-BZUAXINKSA-N 0 3 260.381 2.564 10 0 CFAEHN Cc1ccc(N[C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000262022493 383595846 /nfs/dbraw/zinc/59/58/46/383595846.db2.gz WSJRLCAHVONWDQ-ARFHVFGLSA-N 0 3 260.381 2.564 10 0 CFAEHN C[C@@H]1CC(F)(F)CCN1C[C@@H](O)COCc1ccccc1 ZINC000528768128 383631393 /nfs/dbraw/zinc/63/13/93/383631393.db2.gz NRXCNLIEDAUEDR-UKRRQHHQSA-N 0 3 299.361 2.684 10 0 CFAEHN COc1ccc([C@H](C)NC[C@@H](O)C(C)(C)C)cc1OC ZINC000266795910 384238930 /nfs/dbraw/zinc/23/89/30/384238930.db2.gz QJZWPDBYHNHLBX-XHDPSFHLSA-N 0 3 281.396 2.761 10 0 CFAEHN C[C@H](NCCn1cncn1)c1ccc2ccccc2c1 ZINC000267185460 384318061 /nfs/dbraw/zinc/31/80/61/384318061.db2.gz CLRYHURKBQRDFX-ZDUSSCGKSA-N 0 3 266.348 2.782 10 0 CFAEHN COc1cc(CNC[C@H](O)C(C)(C)C)ccc1Cl ZINC000644662805 384983434 /nfs/dbraw/zinc/98/34/34/384983434.db2.gz DUPLHIWWSZGXFS-ZDUSSCGKSA-N 0 3 271.788 2.845 10 0 CFAEHN C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(Cl)c1Cl ZINC000282282008 385270788 /nfs/dbraw/zinc/27/07/88/385270788.db2.gz IHOHGWWKMTZDQC-KWQFWETISA-N 0 3 287.190 2.750 10 0 CFAEHN Cc1ccc(C)c(OCCN2CC[C@@H](O)C[C@H]2C)c1 ZINC000639940395 385789466 /nfs/dbraw/zinc/78/94/66/385789466.db2.gz BDMDLZVEIYHSLR-HUUCEWRRSA-N 0 3 263.381 2.527 10 0 CFAEHN CC[C@H]1CN2CCCC[C@@H]2CN1Cc1cncc(F)c1 ZINC000681751456 542485431 /nfs/dbraw/zinc/48/54/31/542485431.db2.gz QTZMORLVSZJONB-JKSUJKDBSA-N 0 3 277.387 2.669 10 0 CFAEHN COCc1nc(CNCC2CC(C)(C)C2)cs1 ZINC000681985559 542502912 /nfs/dbraw/zinc/50/29/12/542502912.db2.gz FKGCMYGKBMAHFR-UHFFFAOYSA-N 0 3 254.399 2.815 10 0 CFAEHN CCC[C@H](NC[C@@H]1CN(CC)CCO1)c1ccccc1 ZINC000163843483 542565191 /nfs/dbraw/zinc/56/51/91/542565191.db2.gz PMGWCJYZLSIXRZ-SJORKVTESA-N 0 3 276.424 2.838 10 0 CFAEHN c1cc2c(s1)C1(CCN(C[C@@H]3CCCO3)CC1)OCC2 ZINC000334271928 285457888 /nfs/dbraw/zinc/45/78/88/285457888.db2.gz HUSZRLQSNKMQGS-AWEZNQCLSA-N 0 3 293.432 2.791 10 0 CFAEHN c1cc2c(o1)CCC[C@H]2N[C@@H]1CCCN(c2cccnn2)C1 ZINC000190944453 285457148 /nfs/dbraw/zinc/45/71/48/285457148.db2.gz WPTFYSTUWIKDIY-UKRRQHHQSA-N 0 3 298.390 2.706 10 0 CFAEHN Cc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1Cl ZINC000247533009 131105724 /nfs/dbraw/zinc/10/57/24/131105724.db2.gz XRQAFHQOPIQDQD-OCCSQVGLSA-N 0 3 292.810 2.957 10 0 CFAEHN COc1ccc(OC)c([C@H](C)N[C@H]2CCCC[C@H]2O)c1 ZINC000251799935 131132138 /nfs/dbraw/zinc/13/21/38/131132138.db2.gz YAHKGJUSZUMSKC-TUKIKUTGSA-N 0 3 279.380 2.658 10 0 CFAEHN CCC[C@](C)(N)C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1 ZINC000262567728 131234418 /nfs/dbraw/zinc/23/44/18/131234418.db2.gz MDBXWXKTVIVSGB-PJODQICGSA-N 0 3 296.386 2.535 10 0 CFAEHN C[C@@H](NC[C@@H](O)C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000268895775 132084372 /nfs/dbraw/zinc/08/43/72/132084372.db2.gz PGEFGMMPTJKHFW-IAQYHMDHSA-N 0 3 279.380 2.515 10 0 CFAEHN COc1ccccc1CN(C)C[C@@H]1CCC[C@@H](O)C1 ZINC000381706074 393565898 /nfs/dbraw/zinc/56/58/98/393565898.db2.gz HZDFDNGZKOVATJ-UKRRQHHQSA-N 0 3 263.381 2.678 10 0 CFAEHN CCc1ccc([C@@H](C)NC[C@@H]2CN(CC)CCO2)s1 ZINC000165254609 542800427 /nfs/dbraw/zinc/80/04/27/542800427.db2.gz APPATIDERCDLHE-CHWSQXEVSA-N 0 3 282.453 2.682 10 0 CFAEHN CCN1CCC[C@H](NC(=O)Nc2ccc(C)c(F)c2)C1 ZINC000048769849 393600483 /nfs/dbraw/zinc/60/04/83/393600483.db2.gz ZIQBSLOCQZTVDD-ZDUSSCGKSA-N 0 3 279.359 2.740 10 0 CFAEHN CC[C@@H]1CN2CCCC[C@@H]2CN1CCC[C@@H]1CCOC1 ZINC000401168495 393602487 /nfs/dbraw/zinc/60/24/87/393602487.db2.gz MRNLCUPLXUHATA-BRWVUGGUSA-N 0 3 280.456 2.752 10 0 CFAEHN CCCC[C@H]1CCC[C@H]1NCc1nnc(CC)n1C ZINC000191831559 393608364 /nfs/dbraw/zinc/60/83/64/393608364.db2.gz XEGNBJLINNAKFT-QWHCGFSZSA-N 0 3 264.417 2.826 10 0 CFAEHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccnc1Cl ZINC000083704290 393744696 /nfs/dbraw/zinc/74/46/96/393744696.db2.gz DKHUJKHSBQEUNH-GXTWGEPZSA-N 0 3 279.815 2.794 10 0 CFAEHN Cc1cnn(CCN[C@H]2CCc3c2cccc3F)c1 ZINC000222271341 393763322 /nfs/dbraw/zinc/76/33/22/393763322.db2.gz DYYXIWVNPIDTCG-HNNXBMFYSA-N 0 3 259.328 2.608 10 0 CFAEHN CCN1CCC[C@H](NC(=O)CCCc2cccs2)C1 ZINC000194625085 393709428 /nfs/dbraw/zinc/70/94/28/393709428.db2.gz CAHKGGNOXCRQQV-ZDUSSCGKSA-N 0 3 280.437 2.671 10 0 CFAEHN COc1c(CN(C)[C@H]2CCC[C@@H](C)C2)c(C)nn1C ZINC000245503594 393811039 /nfs/dbraw/zinc/81/10/39/393811039.db2.gz INFQZHXSYPOEFR-YPMHNXCESA-N 0 3 265.401 2.748 10 0 CFAEHN COc1c(CN(C)[C@@H]2CCC[C@@H](C)C2)c(C)nn1C ZINC000245503592 393811179 /nfs/dbraw/zinc/81/11/79/393811179.db2.gz INFQZHXSYPOEFR-DGCLKSJQSA-N 0 3 265.401 2.748 10 0 CFAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(Cl)o1 ZINC000246834139 393886306 /nfs/dbraw/zinc/88/63/06/393886306.db2.gz AVLTYNQLGYYBLZ-QWRGUYRKSA-N 0 3 282.771 2.632 10 0 CFAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC000247465879 393898829 /nfs/dbraw/zinc/89/88/29/393898829.db2.gz UUSRZZABDAGMBN-SUMWQHHRSA-N 0 3 297.402 2.693 10 0 CFAEHN COC(=O)CCCN1CCC[C@@H](c2nc(C)cs2)C1 ZINC000116389613 393907551 /nfs/dbraw/zinc/90/75/51/393907551.db2.gz OIPDVHQKQVZQFS-GFCCVEGCSA-N 0 3 282.409 2.584 10 0 CFAEHN CC[C@H](C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C)N(C)C ZINC000248407524 393908180 /nfs/dbraw/zinc/90/81/80/393908180.db2.gz DENUSQYLBWJTBD-WQVCFCJDSA-N 0 3 274.408 2.685 10 0 CFAEHN CCN1CCC[C@@H](NC(=O)N2CC[C@@H](CC(C)C)C2)C1 ZINC000246181145 393851907 /nfs/dbraw/zinc/85/19/07/393851907.db2.gz LURFOPOFLNMIAG-LSDHHAIUSA-N 0 3 281.444 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CN(C)CCCn1c2cccc(F)c2[nH]c1=S ZINC000037422331 173198653 /nfs/dbraw/zinc/19/86/53/173198653.db2.gz YRYYYKLODOWMPB-UHFFFAOYSA-N 0 3 253.346 2.790 10 0 CFAEHN CC(C)[C@H](N)c1nc2cc(Br)ccc2n1C ZINC000037441356 173210831 /nfs/dbraw/zinc/21/08/31/173210831.db2.gz SREPLSBYGAKNGA-NSHDSACASA-N 0 3 282.185 2.992 10 0 CFAEHN CCn1c2cccc(F)c2nc1[C@@H](N)CCSC ZINC000037442651 173211204 /nfs/dbraw/zinc/21/12/04/173211204.db2.gz DIPIIRSFCUAVTQ-JTQLQIEISA-N 0 3 267.373 2.948 10 0 CFAEHN CC(C)Cc1ccc([C@@](C)(NC(C)C)C(N)=O)cc1 ZINC000037446485 173213516 /nfs/dbraw/zinc/21/35/16/173213516.db2.gz BNXWFNODKYPDAW-MRXNPFEDSA-N 0 3 262.397 2.584 10 0 CFAEHN CC(C)N[C@](C)(C(N)=O)c1cccc2ccccc21 ZINC000037446572 173213583 /nfs/dbraw/zinc/21/35/83/173213583.db2.gz FVXZVWWXWLJREZ-INIZCTEOSA-N 0 3 256.349 2.538 10 0 CFAEHN CCC[C@](C)(N)C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000037622164 173574259 /nfs/dbraw/zinc/57/42/59/173574259.db2.gz KPLRYWVJWMUQMD-NHYWBVRUSA-N 0 3 282.815 2.905 10 0 CFAEHN 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Cc1ccc(OC[C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000040499947 174296730 /nfs/dbraw/zinc/29/67/30/174296730.db2.gz NKVUMBYYMWHKIM-KBPBESRZSA-N 0 3 292.423 2.655 10 0 CFAEHN CCN(CC)c1ncc(CN[C@@H]2CCCN(CC)C2)s1 ZINC000040502792 174298789 /nfs/dbraw/zinc/29/87/89/174298789.db2.gz UCTOLBCUZRVNKX-CYBMUJFWSA-N 0 3 296.484 2.563 10 0 CFAEHN CCN1CCC[C@@H](N[C@@H]2CCOc3ccccc32)C1 ZINC000040502424 174299268 /nfs/dbraw/zinc/29/92/68/174299268.db2.gz ZGWHMWJDWXHJBW-UKRRQHHQSA-N 0 3 260.381 2.584 10 0 CFAEHN CCn1c2ccccc2nc1CN[C@H]1CCCN(CC)C1 ZINC000040503014 174299957 /nfs/dbraw/zinc/29/99/57/174299957.db2.gz KIGJGLXFTKCMNI-AWEZNQCLSA-N 0 3 286.423 2.630 10 0 CFAEHN Cc1cc(C)c(CN)c(N(C)Cc2cccs2)n1 ZINC000040509422 174303387 /nfs/dbraw/zinc/30/33/87/174303387.db2.gz HWSSRCKLDVWADR-UHFFFAOYSA-N 0 3 261.394 2.855 10 0 CFAEHN Cc1cc(C)c(CN)c(N2CCC[C@@H]2c2cccnc2)n1 ZINC000040509481 174303624 /nfs/dbraw/zinc/30/36/24/174303624.db2.gz JPSCAQFZQNBQSZ-MRXNPFEDSA-N 0 3 282.391 2.894 10 0 CFAEHN CCc1[nH]c([C@H]2C[C@H](OC)CN2)nc1-c1ccccc1 ZINC000040637788 174361589 /nfs/dbraw/zinc/36/15/89/174361589.db2.gz ZNRIRJRDMJNNKZ-GXTWGEPZSA-N 0 3 271.364 2.689 10 0 CFAEHN CCOc1ccc(-c2c[nH]c([C@@H]3C[C@@H](OC)CN3)n2)cc1 ZINC000040637717 174361615 /nfs/dbraw/zinc/36/16/15/174361615.db2.gz AHUCRFHWPCYOBA-KGLIPLIRSA-N 0 3 287.363 2.525 10 0 CFAEHN CO[C@H]1CN[C@@H](c2nc(-c3ccc(C)cc3C)c[nH]2)C1 ZINC000040637898 174361733 /nfs/dbraw/zinc/36/17/33/174361733.db2.gz CFJVIXBSTUHTMU-TZMCWYRMSA-N 0 3 271.364 2.743 10 0 CFAEHN Cn1ccnc1CCN[C@H]1CCSc2c(F)cccc21 ZINC000040639239 174363897 /nfs/dbraw/zinc/36/38/97/174363897.db2.gz GIRYNSSPUJNDLX-ZDUSSCGKSA-N 0 3 291.395 2.928 10 0 CFAEHN Cn1ccnc1CCN[C@H]1CSCc2ccccc21 ZINC000040639342 174364012 /nfs/dbraw/zinc/36/40/12/174364012.db2.gz ORSAMOVGYMGCBU-AWEZNQCLSA-N 0 3 273.405 2.540 10 0 CFAEHN CN1CCC[C@@H](N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC000040672760 174371361 /nfs/dbraw/zinc/37/13/61/174371361.db2.gz YFXDXUUODQCDPN-MSOLQXFVSA-N 0 3 281.403 2.855 10 0 CFAEHN C[C@@H]1CCN([C@@H](CN)c2ccccc2OC(F)(F)F)C1 ZINC000040717589 174384872 /nfs/dbraw/zinc/38/48/72/174384872.db2.gz RAQZGTXLTRMGMG-PWSUYJOCSA-N 0 3 288.313 2.927 10 0 CFAEHN COc1cccc([C@H](N)Cn2nc(C)c(C)c2C)c1 ZINC000040729590 174388411 /nfs/dbraw/zinc/38/84/11/174388411.db2.gz HENZEOFEUKEQSR-OAHLLOKOSA-N 0 3 259.353 2.517 10 0 CFAEHN CCc1c(C)nn([C@H]2COc3ccccc3[C@@H]2N)c1C ZINC000040732347 174388651 /nfs/dbraw/zinc/38/86/51/174388651.db2.gz RRXCGMRIMQJVEI-HOCLYGCPSA-N 0 3 271.364 2.696 10 0 CFAEHN CCN(CC)Cc1ccccc1NC(=O)c1cn[nH]c1 ZINC000040833156 174415665 /nfs/dbraw/zinc/41/56/65/174415665.db2.gz QRGVPMURBXYYHY-UHFFFAOYSA-N 0 3 272.352 2.504 10 0 CFAEHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000040852275 174421274 /nfs/dbraw/zinc/42/12/74/174421274.db2.gz GLUPZOAAYSNNNS-GBIKHYSHSA-N 0 3 268.788 2.891 10 0 CFAEHN CCN[C@]1(c2nc(CC)c(C)s2)CCSC1 ZINC000041061160 174465813 /nfs/dbraw/zinc/46/58/13/174465813.db2.gz DJEXBCJYDBOWLT-GFCCVEGCSA-N 0 3 256.440 2.956 10 0 CFAEHN CCCN[C@@H](CO)c1cc(Br)cs1 ZINC000041678713 174603264 /nfs/dbraw/zinc/60/32/64/174603264.db2.gz GXLDQMOZYHOYSA-QMMMGPOBSA-N 0 3 264.188 2.544 10 0 CFAEHN C[C@@H](CN1CCCC1)NCc1ccccc1Cl ZINC000042371993 174701794 /nfs/dbraw/zinc/70/17/94/174701794.db2.gz BASYKRJQHRIFOU-LBPRGKRZSA-N 0 3 252.789 2.914 10 0 CFAEHN CCCCN(C(=O)[C@@H]1CCC[C@H](C)N1)[C@H](C)CC ZINC000042610495 174823714 /nfs/dbraw/zinc/82/37/14/174823714.db2.gz JUEVEBVFKPAEIJ-MJBXVCDLSA-N 0 3 254.418 2.944 10 0 CFAEHN CN[C@@H](c1ccc(C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043300542 175001494 /nfs/dbraw/zinc/00/14/94/175001494.db2.gz XSELCGRDMZBPJW-GJZGRUSLSA-N 0 3 281.421 2.505 10 0 CFAEHN Cc1c(F)cccc1NC(=O)c1cccc(CN)c1 ZINC000043319329 175005506 /nfs/dbraw/zinc/00/55/06/175005506.db2.gz FKOCSTLOTPBVJU-UHFFFAOYSA-N 0 3 258.296 2.845 10 0 CFAEHN COc1cccc(CN(C)[C@@H](c2ccco2)[C@@H](C)N)c1 ZINC000043335631 175010937 /nfs/dbraw/zinc/01/09/37/175010937.db2.gz CZQPJEQBNNFSAB-MLGOLLRUSA-N 0 3 274.364 2.809 10 0 CFAEHN CC[C@@H](N)[C@H](c1ccco1)N(C)C[C@@H]1CCCCO1 ZINC000043335734 175011238 /nfs/dbraw/zinc/01/12/38/175011238.db2.gz ZBMAWHNXIJVATH-GZBFAFLISA-N 0 3 266.385 2.559 10 0 CFAEHN C[C@@H](N)[C@@H](OCc1ccc2c(c1)OCO2)c1ccco1 ZINC000043337230 175012854 /nfs/dbraw/zinc/01/28/54/175012854.db2.gz YOZFNHYUVLPINM-MEBBXXQBSA-N 0 3 275.304 2.613 10 0 CFAEHN C[C@@H](N)[C@H](c1ccccn1)N1CCc2sccc2C1 ZINC000043338765 175013416 /nfs/dbraw/zinc/01/34/16/175013416.db2.gz DDWRHIVLJVUKEK-IAQYHMDHSA-N 0 3 273.405 2.590 10 0 CFAEHN NC[C@H](Oc1cccc2cccnc21)c1cccnc1 ZINC000043350644 175019905 /nfs/dbraw/zinc/01/99/05/175019905.db2.gz DNTYGSCPUCQLNO-HNNXBMFYSA-N 0 3 265.316 2.709 10 0 CFAEHN Cc1ccccc1CN(C)[C@@H](CN)c1ccncc1 ZINC000043353557 175020734 /nfs/dbraw/zinc/02/07/34/175020734.db2.gz BLJDVRKEHRTGAG-INIZCTEOSA-N 0 3 255.365 2.522 10 0 CFAEHN CCN(Cc1ccccc1C)[C@H](CN)c1ccncc1 ZINC000043353704 175020940 /nfs/dbraw/zinc/02/09/40/175020940.db2.gz REUQUIYLIJXPNK-QGZVFWFLSA-N 0 3 269.392 2.912 10 0 CFAEHN C[C@@H]1c2ccsc2CCN1[C@@H](CN)c1ccncc1 ZINC000043354807 175022332 /nfs/dbraw/zinc/02/23/32/175022332.db2.gz PGXMMWPCIAKHLL-RISCZKNCSA-N 0 3 273.405 2.762 10 0 CFAEHN Cc1ccc([C@H]([C@H](C)N)N(C)Cc2cccnc2)o1 ZINC000043364195 175024835 /nfs/dbraw/zinc/02/48/35/175024835.db2.gz RFGGSVCWTRMBSC-WFASDCNBSA-N 0 3 259.353 2.503 10 0 CFAEHN CC(=O)Nc1ccccc1O[C@H](CN)c1ccc(C)o1 ZINC000043366232 175027331 /nfs/dbraw/zinc/02/73/31/175027331.db2.gz KLBCPGCUKJZRFY-OAHLLOKOSA-N 0 3 274.320 2.625 10 0 CFAEHN CC[C@H]1CO[C@H](C)CN1[C@@H](CN)c1cc(C)cc(C)c1 ZINC000043394340 175034786 /nfs/dbraw/zinc/03/47/86/175034786.db2.gz DXFROMRVIROOFI-PVAVHDDUSA-N 0 3 276.424 2.803 10 0 CFAEHN Cc1cc(C)cc([C@H](CN)N(C)Cc2ccncc2)c1 ZINC000043394128 175034976 /nfs/dbraw/zinc/03/49/76/175034976.db2.gz WHCBQMMCUGCDGF-KRWDZBQOSA-N 0 3 269.392 2.830 10 0 CFAEHN C[C@H]1CCC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N1 ZINC000043437309 175045198 /nfs/dbraw/zinc/04/51/98/175045198.db2.gz BFWLMSIQBYQWRD-RYUDHWBXSA-N 0 3 254.418 2.848 10 0 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CFAEHN CC(C)(NC[C@H]1CCC[C@H](O)C1)c1nccs1 ZINC000310553820 413084545 /nfs/dbraw/zinc/08/45/45/413084545.db2.gz XJSXHTMNNHJUSQ-QWRGUYRKSA-N 0 3 254.399 2.519 10 0 CFAEHN CCCCCNC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000047577859 397586466 /nfs/dbraw/zinc/58/64/66/397586466.db2.gz YHYDVAJTOQFEJN-HNNXBMFYSA-N 0 3 277.412 2.779 10 0 CFAEHN O[C@@H]1CCCC[C@@H]1N1CCC(CC(F)(F)F)CC1 ZINC000334288094 296563438 /nfs/dbraw/zinc/56/34/38/296563438.db2.gz IGKWCIDSCBVONV-NWDGAFQWSA-N 0 3 265.319 2.954 10 0 CFAEHN CN(C)[C@H]1CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC000255192208 397628889 /nfs/dbraw/zinc/62/88/89/397628889.db2.gz AQNQBOUSWWSGJZ-DIEDAUMRSA-N 0 3 272.392 2.643 10 0 CFAEHN Cc1cccc2c(N3CC[C@H](N4CC=CC4)C3)ccnc12 ZINC000301663696 397638775 /nfs/dbraw/zinc/63/87/75/397638775.db2.gz KPBSIXWFMFGXDC-HNNXBMFYSA-N 0 3 279.387 2.994 10 0 CFAEHN CCC[C@@H](CN[C@H](C)c1c(C)nn(CC)c1C)OC ZINC000356332538 155229937 /nfs/dbraw/zinc/22/99/37/155229937.db2.gz JOBAZPSWSHXOGH-RISCZKNCSA-N 0 3 267.417 2.986 10 0 CFAEHN [NH3+]CCCc1cc(Cl)c(Br)cc1[O-] ZINC000044282546 175158610 /nfs/dbraw/zinc/15/86/10/175158610.db2.gz MAZUJXKCPXVAOY-UHFFFAOYSA-N 0 3 264.550 2.699 10 0 CFAEHN C[C@@H](NCc1ccc(F)c(F)c1F)[C@@H]1CCCO1 ZINC000657309004 413427846 /nfs/dbraw/zinc/42/78/46/413427846.db2.gz FZBYUKNRLKSTSR-KCJUWKMLSA-N 0 3 259.271 2.761 10 0 CFAEHN CC[C@@H]1C[C@@H](N[C@@H](C)c2ccc(OC)c(OC)c2)CO1 ZINC000657320161 413440676 /nfs/dbraw/zinc/44/06/76/413440676.db2.gz VIDKECGVWOFLGJ-IACUBPJLSA-N 0 3 279.380 2.922 10 0 CFAEHN CC[C@@H]1CCCC[C@H]1N[C@@H]1CCCn2nc(C)nc21 ZINC000181754755 287046761 /nfs/dbraw/zinc/04/67/61/287046761.db2.gz CDTLWCYLERRAIE-MGPQQGTHSA-N 0 3 262.401 2.980 10 0 CFAEHN O=C(CNC1CCCCCC1)Nc1ccc2c(c1)OCO2 ZINC000004896294 170037559 /nfs/dbraw/zinc/03/75/59/170037559.db2.gz VNNOXCVMQMLANJ-UHFFFAOYSA-N 0 3 290.363 2.666 10 0 CFAEHN CCN(CC)CCn1nc(-c2ccc(C)cc2C)ccc1=O ZINC000005401437 170094823 /nfs/dbraw/zinc/09/48/23/170094823.db2.gz ZBNGVGCRKQCCDO-UHFFFAOYSA-N 0 3 299.418 2.869 10 0 CFAEHN 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COc1ccc(Cl)cc1[C@H](N)Cc1ccccn1 ZINC000020429087 171193959 /nfs/dbraw/zinc/19/39/59/171193959.db2.gz SBBLLFOUDXBUAU-CYBMUJFWSA-N 0 3 262.740 2.986 10 0 CFAEHN Cc1nn(C)c(Oc2cccc(Br)c2)c1CN ZINC000020470284 171212494 /nfs/dbraw/zinc/21/24/94/171212494.db2.gz PYZJUTGGUUAXOU-UHFFFAOYSA-N 0 3 296.168 2.742 10 0 CFAEHN COc1ccc([C@@H](N)COC(C)(C)C)c(OC)c1 ZINC000020510849 171230720 /nfs/dbraw/zinc/23/07/20/171230720.db2.gz AEJWRBBUVORHHK-LBPRGKRZSA-N 0 3 253.342 2.519 10 0 CFAEHN Cc1nn(C)c(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c1CN ZINC000020517723 171233084 /nfs/dbraw/zinc/23/30/84/171233084.db2.gz VJUUWEIRIJKPTH-ZYHUDNBSSA-N 0 3 265.401 2.781 10 0 CFAEHN CC(C)(CO)NCc1cc2ccccc2nc1Cl ZINC000020935391 171281494 /nfs/dbraw/zinc/28/14/94/171281494.db2.gz ZPZURZOFIWCDJF-UHFFFAOYSA-N 0 3 264.756 2.749 10 0 CFAEHN COc1ccc(OC)c([C@@H](CN)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000022168599 171366550 /nfs/dbraw/zinc/36/65/50/171366550.db2.gz KFBZPOPUHBSIAN-XJKCOSOUSA-N 0 3 292.423 2.682 10 0 CFAEHN Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000022169352 171367254 /nfs/dbraw/zinc/36/72/54/171367254.db2.gz QSQRKFVPAOCORO-GFCCVEGCSA-N 0 3 290.388 2.816 10 0 CFAEHN C[C@H]1C[C@H]1c1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000022172716 171369011 /nfs/dbraw/zinc/36/90/11/171369011.db2.gz XEZPLHBFBPDJAV-ODXJTPSBSA-N 0 3 278.396 2.512 10 0 CFAEHN C[C@H]1CCCCN1[C@@H](CN)c1c(F)cccc1F ZINC000022176217 171370560 /nfs/dbraw/zinc/37/05/60/171370560.db2.gz KHOIAOFQRUPTGG-GWCFXTLKSA-N 0 3 254.324 2.839 10 0 CFAEHN COc1cccc([C@H](N)COc2ccc(F)cc2)c1 ZINC000023068266 171408900 /nfs/dbraw/zinc/40/89/00/171408900.db2.gz QZQBDZVHLVBSIB-OAHLLOKOSA-N 0 3 261.296 2.913 10 0 CFAEHN C[C@@H]1C[C@H](C)CN(Cc2cc(N)cc3c2OCOC3)C1 ZINC000034964108 171907754 /nfs/dbraw/zinc/90/77/54/171907754.db2.gz MBHRNKQQUIOYDY-TXEJJXNPSA-N 0 3 276.380 2.613 10 0 CFAEHN Cc1ccc(Cl)cc1NC(=O)CN[C@H](C)C1CC1 ZINC000035174492 172027976 /nfs/dbraw/zinc/02/79/76/172027976.db2.gz HCOIEUGXDMWFSB-SNVBAGLBSA-N 0 3 266.772 2.975 10 0 CFAEHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)NCc1ccco1 ZINC000035180672 172034156 /nfs/dbraw/zinc/03/41/56/172034156.db2.gz QOGCFCANGUZPCA-LRDDRELGSA-N 0 3 284.359 2.561 10 0 CFAEHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000035221858 172064704 /nfs/dbraw/zinc/06/47/04/172064704.db2.gz HYBUSYKGNIYICG-WOSRLPQWSA-N 0 3 274.408 2.957 10 0 CFAEHN CC[C@@H](C)NC(=O)[C@@H](C)N[C@@H]1CCCc2ccccc21 ZINC000035221857 172064867 /nfs/dbraw/zinc/06/48/67/172064867.db2.gz HYBUSYKGNIYICG-XJKCOSOUSA-N 0 3 274.408 2.957 10 0 CFAEHN CC[C@H]1CSC(NCCc2ccc(F)cc2)=N1 ZINC000035294460 172105841 /nfs/dbraw/zinc/10/58/41/172105841.db2.gz VLLUORBGCYPRPY-LBPRGKRZSA-N 0 3 252.358 2.839 10 0 CFAEHN COc1cccc(CNC(C)C)c1OC[C@H]1CCCO1 ZINC000035413820 172186467 /nfs/dbraw/zinc/18/64/67/172186467.db2.gz QLUZNEJPNAXHQG-CQSZACIVSA-N 0 3 279.380 2.751 10 0 CFAEHN C[C@@H](N)c1ccc2ccccc2c1O[C@H](C)C(=O)N(C)C ZINC000035427267 172194870 /nfs/dbraw/zinc/19/48/70/172194870.db2.gz YRCPGTSEQPHLJY-VXGBXAGGSA-N 0 3 286.375 2.715 10 0 CFAEHN CCCN(CCC)c1nc2sccn2c1CNC ZINC000035429743 172198192 /nfs/dbraw/zinc/19/81/92/172198192.db2.gz FGWTYGSJVHALHJ-UHFFFAOYSA-N 0 3 266.414 2.742 10 0 CFAEHN CN[C@H](c1ccc(C)s1)c1ccc(S(C)(=O)=O)cc1 ZINC000035459213 172208505 /nfs/dbraw/zinc/20/85/05/172208505.db2.gz PXWVBUYZGHHBFJ-AWEZNQCLSA-N 0 3 295.429 2.769 10 0 CFAEHN CN[C@@H](c1cc(OC)c(OC)cc1Cl)[C@H]1CCCO1 ZINC000035501270 172235968 /nfs/dbraw/zinc/23/59/68/172235968.db2.gz ZXEVBOLHVCDKQY-RISCZKNCSA-N 0 3 285.771 2.797 10 0 CFAEHN CN[C@@H](c1cc2c(cc1F)NC(=O)CC2)C1CCC1 ZINC000035506966 172240305 /nfs/dbraw/zinc/24/03/05/172240305.db2.gz QPKAJVGFWPPQDM-OAHLLOKOSA-N 0 3 262.328 2.771 10 0 CFAEHN CCN[C@H]1COc2c1cc(F)cc2Br ZINC000035655192 172331933 /nfs/dbraw/zinc/33/19/33/172331933.db2.gz ZAYMTGSGHQTZGQ-VIFPVBQESA-N 0 3 260.106 2.631 10 0 CFAEHN CCCNCc1cc(Cl)cc(Cl)c1OCCO ZINC000035662135 172340381 /nfs/dbraw/zinc/34/03/81/172340381.db2.gz WGFFRJANSZIWQO-UHFFFAOYSA-N 0 3 278.179 2.864 10 0 CFAEHN CN(Cc1ccco1)[C@@H](CN)c1ccc(Br)o1 ZINC000035701294 172368766 /nfs/dbraw/zinc/36/87/66/172368766.db2.gz VGSJBFHOMRVSPW-JTQLQIEISA-N 0 3 299.168 2.767 10 0 CFAEHN CCN[C@@H]1CCS(=O)(=O)c2ccc(C(C)C)cc21 ZINC000035762679 172402029 /nfs/dbraw/zinc/40/20/29/172402029.db2.gz IKIWFUPJRRUQHS-CYBMUJFWSA-N 0 3 267.394 2.638 10 0 CFAEHN CC(C)n1nnnc1CN[C@H]1CCCC12CCCCC2 ZINC000661128178 413773742 /nfs/dbraw/zinc/77/37/42/413773742.db2.gz ILYFNKMBNLSJEM-ZDUSSCGKSA-N 0 3 277.416 2.847 10 0 CFAEHN C[C@H]([C@H](N)c1ccccc1)N(C)Cc1ccccn1 ZINC000036777413 172694161 /nfs/dbraw/zinc/69/41/61/172694161.db2.gz ZBLJBMBWDFBRAC-CJNGLKHVSA-N 0 3 255.365 2.602 10 0 CFAEHN CN1C[C@@H](CNCc2ccc(Cl)cc2Cl)CC1=O ZINC000657693663 413856375 /nfs/dbraw/zinc/85/63/75/413856375.db2.gz DQZGMPGIPZUZMU-SECBINFHSA-N 0 3 287.190 2.561 10 0 CFAEHN CN1C[C@@H](CNCc2cc(Cl)sc2Cl)CC1=O ZINC000657696538 413860940 /nfs/dbraw/zinc/86/09/40/413860940.db2.gz KOWZHXWOEOGFAU-SSDOTTSWSA-N 0 3 293.219 2.623 10 0 CFAEHN 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ZINC000037262005 173071719 /nfs/dbraw/zinc/07/17/19/173071719.db2.gz YZYZKINXTGOPFU-NSHDSACASA-N 0 3 275.179 2.910 10 0 CFAEHN COC1CCN(Cc2ccc(Cl)c(N)c2)CC1 ZINC000037265622 173073995 /nfs/dbraw/zinc/07/39/95/173073995.db2.gz ZXMQAJMKOPWUAD-UHFFFAOYSA-N 0 3 254.761 2.533 10 0 CFAEHN O=C(CNC1CCCC1)Nc1ccc(F)cc1Cl ZINC000037386827 173169637 /nfs/dbraw/zinc/16/96/37/173169637.db2.gz QJIMUJIXCFGIEE-UHFFFAOYSA-N 0 3 270.735 2.950 10 0 CFAEHN CC[C@H](C)NCC(=O)Nc1cc(Cl)ccc1OC ZINC000037386440 173170138 /nfs/dbraw/zinc/17/01/38/173170138.db2.gz UMBNFQAYFICHLC-VIFPVBQESA-N 0 3 270.760 2.675 10 0 CFAEHN CC(C)NCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037389774 173173053 /nfs/dbraw/zinc/17/30/53/173173053.db2.gz SKCQJQGVOCHEBR-CYBMUJFWSA-N 0 3 274.408 2.741 10 0 CFAEHN C[C@](N)(C(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000037478791 173228555 /nfs/dbraw/zinc/22/85/55/173228555.db2.gz ROTUYVARQLZSMS-GFCCVEGCSA-N 0 3 283.169 2.515 10 0 CFAEHN C[C@H](NC1CC(CO)C1)c1ccccc1Br ZINC000658351533 414396464 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/nfs/dbraw/zinc/01/38/45/187013845.db2.gz RBPLTEYQFSGNNW-UHFFFAOYSA-N 0 3 299.418 2.942 10 0 CFAEHN CC[C@](C)(O)CN(C)Cc1cc(OC)c(OC)cc1C ZINC000123052040 187068543 /nfs/dbraw/zinc/06/85/43/187068543.db2.gz WYWHPVXOPKVSQM-INIZCTEOSA-N 0 3 281.396 2.605 10 0 CFAEHN Cc1cc(C)n(C[C@@H]2CN(C[C@H]3CC=CCC3)CCO2)n1 ZINC000122540630 187037290 /nfs/dbraw/zinc/03/72/90/187037290.db2.gz JJQFDUSFDPHVKK-IRXDYDNUSA-N 0 3 289.423 2.557 10 0 CFAEHN CCc1nccn1[C@@H]1CCCN(Cc2cccnc2C)C1 ZINC000122942552 187061113 /nfs/dbraw/zinc/06/11/13/187061113.db2.gz CNHKDNGXJZFEKK-MRXNPFEDSA-N 0 3 284.407 2.986 10 0 CFAEHN CCc1nccn1[C@H]1CCCN(Cc2cccn2C)C1 ZINC000122951072 187061598 /nfs/dbraw/zinc/06/15/98/187061598.db2.gz WDGQSRSPWAGUNI-HNNXBMFYSA-N 0 3 272.396 2.621 10 0 CFAEHN CC(=O)Oc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000123026920 187067055 /nfs/dbraw/zinc/06/70/55/187067055.db2.gz JIVLQKQQXAELFZ-UHFFFAOYSA-N 0 3 299.374 2.715 10 0 CFAEHN C[C@@H](CC(=O)N1CC[C@H](N(C)C)C1)c1ccc(F)cc1F ZINC000124017799 187118748 /nfs/dbraw/zinc/11/87/48/187118748.db2.gz PVEMXZVPUUGTSO-AAEUAGOBSA-N 0 3 296.361 2.621 10 0 CFAEHN Cc1cnn(CCN[C@@H]2CCc3ccc(C)cc32)c1 ZINC000124119823 187122622 /nfs/dbraw/zinc/12/26/22/187122622.db2.gz QGTFMGOSZQNBLB-MRXNPFEDSA-N 0 3 255.365 2.777 10 0 CFAEHN CC[C@@H](SC)C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000124291679 187130739 /nfs/dbraw/zinc/13/07/39/187130739.db2.gz ZNAFPKKNKHMEPI-UONOGXRCSA-N 0 3 280.437 2.547 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cccn1C(C)C ZINC000123466467 187093864 /nfs/dbraw/zinc/09/38/64/187093864.db2.gz ABTDHKLGFDKJEE-AWEZNQCLSA-N 0 3 277.412 2.625 10 0 CFAEHN CCOC(=O)c1ccc([C@H]2CCOCCN2CC)cc1 ZINC000616598208 352378565 /nfs/dbraw/zinc/37/85/65/352378565.db2.gz IGSXBAUFSSORPO-OAHLLOKOSA-N 0 3 277.364 2.647 10 0 CFAEHN CC(C)(C)N1CCCOC[C@H]1c1ccccc1CO ZINC000616597785 352378715 /nfs/dbraw/zinc/37/87/15/352378715.db2.gz SJQGPHVBUITFCU-HNNXBMFYSA-N 0 3 263.381 2.741 10 0 CFAEHN CC(=O)Nc1ccccc1[C@@H]1CCOCCN1C(C)C ZINC000616597306 352378917 /nfs/dbraw/zinc/37/89/17/352378917.db2.gz CQFPKFFNPCYDLI-INIZCTEOSA-N 0 3 276.380 2.817 10 0 CFAEHN CC(=O)Nc1ccccc1[C@H]1CN(C(C)C)CCCO1 ZINC000616599339 352379387 /nfs/dbraw/zinc/37/93/87/352379387.db2.gz TVTYOOQHYZFQST-MRXNPFEDSA-N 0 3 276.380 2.817 10 0 CFAEHN c1nnoc1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC000616611405 352383951 /nfs/dbraw/zinc/38/39/51/352383951.db2.gz PSNPYFSJNRHTQH-CQSZACIVSA-N 0 3 257.337 2.839 10 0 CFAEHN OCCN1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614197 352384594 /nfs/dbraw/zinc/38/45/94/352384594.db2.gz KPIZHMHWGLNZHC-MRXNPFEDSA-N 0 3 256.349 2.754 10 0 CFAEHN OCCN1CCCCC[C@H]1c1cnnc2ccccc21 ZINC000616629399 352391908 /nfs/dbraw/zinc/39/19/08/352391908.db2.gz IHCDHVSKOOSBSN-INIZCTEOSA-N 0 3 271.364 2.539 10 0 CFAEHN CNc1cccc([C@@H]2c3ccccc3CCN2CCO)c1 ZINC000616679496 352410245 /nfs/dbraw/zinc/41/02/45/352410245.db2.gz VBDGTBFNCJSVEH-GOSISDBHSA-N 0 3 282.387 2.668 10 0 CFAEHN CCC[C@@H](C(=O)NCc1ccc(OCC)c(F)c1)N(C)C ZINC000153108325 188064988 /nfs/dbraw/zinc/06/49/88/188064988.db2.gz UFPQQAFNYRWYFO-AWEZNQCLSA-N 0 3 296.386 2.571 10 0 CFAEHN CCc1ccccc1C(=O)N(C)C[C@@H]1CCCN1CC ZINC000154133662 188125664 /nfs/dbraw/zinc/12/56/64/188125664.db2.gz GFQQNRDNYLZJPH-HNNXBMFYSA-N 0 3 274.408 2.805 10 0 CFAEHN CCc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000154268186 188132294 /nfs/dbraw/zinc/13/22/94/188132294.db2.gz YUGGTJRPMFVGDY-BBRMVZONSA-N 0 3 274.408 2.708 10 0 CFAEHN CC(C)N1C[C@H](NC(=O)[C@@H](C)c2cccs2)[C@@H](C)C1 ZINC000155637363 188218233 /nfs/dbraw/zinc/21/82/33/188218233.db2.gz FMLUEBPUGJDOMG-AVGNSLFASA-N 0 3 280.437 2.697 10 0 CFAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000155455219 188207615 /nfs/dbraw/zinc/20/76/15/188207615.db2.gz AEPCNHOHRABCKN-DYVFJYSZSA-N 0 3 297.402 2.693 10 0 CFAEHN Cc1ccsc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000155491305 188209880 /nfs/dbraw/zinc/20/98/80/188209880.db2.gz NKQZAOGOTWKGMK-RYUDHWBXSA-N 0 3 266.410 2.515 10 0 CFAEHN CN(CCc1nccs1)C[C@@](C)(O)c1ccccc1 ZINC000157884123 188345087 /nfs/dbraw/zinc/34/50/87/188345087.db2.gz REZDFRPTWLIJBH-OAHLLOKOSA-N 0 3 276.405 2.525 10 0 CFAEHN O[C@@H]1CCC[C@@H](NCc2ccsc2Br)C1 ZINC000623373758 353628012 /nfs/dbraw/zinc/62/80/12/353628012.db2.gz KTFJSNVPZMELBN-NXEZZACHSA-N 0 3 290.226 2.904 10 0 CFAEHN Brc1cnccc1CNCC[C@@H]1CCCO1 ZINC000631038667 355259671 /nfs/dbraw/zinc/25/96/71/355259671.db2.gz GETOOGVHMJHWQZ-NSHDSACASA-N 0 3 285.185 2.503 10 0 CFAEHN Cc1cccc(CN[C@H]2CCCC[C@@H]2CO)c1F ZINC000295748646 199646754 /nfs/dbraw/zinc/64/67/54/199646754.db2.gz PJDJSFHYJLJHIG-KGLIPLIRSA-N 0 3 251.345 2.775 10 0 CFAEHN COCc1nc(CNC[C@H]2CCCSC2)cs1 ZINC000673616251 540235829 /nfs/dbraw/zinc/23/58/29/540235829.db2.gz IJGHFLZMZYDNTA-SNVBAGLBSA-N 0 3 272.439 2.522 10 0 CFAEHN CCN1CCC[C@H](N[C@H](C)c2nc(C)sc2C)C1 ZINC000250346914 540339051 /nfs/dbraw/zinc/33/90/51/540339051.db2.gz QPEZATRGWRTYKN-MFKMUULPSA-N 0 3 267.442 2.895 10 0 CFAEHN CC[C@@H]1CN2CCCC[C@H]2CN1Cc1nccs1 ZINC000251653716 540387936 /nfs/dbraw/zinc/38/79/36/540387936.db2.gz GPOKWSWDPYBWSD-OLZOCXBDSA-N 0 3 265.426 2.592 10 0 CFAEHN CSc1ccc(CN2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000294711980 199146706 /nfs/dbraw/zinc/14/67/06/199146706.db2.gz BYCLYEZAPVYZTE-SMDDNHRTSA-N 0 3 251.395 2.754 10 0 CFAEHN C[C@@H]1[C@@H](O)CCCN1Cc1cnc2ccccc2c1 ZINC000294714066 199148189 /nfs/dbraw/zinc/14/81/89/199148189.db2.gz BZVWAPNHJHEDMA-WBMJQRKESA-N 0 3 256.349 2.580 10 0 CFAEHN CCN1CCO[C@@H](CN[C@H](C)c2ccc(C)cc2C)C1 ZINC000252730016 540466446 /nfs/dbraw/zinc/46/64/46/540466446.db2.gz JKUFBMAYVWCUJF-CVEARBPZSA-N 0 3 276.424 2.675 10 0 CFAEHN CCCc1cn2c(n1)[C@@H](CCSC)NCCC2 ZINC000675068053 540664189 /nfs/dbraw/zinc/66/41/89/540664189.db2.gz MFHHPMNFGCVVRG-GFCCVEGCSA-N 0 3 253.415 2.623 10 0 CFAEHN CC[C@@H](C)N=[S@](=O)(c1ccc(N)cc1)N(C)CC ZINC000675076047 540673946 /nfs/dbraw/zinc/67/39/46/540673946.db2.gz SRLCIJUVBAQHMI-ADLMAVQZSA-N 0 3 269.414 2.761 10 0 CFAEHN Cc1coc(C2=C[C@H](N)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000675077974 540675744 /nfs/dbraw/zinc/67/57/44/540675744.db2.gz LKVHMROUZWRVTD-LBPRGKRZSA-N 0 3 278.352 2.549 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(C)n(CC)c1C ZINC000176976587 189017986 /nfs/dbraw/zinc/01/79/86/189017986.db2.gz PCQHFHRDWCRHKC-HNNXBMFYSA-N 0 3 291.439 2.681 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000176983911 189018767 /nfs/dbraw/zinc/01/87/67/189018767.db2.gz ZAIADSDJMFMIEX-XJKSGUPXSA-N 0 3 292.398 2.872 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC000176988061 189019390 /nfs/dbraw/zinc/01/93/90/189019390.db2.gz HNYQZAWOAWZUTQ-KRWDZBQOSA-N 0 3 286.419 2.732 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1ccsc1 ZINC000177028309 189021543 /nfs/dbraw/zinc/02/15/43/189021543.db2.gz QXINJNUQHDSSJM-CQSZACIVSA-N 0 3 280.437 2.623 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC000177035454 189022265 /nfs/dbraw/zinc/02/22/65/189022265.db2.gz QNAITJSOXYXUOK-OAHLLOKOSA-N 0 3 260.381 2.551 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1cccs1 ZINC000177335746 189044260 /nfs/dbraw/zinc/04/42/60/189044260.db2.gz WBCNWZUMNLZGFN-STQMWFEESA-N 0 3 295.452 2.935 10 0 CFAEHN CCC1(CNC(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000177370114 189046435 /nfs/dbraw/zinc/04/64/35/189046435.db2.gz KNHSJCSMTRACGG-HNNXBMFYSA-N 0 3 289.423 2.779 10 0 CFAEHN Cc1nn(C)cc1[C@H](C)N[C@H](C)COCc1ccccc1 ZINC000178064438 189088583 /nfs/dbraw/zinc/08/85/83/189088583.db2.gz ZHSAKAASJZEMFZ-KGLIPLIRSA-N 0 3 287.407 2.984 10 0 CFAEHN C[C@H](N[C@@H]1CCNC1=O)c1ccc(C(C)(C)C)cc1 ZINC000179063485 189166019 /nfs/dbraw/zinc/16/60/19/189166019.db2.gz HWDWUARATQDAEF-SMDDNHRTSA-N 0 3 260.381 2.523 10 0 CFAEHN C[C@@H](NCC1OCCO1)c1ccc2ccccc2c1 ZINC000180234906 189245938 /nfs/dbraw/zinc/24/59/38/189245938.db2.gz IUNSCIBRROGZSX-GFCCVEGCSA-N 0 3 257.333 2.863 10 0 CFAEHN CCCn1nccc1CN[C@@H](C)COCc1ccccc1 ZINC000390543020 540978187 /nfs/dbraw/zinc/97/81/87/540978187.db2.gz SHDCAEUYJOMAPH-HNNXBMFYSA-N 0 3 287.407 2.988 10 0 CFAEHN CCC[C@H](N)C(=O)N[C@@H]1CCCC12CCCCC2 ZINC000313015638 541037422 /nfs/dbraw/zinc/03/74/22/541037422.db2.gz JKOQGABOODWAQC-QWHCGFSZSA-N 0 3 252.402 2.733 10 0 CFAEHN CCC[C@@H]1C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)CCO1 ZINC000248537066 283663500 /nfs/dbraw/zinc/66/35/00/283663500.db2.gz HEEHKXPPNOIVPF-BZUAXINKSA-N 0 3 298.471 2.674 10 0 CFAEHN CCc1cccc(C)c1NC(=O)CN[C@@H](C)[C@H]1CCCO1 ZINC000183217504 189351025 /nfs/dbraw/zinc/35/10/25/189351025.db2.gz YZUYKMZROKGTRP-DZGCQCFKSA-N 0 3 290.407 2.653 10 0 CFAEHN CC[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000184115743 189376337 /nfs/dbraw/zinc/37/63/37/189376337.db2.gz OGCALLWOCKUWPI-HZPDHXFCSA-N 0 3 290.382 2.626 10 0 CFAEHN CC/C=C/CCN1CCCN(c2ccc(C)nn2)CC1 ZINC000184516759 189388216 /nfs/dbraw/zinc/38/82/16/189388216.db2.gz ORPDIKDEELHZFT-SNAWJCMRSA-N 0 3 274.412 2.653 10 0 CFAEHN CN(C)Cc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667721543 541300149 /nfs/dbraw/zinc/30/01/49/541300149.db2.gz MCASVPPSLGWGLI-JKSUJKDBSA-N 0 3 260.381 2.728 10 0 CFAEHN CN(C)Cc1cccc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667721540 541300176 /nfs/dbraw/zinc/30/01/76/541300176.db2.gz MCASVPPSLGWGLI-CVEARBPZSA-N 0 3 260.381 2.728 10 0 CFAEHN C[C@@H](NC(=O)[C@@]1(C)CCCCN1)c1cc(F)ccc1F ZINC000136163534 541287406 /nfs/dbraw/zinc/28/74/06/541287406.db2.gz SMMAMCDIQKQJMF-MEBBXXQBSA-N 0 3 282.334 2.674 10 0 CFAEHN CN[C@H](C)c1ccnc(C(Cl)(Cl)Cl)n1 ZINC000685956027 541466493 /nfs/dbraw/zinc/46/64/93/541466493.db2.gz JTPMODVJSMHGAE-RXMQYKEDSA-N 0 3 254.548 2.584 10 0 CFAEHN CCC[C@](C)(N)C(=O)N[C@@H]1CCO[C@@H](C(CC)CC)C1 ZINC000262159371 284005598 /nfs/dbraw/zinc/00/55/98/284005598.db2.gz ULLHMVIULASDIF-FMKPAKJESA-N 0 3 284.444 2.604 10 0 CFAEHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C)C[C@H]1C ZINC000242687500 284193356 /nfs/dbraw/zinc/19/33/56/284193356.db2.gz UJYWKPOISCOPCC-VXGBXAGGSA-N 0 3 256.390 2.584 10 0 CFAEHN CC[C@@H](C)[C@H](N)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000236993069 189857533 /nfs/dbraw/zinc/85/75/33/189857533.db2.gz YLJIWDPZLOKILE-SKDRFNHKSA-N 0 3 290.392 2.517 10 0 CFAEHN 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2.861 10 0 CFAEHN CC[C@H](N)[C@H](c1ccco1)N(CC)Cc1ccncc1 ZINC000043335839 175011002 /nfs/dbraw/zinc/01/10/02/175011002.db2.gz SEPFQINUDOZTIF-GOEBONIOSA-N 0 3 273.380 2.975 10 0 CFAEHN C[C@@H](N)[C@@H](c1ccco1)N1CCC[C@@H]1c1ccncc1 ZINC000043335113 175011062 /nfs/dbraw/zinc/01/10/62/175011062.db2.gz YEVAVYRYILHDRH-XPKDYRNWSA-N 0 3 271.364 2.900 10 0 CFAEHN C[C@@H](N)[C@@H](c1ccco1)N(C)Cc1ccccc1F ZINC000043334945 175011506 /nfs/dbraw/zinc/01/15/06/175011506.db2.gz NGBFGDKIRYDKET-ABAIWWIYSA-N 0 3 262.328 2.939 10 0 CFAEHN CCN(Cc1ccncc1)[C@@H](c1ccco1)[C@@H](C)N ZINC000043335835 175011512 /nfs/dbraw/zinc/01/15/12/175011512.db2.gz MQTSARUYHLGBIU-IUODEOHRSA-N 0 3 259.353 2.585 10 0 CFAEHN Cc1cc2ncn([C@@H](CN)c3ccco3)c2cc1C ZINC000043336401 175012523 /nfs/dbraw/zinc/01/25/23/175012523.db2.gz KVEOUPFATIIDBO-AWEZNQCLSA-N 0 3 255.321 2.794 10 0 CFAEHN Cc1ncsc1CCO[C@H](c1ccco1)[C@@H](C)N ZINC000043337294 175012643 /nfs/dbraw/zinc/01/26/43/175012643.db2.gz BLXDCNJFBNQYDB-RNCFNFMXSA-N 0 3 266.366 2.692 10 0 CFAEHN NC[C@@H](Oc1ccccc1Br)c1cccnc1 ZINC000043350449 175019769 /nfs/dbraw/zinc/01/97/69/175019769.db2.gz FKPPUYNMSNPGHL-CYBMUJFWSA-N 0 3 293.164 2.923 10 0 CFAEHN NC[C@@H](c1ccncc1)N(Cc1ccsc1)C1CC1 ZINC000043354156 175021708 /nfs/dbraw/zinc/02/17/08/175021708.db2.gz ZUJNDPRFKMAQIA-HNNXBMFYSA-N 0 3 273.405 2.808 10 0 CFAEHN NC[C@H](Oc1ccc2c(c1)CCC2)c1ccncc1 ZINC000043355867 175023705 /nfs/dbraw/zinc/02/37/05/175023705.db2.gz FZPYGEWOKKXXHE-INIZCTEOSA-N 0 3 254.333 2.649 10 0 CFAEHN Cc1ccc([C@@H]([C@@H](C)N)N(C)Cc2ccncc2)o1 ZINC000043364200 175024462 /nfs/dbraw/zinc/02/44/62/175024462.db2.gz CLLLIHNAGUSEHP-IUODEOHRSA-N 0 3 259.353 2.503 10 0 CFAEHN CC(=O)Nc1ccccc1O[C@@H](CN)c1ccc(C)o1 ZINC000043366233 175027344 /nfs/dbraw/zinc/02/73/44/175027344.db2.gz KLBCPGCUKJZRFY-HNNXBMFYSA-N 0 3 274.320 2.625 10 0 CFAEHN COCCc1ccc(Oc2nc(C)ccc2CN)cc1 ZINC000043396388 175036148 /nfs/dbraw/zinc/03/61/48/175036148.db2.gz YVAXWRCPHANTDG-UHFFFAOYSA-N 0 3 272.348 2.830 10 0 CFAEHN Cc1ccc(CN)c(Sc2nc3ccccc3[nH]2)n1 ZINC000043396569 175036319 /nfs/dbraw/zinc/03/63/19/175036319.db2.gz ANENOGZCVBYDNW-UHFFFAOYSA-N 0 3 270.361 2.876 10 0 CFAEHN Cc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccc1N ZINC000043428135 175041215 /nfs/dbraw/zinc/04/12/15/175041215.db2.gz ZCAVWWKSODVYTR-JKSUJKDBSA-N 0 3 260.381 2.721 10 0 CFAEHN CC[C@@H](C)N1C(=O)C[C@@H](NC(C)(C)CC(C)(C)C)C1=O ZINC000043434605 175044573 /nfs/dbraw/zinc/04/45/73/175044573.db2.gz VVYUGLOSWVANOE-VXGBXAGGSA-N 0 3 282.428 2.717 10 0 CFAEHN NCc1cc(Cl)cc(Cl)c1OCCCCO ZINC000043445157 175047805 /nfs/dbraw/zinc/04/78/05/175047805.db2.gz VFNGVIPFWNQXCX-UHFFFAOYSA-N 0 3 264.152 2.603 10 0 CFAEHN CCCNCc1cccc(OC)c1OCC(=O)OC(C)C ZINC000043446027 175048336 /nfs/dbraw/zinc/04/83/36/175048336.db2.gz SCBSYSKVVNDESK-UHFFFAOYSA-N 0 3 295.379 2.525 10 0 CFAEHN CCNCc1c(C)nn(Cc2cc(F)ccc2F)c1C ZINC000043459180 175050543 /nfs/dbraw/zinc/05/05/43/175050543.db2.gz VVKFFAGHRNELOT-UHFFFAOYSA-N 0 3 279.334 2.936 10 0 CFAEHN CCN[C@H]1CC(C)(C)Oc2cc(OCCCO)ccc21 ZINC000043460435 175051001 /nfs/dbraw/zinc/05/10/01/175051001.db2.gz KOPOFUIBWSLOLW-AWEZNQCLSA-N 0 3 279.380 2.660 10 0 CFAEHN CCN[C@@H]1CC(C)(C)Oc2cc(OC[C@@H](C)O)ccc21 ZINC000043460394 175051182 /nfs/dbraw/zinc/05/11/82/175051182.db2.gz CABUMPGGYNTFIV-BXUZGUMPSA-N 0 3 279.380 2.658 10 0 CFAEHN CCC[C@@H](N)c1nc2cc(Br)cnc2[nH]1 ZINC000043460920 175051522 /nfs/dbraw/zinc/05/15/22/175051522.db2.gz KBMGDNZQVOHIEX-SSDOTTSWSA-N 0 3 269.146 2.520 10 0 CFAEHN CCC[C@@H]([NH3+])c1nc2cc(Br)cnc2[n-]1 ZINC000043460920 175051523 /nfs/dbraw/zinc/05/15/23/175051523.db2.gz KBMGDNZQVOHIEX-SSDOTTSWSA-N 0 3 269.146 2.520 10 0 CFAEHN CCCN[C@@H](c1cnn(C)c1)c1cccc(OCC)c1 ZINC000043462193 175051916 /nfs/dbraw/zinc/05/19/16/175051916.db2.gz OZHKVGGTYPKWIF-MRXNPFEDSA-N 0 3 273.380 2.908 10 0 CFAEHN CCCn1cc([C@](C)(N)c2ccccc2OC)cn1 ZINC000043467921 175053397 /nfs/dbraw/zinc/05/33/97/175053397.db2.gz RUBMFADBSRKTCP-HNNXBMFYSA-N 0 3 259.353 2.524 10 0 CFAEHN Cc1cccc(=O)n1C[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000043513033 175060859 /nfs/dbraw/zinc/06/08/59/175060859.db2.gz UWLRRGUELPYTNV-CYBMUJFWSA-N 0 3 296.292 2.876 10 0 CFAEHN COCCCOC[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000043513096 175061231 /nfs/dbraw/zinc/06/12/31/175061231.db2.gz BPHHRAJSPRZTQS-LBPRGKRZSA-N 0 3 277.286 2.758 10 0 CFAEHN CC(C)CN(CCN(C)C)C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000043531476 175062319 /nfs/dbraw/zinc/06/23/19/175062319.db2.gz VWTJWMVRLNPPBP-RRFJBIMHSA-N 0 3 297.512 2.569 10 0 CFAEHN CC(C)CN(CCN(C)C)C(=S)N[C@@H]1CCCC[C@@H]1C ZINC000043531491 175062362 /nfs/dbraw/zinc/06/23/62/175062362.db2.gz RFWITYCMEAYBTP-LSDHHAIUSA-N 0 3 299.528 2.959 10 0 CFAEHN CN(Cc1ccoc1)C[C@@H]1NCCc2ccccc21 ZINC000043596186 175076427 /nfs/dbraw/zinc/07/64/27/175076427.db2.gz ANXFBGPYCAORIJ-INIZCTEOSA-N 0 3 256.349 2.598 10 0 CFAEHN Cc1ccc(CN(C)C[C@H]2NCCc3ccccc32)o1 ZINC000043596046 175076805 /nfs/dbraw/zinc/07/68/05/175076805.db2.gz UKTFEEVAPPIENI-QGZVFWFLSA-N 0 3 270.376 2.907 10 0 CFAEHN CN[C@@H](c1cc(C)oc1C)[C@H]1COc2ccccc2O1 ZINC000043611772 175079230 /nfs/dbraw/zinc/07/92/30/175079230.db2.gz GQPDSAYPYOIXRR-CVEARBPZSA-N 0 3 273.332 2.997 10 0 CFAEHN CCOC(=O)[C@@H](C)CN(C)[C@@H](C)c1cccs1 ZINC000043615495 175079595 /nfs/dbraw/zinc/07/95/95/175079595.db2.gz IHGPTTDCQQLYNU-QWRGUYRKSA-N 0 3 255.383 2.940 10 0 CFAEHN CCOC(=O)C[C@@H](C)N[C@@H](C)c1ccc(F)cc1 ZINC000043621634 175080451 /nfs/dbraw/zinc/08/04/51/175080451.db2.gz XXBCWODVHRNEGO-MNOVXSKESA-N 0 3 253.317 2.818 10 0 CFAEHN C[C@H]1Oc2c(cc(Br)cc2Cl)[C@@H]1N ZINC000043641739 175084533 /nfs/dbraw/zinc/08/45/33/175084533.db2.gz AOUIHSYHCIMVOR-SPGJFGJESA-N 0 3 262.534 2.883 10 0 CFAEHN C[C@@H]1Oc2c(cc(Br)cc2Cl)[C@H]1N ZINC000043641737 175084623 /nfs/dbraw/zinc/08/46/23/175084623.db2.gz AOUIHSYHCIMVOR-NVNXEXLPSA-N 0 3 262.534 2.883 10 0 CFAEHN Cc1cc(N)n(C2CCN(Cc3ccccc3)CC2)n1 ZINC000043664116 175086220 /nfs/dbraw/zinc/08/62/20/175086220.db2.gz NQZUTBRYKMGADJ-UHFFFAOYSA-N 0 3 270.380 2.611 10 0 CFAEHN CN[C@@H](CN1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000043804639 175107567 /nfs/dbraw/zinc/10/75/67/175107567.db2.gz RXYXMVAVKJZWDX-NFAWXSAZSA-N 0 3 290.407 2.654 10 0 CFAEHN CN[C@@H](CN1CCCC[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000043809846 175109564 /nfs/dbraw/zinc/10/95/64/175109564.db2.gz IMUGXZSDBPGPDB-ZFWWWQNUSA-N 0 3 290.407 2.593 10 0 CFAEHN CCCN[C@H]1c2ccccc2OC[C@H]1N(CC)CC ZINC000043809691 175109769 /nfs/dbraw/zinc/10/97/69/175109769.db2.gz WWKSVEHVXCUPRK-ZBFHGGJFSA-N 0 3 262.397 2.830 10 0 CFAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(C)C1CCCC1 ZINC000043884076 175116618 /nfs/dbraw/zinc/11/66/18/175116618.db2.gz DVWDVKPGFBRWKA-NVXWUHKLSA-N 0 3 274.408 2.973 10 0 CFAEHN CCCN(C)C[C@H](NCC)c1cc(C)ccc1OC ZINC000043886159 175116740 /nfs/dbraw/zinc/11/67/40/175116740.db2.gz UJLBZYDBODIDQM-HNNXBMFYSA-N 0 3 264.413 2.996 10 0 CFAEHN CCN[C@H](CN1CCC[C@@H]1C)c1ccccc1OC ZINC000043903010 175122933 /nfs/dbraw/zinc/12/29/33/175122933.db2.gz WKKAYHKTVRKQGA-DZGCQCFKSA-N 0 3 262.397 2.830 10 0 CFAEHN CCC1CCN([C@@H]2COc3ccccc3[C@@H]2NC)CC1 ZINC000043913270 175124527 /nfs/dbraw/zinc/12/45/27/175124527.db2.gz YSYGCZUHAMBEGZ-WBVHZDCISA-N 0 3 274.408 2.830 10 0 CFAEHN CCCN(CC1CC1)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043967399 175128319 /nfs/dbraw/zinc/12/83/19/175128319.db2.gz CGMDDYGEEGXHAH-WBVHZDCISA-N 0 3 274.408 2.830 10 0 CFAEHN CCCN[C@H](CN(C)[C@@H](C)COC)c1ccccc1OC ZINC000043969431 175130563 /nfs/dbraw/zinc/13/05/63/175130563.db2.gz RLNWGSBCDIHLLY-GOEBONIOSA-N 0 3 294.439 2.703 10 0 CFAEHN CN[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000043986522 175134940 /nfs/dbraw/zinc/13/49/40/175134940.db2.gz KDZVAEGHHZBQEL-GFCCVEGCSA-N 0 3 286.297 2.588 10 0 CFAEHN CN[C@H](Cn1ccccc1=O)c1c(C)cc(C)cc1C ZINC000043987864 175135060 /nfs/dbraw/zinc/13/50/60/175135060.db2.gz CISGATWIPBTNME-OAHLLOKOSA-N 0 3 270.376 2.734 10 0 CFAEHN CN[C@@H](Cn1cccn1)c1ccc(OC(C)C)cc1 ZINC000043989955 175135316 /nfs/dbraw/zinc/13/53/16/175135316.db2.gz LKEGAIYBNKZMHJ-HNNXBMFYSA-N 0 3 259.353 2.631 10 0 CFAEHN CCN[C@@H](Cn1ccnc1)c1ccccc1OCC ZINC000043993040 175135829 /nfs/dbraw/zinc/13/58/29/175135829.db2.gz JPMRAZLXEHQHAZ-AWEZNQCLSA-N 0 3 259.353 2.633 10 0 CFAEHN CN[C@H]1c2ccc(OC)cc2CC[C@H]1n1nc(C)cc1C ZINC000043994867 175136272 /nfs/dbraw/zinc/13/62/72/175136272.db2.gz IWZSYTDNFNGSCR-SJORKVTESA-N 0 3 285.391 2.957 10 0 CFAEHN CCN[C@@H](Cn1ccnc1C)c1ccccc1OCC ZINC000043994310 175136320 /nfs/dbraw/zinc/13/63/20/175136320.db2.gz WLKSKCPOQPSJBV-HNNXBMFYSA-N 0 3 273.380 2.941 10 0 CFAEHN CN[C@H]1c2ccc(OC)cc2CC[C@@H]1n1nc(C)cc1C ZINC000043994869 175136418 /nfs/dbraw/zinc/13/64/18/175136418.db2.gz IWZSYTDNFNGSCR-IRXDYDNUSA-N 0 3 285.391 2.957 10 0 CFAEHN CN[C@H](Cn1ccnc1C)c1cc2ccccc2o1 ZINC000043994041 175136585 /nfs/dbraw/zinc/13/65/85/175136585.db2.gz SBUCKTMYOIERER-CYBMUJFWSA-N 0 3 255.321 2.898 10 0 CFAEHN CCN[C@@H](CN1C(=O)CCC1=O)c1ccc(C(C)C)cc1 ZINC000043993364 175136708 /nfs/dbraw/zinc/13/67/08/175136708.db2.gz SIZUXVUHHMSKRF-HNNXBMFYSA-N 0 3 288.391 2.610 10 0 CFAEHN CN[C@H](CN1CCOC1=O)c1ccc(C(C)C)cc1 ZINC000043998261 175137299 /nfs/dbraw/zinc/13/72/99/175137299.db2.gz MRZCRMYOHZTZAD-CQSZACIVSA-N 0 3 262.353 2.523 10 0 CFAEHN CCN[C@@H](CN1CCCCC1=O)c1ccc(C)cc1C ZINC000043998799 175137821 /nfs/dbraw/zinc/13/78/21/175137821.db2.gz WVOQYTVUNGDLPK-INIZCTEOSA-N 0 3 274.408 2.967 10 0 CFAEHN CN[C@@H](c1ccc(OC)cc1)[C@@H](C)n1cc(C)cn1 ZINC000044000192 175138059 /nfs/dbraw/zinc/13/80/59/175138059.db2.gz ZGLRZFRWHDLCPR-IUODEOHRSA-N 0 3 259.353 2.722 10 0 CFAEHN CN[C@H](c1ccc(OC)cc1)[C@@H](C)n1cc(C)cn1 ZINC000044000189 175138112 /nfs/dbraw/zinc/13/81/12/175138112.db2.gz ZGLRZFRWHDLCPR-DOMZBBRYSA-N 0 3 259.353 2.722 10 0 CFAEHN CC[C@H]([C@@H](NC)c1ccccc1)n1nc(C)nc1C ZINC000044034874 175139074 /nfs/dbraw/zinc/13/90/74/175139074.db2.gz HYFJNIKMHXKVPK-CABCVRRESA-N 0 3 258.369 2.807 10 0 CFAEHN CCN[C@@H](c1ccc(OC)cc1)[C@H](C)n1nc(C)nc1C ZINC000044035327 175139150 /nfs/dbraw/zinc/13/91/50/175139150.db2.gz YHNNJNIQXHMADB-MEDUHNTESA-N 0 3 288.395 2.815 10 0 CFAEHN CCCN[C@@H](Cn1nc(C)nc1C)c1ccccc1C ZINC000044034834 175139160 /nfs/dbraw/zinc/13/91/60/175139160.db2.gz ALQNEXZQSNWKOL-INIZCTEOSA-N 0 3 272.396 2.944 10 0 CFAEHN CCN[C@@H](c1ccccc1)[C@@H](C)n1nc(C)nc1C ZINC000044035067 175139398 /nfs/dbraw/zinc/13/93/98/175139398.db2.gz VDEQVUCBHGYRFS-IAQYHMDHSA-N 0 3 258.369 2.807 10 0 CFAEHN CN[C@H](Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000044038043 175139673 /nfs/dbraw/zinc/13/96/73/175139673.db2.gz HUJGRPUZDLMOBQ-LLVKDONJSA-N 0 3 269.270 2.863 10 0 CFAEHN CCOc1ccc([C@@H](COCC(F)(F)F)NC)cc1 ZINC000044042128 175139925 /nfs/dbraw/zinc/13/99/25/175139925.db2.gz LOMBBFVTYVRJHV-GFCCVEGCSA-N 0 3 277.286 2.925 10 0 CFAEHN CN[C@@H](COCC(F)(F)F)c1cccc(OC)c1 ZINC000044042042 175139948 /nfs/dbraw/zinc/13/99/48/175139948.db2.gz OENPNJLXZYNQGA-NSHDSACASA-N 0 3 263.259 2.535 10 0 CFAEHN CN[C@@H](Cn1ccc(C(F)(F)F)n1)c1ccccc1 ZINC000044038039 175139953 /nfs/dbraw/zinc/13/99/53/175139953.db2.gz HUJGRPUZDLMOBQ-NSHDSACASA-N 0 3 269.270 2.863 10 0 CFAEHN 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CFAEHN Cc1c[nH]nc1CN[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000289795153 381162541 /nfs/dbraw/zinc/16/25/41/381162541.db2.gz HWEPSKSKZRTMSK-NXEZZACHSA-N 0 3 261.291 2.929 10 0 CFAEHN Cc1ccc2c(CN[C@H](C)[C@@H]3CCCO3)cc(=O)oc2c1 ZINC000183180008 381229265 /nfs/dbraw/zinc/22/92/65/381229265.db2.gz MIAQFSKQKRNMOW-DOMZBBRYSA-N 0 3 287.359 2.759 10 0 CFAEHN C[C@H]1[C@H](O)CCCN1Cc1cc(-c2ccccc2)no1 ZINC000296076118 381243485 /nfs/dbraw/zinc/24/34/85/381243485.db2.gz GSYUQHHHRBGKOU-BLLLJJGKSA-N 0 3 272.348 2.687 10 0 CFAEHN Cc1cncc([C@@H](C)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000184401424 381411165 /nfs/dbraw/zinc/41/11/65/381411165.db2.gz XFEBHNGGBHZNPP-UKRRQHHQSA-N 0 3 299.422 2.771 10 0 CFAEHN CC(C)OC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000296408953 381381351 /nfs/dbraw/zinc/38/13/51/381381351.db2.gz UHCQMXPRXDTWGO-HIFRSBDPSA-N 0 3 276.380 2.784 10 0 CFAEHN CCC[C@H](C(=O)NCC1(CCOC)CCCCC1)N(C)C ZINC000185404254 381624996 /nfs/dbraw/zinc/62/49/96/381624996.db2.gz MVHBQOQAFSYRPC-OAHLLOKOSA-N 0 3 298.471 2.820 10 0 CFAEHN CCO[C@H]1C[C@H](NCc2ccc(CC)o2)C12CCOCC2 ZINC000185656263 381696198 /nfs/dbraw/zinc/69/61/98/381696198.db2.gz HZVGXCPNMNSAER-HOTGVXAUSA-N 0 3 293.407 2.906 10 0 CFAEHN CCSc1cccc(CN2CCO[C@@H](CN(C)C)C2)c1 ZINC000186152213 381836293 /nfs/dbraw/zinc/83/62/93/381836293.db2.gz OIEBMIVAOQEEBE-HNNXBMFYSA-N 0 3 294.464 2.561 10 0 CFAEHN CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c([O-])c1 ZINC000188222521 382370243 /nfs/dbraw/zinc/37/02/43/382370243.db2.gz XCYOGXGPZGGPGF-AWEZNQCLSA-N 0 3 290.407 2.511 10 0 CFAEHN CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c([O-])c1 ZINC000188222521 382370248 /nfs/dbraw/zinc/37/02/48/382370248.db2.gz XCYOGXGPZGGPGF-AWEZNQCLSA-N 0 3 290.407 2.511 10 0 CFAEHN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CN(C)C)c1 ZINC000188530466 382430587 /nfs/dbraw/zinc/43/05/87/382430587.db2.gz UXBCTSSJKYTHEW-SWLSCSKDSA-N 0 3 276.380 2.502 10 0 CFAEHN C[C@@H]1CN[C@@]2(CCN(Cc3ccccc3)[C@@H]2C)S1 ZINC000306323152 382455324 /nfs/dbraw/zinc/45/53/24/382455324.db2.gz LZDDMTOVGOSIBS-NFAWXSAZSA-N 0 3 262.422 2.702 10 0 CFAEHN COC(=O)c1cccc(CN[C@H](C)[C@H]2CCCO2)c1Cl ZINC000294210810 382460773 /nfs/dbraw/zinc/46/07/73/382460773.db2.gz MONUAQCUNILFFF-ZWNOBZJWSA-N 0 3 297.782 2.784 10 0 CFAEHN Cc1cc(CN2CCN3CCCC[C@@H]3C2)cs1 ZINC000294239907 382473090 /nfs/dbraw/zinc/47/30/90/382473090.db2.gz PCNHGCXDSUFBBT-CQSZACIVSA-N 0 3 250.411 2.727 10 0 CFAEHN FC(F)(F)c1cn2c(n1)CC[C@H](CNCc1ccco1)C2 ZINC000328621645 382556137 /nfs/dbraw/zinc/55/61/37/382556137.db2.gz AOZCPNGKHACMBW-SNVBAGLBSA-N 0 3 299.296 2.847 10 0 CFAEHN COCc1nc2n(n1)CCC[C@H]2N[C@H]1CCC12CCCC2 ZINC000189155619 382556240 /nfs/dbraw/zinc/55/62/40/382556240.db2.gz VRVWZYMIVCTNCE-OLZOCXBDSA-N 0 3 290.411 2.572 10 0 CFAEHN COCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC12CCCC2 ZINC000189155556 382557086 /nfs/dbraw/zinc/55/70/86/382557086.db2.gz VRVWZYMIVCTNCE-QWHCGFSZSA-N 0 3 290.411 2.572 10 0 CFAEHN CN(Cc1ccco1)c1nc2c(cc1CN)CCCC2 ZINC000043409667 184558925 /nfs/dbraw/zinc/55/89/25/184558925.db2.gz JOOZFUZEDYLIRW-UHFFFAOYSA-N 0 3 271.364 2.649 10 0 CFAEHN CC[C@H]1CN2CCCC[C@@H]2CN1CCOC1CCC1 ZINC000367790223 382586213 /nfs/dbraw/zinc/58/62/13/382586213.db2.gz FMBHYZDETNHXCX-LSDHHAIUSA-N 0 3 266.429 2.504 10 0 CFAEHN CCN1CC[C@H](N[C@@H](C)c2cccc(F)c2F)C1 ZINC000389168171 382611860 /nfs/dbraw/zinc/61/18/60/382611860.db2.gz NAXCDXXCPOZHBU-QWRGUYRKSA-N 0 3 254.324 2.710 10 0 CFAEHN CCN1CC[C@@H](NCc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000389535534 382615715 /nfs/dbraw/zinc/61/57/15/382615715.db2.gz JDLMEENYLYCQMY-GFCCVEGCSA-N 0 3 298.814 2.541 10 0 CFAEHN C[C@H]1CCCC[C@H]1CNCc1cn(C(C)(C)C)nn1 ZINC000189952370 382646758 /nfs/dbraw/zinc/64/67/58/382646758.db2.gz KDDBLVZHHRPWFW-STQMWFEESA-N 0 3 264.417 2.949 10 0 CFAEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2ccco2)C1 ZINC000190490762 382670793 /nfs/dbraw/zinc/67/07/93/382670793.db2.gz FMUATFILYYKAEL-INIZCTEOSA-N 0 3 285.391 2.629 10 0 CFAEHN O[C@H](CC1CCCC1)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000190872296 382683166 /nfs/dbraw/zinc/68/31/66/382683166.db2.gz ISYGFGBSIJIPKQ-CVEARBPZSA-N 0 3 277.412 2.878 10 0 CFAEHN Cn1nccc1C1CCN(Cc2cccc(O)c2)CC1 ZINC000092810525 184628032 /nfs/dbraw/zinc/62/80/32/184628032.db2.gz IUJOJANAXAELBB-UHFFFAOYSA-N 0 3 271.364 2.505 10 0 CFAEHN CCCCOC[C@@H](O)CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000193358769 382719055 /nfs/dbraw/zinc/71/90/55/382719055.db2.gz HPZSTCUUACXRLR-OCCSQVGLSA-N 0 3 299.386 2.663 10 0 CFAEHN CCCCOC[C@H](O)CN[C@H](C)c1ccc(F)cc1F ZINC000193357707 382719073 /nfs/dbraw/zinc/71/90/73/382719073.db2.gz QRHFMHUGTYQBNH-DGCLKSJQSA-N 0 3 287.350 2.793 10 0 CFAEHN CCCCOC[C@@H](O)CN[C@H](C)c1ccc(F)cc1F ZINC000193357721 382719095 /nfs/dbraw/zinc/71/90/95/382719095.db2.gz QRHFMHUGTYQBNH-YPMHNXCESA-N 0 3 287.350 2.793 10 0 CFAEHN COc1ccc(Br)cc1[C@@H](N)CCF ZINC000575440487 382771830 /nfs/dbraw/zinc/77/18/30/382771830.db2.gz YHDARXRKALNELF-VIFPVBQESA-N 0 3 262.122 2.817 10 0 CFAEHN C/C=C/[C@@H](N)c1cccc(I)c1 ZINC000575568553 382773699 /nfs/dbraw/zinc/77/36/99/382773699.db2.gz RWILEVUTHDBRMR-XCRNYIDWSA-N 0 3 273.117 2.867 10 0 CFAEHN C[C@H]1Oc2c(c(Cl)ccc2Br)[C@H]1N ZINC000575560906 382773744 /nfs/dbraw/zinc/77/37/44/382773744.db2.gz WXOFJRASICYAFJ-VHWMUFPASA-N 0 3 262.534 2.883 10 0 CFAEHN Cc1nn(-c2ccc(C(F)(F)F)cc2)cc1CN ZINC000215304353 382777948 /nfs/dbraw/zinc/77/79/48/382777948.db2.gz CBROOARIADYULC-UHFFFAOYSA-N 0 3 255.243 2.658 10 0 CFAEHN Cc1nc2n(n1)CCC[C@H]2NC[C@H](C)c1ccccc1 ZINC000194502827 382746137 /nfs/dbraw/zinc/74/61/37/382746137.db2.gz KVCUZAUUHHDXSR-SWLSCSKDSA-N 0 3 270.380 2.815 10 0 CFAEHN CCC[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)N(C)C ZINC000194979426 382759182 /nfs/dbraw/zinc/75/91/82/382759182.db2.gz IDDMMRTWWLQOGC-ZNMIVQPWSA-N 0 3 278.371 2.528 10 0 CFAEHN CCc1nnc(CN2CCC[C@@H]2C2CCCCC2)n1C ZINC000195092541 382761682 /nfs/dbraw/zinc/76/16/82/382761682.db2.gz MABYSTWVXLZRLJ-CQSZACIVSA-N 0 3 276.428 2.922 10 0 CFAEHN COC[C@H](CCO)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000223966381 382808408 /nfs/dbraw/zinc/80/84/08/382808408.db2.gz ZCBNYLBAHBLVLA-WWGRRREGSA-N 0 3 263.381 2.612 10 0 CFAEHN COc1c(CNCCc2ccc(Cl)s2)c(C)nn1C ZINC000226327527 382826606 /nfs/dbraw/zinc/82/66/06/382826606.db2.gz TYTRXYVJJZWRGS-UHFFFAOYSA-N 0 3 299.827 2.784 10 0 CFAEHN CCCCOC[C@H](O)CN[C@H](C)c1ccccc1OC ZINC000227894848 382842150 /nfs/dbraw/zinc/84/21/50/382842150.db2.gz HWASQCIILVZHBG-ZIAGYGMSSA-N 0 3 281.396 2.523 10 0 CFAEHN CCC[C@@H]1C[C@H]1NCc1cc(OC)c2c(c1)OCCO2 ZINC000231673657 382866415 /nfs/dbraw/zinc/86/64/15/382866415.db2.gz ZEIIBMGXBHQKPC-CHWSQXEVSA-N 0 3 277.364 2.745 10 0 CFAEHN CCC[C@@H](N)C(=O)N[C@@H](C)CCC1CCCCC1 ZINC000236979190 382940302 /nfs/dbraw/zinc/94/03/02/382940302.db2.gz NGGTUPMRZIAAKI-GXTWGEPZSA-N 0 3 254.418 2.979 10 0 CFAEHN CCC[C@@H](N)C(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000236992006 382941155 /nfs/dbraw/zinc/94/11/55/382941155.db2.gz ZKZTXEJXINEQJQ-HUUCEWRRSA-N 0 3 278.396 2.636 10 0 CFAEHN CCC[C@@H](N)C(=O)NCC(CC)(CC)c1ccccc1 ZINC000236938912 382934194 /nfs/dbraw/zinc/93/41/94/382934194.db2.gz HDJWDINSWGFYJG-OAHLLOKOSA-N 0 3 276.424 2.988 10 0 CFAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(F)cc1F ZINC000246950154 383124544 /nfs/dbraw/zinc/12/45/44/383124544.db2.gz LQWSETBXBFNFTQ-STQMWFEESA-N 0 3 294.345 2.664 10 0 CFAEHN c1csc(-c2nc(CN3CCN4CCC[C@H]4C3)co2)c1 ZINC000246995249 383129619 /nfs/dbraw/zinc/12/96/19/383129619.db2.gz BEZWTVJCBSHKMY-ZDUSSCGKSA-N 0 3 289.404 2.683 10 0 CFAEHN COc1cccc([C@H](C)N2CCN3CCCC[C@H]3C2)c1 ZINC000247029909 383134848 /nfs/dbraw/zinc/13/48/48/383134848.db2.gz MTOSLVQMVJOPQL-HOCLYGCPSA-N 0 3 274.408 2.926 10 0 CFAEHN Cc1cc(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)sc1C ZINC000247044917 383135677 /nfs/dbraw/zinc/13/56/77/383135677.db2.gz IDCNJYFNXXDRKF-YPMHNXCESA-N 0 3 280.437 2.823 10 0 CFAEHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)[C@H](C)CC ZINC000247079880 383140530 /nfs/dbraw/zinc/14/05/30/383140530.db2.gz NMSVWLNYNQTVRC-WOPDTQHZSA-N 0 3 250.390 2.700 10 0 CFAEHN COCCN1CCN([C@@H](C)c2cccc(C)c2)C[C@H]1C ZINC000173678416 532971364 /nfs/dbraw/zinc/97/13/64/532971364.db2.gz XGZTXSUUFUGHNV-CVEARBPZSA-N 0 3 276.424 2.709 10 0 CFAEHN C[C@H](C(=O)N1C[C@@H]2CCCN2C[C@H]1C)c1ccccc1F ZINC000246763055 383101226 /nfs/dbraw/zinc/10/12/26/383101226.db2.gz AQCLQJWBTRZWOZ-RDBSUJKOSA-N 0 3 290.382 2.624 10 0 CFAEHN c1ccc(SCCN2CCN3CCC[C@H]3C2)cc1 ZINC000246792407 383105135 /nfs/dbraw/zinc/10/51/35/383105135.db2.gz XVVJFNHQJOKXEZ-AWEZNQCLSA-N 0 3 262.422 2.559 10 0 CFAEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccc(SC)o1 ZINC000246831448 383109694 /nfs/dbraw/zinc/10/96/94/383109694.db2.gz ARZDTJALAVTNDD-NEPJUHHUSA-N 0 3 294.420 2.700 10 0 CFAEHN CCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000246844113 383111137 /nfs/dbraw/zinc/11/11/37/383111137.db2.gz DOYUJFVGBDVZIJ-KGLIPLIRSA-N 0 3 291.395 2.610 10 0 CFAEHN Cc1ccccc1[C@@H](C)NC(=O)N1CCN2CCC[C@H]2C1 ZINC000247647506 383188732 /nfs/dbraw/zinc/18/87/32/383188732.db2.gz VPAJIEBFCLIZKJ-CABCVRRESA-N 0 3 287.407 2.546 10 0 CFAEHN CC[C@@H]1CN([C@H](C)c2ccccc2)CCN1C[C@@H](C)O ZINC000247767930 383195171 /nfs/dbraw/zinc/19/51/71/383195171.db2.gz OINRCXCTNVWONR-BFYDXBDKSA-N 0 3 276.424 2.525 10 0 CFAEHN CC[C@@H]1CN(Cc2ccc(Cl)cc2)CCN1C[C@H](C)O ZINC000247877078 383197821 /nfs/dbraw/zinc/19/78/21/383197821.db2.gz YUPDVGTUYFEKMW-XJKSGUPXSA-N 0 3 296.842 2.617 10 0 CFAEHN CC[C@@H](c1ccc(F)cc1)N1CCO[C@@H](CN(C)C)C1 ZINC000247214372 383152735 /nfs/dbraw/zinc/15/27/35/383152735.db2.gz XFWIXOYZKFRAGV-HOTGVXAUSA-N 0 3 280.387 2.539 10 0 CFAEHN C[C@H](c1ccccc1)N1CCC[C@@H](n2cncn2)C1 ZINC000247226838 383153859 /nfs/dbraw/zinc/15/38/59/383153859.db2.gz QWYCKYJHADPHPI-UKRRQHHQSA-N 0 3 256.353 2.676 10 0 CFAEHN C[C@H]1C[C@H](C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C[C@@H](C)C1 ZINC000248527528 383253444 /nfs/dbraw/zinc/25/34/44/383253444.db2.gz DDWMSWNKKCDWCN-LEOABGAYSA-N 0 3 278.440 2.754 10 0 CFAEHN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1CCCN(CC)C1 ZINC000248651767 383278567 /nfs/dbraw/zinc/27/85/67/383278567.db2.gz SWTSVNIPUANYFK-OWCLPIDISA-N 0 3 296.455 2.572 10 0 CFAEHN FC(F)Oc1cccc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000248367339 383228266 /nfs/dbraw/zinc/22/82/66/383228266.db2.gz 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/nfs/dbraw/zinc/10/76/34/175107634.db2.gz QOZZSHIPICIRNA-LZWOXQAQSA-N 0 3 276.424 2.934 10 0 CFAEHN CCCN[C@H]1c2ccccc2OC[C@@H]1N1CCCCC1 ZINC000043814553 175111677 /nfs/dbraw/zinc/11/16/77/175111677.db2.gz BNILWCCKNNELQV-RDJZCZTQSA-N 0 3 274.408 2.974 10 0 CFAEHN CCCN[C@H](CN(C)CC)c1cc(OC)ccc1OC ZINC000043820939 175113937 /nfs/dbraw/zinc/11/39/37/175113937.db2.gz DKOARNSWDJRRPR-OAHLLOKOSA-N 0 3 280.412 2.696 10 0 CFAEHN CCCN[C@H]1c2ccccc2OC[C@@H]1N(CC)C1CC1 ZINC000043822344 175114520 /nfs/dbraw/zinc/11/45/20/175114520.db2.gz BLJQLTWSLNZNOI-RDJZCZTQSA-N 0 3 274.408 2.973 10 0 CFAEHN CC[C@@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043883346 175116125 /nfs/dbraw/zinc/11/61/25/175116125.db2.gz YGTHGLXFPXFFEQ-UNEWFSDZSA-N 0 3 274.408 2.973 10 0 CFAEHN CCCN(CC)[C@H]1COc2ccccc2[C@@H]1NCC ZINC000043884672 175116875 /nfs/dbraw/zinc/11/68/75/175116875.db2.gz DXXGQFKIHJFLIY-HOCLYGCPSA-N 0 3 262.397 2.830 10 0 CFAEHN CCC[C@@H](C)N(C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043896371 175119102 /nfs/dbraw/zinc/11/91/02/175119102.db2.gz ZDLPDTQPRNKOJF-XPKDYRNWSA-N 0 3 262.397 2.829 10 0 CFAEHN CN[C@@H](CN(C)CCC(C)C)c1cc(OC)ccc1OC ZINC000043914524 175124304 /nfs/dbraw/zinc/12/43/04/175124304.db2.gz YGHRLCDDAFMUEG-INIZCTEOSA-N 0 3 294.439 2.942 10 0 CFAEHN CCN[C@H](CN(C)CCOC)c1cc2ccccc2o1 ZINC000043916055 175124998 /nfs/dbraw/zinc/12/49/98/175124998.db2.gz KDQLOPLOQLOUCY-CQSZACIVSA-N 0 3 276.380 2.662 10 0 CFAEHN CCN[C@H](CN(CC)CCOC)c1cc(C)ccc1OC ZINC000043968680 175129604 /nfs/dbraw/zinc/12/96/04/175129604.db2.gz ZCZVAEGJFRDNHM-MRXNPFEDSA-N 0 3 294.439 2.623 10 0 CFAEHN CCN(C[C@@H](NC)c1ccccc1OC)CC(F)(F)F ZINC000043979620 175133283 /nfs/dbraw/zinc/13/32/83/175133283.db2.gz GELGKZDFGSFKSY-GFCCVEGCSA-N 0 3 290.329 2.840 10 0 CFAEHN CCCN[C@H](CN1CCCC1=O)c1ccc(C)cc1 ZINC000043986140 175134582 /nfs/dbraw/zinc/13/45/82/175134582.db2.gz MYIDSJINQCPFGV-OAHLLOKOSA-N 0 3 260.381 2.658 10 0 CFAEHN CCN[C@@H](Cn1ccccc1=O)c1cc(C)ccc1C ZINC000043987699 175135140 /nfs/dbraw/zinc/13/51/40/175135140.db2.gz HSFGVYVULAFYEH-INIZCTEOSA-N 0 3 270.376 2.816 10 0 CFAEHN CCN[C@H](Cn1ccccc1=O)c1ccccc1C ZINC000043987679 175135436 /nfs/dbraw/zinc/13/54/36/175135436.db2.gz CTEQYKPKHQEFOO-OAHLLOKOSA-N 0 3 256.349 2.508 10 0 CFAEHN CCN[C@H](Cn1cncn1)c1ccc(CC(C)C)cc1 ZINC000043991641 175135818 /nfs/dbraw/zinc/13/58/18/175135818.db2.gz FJYLCRLNFFBHEA-MRXNPFEDSA-N 0 3 272.396 2.827 10 0 CFAEHN CCCN[C@H]1c2ccc(OC)cc2CC[C@H]1n1cncn1 ZINC000043990317 175135841 /nfs/dbraw/zinc/13/58/41/175135841.db2.gz UGOIAVLOUIUOLS-CVEARBPZSA-N 0 3 286.379 2.515 10 0 CFAEHN CCCN[C@@H](Cn1cncn1)c1ccc(OCCC)cc1 ZINC000043990141 175135880 /nfs/dbraw/zinc/13/58/80/175135880.db2.gz GBEPZUZHEIAVIP-INIZCTEOSA-N 0 3 288.395 2.808 10 0 CFAEHN CCCN[C@@H](Cn1cncn1)c1ccc(CC)cc1 ZINC000043990254 175136010 /nfs/dbraw/zinc/13/60/10/175136010.db2.gz BZWUBLNXFNMXIR-HNNXBMFYSA-N 0 3 258.369 2.581 10 0 CFAEHN CN[C@@H]1c2ccccc2CC[C@H]1n1nc(C)cc1C ZINC000043994878 175136146 /nfs/dbraw/zinc/13/61/46/175136146.db2.gz QFLZVDGMSASZBJ-HZPDHXFCSA-N 0 3 255.365 2.948 10 0 CFAEHN CCOc1ccccc1[C@H](Cn1nc(C)cc1C)NC ZINC000043995243 175136284 /nfs/dbraw/zinc/13/62/84/175136284.db2.gz DONPNQCMPPWPHV-HNNXBMFYSA-N 0 3 273.380 2.859 10 0 CFAEHN CCN[C@@H](Cn1nc(C)cc1C)c1ccc(OC)cc1 ZINC000043995002 175136371 /nfs/dbraw/zinc/13/63/71/175136371.db2.gz YUWQVUHNQUDBRE-INIZCTEOSA-N 0 3 273.380 2.859 10 0 CFAEHN CCN[C@H](Cn1nc(C)cc1C)c1ccc(OC)cc1 ZINC000043995004 175136486 /nfs/dbraw/zinc/13/64/86/175136486.db2.gz YUWQVUHNQUDBRE-MRXNPFEDSA-N 0 3 273.380 2.859 10 0 CFAEHN CN[C@@H](Cn1ccnc1C(C)C)c1ccc(OC)cc1 ZINC000043997946 175137166 /nfs/dbraw/zinc/13/71/66/175137166.db2.gz IZCZTJGGBTVCIS-HNNXBMFYSA-N 0 3 273.380 2.976 10 0 CFAEHN CCN[C@@H](CN1CCOC1=O)c1c(C)cc(C)cc1C ZINC000043998374 175137179 /nfs/dbraw/zinc/13/71/79/175137179.db2.gz QIFLGQOALWZPJT-AWEZNQCLSA-N 0 3 276.380 2.715 10 0 CFAEHN CCCN[C@H](CN1CCOC1=O)c1ccc(OCC)cc1 ZINC000043998253 175137200 /nfs/dbraw/zinc/13/72/00/175137200.db2.gz DUBBCJZPVBSYLS-OAHLLOKOSA-N 0 3 292.379 2.578 10 0 CFAEHN CN[C@H](CN1CCCCC1=O)c1cc2ccccc2o1 ZINC000043998749 175137500 /nfs/dbraw/zinc/13/75/00/175137500.db2.gz IPLRCOOKGKNLCN-CYBMUJFWSA-N 0 3 272.348 2.706 10 0 CFAEHN CCN[C@H](Cn1cc(C)cn1)c1ccc(OC)cc1OC ZINC000043999836 175138115 /nfs/dbraw/zinc/13/81/15/175138115.db2.gz NLEPGOZGJXTOBS-OAHLLOKOSA-N 0 3 289.379 2.560 10 0 CFAEHN CCN[C@H](Cn1nc(C)nc1C)c1ccc(OCC)cc1 ZINC000044035269 175139024 /nfs/dbraw/zinc/13/90/24/175139024.db2.gz DQQGIBOPYWWNIN-MRXNPFEDSA-N 0 3 288.395 2.644 10 0 CFAEHN CCN[C@@H](Cn1nc(C)nc1C)c1ccccc1C ZINC000044035273 175139263 /nfs/dbraw/zinc/13/92/63/175139263.db2.gz BBUYQAKEEHYXGB-HNNXBMFYSA-N 0 3 258.369 2.554 10 0 CFAEHN CN[C@H](COCC(F)(F)F)c1ccc(OC)cc1OC ZINC000044041859 175139815 /nfs/dbraw/zinc/13/98/15/175139815.db2.gz JCAXGKLAOOOLPU-LLVKDONJSA-N 0 3 293.285 2.543 10 0 CFAEHN CN[C@H](COC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000044039304 175139871 /nfs/dbraw/zinc/13/98/71/175139871.db2.gz WIGAEOGIGFKHEX-CQSZACIVSA-N 0 3 277.364 2.678 10 0 CFAEHN CCOc1ccccc1[C@H](COCC(F)(F)F)NC ZINC000044042207 175139883 /nfs/dbraw/zinc/13/98/83/175139883.db2.gz LQWGELCHFHASAA-NSHDSACASA-N 0 3 277.286 2.925 10 0 CFAEHN CCN[C@@H](COCC(F)(F)F)c1ccc(OC)cc1 ZINC000044041598 175139892 /nfs/dbraw/zinc/13/98/92/175139892.db2.gz RITNLYYNRBHQCI-LBPRGKRZSA-N 0 3 277.286 2.925 10 0 CFAEHN CN[C@@H](COC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000044039301 175139937 /nfs/dbraw/zinc/13/99/37/175139937.db2.gz WIGAEOGIGFKHEX-AWEZNQCLSA-N 0 3 277.364 2.678 10 0 CFAEHN CN[C@@H]1c2ccccc2CC[C@H]1OCC(F)(F)F ZINC000044041272 175139997 /nfs/dbraw/zinc/13/99/97/175139997.db2.gz BSPDLPZPSAFCTN-VXGBXAGGSA-N 0 3 259.271 2.841 10 0 CFAEHN CCN[C@@H](Cn1ccnc1CC)c1ccc2c(c1)OCO2 ZINC000044036908 175140051 /nfs/dbraw/zinc/14/00/51/175140051.db2.gz OEJIDVBOQQXGMI-ZDUSSCGKSA-N 0 3 287.363 2.525 10 0 CFAEHN CN[C@@H](c1ccc(OC)cc1)[C@H](C)OCC(F)(F)F ZINC000044042196 175140061 /nfs/dbraw/zinc/14/00/61/175140061.db2.gz SVRAQYHIELVVIM-JOYOIKCWSA-N 0 3 277.286 2.923 10 0 CFAEHN CCCN[C@@H](COCCOC)c1ccccc1OCC ZINC000044059259 175140459 /nfs/dbraw/zinc/14/04/59/175140459.db2.gz ZRAUBOWDMBTIBC-HNNXBMFYSA-N 0 3 281.396 2.789 10 0 CFAEHN CN[C@@H](COC[C@@H]1CCOC1)c1c(C)cc(C)cc1C ZINC000044112245 175141045 /nfs/dbraw/zinc/14/10/45/175141045.db2.gz CKSZKFSEDWGLLH-CVEARBPZSA-N 0 3 277.408 2.925 10 0 CFAEHN CCCN1CCN([C@@H](CC)[C@H](O)c2ccccc2)CC1 ZINC000044114202 175141805 /nfs/dbraw/zinc/14/18/05/175141805.db2.gz ULJPFFJIPBCSAQ-DLBZAZTESA-N 0 3 276.424 2.526 10 0 CFAEHN CC[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2O)CCO1 ZINC000044132642 175144772 /nfs/dbraw/zinc/14/47/72/175144772.db2.gz YWGFNLBZSZCHBO-UAGQMJEPSA-N 0 3 275.392 2.536 10 0 CFAEHN CC[C@H]1CCCCN1[C@@H]1COc2ccccc2[C@@H]1O ZINC000044128940 175144927 /nfs/dbraw/zinc/14/49/27/175144927.db2.gz FJFUMACLCXDUBI-BJJXKVORSA-N 0 3 261.365 2.746 10 0 CFAEHN CC1(C)CN(C[C@@H](O)C23CC4CC(CC(C4)C2)C3)CCO1 ZINC000044159840 175146884 /nfs/dbraw/zinc/14/68/84/175146884.db2.gz KRJKGLKCRABUHG-QFQXCOSMSA-N 0 3 293.451 2.675 10 0 CFAEHN CCN(C[C@@H](O)c1ccc(OC(C)C)cc1)[C@@H](C)COC ZINC000044165196 175148042 /nfs/dbraw/zinc/14/80/42/175148042.db2.gz IZGFGRVUPDHLSO-WMLDXEAASA-N 0 3 295.423 2.864 10 0 CFAEHN C[C@@H](N(C)[C@@H]1COc2ccccc2[C@@H]1O)C(C)(C)C ZINC000044164714 175148054 /nfs/dbraw/zinc/14/80/54/175148054.db2.gz YDAHLNPETBYYKF-KYOSRNDESA-N 0 3 263.381 2.847 10 0 CFAEHN CN(C[C@@H]1CCCCO1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044165471 175148125 /nfs/dbraw/zinc/14/81/25/175148125.db2.gz XLKODFWZUOEUDT-UAGQMJEPSA-N 0 3 275.392 2.536 10 0 CFAEHN Cc1ccc([C@@H](O)[C@H](C)N(C)C[C@@H]2CCCCO2)cc1 ZINC000044165611 175148197 /nfs/dbraw/zinc/14/81/97/175148197.db2.gz BUWQYCCHFYHVRQ-XIRDDKMYSA-N 0 3 277.408 2.918 10 0 CFAEHN CCN(Cc1ccncc1)C[C@@H](O)c1ccc(OC)cc1 ZINC000044169563 175148747 /nfs/dbraw/zinc/14/87/47/175148747.db2.gz HEBFWGFEABHUKV-QGZVFWFLSA-N 0 3 286.375 2.646 10 0 CFAEHN C[C@@H]1CC[C@@H](O)[C@H](N(C)Cc2ccccc2F)C1 ZINC000044173635 175149073 /nfs/dbraw/zinc/14/90/73/175149073.db2.gz PXHWLMQIUXVNJK-KCPJHIHWSA-N 0 3 251.345 2.807 10 0 CFAEHN CCc1ccc([C@H](O)[C@H](C)N(CCOC)C2CC2)cc1 ZINC000044172228 175149269 /nfs/dbraw/zinc/14/92/69/175149269.db2.gz POLFTOUDAUUXOK-SUMWQHHRSA-N 0 3 277.408 2.782 10 0 CFAEHN CCc1ccc([C@@H](O)CN2CCN(C(C)(C)C)CC2)cc1 ZINC000044176172 175149820 /nfs/dbraw/zinc/14/98/20/175149820.db2.gz YZFYXBPSBXBWCH-KRWDZBQOSA-N 0 3 290.451 2.699 10 0 CFAEHN CC[C@@H]1CO[C@@H](C)CN1[C@@H]1CCc2ccccc2[C@@H]1O ZINC000044175749 175150286 /nfs/dbraw/zinc/15/02/86/175150286.db2.gz KBELCHIPTNPTTJ-JFOHDYCDSA-N 0 3 275.392 2.534 10 0 CFAEHN CCCNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000044287693 175159626 /nfs/dbraw/zinc/15/96/26/175159626.db2.gz SLQAIZGNNVUGGI-UHFFFAOYSA-N 0 3 276.258 2.523 10 0 CFAEHN Cc1ncsc1[C@@H](C)NC[C@H]1CCCCN1C ZINC000044560999 175204604 /nfs/dbraw/zinc/20/46/04/175204604.db2.gz DGXPVZDQYUWZLI-ZYHUDNBSSA-N 0 3 253.415 2.586 10 0 CFAEHN CN1CCCC[C@H]1CNCc1ccc(Cl)s1 ZINC000044561572 175205199 /nfs/dbraw/zinc/20/51/99/175205199.db2.gz VKVAIJYCJJKCBG-JTQLQIEISA-N 0 3 258.818 2.975 10 0 CFAEHN COc1ccc(OC)c([C@@H](C)NC[C@H]2CCCCN2C)c1 ZINC000044561924 175205432 /nfs/dbraw/zinc/20/54/32/175205432.db2.gz RPKTTXWTXXWWTK-ZIAGYGMSSA-N 0 3 292.423 2.839 10 0 CFAEHN CN1CCCC[C@H]1CNCc1ccc(Br)o1 ZINC000044562011 175205696 /nfs/dbraw/zinc/20/56/96/175205696.db2.gz QYQLJSXQNHCOKW-JTQLQIEISA-N 0 3 287.201 2.616 10 0 CFAEHN CN1CCCC[C@H]1CNc1ccc(N)cc1Cl ZINC000044563524 175206891 /nfs/dbraw/zinc/20/68/91/175206891.db2.gz IWRWPCDRVNZAET-NSHDSACASA-N 0 3 253.777 2.818 10 0 CFAEHN CN1CCCC[C@@H]1CNc1ccc(Cl)cc1N ZINC000044563530 175207044 /nfs/dbraw/zinc/20/70/44/175207044.db2.gz RAHNCCMDDZHGDR-LLVKDONJSA-N 0 3 253.777 2.818 10 0 CFAEHN CN1CCCC[C@@H]1CNC(=O)c1cc(Cl)ccc1F ZINC000044564378 175207293 /nfs/dbraw/zinc/20/72/93/175207293.db2.gz WCHPVBDVBLYGIV-LLVKDONJSA-N 0 3 284.762 2.693 10 0 CFAEHN Cc1nc(CN(C)[C@@H](CN)c2ccc(F)cc2)cs1 ZINC000044595089 175214945 /nfs/dbraw/zinc/21/49/45/175214945.db2.gz YIQKLDGHHKLURP-AWEZNQCLSA-N 0 3 279.384 2.722 10 0 CFAEHN Cc1nc(CN(C)[C@H](CN)c2ccccc2C)cs1 ZINC000044595155 175215075 /nfs/dbraw/zinc/21/50/75/175215075.db2.gz IBVYBLSPDNMBNS-OAHLLOKOSA-N 0 3 275.421 2.892 10 0 CFAEHN Cc1nc(CN(C)C[C@@H](N)c2ccccc2)cs1 ZINC000044609942 175216465 /nfs/dbraw/zinc/21/64/65/175216465.db2.gz JDPOPXWFDWKPLS-CQSZACIVSA-N 0 3 261.394 2.583 10 0 CFAEHN CCCNCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000044646664 175223289 /nfs/dbraw/zinc/22/32/89/175223289.db2.gz HIELSBXTTXHCBA-UHFFFAOYSA-N 0 3 263.366 2.543 10 0 CFAEHN CCCNCC(=O)Nc1cccc(-c2nccs2)c1 ZINC000044649709 175224193 /nfs/dbraw/zinc/22/41/93/175224193.db2.gz OPHKWFLPORORKM-UHFFFAOYSA-N 0 3 275.377 2.748 10 0 CFAEHN CCCNCC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 ZINC000044651413 175224944 /nfs/dbraw/zinc/22/49/44/175224944.db2.gz HJMSJPYEPCWGGJ-UHFFFAOYSA-N 0 3 291.395 2.609 10 0 CFAEHN CCCN[C@@H](COCCC)c1cnn(CCC)c1 ZINC000044654529 175225432 /nfs/dbraw/zinc/22/54/32/175225432.db2.gz 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CFAEHN CN[C@H](c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000035464979 172212478 /nfs/dbraw/zinc/21/24/78/172212478.db2.gz QLVFONRVZBCNAC-MRXNPFEDSA-N 0 3 255.317 2.767 10 0 CFAEHN CN[C@@H](c1cccs1)c1ccc2c(c1)CC(=O)N2 ZINC000035495574 172228975 /nfs/dbraw/zinc/22/89/75/172228975.db2.gz UXPPGMAUUANIRW-CQSZACIVSA-N 0 3 258.346 2.552 10 0 CFAEHN CN[C@H](c1cnn(C)c1)c1cc2c(s1)CCCC2 ZINC000035499898 172234119 /nfs/dbraw/zinc/23/41/19/172234119.db2.gz GWVNNQAHNZSGSP-CQSZACIVSA-N 0 3 261.394 2.669 10 0 CFAEHN CN[C@H](c1ccsc1)c1ccc2[nH]c(=O)oc2c1 ZINC000035500578 172235171 /nfs/dbraw/zinc/23/51/71/172235171.db2.gz IKQLJNDXTHTUJL-LBPRGKRZSA-N 0 3 260.318 2.904 10 0 CFAEHN CN[C@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1CCCO1 ZINC000035501269 172235908 /nfs/dbraw/zinc/23/59/08/172235908.db2.gz ZXEVBOLHVCDKQY-SMDDNHRTSA-N 0 3 285.771 2.797 10 0 CFAEHN CCC[C@@H](NC)c1cc2c(cc1F)NC(=O)CC2 ZINC000035506839 172239081 /nfs/dbraw/zinc/23/90/81/172239081.db2.gz JTGZKKQRHPHRIY-GFCCVEGCSA-N 0 3 250.317 2.771 10 0 CFAEHN CCN[C@H](c1ccc2c(c1)C[C@@H](C)O2)[C@@H]1CCCO1 ZINC000035570969 172267577 /nfs/dbraw/zinc/26/75/77/172267577.db2.gz BLHPEGUNRQOLSD-XFBWCDHKSA-N 0 3 261.365 2.840 10 0 CFAEHN CN[C@H]1COc2c1cc(Br)cc2Cl ZINC000035653773 172330848 /nfs/dbraw/zinc/33/08/48/172330848.db2.gz CALNPNPGUGZBOD-QMMMGPOBSA-N 0 3 262.534 2.755 10 0 CFAEHN Cc1ccsc1[C@@H](CN)N(C)Cc1ccco1 ZINC000035701350 172368881 /nfs/dbraw/zinc/36/88/81/172368881.db2.gz HVJYYZBBQOTYSU-GFCCVEGCSA-N 0 3 250.367 2.781 10 0 CFAEHN COc1cccc([C@@H](CN)N(C)Cc2ccsc2)c1 ZINC000035718880 172373042 /nfs/dbraw/zinc/37/30/42/172373042.db2.gz WWLFOAQSFMAPHD-OAHLLOKOSA-N 0 3 276.405 2.889 10 0 CFAEHN C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1ccco1 ZINC000035738281 172391749 /nfs/dbraw/zinc/39/17/49/172391749.db2.gz IPAUJWLMRRASAN-YPMHNXCESA-N 0 3 258.321 2.547 10 0 CFAEHN CN[C@H]1C[C@H](C)Oc2ccc(Br)cc21 ZINC000035751484 172396664 /nfs/dbraw/zinc/39/66/64/172396664.db2.gz QBKUVYDKTWBQDW-XVKPBYJWSA-N 0 3 256.143 2.881 10 0 CFAEHN 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OCC1CC(NCc2cccc(C(F)(F)F)c2)C1 ZINC000657808816 413957397 /nfs/dbraw/zinc/95/73/97/413957397.db2.gz PILOEFXVXIOHLW-UHFFFAOYSA-N 0 3 259.271 2.566 10 0 CFAEHN CC[C@H](C)CN(C)[C@@H](CN)c1c(F)cccc1F ZINC000037172599 173006870 /nfs/dbraw/zinc/00/68/70/173006870.db2.gz HCCCFSDFBIUMLD-GWCFXTLKSA-N 0 3 256.340 2.943 10 0 CFAEHN CC[C@@H](C)CN(C)c1c(CNC(C)C)c(C)nn1C ZINC000037173752 173007398 /nfs/dbraw/zinc/00/73/98/173007398.db2.gz GCTINSOSUJLKCN-GFCCVEGCSA-N 0 3 266.433 2.709 10 0 CFAEHN CC[C@H](C)CN(C)c1c(CNC(C)C)c(C)nn1C ZINC000037173753 173007632 /nfs/dbraw/zinc/00/76/32/173007632.db2.gz GCTINSOSUJLKCN-LBPRGKRZSA-N 0 3 266.433 2.709 10 0 CFAEHN CO[C@H]1CN[C@@H](c2nc3cccc(Cl)c3s2)C1 ZINC000037205989 173027685 /nfs/dbraw/zinc/02/76/85/173027685.db2.gz QLZGWTIHAKHFPB-GMSGAONNSA-N 0 3 268.769 2.999 10 0 CFAEHN N[C@@H](c1cc2c(cc1Cl)OCCCO2)[C@H]1CCCO1 ZINC000037332339 173133601 /nfs/dbraw/zinc/13/36/01/173133601.db2.gz JXLOFMNPGWGFRV-RISCZKNCSA-N 0 3 283.755 2.680 10 0 CFAEHN CC[C@@H](C)NCC(=O)Nc1cc(Cl)ccc1OC ZINC000037386439 173170123 /nfs/dbraw/zinc/17/01/23/173170123.db2.gz UMBNFQAYFICHLC-SECBINFHSA-N 0 3 270.760 2.675 10 0 CFAEHN O=C(CNC1CCCC1)Nc1ccc(OC(F)F)cc1 ZINC000037386909 173170895 /nfs/dbraw/zinc/17/08/95/173170895.db2.gz MHDWPIGKBFGYLX-UHFFFAOYSA-N 0 3 284.306 2.759 10 0 CFAEHN CC(C)NCC(=O)N[C@H](C)c1ccccc1Br ZINC000037389735 173173130 /nfs/dbraw/zinc/17/31/30/173173130.db2.gz CEFBBFRNPVIKHN-SNVBAGLBSA-N 0 3 299.212 2.624 10 0 CFAEHN CC[C@@H](C)NCC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000037396046 173176666 /nfs/dbraw/zinc/17/66/66/173176666.db2.gz KRKGIBJDGQUDMO-SECBINFHSA-N 0 3 297.786 2.625 10 0 CFAEHN C[C@H]1COCCN1[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424945 173199422 /nfs/dbraw/zinc/19/94/22/173199422.db2.gz QOQOFMJMIJCSFE-ZANVPECISA-N 0 3 289.206 2.714 10 0 CFAEHN CC(C)OCCOc1cc(Br)ccc1CN ZINC000037475527 173227815 /nfs/dbraw/zinc/22/78/15/173227815.db2.gz AMDSSTYOHZDCSX-UHFFFAOYSA-N 0 3 288.185 2.712 10 0 CFAEHN C[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCCCC1 ZINC000037493455 173233409 /nfs/dbraw/zinc/23/34/09/173233409.db2.gz IAQQZUDYKIGXAY-HOTGVXAUSA-N 0 3 288.435 2.998 10 0 CFAEHN CCc1ccc([C@H](C)NC(=O)C2(N)CCCC2)cc1 ZINC000037616392 173565203 /nfs/dbraw/zinc/56/52/03/173565203.db2.gz XSTCFGVLFRYCTA-LBPRGKRZSA-N 0 3 260.381 2.698 10 0 CFAEHN C[C@H]1CCCC[C@@H]1N(C)C(=O)C1(N)CCCCC1 ZINC000037806828 173749510 /nfs/dbraw/zinc/74/95/10/173749510.db2.gz PAJRUIKTYHFHKQ-STQMWFEESA-N 0 3 252.402 2.685 10 0 CFAEHN NC(=O)[C@]1(NC2CCCCC2)CCCc2ccccc21 ZINC000037969862 173919253 /nfs/dbraw/zinc/91/92/53/173919253.db2.gz MJDANCXKBGAPSG-KRWDZBQOSA-N 0 3 272.392 2.626 10 0 CFAEHN CCOc1ccc([C@H](NC2CCCCCC2)C(N)=O)cc1 ZINC000037970656 173920505 /nfs/dbraw/zinc/92/05/05/173920505.db2.gz DOSSDLFEJUSDJZ-INIZCTEOSA-N 0 3 290.407 2.924 10 0 CFAEHN CCC1(CC)CCCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000662694001 414593356 /nfs/dbraw/zinc/59/33/56/414593356.db2.gz WCAGKIBZDGOFFU-HNNXBMFYSA-N 0 3 266.429 2.947 10 0 CFAEHN CCC[C@H](N)C(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000662742346 414603089 /nfs/dbraw/zinc/60/30/89/414603089.db2.gz SXWDAEZHMRKXIA-GJZGRUSLSA-N 0 3 266.429 2.933 10 0 CFAEHN Cc1ncsc1[C@@H](C)NC[C@@H](C)N1CCCCC1 ZINC000038029140 174019167 /nfs/dbraw/zinc/01/91/67/174019167.db2.gz GRCCYBPKOFXFHY-VXGBXAGGSA-N 0 3 267.442 2.977 10 0 CFAEHN CCOC(=O)c1ccc(NC[C@@H](C)N2CCCCC2)nc1 ZINC000038029330 174019269 /nfs/dbraw/zinc/01/92/69/174019269.db2.gz QVLYIXOMMNUZSF-CYBMUJFWSA-N 0 3 291.395 2.545 10 0 CFAEHN CC[C@@H](C(=O)N(C)[C@H](CN)C(F)(F)F)c1ccccc1 ZINC000662974841 414640252 /nfs/dbraw/zinc/64/02/52/414640252.db2.gz BBUSHEPLTJJRHP-VXGBXAGGSA-N 0 3 288.313 2.528 10 0 CFAEHN CCC[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101435 174116883 /nfs/dbraw/zinc/11/68/83/174116883.db2.gz LDIVGTHDEMMHIJ-GWCFXTLKSA-N 0 3 268.788 2.987 10 0 CFAEHN CCN1CCC(CO)(Nc2cccc(Cl)c2)CC1 ZINC000038113730 174124121 /nfs/dbraw/zinc/12/41/21/174124121.db2.gz CWLMJGOZZPXMMF-UHFFFAOYSA-N 0 3 268.788 2.599 10 0 CFAEHN CC(C)N[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000038115568 174125260 /nfs/dbraw/zinc/12/52/60/174125260.db2.gz DMRXMUFEUBOYMY-GFCCVEGCSA-N 0 3 261.287 2.911 10 0 CFAEHN c1ccc2c(c1)OCC[C@H]2NCCN1CCCCC1 ZINC000038393139 174141598 /nfs/dbraw/zinc/14/15/98/174141598.db2.gz ZZNPNCNMEXMMHY-OAHLLOKOSA-N 0 3 260.381 2.586 10 0 CFAEHN CCN(CC)CCC(=O)n1c2ccccc2nc1C(C)=O ZINC000039758589 174172485 /nfs/dbraw/zinc/17/24/85/174172485.db2.gz GGYZLXJMFPSFBJ-UHFFFAOYSA-N 0 3 287.363 2.611 10 0 CFAEHN COc1cccc([C@@H](CN)N2C[C@H](C)C[C@H](C)C2)c1OC ZINC000039789169 174173534 /nfs/dbraw/zinc/17/35/34/174173534.db2.gz BCKVVEZOMAAIEM-VNHYZAJKSA-N 0 3 292.423 2.682 10 0 CFAEHN CC(C)[C@H](CNCc1ccccc1Cl)N1CCOCC1 ZINC000040165720 174197606 /nfs/dbraw/zinc/19/76/06/174197606.db2.gz LBAMFWOLANYJRV-INIZCTEOSA-N 0 3 296.842 2.786 10 0 CFAEHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000040463263 174272090 /nfs/dbraw/zinc/27/20/90/174272090.db2.gz UGVBMNZMQGTSLC-AHDPXTMNSA-N 0 3 268.445 2.937 10 0 CFAEHN C[C@H]1c2ccsc2CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000040469132 174277931 /nfs/dbraw/zinc/27/79/31/174277931.db2.gz VZJNOWCHSYLCLK-JOYOIKCWSA-N 0 3 266.410 2.567 10 0 CFAEHN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)COc1ccc(C)cc1 ZINC000040499850 174296461 /nfs/dbraw/zinc/29/64/61/174296461.db2.gz IPHOOLARUFULPG-LSDHHAIUSA-N 0 3 292.423 2.609 10 0 CFAEHN CCOc1ccccc1CN[C@H]1CCCN(CC)C1 ZINC000040502029 174297912 /nfs/dbraw/zinc/29/79/12/174297912.db2.gz YIINEQBMTKQQGW-HNNXBMFYSA-N 0 3 262.397 2.659 10 0 CFAEHN CCN1CCC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000040502636 174299115 /nfs/dbraw/zinc/29/91/15/174299115.db2.gz KWYNQXUVFBUAOA-CYBMUJFWSA-N 0 3 254.324 2.539 10 0 CFAEHN CCCCOCCNCc1c(C)nc2scc(C)n12 ZINC000040506842 174302437 /nfs/dbraw/zinc/30/24/37/174302437.db2.gz BLPHWIVWDPGMKH-UHFFFAOYSA-N 0 3 281.425 2.919 10 0 CFAEHN Cc1cc(C)c(CN)c(N2CCC[C@H]2c2ccncc2)n1 ZINC000040509493 174304089 /nfs/dbraw/zinc/30/40/89/174304089.db2.gz KICLSWNGZHLGDN-INIZCTEOSA-N 0 3 282.391 2.894 10 0 CFAEHN CCN(CC)[C@@H](CNC(=O)N(C)C)c1ccc(C)cc1 ZINC000040615395 174354120 /nfs/dbraw/zinc/35/41/20/174354120.db2.gz UNJSBAVGTOUUFQ-HNNXBMFYSA-N 0 3 277.412 2.649 10 0 CFAEHN CCN(CC)[C@@H](CNC(=O)OC)c1ccc(C)cc1 ZINC000040615391 174354246 /nfs/dbraw/zinc/35/42/46/174354246.db2.gz INPOGHZARMAWDP-AWEZNQCLSA-N 0 3 264.369 2.734 10 0 CFAEHN Cc1cccc2c1OCCC[C@H]2NCCc1nccn1C ZINC000040639309 174363778 /nfs/dbraw/zinc/36/37/78/174363778.db2.gz GWYLQXGVTBFCBF-OAHLLOKOSA-N 0 3 285.391 2.775 10 0 CFAEHN CC[C@@H](N[C@@H]1CCCN(C)C1)c1ccccc1OC ZINC000040672882 174371375 /nfs/dbraw/zinc/37/13/75/174371375.db2.gz WOODHBCWASOWED-UKRRQHHQSA-N 0 3 262.397 2.830 10 0 CFAEHN CN1CCC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000040673550 174372074 /nfs/dbraw/zinc/37/20/74/174372074.db2.gz MCBCMBXAOQHNAX-SECBINFHSA-N 0 3 259.275 2.607 10 0 CFAEHN CCOc1ccc([C@@H](N)CN2CCC(OCC)CC2)cc1 ZINC000040689349 174376387 /nfs/dbraw/zinc/37/63/87/174376387.db2.gz DSNRCVWABRYZFV-KRWDZBQOSA-N 0 3 292.423 2.586 10 0 CFAEHN CN(C)c1cccc(O[C@H]2COc3ccccc3[C@H]2N)c1 ZINC000040714354 174382103 /nfs/dbraw/zinc/38/21/03/174382103.db2.gz OQDSIWDDKPCULL-DLBZAZTESA-N 0 3 284.359 2.592 10 0 CFAEHN C[C@@H]1CCN([C@@H](CN)c2ccccc2OC(F)F)C1 ZINC000040717172 174384135 /nfs/dbraw/zinc/38/41/35/174384135.db2.gz YKCTWCZIJVXNJD-PWSUYJOCSA-N 0 3 270.323 2.630 10 0 CFAEHN CCc1c(C)nn([C@@H]2COc3ccccc3[C@@H]2N)c1C ZINC000040732344 174388584 /nfs/dbraw/zinc/38/85/84/174388584.db2.gz RRXCGMRIMQJVEI-ZBFHGGJFSA-N 0 3 271.364 2.696 10 0 CFAEHN Nc1cc(C(=O)NCCN2CCCCCC2)ccc1Cl ZINC000040766900 174398407 /nfs/dbraw/zinc/39/84/07/174398407.db2.gz SWPIJFNLZYHECV-UHFFFAOYSA-N 0 3 295.814 2.528 10 0 CFAEHN COc1ccc2c(c1)[C@@H](NC(C)C)CCC[S@]2=O ZINC000040975811 174444117 /nfs/dbraw/zinc/44/41/17/174444117.db2.gz ORXHHBMIJCOXHC-UGSOOPFHSA-N 0 3 267.394 2.636 10 0 CFAEHN C[C@H]1C[S@@](=O)c2ccc(C(C)(C)C)cc2[C@@H]1N ZINC000040976377 174444722 /nfs/dbraw/zinc/44/47/22/174444722.db2.gz ZUQWULFNFGTVKC-VSQKUCPKSA-N 0 3 251.395 2.741 10 0 CFAEHN COc1cccc(CN(C)[C@H](c2ccco2)[C@@H](C)N)c1 ZINC000043335628 175011420 /nfs/dbraw/zinc/01/14/20/175011420.db2.gz CZQPJEQBNNFSAB-WBMJQRKESA-N 0 3 274.364 2.809 10 0 CFAEHN COc1ccc(CO[C@H](c2ccco2)[C@@H](C)N)cc1 ZINC000043337416 175012760 /nfs/dbraw/zinc/01/27/60/175012760.db2.gz LXRYDHZLODCICU-ABAIWWIYSA-N 0 3 261.321 2.893 10 0 CFAEHN NC[C@@H](c1ccncc1)N(Cc1ccccc1)C1CC1 ZINC000043353597 175020613 /nfs/dbraw/zinc/02/06/13/175020613.db2.gz MBVYGLDCEIVGMS-KRWDZBQOSA-N 0 3 267.376 2.746 10 0 CFAEHN CC1(C)Cc2cccc(O[C@@H](CN)c3ccncc3)c2O1 ZINC000043355219 175023125 /nfs/dbraw/zinc/02/31/25/175023125.db2.gz RRSSBOMHDLVNES-HNNXBMFYSA-N 0 3 284.359 2.874 10 0 CFAEHN NC[C@H](Oc1ccccc1Br)c1ccncc1 ZINC000043355771 175023472 /nfs/dbraw/zinc/02/34/72/175023472.db2.gz QKFHHUWZNCRNEC-ZDUSSCGKSA-N 0 3 293.164 2.923 10 0 CFAEHN C[C@@H]1CCCN1[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390397 175033504 /nfs/dbraw/zinc/03/35/04/175033504.db2.gz NDVBNZNARPAJGU-RNCFNFMXSA-N 0 3 256.752 2.963 10 0 CFAEHN O[C@H]1CCC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000043389716 175033640 /nfs/dbraw/zinc/03/36/40/175033640.db2.gz OPHWNIXHBBTIQU-MNOVXSKESA-N 0 3 257.736 2.872 10 0 CFAEHN C[C@H]1CCCN1[C@@H](CN)c1ccc(Cl)c(F)c1 ZINC000043390399 175033774 /nfs/dbraw/zinc/03/37/74/175033774.db2.gz NDVBNZNARPAJGU-ZANVPECISA-N 0 3 256.752 2.963 10 0 CFAEHN CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccccc1CN ZINC000043435774 175045102 /nfs/dbraw/zinc/04/51/02/175045102.db2.gz VDVLRUSAOCWFKX-UHFFFAOYSA-N 0 3 298.452 2.638 10 0 CFAEHN NC[C@@H](Oc1cccc(CO)c1)c1ccc(Cl)cc1 ZINC000043474961 175054281 /nfs/dbraw/zinc/05/42/81/175054281.db2.gz DITZCCBJIDQVTM-OAHLLOKOSA-N 0 3 277.751 2.911 10 0 CFAEHN c1cc2c(s1)CCN(C[C@@H]1NCCc3ccccc31)C2 ZINC000043595925 175076774 /nfs/dbraw/zinc/07/67/74/175076774.db2.gz CDROCVUOKVXTHL-INIZCTEOSA-N 0 3 284.428 2.993 10 0 CFAEHN Cc1cccc2[nH]c([C@H](N)Cc3ccc(O)cc3)nc21 ZINC000043601041 175077575 /nfs/dbraw/zinc/07/75/75/175077575.db2.gz PQMFGPRTGRFRRE-CYBMUJFWSA-N 0 3 267.332 2.819 10 0 CFAEHN Cc1cccc2nc([C@H](N)Cc3ccc(O)cc3)[nH]c21 ZINC000043601041 175077576 /nfs/dbraw/zinc/07/75/76/175077576.db2.gz PQMFGPRTGRFRRE-CYBMUJFWSA-N 0 3 267.332 2.819 10 0 CFAEHN CCOCc1ccccc1CNC[C@@H](C)C(=O)OCC ZINC000043613351 175079028 /nfs/dbraw/zinc/07/90/28/175079028.db2.gz RDSKAWHNSRJMRZ-CYBMUJFWSA-N 0 3 279.380 2.512 10 0 CFAEHN CCOC(=O)C[C@H](C)N[C@H](C)c1cccc(F)c1 ZINC000043621749 175080937 /nfs/dbraw/zinc/08/09/37/175080937.db2.gz XJBHNLPOPMQFCT-WDEREUQCSA-N 0 3 253.317 2.818 10 0 CFAEHN COC(=O)[C@@H](C)Oc1c2ccccc2ccc1[C@H](C)N ZINC000043625154 175081531 /nfs/dbraw/zinc/08/15/31/175081531.db2.gz KIWIKIBKGWULGM-WDEREUQCSA-N 0 3 273.332 2.800 10 0 CFAEHN CCN[C@H](CN(CC)CC)c1cc(OC)ccc1OC ZINC000043809290 175109899 /nfs/dbraw/zinc/10/98/99/175109899.db2.gz ZMNWHUCSGYIGPY-OAHLLOKOSA-N 0 3 280.412 2.696 10 0 CFAEHN CN[C@H](CN(C)C(C)C)c1cc(C)ccc1OC ZINC000043813194 175110633 /nfs/dbraw/zinc/11/06/33/175110633.db2.gz OHHGJSUCXGXTJT-CQSZACIVSA-N 0 3 250.386 2.604 10 0 CFAEHN 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CCCN[C@@H]1c2ccccc2OC[C@H]1N(C)CC1CC1 ZINC000043906690 175122648 /nfs/dbraw/zinc/12/26/48/175122648.db2.gz DFEMYSSIXDVCRT-NVXWUHKLSA-N 0 3 274.408 2.830 10 0 CFAEHN CCCN[C@H](CN(C)CCOC)c1ccccc1OCC ZINC000043916408 175125615 /nfs/dbraw/zinc/12/56/15/175125615.db2.gz ZFGLLULPAMMJHU-MRXNPFEDSA-N 0 3 294.439 2.704 10 0 CFAEHN CCCCN(C[C@H](NC)c1ccc2c(c1)OCO2)C1CC1 ZINC000043968074 175129164 /nfs/dbraw/zinc/12/91/64/175129164.db2.gz CPCTVDZZTQFGBZ-HNNXBMFYSA-N 0 3 290.407 2.940 10 0 CFAEHN CCN[C@H](Cn1ccccc1=O)c1ccccc1OCC ZINC000043987711 175135039 /nfs/dbraw/zinc/13/50/39/175135039.db2.gz AXDAQFQBFBBBBW-OAHLLOKOSA-N 0 3 286.375 2.598 10 0 CFAEHN CN[C@@H](Cn1ccccc1=O)c1cc2ccccc2o1 ZINC000043987565 175135053 /nfs/dbraw/zinc/13/50/53/175135053.db2.gz ZDKNRQSBIFNRSN-ZDUSSCGKSA-N 0 3 268.316 2.555 10 0 CFAEHN CN[C@H](Cn1ccccc1=O)c1cc2ccccc2o1 ZINC000043987569 175135083 /nfs/dbraw/zinc/13/50/83/175135083.db2.gz ZDKNRQSBIFNRSN-CYBMUJFWSA-N 0 3 268.316 2.555 10 0 CFAEHN CCN[C@H](Cn1ccccc1=O)c1ccc(C)cc1 ZINC000043987624 175135118 /nfs/dbraw/zinc/13/51/18/175135118.db2.gz KJRHAVFLQCRDPI-OAHLLOKOSA-N 0 3 256.349 2.508 10 0 CFAEHN CCN[C@H](Cn1cccn1)c1cc2ccccc2o1 ZINC000043988365 175135191 /nfs/dbraw/zinc/13/51/91/175135191.db2.gz KEKPJPFTQQXCAG-CYBMUJFWSA-N 0 3 255.321 2.980 10 0 CFAEHN CCN[C@@H](Cn1ccccc1=O)c1ccc(OCC)cc1 ZINC000043987667 175135204 /nfs/dbraw/zinc/13/52/04/175135204.db2.gz WHBJJSGDAVYTFM-INIZCTEOSA-N 0 3 286.375 2.598 10 0 CFAEHN CCN[C@@H](Cn1ccccc1=O)c1ccc(C)c(C)c1 ZINC000043987430 175135210 /nfs/dbraw/zinc/13/52/10/175135210.db2.gz FYERJTADFSIQHD-INIZCTEOSA-N 0 3 270.376 2.816 10 0 CFAEHN CCCN[C@H](Cn1ccccc1=O)c1ccc(OC)cc1 ZINC000043987535 175135361 /nfs/dbraw/zinc/13/53/61/175135361.db2.gz XCHADYAIXLHSRQ-MRXNPFEDSA-N 0 3 286.375 2.598 10 0 CFAEHN CCN[C@@H](Cn1ccccc1=O)c1ccccc1C ZINC000043987675 175135477 /nfs/dbraw/zinc/13/54/77/175135477.db2.gz CTEQYKPKHQEFOO-HNNXBMFYSA-N 0 3 256.349 2.508 10 0 CFAEHN CCN[C@H](c1ccccc1)[C@@H](C(C)C)n1cncn1 ZINC000043991617 175135987 /nfs/dbraw/zinc/13/59/87/175135987.db2.gz OAQVFRRAMFOLKW-HUUCEWRRSA-N 0 3 258.369 2.826 10 0 CFAEHN CCN[C@@H](Cn1ccnc1C)c1ccccc1OC ZINC000043994181 175136342 /nfs/dbraw/zinc/13/63/42/175136342.db2.gz YNQRRHAGHOENGF-AWEZNQCLSA-N 0 3 259.353 2.551 10 0 CFAEHN CN[C@@H](CN1CCCCCCC1=O)c1ccc(OC)cc1 ZINC000043997155 175137263 /nfs/dbraw/zinc/13/72/63/175137263.db2.gz APGNFSIVHNVDEG-INIZCTEOSA-N 0 3 290.407 2.748 10 0 CFAEHN CN[C@H](CN1C(=O)CCCC1=O)c1ccc(C(C)C)cc1 ZINC000043999083 175137872 /nfs/dbraw/zinc/13/78/72/175137872.db2.gz PIZUNBSCUPZQBB-OAHLLOKOSA-N 0 3 288.391 2.610 10 0 CFAEHN CCN[C@H](CN1CCCCC1=O)c1ccc(OCC)cc1 ZINC000043998793 175137890 /nfs/dbraw/zinc/13/78/90/175137890.db2.gz IQSSOBYSXOGYJQ-MRXNPFEDSA-N 0 3 290.407 2.748 10 0 CFAEHN CCCN[C@H](Cn1cc(C)cn1)c1ccc(OC)cc1 ZINC000043999684 175137994 /nfs/dbraw/zinc/13/79/94/175137994.db2.gz VRTHEZXNODZFRX-MRXNPFEDSA-N 0 3 273.380 2.941 10 0 CFAEHN CCCN[C@@H](Cn1nc(C)nc1C)c1ccc(OC)cc1 ZINC000044034803 175139305 /nfs/dbraw/zinc/13/93/05/175139305.db2.gz BFYNDPAIVJVTCU-INIZCTEOSA-N 0 3 288.395 2.644 10 0 CFAEHN CN[C@@H]1c2ccccc2C[C@H]1n1ccc(C(F)(F)F)n1 ZINC000044038213 175139649 /nfs/dbraw/zinc/13/96/49/175139649.db2.gz NIUCORDXXJTOHL-DGCLKSJQSA-N 0 3 281.281 2.960 10 0 CFAEHN CN[C@H](COCC(F)(F)F)c1cc(C)ccc1OC ZINC000044042242 175139885 /nfs/dbraw/zinc/13/98/85/175139885.db2.gz INNDFPJHTJGVHP-LLVKDONJSA-N 0 3 277.286 2.843 10 0 CFAEHN CN[C@H]1c2ccccc2C[C@H]1Oc1ccc(OC)cc1 ZINC000044057666 175140479 /nfs/dbraw/zinc/14/04/79/175140479.db2.gz CWCFKMDQQPZIQH-SJORKVTESA-N 0 3 269.344 2.959 10 0 CFAEHN CCOc1ccc([C@@H](C)O)cc1CN(CC)CC ZINC000044116052 175141763 /nfs/dbraw/zinc/14/17/63/175141763.db2.gz CBOHRQZTGGYXOW-GFCCVEGCSA-N 0 3 251.370 2.980 10 0 CFAEHN CN(C)[C@H](c1ccccc1)[C@H](O)Cc1ccccc1 ZINC000044122232 175143075 /nfs/dbraw/zinc/14/30/75/175143075.db2.gz CWQSSIRIOIAHCB-IAGOWNOFSA-N 0 3 255.361 2.893 10 0 CFAEHN CCCCN(C)C[C@H](O)c1ccccc1OCC ZINC000044123027 175143314 /nfs/dbraw/zinc/14/33/14/175143314.db2.gz PPGLBJCOYHFHLC-AWEZNQCLSA-N 0 3 251.370 2.851 10 0 CFAEHN COc1ccc([C@@H](C)O)cc1CN(C)CC(C)C ZINC000044129919 175144848 /nfs/dbraw/zinc/14/48/48/175144848.db2.gz WWXHPDWYRFXLGZ-GFCCVEGCSA-N 0 3 251.370 2.836 10 0 CFAEHN CC(C)N1CCN([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2O)CC1 ZINC000044132821 175145073 /nfs/dbraw/zinc/14/50/73/175145073.db2.gz ICPTYFHKGJQCNG-JYJNAYRXSA-N 0 3 282.472 2.588 10 0 CFAEHN Cc1ccc([C@H](O)[C@H](C)N(C)Cc2ccccn2)cc1 ZINC000044133552 175145420 /nfs/dbraw/zinc/14/54/20/175145420.db2.gz WBNCBFIXPKJZKU-WMLDXEAASA-N 0 3 270.376 2.944 10 0 CFAEHN CCOC1CCN(C[C@H](O)c2ccc(CC)cc2)CC1 ZINC000044162060 175147606 /nfs/dbraw/zinc/14/76/06/175147606.db2.gz ZXOJESQXHNOVJE-KRWDZBQOSA-N 0 3 277.408 2.783 10 0 CFAEHN CN(C[C@H]1CCCCO1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000044165661 175147936 /nfs/dbraw/zinc/14/79/36/175147936.db2.gz XATPJMGTEFOTCX-NXHRZFHOSA-N 0 3 289.419 2.926 10 0 CFAEHN 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298.430 2.706 10 0 CFAEHN CCN1CCC[C@H]1CN(C)C(=O)CSCCC(C)C ZINC000176991015 380290379 /nfs/dbraw/zinc/29/03/79/380290379.db2.gz ZXLMSBDCYQJDAC-AWEZNQCLSA-N 0 3 286.485 2.708 10 0 CFAEHN CCCCS[C@H](C)C(=O)N(C)C[C@@H]1CCCN1CC ZINC000176991182 380291476 /nfs/dbraw/zinc/29/14/76/380291476.db2.gz BTRKHLIEGVPYEP-KGLIPLIRSA-N 0 3 286.485 2.851 10 0 CFAEHN CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(SC)o1 ZINC000177003240 380293209 /nfs/dbraw/zinc/29/32/09/380293209.db2.gz ANUIYDHQFDOFGD-LLVKDONJSA-N 0 3 282.409 2.558 10 0 CFAEHN C(=C/c1ccccc1)\CN1CCN2CCCC[C@@H]2C1 ZINC000177755292 380375997 /nfs/dbraw/zinc/37/59/97/380375997.db2.gz LKPKFMWTYRDKMN-RCMYXZNBSA-N 0 3 256.393 2.870 10 0 CFAEHN CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000178592412 380467934 /nfs/dbraw/zinc/46/79/34/380467934.db2.gz GQQXCHCXHPZPEQ-UONOGXRCSA-N 0 3 269.433 2.548 10 0 CFAEHN CCSc1ccccc1[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000180486733 380667947 /nfs/dbraw/zinc/66/79/47/380667947.db2.gz LXLSLIGTUCNYMJ-KBPBESRZSA-N 0 3 294.464 2.780 10 0 CFAEHN CCSc1ccccc1[C@@H](C)NC[C@@H]1CN(C)CCO1 ZINC000180486675 380667958 /nfs/dbraw/zinc/66/79/58/380667958.db2.gz LXLSLIGTUCNYMJ-ZIAGYGMSSA-N 0 3 294.464 2.780 10 0 CFAEHN Cc1nc(C(C)C)sc1[C@H](C)NC[C@H]1CN(C)CCO1 ZINC000180492817 380667989 /nfs/dbraw/zinc/66/79/89/380667989.db2.gz FVPIEHWHUPKGJR-AAEUAGOBSA-N 0 3 297.468 2.556 10 0 CFAEHN CCCc1cnc(NC(=O)N[C@@H]2CCCN(CC)C2)s1 ZINC000180828200 380703235 /nfs/dbraw/zinc/70/32/35/380703235.db2.gz YILSPSIOQQJMDD-LLVKDONJSA-N 0 3 296.440 2.701 10 0 CFAEHN CC(C)[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000181294948 380771065 /nfs/dbraw/zinc/77/10/65/380771065.db2.gz MZJPOJAPOWEMKY-CABCVRRESA-N 0 3 291.439 2.851 10 0 CFAEHN CCOc1cc(Cl)ccc1C(=O)N1CC[C@H](N(C)C)C1 ZINC000181502559 380811599 /nfs/dbraw/zinc/81/15/99/380811599.db2.gz NKJXIGZITGUVHA-LBPRGKRZSA-N 0 3 296.798 2.515 10 0 CFAEHN Cc1scc(CNC[C@H](O)COCc2ccco2)c1C ZINC000399851910 380847747 /nfs/dbraw/zinc/84/77/47/380847747.db2.gz LZYOSMQWRWSMPP-AWEZNQCLSA-N 0 3 295.404 2.625 10 0 CFAEHN CCO[C@@H]1C[C@H](N(C)C[C@H](O)C(F)(F)F)C12CCCC2 ZINC000181764605 380887999 /nfs/dbraw/zinc/88/79/99/380887999.db2.gz HXKUZTJKUOKYLU-SDDRHHMPSA-N 0 3 295.345 2.579 10 0 CFAEHN Cc1cccc(CN2CCC(F)(C(=O)NC3CC3)CC2)c1 ZINC000409420857 380959067 /nfs/dbraw/zinc/95/90/67/380959067.db2.gz KILSDEVDGFXMMG-UHFFFAOYSA-N 0 3 290.382 2.578 10 0 CFAEHN Cc1c[nH]nc1CN[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000289795156 381162654 /nfs/dbraw/zinc/16/26/54/381162654.db2.gz HWEPSKSKZRTMSK-UWVGGRQHSA-N 0 3 261.291 2.929 10 0 CFAEHN Cc1cc(CN2CCC[C@H](O)[C@H]2C)c2ccccc2n1 ZINC000296172414 381286527 /nfs/dbraw/zinc/28/65/27/381286527.db2.gz KZSKLXQCHVUPNO-DYVFJYSZSA-N 0 3 270.376 2.888 10 0 CFAEHN Cc1ccccc1[C@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000185034183 381518284 /nfs/dbraw/zinc/51/82/84/381518284.db2.gz YKKCKVJHFFDJFW-AWEZNQCLSA-N 0 3 289.423 2.792 10 0 CFAEHN CCC[C@H](N[C@@H]1CCc2nc(CC)nn2C1)c1cccnc1 ZINC000185994863 381796564 /nfs/dbraw/zinc/79/65/64/381796564.db2.gz HAXDPMIYWLZCDV-CABCVRRESA-N 0 3 299.422 2.681 10 0 CFAEHN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)CCC1CC1 ZINC000186381073 381895860 /nfs/dbraw/zinc/89/58/60/381895860.db2.gz XPPFTHQPKKELBG-WCQYABFASA-N 0 3 262.401 2.844 10 0 CFAEHN CCO[C@H]1C[C@@H](NCc2ncc(C)s2)C12CCOCC2 ZINC000186361451 381890900 /nfs/dbraw/zinc/89/09/00/381890900.db2.gz QQMSABQINVBXBB-OLZOCXBDSA-N 0 3 296.436 2.515 10 0 CFAEHN C[C@H](CCC1CC1)N[C@H](C)c1nnc2n1CCCC2 ZINC000186364522 381892381 /nfs/dbraw/zinc/89/23/81/381892381.db2.gz HQDHXIPHGQPVEJ-VXGBXAGGSA-N 0 3 262.401 2.844 10 0 CFAEHN Cc1nnc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000349534779 381955429 /nfs/dbraw/zinc/95/54/29/381955429.db2.gz JHTLFWZYLWPZCL-KJEFBRPJSA-N 0 3 274.412 2.808 10 0 CFAEHN Cc1nccnc1NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000357184065 382045025 /nfs/dbraw/zinc/04/50/25/382045025.db2.gz BDWMSDLSGHHKIS-KRWDZBQOSA-N 0 3 296.418 2.674 10 0 CFAEHN CN(C)[C@@H]1CCN(C(=O)Nc2cccc(C(C)(F)F)c2)C1 ZINC000186988952 382069145 /nfs/dbraw/zinc/06/91/45/382069145.db2.gz IBTLWZBBXFQNQV-CYBMUJFWSA-N 0 3 297.349 2.966 10 0 CFAEHN CC[C@@H]1CN2CCCC[C@H]2CN1C[C@H]1CCSC1 ZINC000300270348 382058875 /nfs/dbraw/zinc/05/88/75/382058875.db2.gz JQCWAGGLOIRRAY-KFWWJZLASA-N 0 3 268.470 2.688 10 0 CFAEHN CCn1cnnc1CN[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000300409703 382061735 /nfs/dbraw/zinc/06/17/35/382061735.db2.gz BRDCWESGHJKVQR-MELADBBJSA-N 0 3 264.417 2.848 10 0 CFAEHN Cc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1 ZINC000187182112 382122429 /nfs/dbraw/zinc/12/24/29/382122429.db2.gz FXTRIHBMMSTCNL-IAGOWNOFSA-N 0 3 274.408 2.825 10 0 CFAEHN C[C@H]1CSCCN1CCN(C)Cc1ccc(F)cc1 ZINC000187067936 382090959 /nfs/dbraw/zinc/09/09/59/382090959.db2.gz MODKCPLWMOSDTC-ZDUSSCGKSA-N 0 3 282.428 2.695 10 0 CFAEHN CC[C@@H]1CN2CCCC[C@H]2CN1CCc1scnc1C ZINC000376583600 382152201 /nfs/dbraw/zinc/15/22/01/382152201.db2.gz YRCDMQBVYACGFD-CABCVRRESA-N 0 3 293.480 2.943 10 0 CFAEHN Cc1cccc2c(N3CC[C@@H](C)[C@@H](O)C3)ccnc12 ZINC000301952410 382202411 /nfs/dbraw/zinc/20/24/11/382202411.db2.gz HBWAKAHNQZRVKM-ABAIWWIYSA-N 0 3 256.349 2.750 10 0 CFAEHN CCc1nnc(CN[C@H]2CCC(C)(C)C[C@@H]2C)n1C ZINC000187686599 382247999 /nfs/dbraw/zinc/24/79/99/382247999.db2.gz OMXXGYGNNFHNCP-RYUDHWBXSA-N 0 3 264.417 2.682 10 0 CFAEHN COC[C@@H]1CN(c2ccnc3c(C)cccc23)C[C@@H](C)O1 ZINC000302516229 382261253 /nfs/dbraw/zinc/26/12/53/382261253.db2.gz AOCXGTNWMRBEER-KGLIPLIRSA-N 0 3 286.375 2.783 10 0 CFAEHN CSC[C@@H](O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000188219635 382370435 /nfs/dbraw/zinc/37/04/35/382370435.db2.gz HUFUTGKJBQWXGW-SCZZXKLOSA-N 0 3 277.792 2.854 10 0 CFAEHN CC(C)CCOCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188119834 382348463 /nfs/dbraw/zinc/34/84/63/382348463.db2.gz FODBPJDQEVMQDN-HOTGVXAUSA-N 0 3 297.464 2.819 10 0 CFAEHN CCC[C@H](C(=O)NCc1ccc(Cl)cc1F)N(C)C ZINC000188659571 382451771 /nfs/dbraw/zinc/45/17/71/382451771.db2.gz RPPAZUNSGSQHJN-CYBMUJFWSA-N 0 3 286.778 2.826 10 0 CFAEHN Cc1ccc(C)c(OCCCn2cc(C(C)(C)N)nn2)c1 ZINC000070118334 412964689 /nfs/dbraw/zinc/96/46/89/412964689.db2.gz CHZFIPVBCDSSOD-UHFFFAOYSA-N 0 3 288.395 2.558 10 0 CFAEHN C[C@H]1CCC[C@@H](Oc2nc3c(cc2CN)CCC3)C1 ZINC000043405935 184558431 /nfs/dbraw/zinc/55/84/31/184558431.db2.gz JXAMVQLVQOKQOM-SMDDNHRTSA-N 0 3 260.381 2.987 10 0 CFAEHN CC[C@@](C)(O)CN1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000382644615 382534674 /nfs/dbraw/zinc/53/46/74/382534674.db2.gz IDUCJIUSEKIMPK-GOSISDBHSA-N 0 3 290.451 2.744 10 0 CFAEHN C[C@H](N[C@H](CO)C1CCCCC1)c1cncs1 ZINC000386195678 382584684 /nfs/dbraw/zinc/58/46/84/382584684.db2.gz DYVLOKFNTDURKC-CMPLNLGQSA-N 0 3 254.399 2.735 10 0 CFAEHN C[C@@H]1C(=O)NCCCN1CCCc1cccc2ccccc21 ZINC000189297220 382585600 /nfs/dbraw/zinc/58/56/00/382585600.db2.gz BJJHRTHTYRYSNV-OAHLLOKOSA-N 0 3 296.414 2.983 10 0 CFAEHN C[C@H]1CN2CCCC[C@H]2CN1Cc1ccc(Cl)o1 ZINC000353700679 382610048 /nfs/dbraw/zinc/61/00/48/382610048.db2.gz XQEZCRAMWNOHRI-RYUDHWBXSA-N 0 3 268.788 2.992 10 0 CFAEHN Cc1ccc([C@H](C)NC(=O)N(C)CC2(N(C)C)CCC2)o1 ZINC000189697154 382636076 /nfs/dbraw/zinc/63/60/76/382636076.db2.gz QDPZRLLPEMBKKL-ZDUSSCGKSA-N 0 3 293.411 2.775 10 0 CFAEHN CC(C)(C)OC[C@@H](O)CN1CC2(CCCC2)OC(C)(C)C1 ZINC000190958112 382686553 /nfs/dbraw/zinc/68/65/53/382686553.db2.gz QKNTYBVUUICLDL-AWEZNQCLSA-N 0 3 299.455 2.586 10 0 CFAEHN CC[C@H](C)CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000191366560 382699179 /nfs/dbraw/zinc/69/91/79/382699179.db2.gz KXBGVGYLAIFPMH-ZFWWWQNUSA-N 0 3 262.397 2.842 10 0 CFAEHN CCCCOC[C@@H](O)CN[C@H](C)c1ccc(C)cc1 ZINC000193242185 382717323 /nfs/dbraw/zinc/71/73/23/382717323.db2.gz VGPPFHDMLOGLLX-ZBFHGGJFSA-N 0 3 265.397 2.823 10 0 CFAEHN CCn1nc(C)c([C@H](C)NC[C@@](C)(OC)C2CC2)c1C ZINC000336837665 382730533 /nfs/dbraw/zinc/73/05/33/382730533.db2.gz MEOQZCXZXDOYHL-MEDUHNTESA-N 0 3 279.428 2.986 10 0 CFAEHN C[C@@H](CN[C@@H]1CCCn2ncnc21)c1ccccc1 ZINC000191105037 382691335 /nfs/dbraw/zinc/69/13/35/382691335.db2.gz BTBWHIKXWQUIPV-GXTWGEPZSA-N 0 3 256.353 2.506 10 0 CFAEHN CCCCOC[C@H](O)CN(C)[C@@H](C)c1cccc(O)c1 ZINC000195188112 382763498 /nfs/dbraw/zinc/76/34/98/382763498.db2.gz CBRNWNIXFBPLDY-XJKSGUPXSA-N 0 3 281.396 2.563 10 0 CFAEHN NCc1cc(C=O)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000575340065 382759533 /nfs/dbraw/zinc/75/95/33/382759533.db2.gz OFEILZWRLXIPQT-UHFFFAOYSA-N 0 3 271.160 2.995 10 0 CFAEHN COc1cc(NC(=O)[C@@]2(C)CCCCN2)ccc1Cl ZINC000232201221 382867825 /nfs/dbraw/zinc/86/78/25/382867825.db2.gz VKVWKHICXSUOAU-CQSZACIVSA-N 0 3 282.771 2.819 10 0 CFAEHN CCC[C@@H](N)C(=O)N[C@H](C)CCC1CCCCC1 ZINC000236992836 382942468 /nfs/dbraw/zinc/94/24/68/382942468.db2.gz NGGTUPMRZIAAKI-TZMCWYRMSA-N 0 3 254.418 2.979 10 0 CFAEHN CCC[C@H](N)C(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000236789855 382917842 /nfs/dbraw/zinc/91/78/42/382917842.db2.gz WLGJQBSWWWMIKW-HIFRSBDPSA-N 0 3 262.397 2.512 10 0 CFAEHN CCC[C@H](N)C(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000236935500 382933224 /nfs/dbraw/zinc/93/32/24/382933224.db2.gz UCLWBFNWSGQIGC-NSHDSACASA-N 0 3 286.322 2.705 10 0 CFAEHN CC[C@H](C)[C@H](C)NC(=O)N(C)C[C@H]1CCCN1CC ZINC000245423100 383000198 /nfs/dbraw/zinc/00/01/98/383000198.db2.gz QLYJHZRKMAMVIE-MELADBBJSA-N 0 3 269.433 2.547 10 0 CFAEHN 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CC1(C)C[C@@H](N)c2ccc(OCCn3ccnc3)cc2O1 ZINC000043460189 175050803 /nfs/dbraw/zinc/05/08/03/175050803.db2.gz QEFZCCRCFMNWGB-CQSZACIVSA-N 0 3 287.363 2.523 10 0 CFAEHN CCC[C@](C)(N)c1nc2cc(Br)cnc2[nH]1 ZINC000043460921 175051719 /nfs/dbraw/zinc/05/17/19/175051719.db2.gz GNEAGJNLSWQFNU-NSHDSACASA-N 0 3 283.173 2.694 10 0 CFAEHN CCCC[C@H](N)c1nc2cc(Br)cnc2[nH]1 ZINC000043460913 175051803 /nfs/dbraw/zinc/05/18/03/175051803.db2.gz FLYUUMYYQOOIBJ-QMMMGPOBSA-N 0 3 283.173 2.910 10 0 CFAEHN CCCC[C@H]([NH3+])c1nc2cc(Br)cnc2[n-]1 ZINC000043460913 175051805 /nfs/dbraw/zinc/05/18/05/175051805.db2.gz FLYUUMYYQOOIBJ-QMMMGPOBSA-N 0 3 283.173 2.910 10 0 CFAEHN CCN[C@@H](CCOc1ccccc1)c1cnn(C)c1 ZINC000043462172 175052236 /nfs/dbraw/zinc/05/22/36/175052236.db2.gz DOUOYIFBGJSGCR-HNNXBMFYSA-N 0 3 259.353 2.540 10 0 CFAEHN CCN[C@@H](c1cnn(CC)c1)c1cccc(OC)c1 ZINC000043468846 175053385 /nfs/dbraw/zinc/05/33/85/175053385.db2.gz HWDCYHFXSXYDMH-OAHLLOKOSA-N 0 3 259.353 2.611 10 0 CFAEHN 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ZINC000043612890 175079150 /nfs/dbraw/zinc/07/91/50/175079150.db2.gz UELKVWLSZWMIEW-SNVBAGLBSA-N 0 3 255.745 2.629 10 0 CFAEHN CCOC(=O)C[C@@H](C)N[C@H](C)c1cccc(NC(C)=O)c1 ZINC000043618117 175080267 /nfs/dbraw/zinc/08/02/67/175080267.db2.gz NKFJNGMPBRUFDM-VXGBXAGGSA-N 0 3 292.379 2.637 10 0 CFAEHN CCOc1cccc(CNC(C)C)c1O[C@@H](C)C(=O)OC ZINC000043624545 175081659 /nfs/dbraw/zinc/08/16/59/175081659.db2.gz PXWMKYQXGWIWTH-LBPRGKRZSA-N 0 3 295.379 2.524 10 0 CFAEHN CCN[C@@H]1c2cc(Br)ccc2O[C@@H]1C ZINC000043635079 175083057 /nfs/dbraw/zinc/08/30/57/175083057.db2.gz VYJAMUQVAFAEPX-HQJQHLMTSA-N 0 3 256.143 2.881 10 0 CFAEHN CCCN[C@H]1c2cc3c(cc2[S@@](=O)[C@@H]1C)CCC3 ZINC000043637022 175083675 /nfs/dbraw/zinc/08/36/75/175083675.db2.gz QBZXYFLIKDURQW-QEIWDELWSA-N 0 3 263.406 2.726 10 0 CFAEHN CCCN[C@@H]1c2cc(C)c(C)cc2[S@](=O)[C@@H]1C ZINC000043636967 175083905 /nfs/dbraw/zinc/08/39/05/175083905.db2.gz PYDLCKBLRWEWHM-WHCBVINPSA-N 0 3 251.395 2.854 10 0 CFAEHN CCN[C@H](CN(CC)CC)c1ccccc1OC 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/nfs/dbraw/zinc/13/51/32/175135132.db2.gz ULZAOSUYZORMCD-MRXNPFEDSA-N 0 3 270.376 2.762 10 0 CFAEHN CCCN[C@@H](Cn1cccn1)c1ccc(OC)cc1 ZINC000043988741 175135373 /nfs/dbraw/zinc/13/53/73/175135373.db2.gz SQPIUBIDKCMFEH-HNNXBMFYSA-N 0 3 259.353 2.633 10 0 CFAEHN CN[C@H](Cn1cccnc1=O)c1ccc(C(C)(C)C)cc1 ZINC000043987256 175135429 /nfs/dbraw/zinc/13/54/29/175135429.db2.gz YLTSGBGHKMQION-OAHLLOKOSA-N 0 3 285.391 2.502 10 0 CFAEHN CCCN[C@@H](c1ccc(OC)cc1)[C@@H](C)n1cncn1 ZINC000043990114 175135688 /nfs/dbraw/zinc/13/56/88/175135688.db2.gz KFNYLXXTUVFZCB-IUODEOHRSA-N 0 3 274.368 2.589 10 0 CFAEHN CN[C@H](c1ccccc1)[C@H](c1ccccc1)n1cncn1 ZINC000043991195 175135775 /nfs/dbraw/zinc/13/57/75/175135775.db2.gz YTERPNVFCIOCBB-SJORKVTESA-N 0 3 278.359 2.828 10 0 CFAEHN CN[C@@H](CN1CCCCCCC1=O)c1ccccc1 ZINC000043997135 175137133 /nfs/dbraw/zinc/13/71/33/175137133.db2.gz PLOGPBVIVPVWMV-HNNXBMFYSA-N 0 3 260.381 2.740 10 0 CFAEHN CCc1ccc([C@H](CN2CCCCCC2=O)NC)cc1 ZINC000043996581 175137194 /nfs/dbraw/zinc/13/71/94/175137194.db2.gz BGJQMBWTHNPJRV-INIZCTEOSA-N 0 3 274.408 2.912 10 0 CFAEHN CCN[C@@H](CN1CCCCCC1=O)c1ccc(OC)cc1 ZINC000043996477 175137254 /nfs/dbraw/zinc/13/72/54/175137254.db2.gz XAXQZXWBDHLGOI-INIZCTEOSA-N 0 3 290.407 2.748 10 0 CFAEHN CN[C@@H](CN1C(=O)CCCC1=O)c1ccc(C(C)C)cc1 ZINC000043999084 175137427 /nfs/dbraw/zinc/13/74/27/175137427.db2.gz PIZUNBSCUPZQBB-HNNXBMFYSA-N 0 3 288.391 2.610 10 0 CFAEHN CN[C@H](Cn1c(C)cccc1=O)c1ccc(C)cc1C ZINC000043999371 175137990 /nfs/dbraw/zinc/13/79/90/175137990.db2.gz LQCOLSAZSXISPO-MRXNPFEDSA-N 0 3 270.376 2.734 10 0 CFAEHN CCCN[C@H](Cn1cnc(C)cc1=O)c1ccc(C)cc1 ZINC000044000463 175138101 /nfs/dbraw/zinc/13/81/01/175138101.db2.gz FGAHWXUKPHZUOL-MRXNPFEDSA-N 0 3 285.391 2.601 10 0 CFAEHN CCCN[C@@H]1c2ccccc2C[C@@H]1n1nc(C)nc1C ZINC000044034811 175139148 /nfs/dbraw/zinc/13/91/48/175139148.db2.gz SHAHELCTIVABKL-JKSUJKDBSA-N 0 3 270.380 2.733 10 0 CFAEHN CCCN[C@H](Cn1nc(C)nc1C)c1ccc(OC)cc1 ZINC000044034807 175139286 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CC[C@@H](C)NC(=O)CCN[C@H]1CCCc2cc(O)ccc21 ZINC000044747410 175243200 /nfs/dbraw/zinc/24/32/00/175243200.db2.gz QGOMSNBTFFNAGN-WBMJQRKESA-N 0 3 290.407 2.664 10 0 CFAEHN Cc1ccc(NC(=O)[C@H](CN)Cc2ccccc2)cc1F ZINC000044794611 175254465 /nfs/dbraw/zinc/25/44/65/175254465.db2.gz GFENFYDJRBAPDX-AWEZNQCLSA-N 0 3 286.350 2.890 10 0 CFAEHN CC[C@H](NCCC(=O)NC)c1ccc(Br)cc1 ZINC000044987643 175285157 /nfs/dbraw/zinc/28/51/57/175285157.db2.gz VCGHKFJBMPLMES-LBPRGKRZSA-N 0 3 299.212 2.626 10 0 CFAEHN CCCN[C@@](C)(CCOC)c1nc2c(s1)CCC2 ZINC000045044705 175295634 /nfs/dbraw/zinc/29/56/34/175295634.db2.gz VVXUUMNTUZHSPK-AWEZNQCLSA-N 0 3 268.426 2.883 10 0 CFAEHN CC(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H](C)N2)cc1 ZINC000045047137 175296454 /nfs/dbraw/zinc/29/64/54/175296454.db2.gz SBDGGBYTGOQBPQ-CZUORRHYSA-N 0 3 274.408 2.957 10 0 CFAEHN CN(CC(N)=S)Cc1ccc(C(C)(C)C)cc1 ZINC000045062933 175298795 /nfs/dbraw/zinc/29/87/95/175298795.db2.gz OQDICKLNXVKRGE-UHFFFAOYSA-N 0 3 250.411 2.702 10 0 CFAEHN 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CCn1nc(C)c([C@@H](C)N[C@@H](C)[C@@H]2CCCO2)c1C ZINC000045168974 175320136 /nfs/dbraw/zinc/32/01/36/175320136.db2.gz RFZWKWCUSDELQK-WDMOLILDSA-N 0 3 265.401 2.738 10 0 CFAEHN CCCN[C@](C)(CN1[C@H](C)CCC[C@@H]1C)C(=O)OCC ZINC000045231798 175335678 /nfs/dbraw/zinc/33/56/78/175335678.db2.gz OHTDACHCEJYPEG-IJEWVQPXSA-N 0 3 284.444 2.571 10 0 CFAEHN CCCCCN(C)C[C@@](N)(C(=O)OCC)c1ccccc1 ZINC000045268068 175339651 /nfs/dbraw/zinc/33/96/51/175339651.db2.gz YXEDNLAHSVCGND-KRWDZBQOSA-N 0 3 292.423 2.526 10 0 CFAEHN CC(C)[NH2+][C@@](C)(CCN(C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274780 175345066 /nfs/dbraw/zinc/34/50/66/175345066.db2.gz ARPFXOLUZHMWAK-WFASDCNBSA-N 0 3 272.433 2.584 10 0 CFAEHN CC(C)N[C@@](C)(CC[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274780 175345067 /nfs/dbraw/zinc/34/50/67/175345067.db2.gz ARPFXOLUZHMWAK-WFASDCNBSA-N 0 3 272.433 2.584 10 0 CFAEHN CC(C)N[C@@](C)(CC[N@@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000045274780 175345069 /nfs/dbraw/zinc/34/50/69/175345069.db2.gz 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/nfs/dbraw/zinc/02/10/50/175021050.db2.gz BLJDVRKEHRTGAG-MRXNPFEDSA-N 0 3 255.365 2.522 10 0 CFAEHN NC[C@@H](Oc1ccc(F)cc1Cl)c1ccncc1 ZINC000043356263 175023676 /nfs/dbraw/zinc/02/36/76/175023676.db2.gz JGRWPSDALIHXNH-CYBMUJFWSA-N 0 3 266.703 2.953 10 0 CFAEHN Cc1ccc([C@H]([C@H](C)N)N(C)Cc2ccccn2)o1 ZINC000043364211 175025108 /nfs/dbraw/zinc/02/51/08/175025108.db2.gz DKDYCKGRZSWEQY-WFASDCNBSA-N 0 3 259.353 2.503 10 0 CFAEHN CCN(Cc1ccncc1)[C@@H](c1ccc(C)o1)[C@@H](C)N ZINC000043364878 175025809 /nfs/dbraw/zinc/02/58/09/175025809.db2.gz HMEPLUBLKFVDCW-CZUORRHYSA-N 0 3 273.380 2.893 10 0 CFAEHN O[C@@H]1CCC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC000043389721 175033468 /nfs/dbraw/zinc/03/34/68/175033468.db2.gz OPHWNIXHBBTIQU-WDEREUQCSA-N 0 3 257.736 2.872 10 0 CFAEHN Cc1ccc(CN)c(N(C)Cc2ccccc2F)n1 ZINC000043395674 175035442 /nfs/dbraw/zinc/03/54/42/175035442.db2.gz PKRFUWRDICMRRT-UHFFFAOYSA-N 0 3 259.328 2.624 10 0 CFAEHN Cc1ccc(CN)c(N2CCC[C@@H]2c2ccncc2)n1 ZINC000043395709 175035533 /nfs/dbraw/zinc/03/55/33/175035533.db2.gz XUSCNCACEXXHAF-OAHLLOKOSA-N 0 3 268.364 2.585 10 0 CFAEHN COc1ccc(OCc2ccccc2OC)c(CN)c1 ZINC000043457095 175050217 /nfs/dbraw/zinc/05/02/17/175050217.db2.gz ABGBKVMAXZENQL-UHFFFAOYSA-N 0 3 273.332 2.742 10 0 CFAEHN CCN[C@@H]1CC(C)(C)Oc2cc(OCCCO)ccc21 ZINC000043460434 175050921 /nfs/dbraw/zinc/05/09/21/175050921.db2.gz KOPOFUIBWSLOLW-CQSZACIVSA-N 0 3 279.380 2.660 10 0 CFAEHN CC1(C)C[C@H](N)c2ccc(OC[C@H]3CCOC3)cc2O1 ZINC000043460226 175051052 /nfs/dbraw/zinc/05/10/52/175051052.db2.gz GOHYPUKLACROBK-FZMZJTMJSA-N 0 3 277.364 2.663 10 0 CFAEHN CCN[C@@H](Cc1cc(F)cc(F)c1)c1cnn(C)c1 ZINC000043462390 175051996 /nfs/dbraw/zinc/05/19/96/175051996.db2.gz CBTMHYFJHCXODH-AWEZNQCLSA-N 0 3 265.307 2.592 10 0 CFAEHN CN[C@H](Cc1cccc(Br)c1)c1cnn(C)c1 ZINC000043462306 175052032 /nfs/dbraw/zinc/05/20/32/175052032.db2.gz PPMDWAMCEFEQKM-CYBMUJFWSA-N 0 3 294.196 2.686 10 0 CFAEHN CCN[C@H](c1cnn(CC)c1)c1cccc(OC)c1 ZINC000043468844 175053408 /nfs/dbraw/zinc/05/34/08/175053408.db2.gz HWDCYHFXSXYDMH-HNNXBMFYSA-N 0 3 259.353 2.611 10 0 CFAEHN CCCn1cc([C@@H](N)c2cc(F)cc(F)c2)cn1 ZINC000043470418 175053768 /nfs/dbraw/zinc/05/37/68/175053768.db2.gz MZKGCXCZJGXNMK-ZDUSSCGKSA-N 0 3 251.280 2.619 10 0 CFAEHN COCCCOC[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000043513097 175061583 /nfs/dbraw/zinc/06/15/83/175061583.db2.gz BPHHRAJSPRZTQS-GFCCVEGCSA-N 0 3 277.286 2.758 10 0 CFAEHN CCOC(=O)C[C@@H](C)NCc1cccc(OCC)c1 ZINC000043618045 175080043 /nfs/dbraw/zinc/08/00/43/175080043.db2.gz QPNZZVHLIXUZKX-GFCCVEGCSA-N 0 3 265.353 2.517 10 0 CFAEHN CCCN[C@@H]1c2cccc(Cl)c2[S@](=O)[C@@H]1C ZINC000043636828 175083573 /nfs/dbraw/zinc/08/35/73/175083573.db2.gz QJXAOGBZOBGCGE-OGOZKOCGSA-N 0 3 257.786 2.890 10 0 CFAEHN C[C@@H](O)c1nc2cc([C@H](N)c3ccccc3)ccc2[nH]1 ZINC000043647189 175085115 /nfs/dbraw/zinc/08/51/15/175085115.db2.gz RIGKYCBSGGAGKP-MEBBXXQBSA-N 0 3 267.332 2.664 10 0 CFAEHN C[C@@H](O)c1nc2ccc([C@H](N)c3ccccc3)cc2[nH]1 ZINC000043647189 175085116 /nfs/dbraw/zinc/08/51/16/175085116.db2.gz RIGKYCBSGGAGKP-MEBBXXQBSA-N 0 3 267.332 2.664 10 0 CFAEHN CCN(CC)C[C@@H](NC)c1cc(C)ccc1OC ZINC000043809029 175109528 /nfs/dbraw/zinc/10/95/28/175109528.db2.gz VPFHPFXZNZTXTP-CQSZACIVSA-N 0 3 250.386 2.606 10 0 CFAEHN CN[C@@H](CN1CCCC[C@@H]1C)c1cc(OC)ccc1OC ZINC000043809842 175109778 /nfs/dbraw/zinc/10/97/78/175109778.db2.gz BDCCYIAYHJTUDU-BBRMVZONSA-N 0 3 292.423 2.839 10 0 CFAEHN CN[C@H]1c2ccccc2OC[C@@H]1N1CCCCCC1 ZINC000043812106 175110656 /nfs/dbraw/zinc/11/06/56/175110656.db2.gz AVXYJIAGVUYITG-HOCLYGCPSA-N 0 3 260.381 2.584 10 0 CFAEHN CN[C@H](CN1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000043812046 175111090 /nfs/dbraw/zinc/11/10/90/175111090.db2.gz RWZJBUFIZKZERN-CQSZACIVSA-N 0 3 276.380 2.552 10 0 CFAEHN CCCN(CCC)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043814719 175111715 /nfs/dbraw/zinc/11/17/15/175111715.db2.gz NWHCEIOYYYBTML-ZBFHGGJFSA-N 0 3 262.397 2.830 10 0 CFAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N1CCCCC1 ZINC000043814351 175111863 /nfs/dbraw/zinc/11/18/63/175111863.db2.gz LMGOYLFUWHVBFS-HOCLYGCPSA-N 0 3 260.381 2.584 10 0 CFAEHN CCCCN(C)C[C@@H](NC)c1ccc(OC)cc1OC ZINC000043816668 175112451 /nfs/dbraw/zinc/11/24/51/175112451.db2.gz IPSGBFYFEJQOGV-OAHLLOKOSA-N 0 3 280.412 2.696 10 0 CFAEHN CCCN[C@H](CN(C)C)c1cc(C)ccc1OC ZINC000043816277 175112601 /nfs/dbraw/zinc/11/26/01/175112601.db2.gz DDIDUUFPDSIQPZ-CQSZACIVSA-N 0 3 250.386 2.606 10 0 CFAEHN CCN(C)C[C@@H](NC)c1cccc(C(F)(F)F)c1 ZINC000043819956 175113889 /nfs/dbraw/zinc/11/38/89/175113889.db2.gz NWJFYJZLXOVYNT-GFCCVEGCSA-N 0 3 260.303 2.918 10 0 CFAEHN CCN[C@@H]1c2ccccc2OC[C@@H]1N(CC)C1CC1 ZINC000043821961 175114684 /nfs/dbraw/zinc/11/46/84/175114684.db2.gz UYNRTRCVQDBXHG-GOEBONIOSA-N 0 3 260.381 2.583 10 0 CFAEHN CCN(C[C@@H](NC)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000043821463 175114834 /nfs/dbraw/zinc/11/48/34/175114834.db2.gz RFRISHYAPJKOSE-OAHLLOKOSA-N 0 3 290.407 2.593 10 0 CFAEHN CCN[C@H]1c2ccccc2OC[C@H]1N(CC)C(C)C ZINC000043882950 175116256 /nfs/dbraw/zinc/11/62/56/175116256.db2.gz NVCLOOFYSIKFED-ZBFHGGJFSA-N 0 3 262.397 2.829 10 0 CFAEHN CCCN(CC)C[C@H](NC)c1ccc(OC)cc1OC ZINC000043884292 175116800 /nfs/dbraw/zinc/11/68/00/175116800.db2.gz LRPMRCHSQZLYNY-HNNXBMFYSA-N 0 3 280.412 2.696 10 0 CFAEHN CCN[C@H]1c2ccccc2OC[C@@H]1N(C)C1CCCC1 ZINC000043884074 175117101 /nfs/dbraw/zinc/11/71/01/175117101.db2.gz DVWDVKPGFBRWKA-RDJZCZTQSA-N 0 3 274.408 2.973 10 0 CFAEHN CN[C@H](CN(C)CC(C)C)c1ccc(OC)cc1OC ZINC000043886498 175117131 /nfs/dbraw/zinc/11/71/31/175117131.db2.gz DXDAOEZTXIRCBF-OAHLLOKOSA-N 0 3 280.412 2.552 10 0 CFAEHN CCCN(C[C@@H](NC)c1ccc2c(c1)OCCO2)C1CC1 ZINC000043885406 175117142 /nfs/dbraw/zinc/11/71/42/175117142.db2.gz OJHXCJNYXSCSBK-OAHLLOKOSA-N 0 3 290.407 2.593 10 0 CFAEHN CCCN(C[C@@H](NC)c1ccc(OC)c(OC)c1)C1CC1 ZINC000043885464 175117232 /nfs/dbraw/zinc/11/72/32/175117232.db2.gz QPTMUIVGLYUBHI-OAHLLOKOSA-N 0 3 292.423 2.839 10 0 CFAEHN CCCN(C[C@H](NC)c1ccc(OC)cc1OC)C1CC1 ZINC000043885333 175117239 /nfs/dbraw/zinc/11/72/39/175117239.db2.gz FRCBUUGNQAYHIT-INIZCTEOSA-N 0 3 292.423 2.839 10 0 CFAEHN CN[C@H](CN1CCC(OC)CC1)c1cc2ccccc2o1 ZINC000043890084 175117504 /nfs/dbraw/zinc/11/75/04/175117504.db2.gz CYHBOPYIRMMMGB-OAHLLOKOSA-N 0 3 288.391 2.804 10 0 CFAEHN CCN(CC(C)C)C[C@H](NC)c1ccccc1OC ZINC000043887880 175117763 /nfs/dbraw/zinc/11/77/63/175117763.db2.gz JJEJVOOTNXXWRY-HNNXBMFYSA-N 0 3 264.413 2.934 10 0 CFAEHN CCN[C@H](CN(C)CC(C)C)c1ccccc1OC ZINC000043886781 175117826 /nfs/dbraw/zinc/11/78/26/175117826.db2.gz IGYLJKIDOKQWJM-OAHLLOKOSA-N 0 3 264.413 2.934 10 0 CFAEHN CCC[C@H](C)N(C)[C@@H]1COc2ccccc2[C@@H]1NC ZINC000043896373 175119495 /nfs/dbraw/zinc/11/94/95/175119495.db2.gz ZDLPDTQPRNKOJF-BJJXKVORSA-N 0 3 262.397 2.829 10 0 CFAEHN CCN[C@@H]1c2ccccc2OC[C@H]1N(C)CC(F)(F)F ZINC000043901276 175121890 /nfs/dbraw/zinc/12/18/90/175121890.db2.gz MPKSKMQDNUQPCV-DGCLKSJQSA-N 0 3 288.313 2.592 10 0 CFAEHN CCC1CCN([C@@H]2COc3ccccc3[C@H]2NC)CC1 ZINC000043913276 175124416 /nfs/dbraw/zinc/12/44/16/175124416.db2.gz YSYGCZUHAMBEGZ-NVXWUHKLSA-N 0 3 274.408 2.830 10 0 CFAEHN CCN[C@@H](CN(C)[C@@H](C)COC)c1cc(C)ccc1OC ZINC000043969273 175130393 /nfs/dbraw/zinc/13/03/93/175130393.db2.gz MWZKQDOWWHMELV-HOCLYGCPSA-N 0 3 294.439 2.621 10 0 CFAEHN CCN(C[C@@H](NC)c1cccc(OC)c1)CC(F)(F)F ZINC000043979707 175133212 /nfs/dbraw/zinc/13/32/12/175133212.db2.gz WEIPYMLJRITVOS-CYBMUJFWSA-N 0 3 290.329 2.840 10 0 CFAEHN CCN[C@@H](Cn1c(C)cc(C)nc1=O)c1ccccc1C ZINC000043986774 175134833 /nfs/dbraw/zinc/13/48/33/175134833.db2.gz PEPZHMQBCIVANU-INIZCTEOSA-N 0 3 285.391 2.519 10 0 CFAEHN CN[C@H](Cn1cccn1)c1cccc(C(F)(F)F)c1 ZINC000043989752 175135305 /nfs/dbraw/zinc/13/53/05/175135305.db2.gz XXMZODGSICNOSU-GFCCVEGCSA-N 0 3 269.270 2.863 10 0 CFAEHN CCN[C@@H](Cn1ccnc1)c1ccc(OCC)cc1 ZINC000043993000 175135719 /nfs/dbraw/zinc/13/57/19/175135719.db2.gz ODDKQBAIZORUFL-HNNXBMFYSA-N 0 3 259.353 2.633 10 0 CFAEHN CCN[C@H](Cn1cncn1)c1c(C)cc(C)cc1C ZINC000043991664 175135795 /nfs/dbraw/zinc/13/57/95/175135795.db2.gz SXHHSHAERWLWMY-CQSZACIVSA-N 0 3 258.369 2.554 10 0 CFAEHN CN[C@@H]1c2ccc(OC)cc2CC[C@@H]1n1nc(C)cc1C ZINC000043994872 175136469 /nfs/dbraw/zinc/13/64/69/175136469.db2.gz IWZSYTDNFNGSCR-DLBZAZTESA-N 0 3 285.391 2.957 10 0 CFAEHN CN[C@H]1c2ccccc2CC[C@@H]1n1nc(C)cc1C ZINC000043994876 175136574 /nfs/dbraw/zinc/13/65/74/175136574.db2.gz QFLZVDGMSASZBJ-HOTGVXAUSA-N 0 3 255.365 2.948 10 0 CFAEHN CCCN[C@@H](CN1CCOC1=O)c1ccc(CC)cc1 ZINC000043998127 175136922 /nfs/dbraw/zinc/13/69/22/175136922.db2.gz RTOHTOQILXSWDV-HNNXBMFYSA-N 0 3 276.380 2.742 10 0 CFAEHN CN[C@@H]1c2ccccc2OC[C@@H]1n1ccnc1C(C)C ZINC000043997542 175137099 /nfs/dbraw/zinc/13/70/99/175137099.db2.gz WRDQQCZQYGEOTC-DZGCQCFKSA-N 0 3 271.364 2.901 10 0 CFAEHN CN[C@@H](CN1CCCCCC1=O)c1ccc(C)c(C)c1 ZINC000043996575 175137274 /nfs/dbraw/zinc/13/72/74/175137274.db2.gz ISBZMMLJCQGSLE-INIZCTEOSA-N 0 3 274.408 2.967 10 0 CFAEHN CN[C@@H](CN1CCCCCC1=O)c1ccc(C)cc1 ZINC000043996509 175137281 /nfs/dbraw/zinc/13/72/81/175137281.db2.gz DTDYIZKGLPJOPN-HNNXBMFYSA-N 0 3 260.381 2.658 10 0 CFAEHN CN[C@H](Cn1ccnc1C(C)C)c1ccc(OC)cc1 ZINC000043997948 175137303 /nfs/dbraw/zinc/13/73/03/175137303.db2.gz IZCZTJGGBTVCIS-OAHLLOKOSA-N 0 3 273.380 2.976 10 0 CFAEHN CCCN[C@H](CN1CCCCC1=O)c1ccccc1 ZINC000043998722 175137644 /nfs/dbraw/zinc/13/76/44/175137644.db2.gz WDLRGDILESGDTC-OAHLLOKOSA-N 0 3 260.381 2.740 10 0 CFAEHN CCCc1ccc([C@@H](CN2CCCCC2=O)NC)cc1 ZINC000043998896 175137665 /nfs/dbraw/zinc/13/76/65/175137665.db2.gz GRZSAIGSEACSSI-MRXNPFEDSA-N 0 3 274.408 2.912 10 0 CFAEHN CCN[C@@H](CN1CCCCC1=O)c1ccccc1OCC ZINC000043998809 175137744 /nfs/dbraw/zinc/13/77/44/175137744.db2.gz JEHJQBIRTPLBPJ-HNNXBMFYSA-N 0 3 290.407 2.748 10 0 CFAEHN CN[C@@H](Cn1c(C)cccc1=O)c1cc(C)ccc1C ZINC000043999379 175138152 /nfs/dbraw/zinc/13/81/52/175138152.db2.gz FLAWHTZPFXIUBO-INIZCTEOSA-N 0 3 270.376 2.734 10 0 CFAEHN CN[C@H](Cn1nc(C)c(C)c1C)c1cccc(OC)c1 ZINC000044033045 175138786 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Cc1cc(C(=O)N(C)[C@H](CN)C(F)(F)F)ccc1Cl ZINC000662978805 414640827 /nfs/dbraw/zinc/64/08/27/414640827.db2.gz SEUWACBXBMLIPL-SNVBAGLBSA-N 0 3 294.704 2.610 10 0 CFAEHN CC(C)CN[C@@H](CO)c1ccccc1OC(F)F ZINC000038122101 174129344 /nfs/dbraw/zinc/12/93/44/174129344.db2.gz RTOAIEAZXZBXGY-NSHDSACASA-N 0 3 259.296 2.567 10 0 CFAEHN C[C@H](NC(=O)CNC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000040415380 174255688 /nfs/dbraw/zinc/25/56/88/174255688.db2.gz ZZKUIYBZYGECFM-QMMMGPOBSA-N 0 3 287.190 2.923 10 0 CFAEHN CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000040461941 174270880 /nfs/dbraw/zinc/27/08/80/174270880.db2.gz RQYHDLXDKUMISU-DGAVXFQQSA-N 0 3 252.402 2.541 10 0 CFAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000040467187 174275291 /nfs/dbraw/zinc/27/52/91/174275291.db2.gz VVRUQSKOXMCKKT-WDMOLILDSA-N 0 3 266.360 2.719 10 0 CFAEHN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000040469131 174277315 /nfs/dbraw/zinc/27/73/15/174277315.db2.gz VZJNOWCHSYLCLK-BXKDBHETSA-N 0 3 266.410 2.567 10 0 CFAEHN CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H](C)c1ccccc1OC ZINC000040490635 174291776 /nfs/dbraw/zinc/29/17/76/174291776.db2.gz DNZGARSABMRLCJ-JMSVASOKSA-N 0 3 278.396 2.588 10 0 CFAEHN CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000040490612 174291910 /nfs/dbraw/zinc/29/19/10/174291910.db2.gz VVRUQSKOXMCKKT-GYSYKLTISA-N 0 3 266.360 2.719 10 0 CFAEHN CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000040490606 174292017 /nfs/dbraw/zinc/29/20/17/174292017.db2.gz HMANCZJZNMDYJE-RCBQFDQVSA-N 0 3 274.408 2.896 10 0 CFAEHN CCN1CCC[C@H](N[C@@H]2CCOc3ccc(OC)cc32)C1 ZINC000040502935 174298596 /nfs/dbraw/zinc/29/85/96/174298596.db2.gz FMVSKXLGKMDRMO-XJKSGUPXSA-N 0 3 290.407 2.593 10 0 CFAEHN CCN(CC)[C@H](CNC(=O)N(C)C)c1ccc(C)cc1 ZINC000040615396 174354156 /nfs/dbraw/zinc/35/41/56/174354156.db2.gz UNJSBAVGTOUUFQ-OAHLLOKOSA-N 0 3 277.412 2.649 10 0 CFAEHN Cc1n[nH]c(C)c1CNCc1cc2c(s1)CCC2 ZINC000040626172 174356179 /nfs/dbraw/zinc/35/61/79/174356179.db2.gz OSIZNRJCTXMCEN-UHFFFAOYSA-N 0 3 261.394 2.867 10 0 CFAEHN C[C@H](NCc1cc2c(s1)CCC2)C(=O)N1CCCCC1 ZINC000040627317 174356927 /nfs/dbraw/zinc/35/69/27/174356927.db2.gz ZWKZMHKARNHSNG-LBPRGKRZSA-N 0 3 292.448 2.727 10 0 CFAEHN CN(C)CCNC(=O)[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000040652186 174364969 /nfs/dbraw/zinc/36/49/69/174364969.db2.gz WCXCVKXPIQLCCD-AWEZNQCLSA-N 0 3 280.799 2.511 10 0 CFAEHN CC[C@H](N[C@@H]1CCCN(C)C1)c1ccccc1OC ZINC000040672881 174371451 /nfs/dbraw/zinc/37/14/51/174371451.db2.gz WOODHBCWASOWED-HIFRSBDPSA-N 0 3 262.397 2.830 10 0 CFAEHN CCOc1ccccc1[C@@H](CN)N1CCC(OCC)CC1 ZINC000040689131 174375928 /nfs/dbraw/zinc/37/59/28/174375928.db2.gz ICPLPXNLAOSWBW-MRXNPFEDSA-N 0 3 292.423 2.586 10 0 CFAEHN CN1CCC[C@@H](Nc2ccc(N)cc2C(F)(F)F)C1 ZINC000040715813 174382794 /nfs/dbraw/zinc/38/27/94/174382794.db2.gz ZXDGDDCSLZIGAJ-SNVBAGLBSA-N 0 3 273.302 2.794 10 0 CFAEHN CN1CCC[C@@H](n2c(N)nc3cc(Cl)ccc32)C1 ZINC000040715939 174383693 /nfs/dbraw/zinc/38/36/93/174383693.db2.gz GURSEGYZDXWWFL-SNVBAGLBSA-N 0 3 264.760 2.539 10 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