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C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(=O)c2ccsc2[nH]1 ZINC000008456648 201748904 /nfs/dbraw/zinc/74/89/04/201748904.db2.gz GWZQASHQBRMEHK-ONGXEEELSA-N 0 0 337.470 2.772 40 0 EFABRN Cc1cccc(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000008427982 201749053 /nfs/dbraw/zinc/74/90/53/201749053.db2.gz PNLOGGIHTHDHCJ-OAHLLOKOSA-N 0 0 336.395 2.832 40 0 EFABRN CCN(CC)C(=O)c1sc2[nH]c(-c3ccncc3)nc(=O)c2c1C ZINC000008578759 201753124 /nfs/dbraw/zinc/75/31/24/201753124.db2.gz IJRNDDBZHWMKIF-UHFFFAOYSA-N 0 0 342.424 2.837 40 0 EFABRN CC[C@H](C(=O)OCc1cc(=O)n2nc(C)sc2n1)c1ccccc1 ZINC000008605546 201755280 /nfs/dbraw/zinc/75/52/80/201755280.db2.gz ZSSZQJISUUOZJJ-AWEZNQCLSA-N 0 0 343.408 2.696 40 0 EFABRN O=C(CCc1cccnc1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000009680467 201784692 /nfs/dbraw/zinc/78/46/92/201784692.db2.gz XFRRXQWHFANEBW-UHFFFAOYSA-N 0 0 334.383 2.641 40 0 EFABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cccc(-n3cnnn3)c1)C2 ZINC000036389753 201786574 /nfs/dbraw/zinc/78/65/74/201786574.db2.gz 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CCOc1cc(C(=O)Nc2nnc(CC)s2)nn1-c1ccccc1 ZINC000072264687 202359062 /nfs/dbraw/zinc/35/90/62/202359062.db2.gz NIOJXGYUPAHSAU-UHFFFAOYSA-N 0 0 343.412 2.937 40 0 EFABRN CCCn1ccc(C(=O)N(C)Cc2ccc(Br)o2)n1 ZINC000072259994 202359712 /nfs/dbraw/zinc/35/97/12/202359712.db2.gz NANRCMSXTPYZRW-UHFFFAOYSA-N 0 0 326.194 2.921 40 0 EFABRN COc1cccc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)c1 ZINC000072322103 202363598 /nfs/dbraw/zinc/36/35/98/202363598.db2.gz ZZMTXNLCKKGPPW-SFHVURJKSA-N 0 0 343.427 2.638 40 0 biogenic,in-vitro EFABRN CC[C@@H]1CN(C(=O)Nc2cnn(Cc3ccccc3)c2)C[C@H](C)O1 ZINC000072542877 202364021 /nfs/dbraw/zinc/36/40/21/202364021.db2.gz OGJYUFSLOWAHPQ-WMLDXEAASA-N 0 0 328.416 2.963 40 0 EFABRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3ccccc3cc2C(N)=O)C1 ZINC000072397119 202364389 /nfs/dbraw/zinc/36/43/89/202364389.db2.gz QYGPKRVWSXWDOS-VHDGCEQUSA-N 0 0 337.423 2.696 40 0 EFABRN CN(C)c1cccc(C(=O)NCc2nccn2Cc2ccccc2)c1 ZINC000075179537 202372213 /nfs/dbraw/zinc/37/22/13/202372213.db2.gz 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333.432 2.709 40 0 EFABRN C[C@H](C(=O)NC(C)(C)C)[S@](=O)Cc1cccc(OC(F)F)c1 ZINC000078556353 202397399 /nfs/dbraw/zinc/39/73/99/202397399.db2.gz ZWNUMIYLZBMSNC-STFLBKPXSA-N 0 0 333.400 2.840 40 0 EFABRN CC(C)c1nc(C[S@@](=O)[C@@H](C)C(=O)NC2CCCC2)cs1 ZINC000078556326 202397479 /nfs/dbraw/zinc/39/74/79/202397479.db2.gz PSGHZDBZKMVOKU-MQJDWESPSA-N 0 0 328.503 2.963 40 0 EFABRN Cc1nccn1-c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000078556746 202397680 /nfs/dbraw/zinc/39/76/80/202397680.db2.gz ZIGGTCVEGKENIQ-FMIVXFBMSA-N 0 0 340.408 2.988 40 0 EFABRN Cn1ccc(C(=O)N[C@@H](COc2ccccc2)c2ccccc2)cc1=O ZINC000078659380 202398404 /nfs/dbraw/zinc/39/84/04/202398404.db2.gz DHPDXZYBDODFQI-IBGZPJMESA-N 0 0 348.402 2.935 40 0 EFABRN Cn1ccc(C(=O)N[C@H](COc2ccccc2)c2ccccc2)cc1=O ZINC000078659391 202398410 /nfs/dbraw/zinc/39/84/10/202398410.db2.gz DHPDXZYBDODFQI-LJQANCHMSA-N 0 0 348.402 2.935 40 0 EFABRN O=C(COC(=O)c1csc(CCc2ccccc2)n1)N1CCCC1 ZINC000078617615 202398721 /nfs/dbraw/zinc/39/87/21/202398721.db2.gz 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/nfs/dbraw/zinc/08/48/27/277084827.db2.gz IAVBWWLGBKCGKJ-LJQANCHMSA-N 0 0 337.423 2.774 40 0 EFABRN CC(=O)Oc1c(C)sc(=Nc2ccc(C(C)=O)cc2)n1C(C)=O ZINC000005375759 277094112 /nfs/dbraw/zinc/09/41/12/277094112.db2.gz BZMCBXUISVHCAA-MSUUIHNZSA-N 0 0 332.381 2.878 40 0 EFABRN CC(=O)c1c(C)[nH]c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1C ZINC000030029224 277101502 /nfs/dbraw/zinc/10/15/02/277101502.db2.gz UCNXFSHPASETFG-KRWDZBQOSA-N 0 0 339.439 2.963 40 0 EFABRN CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 ZINC000001381522 277137824 /nfs/dbraw/zinc/13/78/24/277137824.db2.gz OWZJXUKEDUHVTG-UHFFFAOYSA-N 0 0 344.506 2.920 40 0 EFABRN CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 ZINC000006680756 277171715 /nfs/dbraw/zinc/17/17/15/277171715.db2.gz KEXLXAUKJMGVLY-UHFFFAOYSA-N 0 0 344.502 2.841 40 0 EFABRN CN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)CC1=O ZINC000012181138 277201950 /nfs/dbraw/zinc/20/19/50/277201950.db2.gz BIKQMEQPELVTSQ-MDKVJWTPSA-N 0 0 330.403 2.541 40 0 EFABRN CN1N=CS[C@]12C(=O)N(c1ccccc1)C(=O)N2c1ccccc1 ZINC000005887748 277214204 /nfs/dbraw/zinc/21/42/04/277214204.db2.gz BUSZCAPEDRBNFE-QGZVFWFLSA-N 0 0 338.392 2.936 40 0 EFABRN CC(C)(C)[C@]1(O)C=C(C(F)(F)F)NN1C(=O)c1ccc(O)cc1 ZINC000032100833 277263236 /nfs/dbraw/zinc/26/32/36/277263236.db2.gz GMSFLEVNFSWGSJ-CQSZACIVSA-N 0 0 330.306 2.891 40 0 EFABRN COC(=O)C[C@@]1(O)c2ccc3ccccc3c2CC[C@]1(C)C(=O)OC ZINC000005732161 277327890 /nfs/dbraw/zinc/32/78/90/277327890.db2.gz AWOATJQDUAUSOY-WOJBJXKFSA-N 0 0 342.391 2.716 40 0 EFABRN CO[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]12 ZINC000008297095 277659698 /nfs/dbraw/zinc/65/96/98/277659698.db2.gz SQSWNFNYQZYINU-CABCVRRESA-N 0 0 328.393 2.597 40 0 biogenic,in-vitro EFABRN C/C=C(/C)C(=O)O[C@H]1[C@@H](O)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000008829767 277733758 /nfs/dbraw/zinc/73/37/58/277733758.db2.gz KJWFOHVSTFGWGZ-ODZVBOMLSA-N 0 0 344.363 2.875 40 0 biogenic,in-vitro EFABRN COc1ccc2nc3c(cc2c1)CN(C[C@@H]1CCCO1)C(=O)[C@@H](C)O3 ZINC000012115593 278004901 /nfs/dbraw/zinc/00/49/01/278004901.db2.gz XMLZHIOWGVXHIA-WBMJQRKESA-N 0 0 342.395 2.532 40 0 EFABRN COc1cccc([C@H]2c3cc4c(cc3O[C@H](O)[C@@H]2C)OCO4)c1O ZINC000000044421 278022574 /nfs/dbraw/zinc/02/25/74/278022574.db2.gz DYDGSGOMYSJIRS-COJQNKITSA-N 0 0 330.336 2.608 40 0 EFABRN CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21 ZINC000096413027 278032651 /nfs/dbraw/zinc/03/26/51/278032651.db2.gz RLUNDDVTKMOQQS-CYBMUJFWSA-N 0 0 336.457 2.549 40 0 EFABRN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2nccn2C(C)C)nc1 ZINC000257233864 278124827 /nfs/dbraw/zinc/12/48/27/278124827.db2.gz GRCCJHIIFJZYJK-SFHVURJKSA-N 0 0 341.459 2.832 40 0 EFABRN CC(C)n1cc(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)cn1 ZINC000041549545 278128052 /nfs/dbraw/zinc/12/80/52/278128052.db2.gz YSBLPJJRQXWOGR-INIZCTEOSA-N 0 0 348.790 2.846 40 0 EFABRN CSc1ccc([C@H]2[C@@H]3C(=O)NC(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101129974 278174992 /nfs/dbraw/zinc/17/49/92/278174992.db2.gz RXPYJZHQQKMVEG-JYJNAYRXSA-N 0 0 340.404 2.543 40 0 EFABRN CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c1 ZINC000004927619 278207581 /nfs/dbraw/zinc/20/75/81/278207581.db2.gz APGQDSREBLIPIH-NSHDSACASA-N 0 0 344.342 2.968 40 0 EFABRN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)c1 ZINC000004927625 278207885 /nfs/dbraw/zinc/20/78/85/278207885.db2.gz APGQDSREBLIPIH-LLVKDONJSA-N 0 0 344.342 2.968 40 0 EFABRN C[C@@H]1CN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C[C@@H](C)O1 ZINC000072243384 288036140 /nfs/dbraw/zinc/03/61/40/288036140.db2.gz DXUUJNQVSVPFQP-RKDXNWHRSA-N 0 0 327.306 2.831 40 0 EFABRN CC[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C(=O)[O-] ZINC000002700758 288048284 /nfs/dbraw/zinc/04/82/84/288048284.db2.gz YWYRSUHFJGSCOE-BBRMVZONSA-N 0 0 326.396 2.608 40 0 EFABRN CCC(CC)NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000113964974 278598514 /nfs/dbraw/zinc/59/85/14/278598514.db2.gz AYDQKRAEGCJOQN-UHFFFAOYSA-N 0 0 344.452 2.677 40 0 EFABRN Cc1cccc(C)c1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C ZINC000223333699 278918024 /nfs/dbraw/zinc/91/80/24/278918024.db2.gz KOKFZWHGFYSECI-UHFFFAOYSA-N 0 0 346.408 2.858 40 0 EFABRN Cc1c[nH]nc1[C@H]1CCCCN1C(=O)c1cccc(-n2cnnc2)c1 ZINC000257330219 279007247 /nfs/dbraw/zinc/00/72/47/279007247.db2.gz XNKQAGHZBUXGMB-MRXNPFEDSA-N 0 0 336.399 2.666 40 0 EFABRN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC000096426824 279063870 /nfs/dbraw/zinc/06/38/70/279063870.db2.gz USONXYVOUYGWPG-GFCCVEGCSA-N 0 0 346.349 2.851 40 0 EFABRN Cc1nc(C)n(CC(=O)N[C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000012162261 279079691 /nfs/dbraw/zinc/07/96/91/279079691.db2.gz QHFOZDVHSCNEOG-ZULIPRJHSA-N 0 0 338.455 2.984 40 0 EFABRN Cc1nc2c(c(=O)ncn2Cc2ccccc2)c2c1COC(C)(C)C2 ZINC000005537770 279110616 /nfs/dbraw/zinc/11/06/16/279110616.db2.gz YSNBYJXBOYOWGS-UHFFFAOYSA-N 0 0 335.407 3.000 40 0 EFABRN Cc1ncsc1CCN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000096449287 279180571 /nfs/dbraw/zinc/18/05/71/279180571.db2.gz GJMCJEJLRVGPSP-QGZVFWFLSA-N 0 0 329.425 2.770 40 0 EFABRN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3CCOc4ccccc43)c12 ZINC000014900698 279207540 /nfs/dbraw/zinc/20/75/40/279207540.db2.gz LWKWTUMHQXCTME-HNNXBMFYSA-N 0 0 336.395 2.839 40 0 EFABRN Cn1cccc1C(=O)N1CC2(C1)C[C@H](OCC1CCCC1)CS2 ZINC000248134899 279368130 /nfs/dbraw/zinc/36/81/30/279368130.db2.gz OEIGQXTYGJYRAH-HNNXBMFYSA-N 0 0 334.485 2.932 40 0 EFABRN CC(C)NC(=O)N1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC000096244841 279583744 /nfs/dbraw/zinc/58/37/44/279583744.db2.gz QEMONABCGQIRJD-LJQANCHMSA-N 0 0 327.428 2.505 40 0 EFABRN CC(C)NC(=O)NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 ZINC000003307415 279585353 /nfs/dbraw/zinc/58/53/53/279585353.db2.gz ISPGKVFFUGJEPG-UHFFFAOYSA-N 0 0 326.437 2.616 40 0 EFABRN CC(C)NC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339027 279598715 /nfs/dbraw/zinc/59/87/15/279598715.db2.gz MZFGDDUOWIPSLB-SWDCCWFVSA-N 0 0 342.439 2.856 40 0 EFABRN CCOc1cc([C@@H]2S[C@@H](C)C(=O)Nc3n[nH]c(C)c32)ccc1O ZINC000006678565 279948330 /nfs/dbraw/zinc/94/83/30/279948330.db2.gz SVANCIKOOLOQEK-XPTSAGLGSA-N 0 0 333.413 2.986 40 0 EFABRN CCS(=O)(=O)c1ccccc1N1CCCN(c2ccccn2)CC1 ZINC000225522932 280033912 /nfs/dbraw/zinc/03/39/12/280033912.db2.gz CIXXHXAIDRGMER-UHFFFAOYSA-N 0 0 345.468 2.592 40 0 EFABRN O=C([O-])c1ccccc1C[NH+]1CCC(c2ccnc3ccnn32)CC1 ZINC000257320560 280073043 /nfs/dbraw/zinc/07/30/43/280073043.db2.gz VXIUPUPTZDAMML-UHFFFAOYSA-N 0 0 336.395 2.807 40 0 EFABRN O=C(c1ccc(F)cc1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1 ZINC000077266325 280185855 /nfs/dbraw/zinc/18/58/55/280185855.db2.gz IHNFIJFPHSQTJR-QGZVFWFLSA-N 0 0 345.418 2.720 40 0 biogenic,in-vitro EFABRN O=C(c1cccs1)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257319224 280217133 /nfs/dbraw/zinc/21/71/33/280217133.db2.gz VRJPKEYQNXTHOS-LBPRGKRZSA-N 0 0 328.397 2.864 40 0 EFABRN O=C1COC2(CCN(Cc3nccs3)CC2)CN1c1ccsc1 ZINC000096159158 280265879 /nfs/dbraw/zinc/26/58/79/280265879.db2.gz SLWPZRXLUGDXOX-UHFFFAOYSA-N 0 0 349.481 2.603 40 0 EFABRN Cc1cc(-c2cc3nc(C)c(C)c(N4CC[C@@H](O)[C@H](C)C4)n3n2)no1 ZINC000072396860 280284477 /nfs/dbraw/zinc/28/44/77/280284477.db2.gz XPJRAAVPYXLVNE-QLJPJBMISA-N 0 0 341.415 2.517 40 0 EFABRN O=S1(=O)C[C@@H]2SC(=S)N(c3ccc4ccccc4c3)[C@H]2C1 ZINC000005673866 280351527 /nfs/dbraw/zinc/35/15/27/280351527.db2.gz NDBPWKLHJKKFPP-KBPBESRZSA-N 0 0 335.475 2.844 40 0 EFABRN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(C)c4ccccc43)cn2)n1 ZINC000110475331 280430667 /nfs/dbraw/zinc/43/06/67/280430667.db2.gz JFTXSZMJYBUJSU-UHFFFAOYSA-N 0 0 347.422 2.981 40 0 EFABRN Cc1ccc(Br)c2c1N(C(=O)[C@@H](C)n1cncn1)CCC2 ZINC000272204023 280756735 /nfs/dbraw/zinc/75/67/35/280756735.db2.gz JKHVIWLBTSECIL-LLVKDONJSA-N 0 0 349.232 2.889 40 0 EFABRN CC(C)n1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000096427660 280767916 /nfs/dbraw/zinc/76/79/16/280767916.db2.gz YCYWFXANUVRAHK-NWDGAFQWSA-N 0 0 339.383 2.863 40 0 EFABRN Cc1ccc(Cl)cc1NC(=O)[C@H]1CSc2ncc(C)c(=O)n2C1 ZINC000085473713 280846007 /nfs/dbraw/zinc/84/60/07/280846007.db2.gz ROKGWXWWKIPNAG-LLVKDONJSA-N 0 0 349.843 2.874 40 0 EFABRN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc(F)cc1)C2 ZINC000225493976 281137011 /nfs/dbraw/zinc/13/70/11/281137011.db2.gz YWIYLEUMIZUTAH-SFHVURJKSA-N 0 0 329.419 2.732 40 0 biogenic,in-vitro EFABRN Cc1nc(C(=O)N2CCN(C)c3ccccc3C2)nn1-c1ccccc1 ZINC000068354849 281824351 /nfs/dbraw/zinc/82/43/51/281824351.db2.gz CBFIVECLDRLYOU-UHFFFAOYSA-N 0 0 347.422 2.668 40 0 EFABRN CCC(=O)N1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257317896 281922823 /nfs/dbraw/zinc/92/28/23/281922823.db2.gz VLPSFPFXZCYIAM-LBPRGKRZSA-N 0 0 346.456 2.654 40 0 EFABRN C[C@@H]1c2cc(S(=O)(=O)N3CCCCCC3)cc3c2N(CCC3)C1=O ZINC000005153835 289070258 /nfs/dbraw/zinc/07/02/58/289070258.db2.gz CMMLMBMJVSSAOY-CYBMUJFWSA-N 0 0 348.468 2.648 40 0 EFABRN C[C@@]12C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](c1ccccc1)N1CCCN12 ZINC000019166860 289217830 /nfs/dbraw/zinc/21/78/30/289217830.db2.gz NBIADNCGQLITLE-WFXMLNOXSA-N 0 0 347.418 2.612 40 0 EFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)N[C@@H]1CCCc3ccccc31)CS2 ZINC000006938661 289220414 /nfs/dbraw/zinc/22/04/14/289220414.db2.gz CJBRIGSXMAXRFJ-RVKKMQEKSA-N 0 0 330.453 2.634 40 0 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/nfs/dbraw/zinc/76/90/73/471769073.db2.gz MZZYKHNDZKDWGH-AWEZNQCLSA-N 0 0 342.424 2.599 40 0 EFABRN C[C@H]1Cc2cc(CCC(=O)N3CCCc4c(cnn4C)C3)ccc2O1 ZINC000012241345 471769156 /nfs/dbraw/zinc/76/91/56/471769156.db2.gz BKZPZEHOTZMVNQ-AWEZNQCLSA-N 0 0 339.439 2.651 40 0 EFABRN Cc1csc([C@H](Cc2ccsc2)NC(=O)CN2CCCC2=O)n1 ZINC000012227451 471769713 /nfs/dbraw/zinc/76/97/13/471769713.db2.gz UFURTAQKTRGSGM-ZDUSSCGKSA-N 0 0 349.481 2.535 40 0 EFABRN O=S(=O)(NC1(c2ccccc2F)CC1)c1cccc2nsnc21 ZINC000012241727 471769722 /nfs/dbraw/zinc/76/97/22/471769722.db2.gz QJKPMNATWTZVFO-UHFFFAOYSA-N 0 0 349.412 2.798 40 0 EFABRN Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)[C@H]2C[C@H]2C)on1 ZINC000012337753 471771327 /nfs/dbraw/zinc/77/13/27/471771327.db2.gz YGHROUQFHBWPFH-YPMHNXCESA-N 0 0 328.416 2.878 40 0 EFABRN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCO1)CC1(CCOCC1)O2 ZINC000012337436 471772289 /nfs/dbraw/zinc/77/22/89/471772289.db2.gz NLVKCFHUGXJIMW-NVXWUHKLSA-N 0 0 331.412 2.663 40 0 EFABRN CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(C(=O)C2CC2)CC1 ZINC000012365776 471773392 /nfs/dbraw/zinc/77/33/92/471773392.db2.gz PJRGAQAGNBFHJE-AWEZNQCLSA-N 0 0 349.500 2.995 40 0 EFABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000012365041 471773562 /nfs/dbraw/zinc/77/35/62/471773562.db2.gz ZIFQQYDTRWLOIS-OAHLLOKOSA-N 0 0 335.411 2.692 40 0 EFABRN C[P@@](=O)(c1nccn1-c1ccc(Cl)nn1)N1CCCCCC1 ZINC000012559085 471781755 /nfs/dbraw/zinc/78/17/55/471781755.db2.gz FJHHVNKJOZFAFX-JOCHJYFZSA-N 0 0 339.767 2.725 40 0 EFABRN COc1cc(C(=O)NCCN(C)c2ccccc2)cc(OC)c1OC ZINC000012611660 471786702 /nfs/dbraw/zinc/78/67/02/471786702.db2.gz SVOYIHDVXMSPPM-UHFFFAOYSA-N 0 0 344.411 2.579 40 0 EFABRN CCCCCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000012659198 471789006 /nfs/dbraw/zinc/78/90/06/471789006.db2.gz COZDDHQFZCZBQU-ZVDSWSACSA-N 0 0 344.448 2.980 40 0 biogenic EFABRN CCC[C@@H](C)NC(=O)CSc1ccc(-n2nc(C)cc2C)nn1 ZINC000012751044 471792461 /nfs/dbraw/zinc/79/24/61/471792461.db2.gz POGAFSBBCFRLHW-LLVKDONJSA-N 0 0 333.461 2.676 40 0 EFABRN Cc1nonc1CC(=O)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012748149 471793146 /nfs/dbraw/zinc/79/31/46/471793146.db2.gz CGKCRPCBJYLSIP-VHRNVKJDSA-N 0 0 329.375 2.997 40 0 EFABRN COC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000012801309 471798624 /nfs/dbraw/zinc/79/86/24/471798624.db2.gz RVWHZSAWCNKXDB-UHFFFAOYSA-N 0 0 330.365 2.725 40 0 EFABRN Cc1nsc(N)c1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000012847099 471800847 /nfs/dbraw/zinc/80/08/47/471800847.db2.gz ODDFHRSIACODTM-VIFPVBQESA-N 0 0 329.381 2.943 40 0 EFABRN COCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1 ZINC000012986560 471810507 /nfs/dbraw/zinc/81/05/07/471810507.db2.gz DUCKVFCLAASGRQ-UHFFFAOYSA-N 0 0 326.396 2.552 40 0 EFABRN Cc1nc2ncccc2c([C@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000013228064 471822331 /nfs/dbraw/zinc/82/23/31/471822331.db2.gz BXZWRCSBQHKDHD-HNNXBMFYSA-N 0 0 347.422 2.677 40 0 EFABRN COCC(=O)NCc1ccc(-c2nc(C)ncc2-c2ccccn2)cc1 ZINC000013228149 471822621 /nfs/dbraw/zinc/82/26/21/471822621.db2.gz PZLZALGZQWJOBI-UHFFFAOYSA-N 0 0 348.406 2.777 40 0 EFABRN c1cc(-c2nc(N3CCSCC3)ncc2-c2cnccn2)co1 ZINC000013268326 471824168 /nfs/dbraw/zinc/82/41/68/471824168.db2.gz QEXNKEPPNOKIJQ-UHFFFAOYSA-N 0 0 325.397 2.747 40 0 EFABRN CCCc1nn2c(nc(COc3ccc(OC)cc3)cc2=O)s1 ZINC000013367702 471828037 /nfs/dbraw/zinc/82/80/37/471828037.db2.gz FPFAYTVJMOIMBO-UHFFFAOYSA-N 0 0 331.397 2.691 40 0 EFABRN CCC(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 ZINC000013368339 471828086 /nfs/dbraw/zinc/82/80/86/471828086.db2.gz PYLSCWBOGBVOLA-UHFFFAOYSA-N 0 0 329.381 2.684 40 0 EFABRN C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000013495403 471830396 /nfs/dbraw/zinc/83/03/96/471830396.db2.gz LDVIVQDTKJOCEO-NSHDSACASA-N 0 0 347.371 2.915 40 0 EFABRN COc1ccc(CCNC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 ZINC000013478461 471830739 /nfs/dbraw/zinc/83/07/39/471830739.db2.gz QTIXYJGLNNFQSH-GOSISDBHSA-N 0 0 342.370 2.686 40 0 EFABRN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 ZINC000013495401 471831116 /nfs/dbraw/zinc/83/11/16/471831116.db2.gz LDVIVQDTKJOCEO-LLVKDONJSA-N 0 0 347.371 2.915 40 0 EFABRN Cc1ccsc1/C=c1\sc2nnc(Cc3ccccc3)n2c1=O ZINC000013547528 471832128 /nfs/dbraw/zinc/83/21/28/471832128.db2.gz LQTZEHDHCMRQOE-UVTDQMKNSA-N 0 0 339.445 2.659 40 0 EFABRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000013583183 471833547 /nfs/dbraw/zinc/83/35/47/471833547.db2.gz NAOIPZXYERATHN-UHFFFAOYSA-N 0 0 332.425 2.806 40 0 EFABRN CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1C ZINC000013567446 471833951 /nfs/dbraw/zinc/83/39/51/471833951.db2.gz OHPPZCPNIHWWRJ-LBPRGKRZSA-N 0 0 329.425 2.675 40 0 EFABRN CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)CC ZINC000013610500 471834795 /nfs/dbraw/zinc/83/47/95/471834795.db2.gz RCPOSLMOWAGYLC-ZDUSSCGKSA-N 0 0 338.473 2.707 40 0 EFABRN O=C(NCCn1nc(-c2cccs2)ccc1=O)NC1CCCCC1 ZINC000013605518 471835026 /nfs/dbraw/zinc/83/50/26/471835026.db2.gz COANCFXXXDLXLF-UHFFFAOYSA-N 0 0 346.456 2.604 40 0 EFABRN CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2F)c1 ZINC000013668963 471836796 /nfs/dbraw/zinc/83/67/96/471836796.db2.gz UMKNWZQEHSMWRW-UHFFFAOYSA-N 0 0 337.372 2.944 40 0 EFABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000013670689 471837224 /nfs/dbraw/zinc/83/72/24/471837224.db2.gz BSCZHTXQAQLWPE-CYBMUJFWSA-N 0 0 344.436 2.674 40 0 EFABRN CC[C@@H](C(=O)NCCC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713672 471840047 /nfs/dbraw/zinc/84/00/47/471840047.db2.gz HACZPLIACBSTFA-INIZCTEOSA-N 0 0 340.489 2.702 40 0 EFABRN CC[C@H](C(=O)NCC(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716013 471840821 /nfs/dbraw/zinc/84/08/21/471840821.db2.gz RRZMFXWWPISYSC-MRXNPFEDSA-N 0 0 340.489 2.620 40 0 EFABRN S=C(NCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000013828040 471843888 /nfs/dbraw/zinc/84/38/88/471843888.db2.gz HHDVGHYAFWHNBZ-UHFFFAOYSA-N 0 0 325.481 2.879 40 0 EFABRN C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000013938946 471845620 /nfs/dbraw/zinc/84/56/20/471845620.db2.gz BDTUGTPTSUIEHF-GFCCVEGCSA-N 0 0 347.465 2.991 40 0 EFABRN Nc1cc(S(=O)(=O)NCc2ccccc2)ccc1N1CCCCC1 ZINC000013998509 471846573 /nfs/dbraw/zinc/84/65/73/471846573.db2.gz MWUYTSSDTCXKSR-UHFFFAOYSA-N 0 0 345.468 2.738 40 0 EFABRN COC(=O)c1cc(NC(=O)c2ccc(Cl)o2)cc(C(=O)OC)c1 ZINC000014020283 471847809 /nfs/dbraw/zinc/84/78/09/471847809.db2.gz RPBFIRGECATCHZ-UHFFFAOYSA-N 0 0 337.715 2.759 40 0 EFABRN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(OC)c(OC)c1 ZINC000014014946 471847955 /nfs/dbraw/zinc/84/79/55/471847955.db2.gz FEZFJUJIFZEMEX-UHFFFAOYSA-N 0 0 349.408 2.750 40 0 EFABRN CC1CCC(NC(=O)Cn2cnc3c4ccccc4[nH]c3c2=O)CC1 ZINC000014001061 471848446 /nfs/dbraw/zinc/84/84/46/471848446.db2.gz DBQXTCIRRUYWMF-UHFFFAOYSA-N 0 0 338.411 2.573 40 0 EFABRN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2cccn2)cc1 ZINC000014202891 471862417 /nfs/dbraw/zinc/86/24/17/471862417.db2.gz XFHDFOFMEVNGSU-UHFFFAOYSA-N 0 0 335.363 2.590 40 0 EFABRN CCn1nccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000014239279 471864490 /nfs/dbraw/zinc/86/44/90/471864490.db2.gz YWEBLFJMFXQXCZ-UHFFFAOYSA-N 0 0 334.228 2.688 40 0 EFABRN COc1cccc(C(=O)NC(=S)Nc2cc(OC)ccc2O)c1 ZINC000014257612 471867164 /nfs/dbraw/zinc/86/71/64/471867164.db2.gz RGAGOKQQLLDIRG-UHFFFAOYSA-N 0 0 332.381 2.536 40 0 EFABRN CC(=O)c1ccc(OC(=O)CCn2ncc(=O)c3ccccc32)cc1 ZINC000014673674 471875912 /nfs/dbraw/zinc/87/59/12/471875912.db2.gz KIDFAZMTKLJPHC-UHFFFAOYSA-N 0 0 336.347 2.595 40 0 EFABRN COc1ccc(NC(=O)CCNC(=O)NC2CCCCC2)c(OC)c1 ZINC000014848371 471879935 /nfs/dbraw/zinc/87/99/35/471879935.db2.gz LNTHVGZLPCVGIX-UHFFFAOYSA-N 0 0 349.431 2.664 40 0 EFABRN COc1ccc(CNC(=O)CNc2cc(F)ccc2C)cc1OC ZINC000015122849 471889884 /nfs/dbraw/zinc/88/98/84/471889884.db2.gz WGJTYKAPOHETSS-UHFFFAOYSA-N 0 0 332.375 2.880 40 0 EFABRN C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015198152 471893034 /nfs/dbraw/zinc/89/30/34/471893034.db2.gz SBBUISFJNZEMHR-GFCCVEGCSA-N 0 0 335.400 2.649 40 0 EFABRN COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@@H]3C2=O)cc1 ZINC000015228919 471893282 /nfs/dbraw/zinc/89/32/82/471893282.db2.gz RHNYHYPOWDOLBY-FSDCSDTHSA-N 0 0 337.375 2.731 40 0 EFABRN CCCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000015398100 471903729 /nfs/dbraw/zinc/90/37/29/471903729.db2.gz OEDIHFAXXSKIAP-UHFFFAOYSA-N 0 0 346.452 2.717 40 0 EFABRN CCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015396870 471903804 /nfs/dbraw/zinc/90/38/04/471903804.db2.gz WDBSHNFLXDVRFF-UHFFFAOYSA-N 0 0 346.452 2.798 40 0 EFABRN CC(C)c1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000015634876 471912731 /nfs/dbraw/zinc/91/27/31/471912731.db2.gz WCBZNXFMQZTMND-HOTGVXAUSA-N 0 0 326.396 2.700 40 0 EFABRN CCC[C@@H](C)NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O ZINC000015653068 471913260 /nfs/dbraw/zinc/91/32/60/471913260.db2.gz NERMEUGHVNQNMX-DOMZBBRYSA-N 0 0 348.468 2.709 40 0 EFABRN CCCCc1nnc2sc(NC(=O)c3ccc(OC)cc3)nn12 ZINC000015674550 471914012 /nfs/dbraw/zinc/91/40/12/471914012.db2.gz YCLJKNNKDPZRMH-UHFFFAOYSA-N 0 0 331.401 2.789 40 0 EFABRN CCC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000016093435 471925216 /nfs/dbraw/zinc/92/52/16/471925216.db2.gz BUXFIERRPYKHFR-SECBINFHSA-N 0 0 336.251 2.925 40 0 EFABRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 ZINC000016086646 471925305 /nfs/dbraw/zinc/92/53/05/471925305.db2.gz XDOHPLIVXDJAIY-UHFFFAOYSA-N 0 0 347.436 2.895 40 0 EFABRN Cc1cccc(OCCCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000016278053 471929600 /nfs/dbraw/zinc/92/96/00/471929600.db2.gz FOUDSJUWXVMCAB-UHFFFAOYSA-N 0 0 347.436 2.597 40 0 EFABRN Cc1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)c(C)c1 ZINC000016777633 471949611 /nfs/dbraw/zinc/94/96/11/471949611.db2.gz MGZIIIIYYJBKJB-UHFFFAOYSA-N 0 0 327.413 2.783 40 0 EFABRN O=C(Cc1csc(Nc2ccc(F)cc2)n1)NC[C@@H]1CCCO1 ZINC000016850170 471950680 /nfs/dbraw/zinc/95/06/80/471950680.db2.gz GNHFYJLZIFXKKW-AWEZNQCLSA-N 0 0 335.404 2.864 40 0 EFABRN Cc1cc(NCCc2ccccc2)c(C=O)c(=O)n1C[C@@H]1CCCO1 ZINC000016808065 471951212 /nfs/dbraw/zinc/95/12/12/471951212.db2.gz JTFPKXLCLGUAKF-KRWDZBQOSA-N 0 0 340.423 2.803 40 0 EFABRN 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335.338 2.737 40 0 EFABRN CCCc1nc2n(n1)[C@@H](C(=O)Nc1ccc(C)cc1Cl)CC(=O)N2 ZINC000017072315 471956513 /nfs/dbraw/zinc/95/65/13/471956513.db2.gz PEJRRGUSVLBDHM-GFCCVEGCSA-N 0 0 347.806 2.714 40 0 EFABRN O=C(Nc1nnc2n1CCCS2)c1cccc(Br)c1 ZINC000017149858 471957458 /nfs/dbraw/zinc/95/74/58/471957458.db2.gz UTJXXGFIROFKCI-UHFFFAOYSA-N 0 0 339.218 2.789 40 0 EFABRN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N(C)C)c(=O)c12 ZINC000017130410 471957779 /nfs/dbraw/zinc/95/77/79/471957779.db2.gz SSLACYPPTCQTAH-UHFFFAOYSA-N 0 0 327.409 2.522 40 0 EFABRN O=C(COc1ccc(Br)cc1F)NCc1cccnc1 ZINC000017168723 471959150 /nfs/dbraw/zinc/95/91/50/471959150.db2.gz WMHDXEOLQTZYKX-UHFFFAOYSA-N 0 0 339.164 2.678 40 0 EFABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000017395860 471963011 /nfs/dbraw/zinc/96/30/11/471963011.db2.gz HBNBNOOPWKDCDU-UHFFFAOYSA-N 0 0 348.424 2.588 40 0 EFABRN CC1=NS(=O)(=O)NC(C)=C1CC1=C(C)NS(=O)(=O)N=C1C ZINC000017783921 471964034 /nfs/dbraw/zinc/96/40/34/471964034.db2.gz 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/nfs/dbraw/zinc/78/96/35/472789635.db2.gz MOBMINXVEVYTKY-HNNXBMFYSA-N 0 0 344.434 2.870 40 0 EFABRN CCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000078915198 472789655 /nfs/dbraw/zinc/78/96/55/472789655.db2.gz UMLVRPHOVRVGIQ-QRVBRYPASA-N 0 0 349.434 2.839 40 0 EFABRN CC(C)[C@@H](C(=O)N[C@@H](C)c1nc2c(s1)CCCC2)N1CCCC1=O ZINC000078912621 472789746 /nfs/dbraw/zinc/78/97/46/472789746.db2.gz RNNGXCAHWULWIC-LRDDRELGSA-N 0 0 349.500 2.846 40 0 EFABRN Cc1nc(CN2CCC(CNC(=O)c3ccc(C)nc3)CC2)cs1 ZINC000078917444 472789753 /nfs/dbraw/zinc/78/97/53/472789753.db2.gz AJCDZRACQBMYNV-UHFFFAOYSA-N 0 0 344.484 2.797 40 0 EFABRN C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000078929084 472790166 /nfs/dbraw/zinc/79/01/66/472790166.db2.gz STTWOXSGUVHBHB-GUYCJALGSA-N 0 0 344.455 2.971 40 0 EFABRN COc1ccc(OC)c2c1CN(Cc1ccc3c[nH]nc3c1)C[C@H]2O ZINC000121084758 472795598 /nfs/dbraw/zinc/79/55/98/472795598.db2.gz IDHFDWNFDMQGCX-MRXNPFEDSA-N 0 0 339.395 2.629 40 0 EFABRN C[C@@H](C(=O)N1CCCCCC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000078978790 472798495 /nfs/dbraw/zinc/79/84/95/472798495.db2.gz WFOCMWSPRBDCRN-LBPRGKRZSA-N 0 0 329.849 2.905 40 0 EFABRN COc1ccccc1[C@@H]1C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000078979373 472799309 /nfs/dbraw/zinc/79/93/09/472799309.db2.gz SCIVXABMLKAFKJ-JKSUJKDBSA-N 0 0 339.391 2.886 40 0 EFABRN Cc1cc(NC(=O)c2noc3c2CCCCC3)ccc1S(C)(=O)=O ZINC000133405125 472800803 /nfs/dbraw/zinc/80/08/03/472800803.db2.gz SLUHFRSWGGKTDL-UHFFFAOYSA-N 0 0 348.424 2.908 40 0 EFABRN CCS[C@@H]1CCCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000078987611 472801654 /nfs/dbraw/zinc/80/16/54/472801654.db2.gz MCCBWXZVMDHQPO-OAHLLOKOSA-N 0 0 335.473 2.603 40 0 EFABRN O=C1[C@H](Sc2nc(=O)ccn2C2CC2)CCN1c1ccccc1F ZINC000078996039 472802126 /nfs/dbraw/zinc/80/21/26/472802126.db2.gz HWGQVGNJXWFDCQ-CQSZACIVSA-N 0 0 345.399 2.615 40 0 EFABRN C[C@@H](Oc1ccccc1Br)C(=O)N[C@H]1CCCOC1 ZINC000078996480 472803603 /nfs/dbraw/zinc/80/36/03/472803603.db2.gz RBMKRSVQVKODLS-MNOVXSKESA-N 0 0 328.206 2.512 40 0 EFABRN C[C@@H](Oc1ccccc1Br)C(=O)NCC[C@@H]1CCCO1 ZINC000078998686 472803852 /nfs/dbraw/zinc/80/38/52/472803852.db2.gz CQWPJTUYAAWOBS-NEPJUHHUSA-N 0 0 342.233 2.902 40 0 EFABRN C[C@H](Oc1ccccc1Br)C(=O)N[C@H]1CCCOC1 ZINC000078996476 472804077 /nfs/dbraw/zinc/80/40/77/472804077.db2.gz RBMKRSVQVKODLS-QWRGUYRKSA-N 0 0 328.206 2.512 40 0 EFABRN Cc1cc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)ccn1 ZINC000079001789 472804230 /nfs/dbraw/zinc/80/42/30/472804230.db2.gz MCGSXLIBEYYTBP-GOSISDBHSA-N 0 0 325.412 2.712 40 0 EFABRN CCn1cnnc1CNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000079022640 472807132 /nfs/dbraw/zinc/80/71/32/472807132.db2.gz DBSUNIWIFOICND-AWEZNQCLSA-N 0 0 333.823 2.998 40 0 EFABRN COc1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1Br ZINC000079028884 472808825 /nfs/dbraw/zinc/80/88/25/472808825.db2.gz METIGUBMVOYGGB-JTQLQIEISA-N 0 0 343.221 2.694 40 0 EFABRN CCNC(=O)c1ccc(N2CC[C@H](c3ccc(OC)cc3)C2)nc1 ZINC000079031061 472809138 /nfs/dbraw/zinc/80/91/38/472809138.db2.gz FZQNMOHSFJAWLJ-INIZCTEOSA-N 0 0 325.412 2.834 40 0 EFABRN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCn2cccc2[C@@H]1C ZINC000079043475 472809638 /nfs/dbraw/zinc/80/96/38/472809638.db2.gz OGKHNALUGNPBPM-OLZOCXBDSA-N 0 0 345.830 2.863 40 0 EFABRN CC(C)(NC(=O)CCCc1ccccn1)C(=O)Nc1ccccc1 ZINC000079040698 472809855 /nfs/dbraw/zinc/80/98/55/472809855.db2.gz QVJFYOJQFDBSJR-UHFFFAOYSA-N 0 0 325.412 2.938 40 0 EFABRN COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1c(C)noc1C)CO2 ZINC000121172444 472810450 /nfs/dbraw/zinc/81/04/50/472810450.db2.gz QLPQLRCOCWKVAC-AWEZNQCLSA-N 0 0 330.384 2.510 40 0 EFABRN CCc1noc(CN(C)C(=O)c2ccccc2NC(=O)C(C)(C)C)n1 ZINC000079045492 472811278 /nfs/dbraw/zinc/81/12/78/472811278.db2.gz BYZBHLIKGXVXDU-UHFFFAOYSA-N 0 0 344.415 2.889 40 0 EFABRN COc1ccc2[nH]cc(CCNC(=O)c3cccnc3OC)c2c1 ZINC000079050948 472812540 /nfs/dbraw/zinc/81/25/40/472812540.db2.gz ZIWBQXVBGUQWCM-UHFFFAOYSA-N 0 0 325.368 2.553 40 0 EFABRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Nc2nccn(C)c2=O)o1 ZINC000121205084 472815759 /nfs/dbraw/zinc/81/57/59/472815759.db2.gz UWPAOOYTEMFBIW-AAEUAGOBSA-N 0 0 330.388 2.687 40 0 EFABRN CCOC(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCCN3C)C1 ZINC000121206560 472815980 /nfs/dbraw/zinc/81/59/80/472815980.db2.gz IKCINAIEZBQIDC-HNNXBMFYSA-N 0 0 345.443 2.876 40 0 EFABRN CCN(C)c1ccccc1NC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000079101723 472820438 /nfs/dbraw/zinc/82/04/38/472820438.db2.gz OJHCIWDBFVKBJY-UHFFFAOYSA-N 0 0 346.475 2.913 40 0 EFABRN NC(=O)c1cc(N)cc2nc(-c3cccc(Br)c3)oc21 ZINC000073641778 472846478 /nfs/dbraw/zinc/84/64/78/472846478.db2.gz VNCAPGZGAGHSKF-UHFFFAOYSA-N 0 0 332.157 2.938 40 0 EFABRN O=C(NC[C@@H](O)C1CC1)Nc1ccc(F)cc1OCC(F)(F)F ZINC000079306229 472846955 /nfs/dbraw/zinc/84/69/55/472846955.db2.gz LAKLREHKBZMNSA-LLVKDONJSA-N 0 0 336.285 2.659 40 0 EFABRN O=C(Cc1ccc(Br)s1)NCCCCn1ccnc1 ZINC000079312946 472847067 /nfs/dbraw/zinc/84/70/67/472847067.db2.gz UNGOXNYFWCLRHD-UHFFFAOYSA-N 0 0 342.262 2.846 40 0 EFABRN CCOc1nnc(CN(CCCO)[C@H]2CCc3ccccc32)s1 ZINC000079311580 472847251 /nfs/dbraw/zinc/84/72/51/472847251.db2.gz BRKYQHNVUBTTSK-HNNXBMFYSA-N 0 0 333.457 2.809 40 0 EFABRN CCCNC(=O)[C@@H](C)[S@](=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000079324647 472847525 /nfs/dbraw/zinc/84/75/25/472847525.db2.gz MQKIWYLQRAUMOT-BGJPBQGDSA-N 0 0 338.404 2.644 40 0 EFABRN CCC[C@H](C)NC(=O)[C@H](C)[S@@](=O)Cc1cc(F)ccc1OC ZINC000079324443 472848063 /nfs/dbraw/zinc/84/80/63/472848063.db2.gz XDYHAFNXTDMSAN-YEZLUTFDSA-N 0 0 329.437 2.776 40 0 EFABRN COCCCC(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1 ZINC000079336506 472848863 /nfs/dbraw/zinc/84/88/63/472848863.db2.gz DTIFTULKAUEWMO-UHFFFAOYSA-N 0 0 348.424 2.886 40 0 EFABRN Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2F)nc1 ZINC000079333517 472849210 /nfs/dbraw/zinc/84/92/10/472849210.db2.gz BNIXXWKQVRPYFB-UHFFFAOYSA-N 0 0 335.766 2.941 40 0 EFABRN COCc1ccccc1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079335709 472849226 /nfs/dbraw/zinc/84/92/26/472849226.db2.gz CYRYJPVHGONKHB-AWEZNQCLSA-N 0 0 348.443 2.820 40 0 EFABRN CO[C@@H](C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000079335740 472849270 /nfs/dbraw/zinc/84/92/70/472849270.db2.gz ILNYAZQRINBKAC-GOEBONIOSA-N 0 0 348.443 2.747 40 0 EFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](C)C2)cc1 ZINC000079335594 472849363 /nfs/dbraw/zinc/84/93/63/472849363.db2.gz LTQNIKGEAFCWOZ-ZDUSSCGKSA-N 0 0 339.461 2.591 40 0 EFABRN Cc1ccc(CC(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000079335713 472849472 /nfs/dbraw/zinc/84/94/72/472849472.db2.gz VGXKDNGDXFCXLV-INIZCTEOSA-N 0 0 332.444 2.911 40 0 EFABRN COc1ccc(Cl)cc1NCCC(=O)NCCCn1ccnc1 ZINC000079351755 472851198 /nfs/dbraw/zinc/85/11/98/472851198.db2.gz XKCIPOLDESSWNI-UHFFFAOYSA-N 0 0 336.823 2.554 40 0 EFABRN CC(C)c1nc(CNS(=O)(=O)c2c[nH]c3ncccc23)cs1 ZINC000079354772 472851266 /nfs/dbraw/zinc/85/12/66/472851266.db2.gz ACZMYFSMUFMBBL-UHFFFAOYSA-N 0 0 336.442 2.621 40 0 EFABRN CCN(C)c1ccccc1NC(=O)NCCCCn1ccccc1=O ZINC000079355751 472851403 /nfs/dbraw/zinc/85/14/03/472851403.db2.gz QOMHZRRXPHHPOD-UHFFFAOYSA-N 0 0 342.443 2.906 40 0 EFABRN COC(=O)c1cc(Cl)ccc1NC(=O)CCc1cn(C)nc1C ZINC000079357371 472851429 /nfs/dbraw/zinc/85/14/29/472851429.db2.gz VCUNGDLANBRYCI-UHFFFAOYSA-N 0 0 335.791 2.740 40 0 EFABRN CNC(=O)c1cc(NC(=O)NCc2cc(C(C)C)no2)ccc1F ZINC000079350459 472851588 /nfs/dbraw/zinc/85/15/88/472851588.db2.gz JUPDWTMOYFIQPI-UHFFFAOYSA-N 0 0 334.351 2.618 40 0 EFABRN CN1C(=O)C[C@H](C(=O)NCc2cccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000079359160 472851628 /nfs/dbraw/zinc/85/16/28/472851628.db2.gz BWTKUZXYVCRADR-RDJZCZTQSA-N 0 0 343.814 2.571 40 0 EFABRN COCCN(Cc1ccccn1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000079361619 472851770 /nfs/dbraw/zinc/85/17/70/472851770.db2.gz IFICXHLNDHEYBH-IBGZPJMESA-N 0 0 340.423 2.761 40 0 EFABRN COc1ccccc1C1(CNC(=O)c2cccc(-n3cncn3)c2)CC1 ZINC000079361701 472851803 /nfs/dbraw/zinc/85/18/03/472851803.db2.gz SEWSPAGHQVLJQR-UHFFFAOYSA-N 0 0 348.406 2.738 40 0 EFABRN CCC(=O)Nc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000079354851 472851857 /nfs/dbraw/zinc/85/18/57/472851857.db2.gz QXDNJCKNAAGPRZ-GFCCVEGCSA-N 0 0 329.322 2.610 40 0 EFABRN Cn1ccnc1COc1ccc(CN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079354350 472851890 /nfs/dbraw/zinc/85/18/90/472851890.db2.gz FTKNIZLWTDTSCA-ZWKOTPCHSA-N 0 0 327.428 2.752 40 0 EFABRN CC(C)COC[C@H](C)NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 ZINC000079355147 472851909 /nfs/dbraw/zinc/85/19/09/472851909.db2.gz IYUOQTCNHUPTQN-IRXDYDNUSA-N 0 0 348.491 2.531 40 0 EFABRN Cc1nc(Cn2cnc3cc(F)c(F)cc3c2=O)nc2ccccc12 ZINC000079350837 472851927 /nfs/dbraw/zinc/85/19/27/472851927.db2.gz DQHFSUBOLFNOHA-UHFFFAOYSA-N 0 0 338.317 2.975 40 0 EFABRN O=S(=O)(c1c[nH]c2ncccc12)N1CCC(OC2CCCC2)CC1 ZINC000079354747 472852057 /nfs/dbraw/zinc/85/20/57/472852057.db2.gz WNPAGQUZVRWVFF-UHFFFAOYSA-N 0 0 349.456 2.675 40 0 EFABRN NC(=O)C[C@@H]1CCCN(C(=O)Nc2cccc(-c3nccs3)c2)C1 ZINC000157739459 472854114 /nfs/dbraw/zinc/85/41/14/472854114.db2.gz FKADLWAJMBSCOD-LBPRGKRZSA-N 0 0 344.440 2.929 40 0 EFABRN CC(C)Oc1cncc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1 ZINC000121492846 472860042 /nfs/dbraw/zinc/86/00/42/472860042.db2.gz GRMVSLTXWOLMPA-OAHLLOKOSA-N 0 0 346.475 2.739 40 0 EFABRN CCN(C(=O)OCc1ccccc1)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079413829 472861351 /nfs/dbraw/zinc/86/13/51/472861351.db2.gz GRYXWVMLSCXOTR-UHFFFAOYSA-N 0 0 334.416 2.631 40 0 EFABRN C[C@@H]1CN(C(=O)c2cccnc2Cl)CCN1C(=O)OC(C)(C)C ZINC000079439438 472864117 /nfs/dbraw/zinc/86/41/17/472864117.db2.gz GUIMMESRUZOODK-LLVKDONJSA-N 0 0 339.823 2.816 40 0 EFABRN CC(C)(C)OC(=O)NCC1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000079439403 472864295 /nfs/dbraw/zinc/86/42/95/472864295.db2.gz WCDRKGVJTRJUIV-UHFFFAOYSA-N 0 0 347.463 2.792 40 0 EFABRN CCOc1cc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ncn1 ZINC000079439047 472864536 /nfs/dbraw/zinc/86/45/36/472864536.db2.gz CWRHWFVPVIMSHA-CYBMUJFWSA-N 0 0 336.436 2.759 40 0 EFABRN COc1ccc(C[S@@](=O)Cc2cccc(C(=O)N(C)C)c2)cc1F ZINC000064839637 472880953 /nfs/dbraw/zinc/88/09/53/472880953.db2.gz DSXOSQFHEMDNCZ-XMMPIXPASA-N 0 0 349.427 2.985 40 0 EFABRN Cc1cncc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000079551303 472884599 /nfs/dbraw/zinc/88/45/99/472884599.db2.gz WUGCAAVCVPKTIJ-UHFFFAOYSA-N 0 0 341.386 2.564 40 0 EFABRN COC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O ZINC000106744514 472885541 /nfs/dbraw/zinc/88/55/41/472885541.db2.gz QZFPQOXCYCCGKD-JYRVWZFOSA-N 0 0 335.381 2.683 40 0 EFABRN O=C(NCCOc1ccc2c(c1)OCO2)C1(c2ccc(F)cc2)CC1 ZINC000048536135 472886742 /nfs/dbraw/zinc/88/67/42/472886742.db2.gz JMEUSVYNNPEGTD-UHFFFAOYSA-N 0 0 343.354 2.781 40 0 EFABRN O=C(CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O)N1CCCCC1 ZINC000106756615 472887030 /nfs/dbraw/zinc/88/70/30/472887030.db2.gz QXQTVWHDYLLDRS-QHOJYGHMSA-N 0 0 346.408 2.885 40 0 EFABRN O[C@H](CSc1nnc2ccc(C(F)(F)F)cn21)C(F)(F)F ZINC000158061456 472887517 /nfs/dbraw/zinc/88/75/17/472887517.db2.gz CODGYGAGCGUFMD-ZCFIWIBFSA-N 0 0 331.241 2.763 40 0 EFABRN CCc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1 ZINC000106763327 472887961 /nfs/dbraw/zinc/88/79/61/472887961.db2.gz OVYJKEFAICMECY-PTNGSMBKSA-N 0 0 344.436 2.908 40 0 EFABRN COc1cccnc1N(C)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000121789899 472914842 /nfs/dbraw/zinc/91/48/42/472914842.db2.gz APPOIERYXTZJJE-UHFFFAOYSA-N 0 0 326.331 2.692 40 0 EFABRN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000134511536 472920286 /nfs/dbraw/zinc/92/02/86/472920286.db2.gz HIBDITXUIHTJIP-MLGOLLRUSA-N 0 0 345.370 2.725 40 0 EFABRN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)Cc1ccc2c(c1)OCO2 ZINC000134511470 472920984 /nfs/dbraw/zinc/92/09/84/472920984.db2.gz HIBDITXUIHTJIP-LRDDRELGSA-N 0 0 345.370 2.725 40 0 EFABRN Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)Oc4ncccc43)cn2)n1 ZINC000158332614 472924410 /nfs/dbraw/zinc/92/44/10/472924410.db2.gz FTBLJZZOGDXXEL-CQSZACIVSA-N 0 0 349.394 2.707 40 0 EFABRN Cc1cccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000049023075 472926283 /nfs/dbraw/zinc/92/62/83/472926283.db2.gz ACAVKNGEOXPNSA-UHFFFAOYSA-N 0 0 332.787 2.782 40 0 EFABRN O=C(Nc1ccc2ncsc2c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121840331 472926342 /nfs/dbraw/zinc/92/63/42/472926342.db2.gz 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474219252 /nfs/dbraw/zinc/21/92/52/474219252.db2.gz GBILSPZZSCCIPM-GOSISDBHSA-N 0 0 337.439 2.598 40 0 EFABRN CC(C)(Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000225499614 474219335 /nfs/dbraw/zinc/21/93/35/474219335.db2.gz QWDSQKKZDZMHAH-GFCCVEGCSA-N 0 0 342.361 2.669 40 0 EFABRN CC(C)(C)OC(=O)CCC(=O)NCc1cc(Br)c[nH]1 ZINC000225496736 474219717 /nfs/dbraw/zinc/21/97/17/474219717.db2.gz ICVRSEPGVWXMDJ-UHFFFAOYSA-N 0 0 331.210 2.515 40 0 EFABRN Cc1cc(CN2Cc3cccn3C[C@@H](OCc3ccncc3)C2)no1 ZINC000247881450 474220740 /nfs/dbraw/zinc/22/07/40/474220740.db2.gz CAEUDDCRYIVKGZ-IBGZPJMESA-N 0 0 338.411 2.781 40 0 EFABRN CCS(=O)(=O)c1ccc(N[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1 ZINC000225517866 474221190 /nfs/dbraw/zinc/22/11/90/474221190.db2.gz ZYHMOIALDHSROS-KGLIPLIRSA-N 0 0 338.473 2.682 40 0 EFABRN CCS(=O)(=O)c1ccc(N2CCC(Cc3nccn3C)CC2)cc1 ZINC000225518160 474221358 /nfs/dbraw/zinc/22/13/58/474221358.db2.gz DGYIYLPVUPWCAI-UHFFFAOYSA-N 0 0 347.484 2.673 40 0 EFABRN 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/nfs/dbraw/zinc/22/66/82/474226682.db2.gz SPPUAOMCXVZHBQ-UHFFFAOYSA-N 0 0 337.770 2.679 40 0 EFABRN Cc1cc(CN2Cc3cccn3C[C@@H](OCc3cccnc3)C2)no1 ZINC000247934208 474227634 /nfs/dbraw/zinc/22/76/34/474227634.db2.gz RRLJPYDGYFCXIQ-IBGZPJMESA-N 0 0 338.411 2.781 40 0 EFABRN CS(=O)(=O)c1cc(-c2nc(Cc3cccc(F)c3)no2)cs1 ZINC000225588227 474227669 /nfs/dbraw/zinc/22/76/69/474227669.db2.gz DSJRSWYRWVJFOV-UHFFFAOYSA-N 0 0 338.385 2.932 40 0 EFABRN C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594159 474227789 /nfs/dbraw/zinc/22/77/89/474227789.db2.gz QFCOUJJHCGYIFM-UHFFFAOYSA-N 0 0 329.238 2.739 40 0 EFABRN O=C(N[C@@H]1CCC[C@@H](O)C1)c1cccnc1OCc1ccccc1F ZINC000225625641 474230301 /nfs/dbraw/zinc/23/03/01/474230301.db2.gz UFECVPICJGYVHR-HUUCEWRRSA-N 0 0 344.386 2.833 40 0 EFABRN CO[C@]1(CNC(=O)c2cc(Br)cs2)CCSC1 ZINC000225623416 474230421 /nfs/dbraw/zinc/23/04/21/474230421.db2.gz ZHOLBXILVQGSFD-NSHDSACASA-N 0 0 336.276 2.763 40 0 EFABRN CC[C@@H](C)n1ncc(C(=O)NCCc2ccc3c(c2)OCCO3)c1C ZINC000225619522 474230778 /nfs/dbraw/zinc/23/07/78/474230778.db2.gz NTFCLCWUAHJYGG-CYBMUJFWSA-N 0 0 343.427 2.906 40 0 EFABRN O=C(C1CC1)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 ZINC000247952353 474231899 /nfs/dbraw/zinc/23/18/99/474231899.db2.gz UDFVAGSLWXJJBS-SFHVURJKSA-N 0 0 344.455 2.796 40 0 EFABRN COCc1nc(C(=O)NC2=NO[C@H](C)C2)c(-c2ccccc2)s1 ZINC000225667138 474234453 /nfs/dbraw/zinc/23/44/53/474234453.db2.gz GNGXFQDLRMHBQT-SNVBAGLBSA-N 0 0 331.397 2.809 40 0 EFABRN CCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225708282 474236493 /nfs/dbraw/zinc/23/64/93/474236493.db2.gz IHCVMZPQIGYCDF-UHFFFAOYSA-N 0 0 328.459 2.722 40 0 EFABRN CCC(CC)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC ZINC000225699357 474236653 /nfs/dbraw/zinc/23/66/53/474236653.db2.gz SYMBNYOXPKGTRD-UHFFFAOYSA-N 0 0 328.459 2.550 40 0 EFABRN Cc1ccc(CC[C@H](C)NC(=O)NCc2ncnn2C(C)(C)C)o1 ZINC000225694757 474236938 /nfs/dbraw/zinc/23/69/38/474236938.db2.gz JVZIIVIUICHIMZ-LBPRGKRZSA-N 0 0 333.436 2.755 40 0 EFABRN NC(=O)[C@H](Cc1ccc(F)cc1)SCC(=O)Nc1ccccc1 ZINC000225691207 474237522 /nfs/dbraw/zinc/23/75/22/474237522.db2.gz OHPOWRQKHDQREE-HNNXBMFYSA-N 0 0 332.400 2.594 40 0 EFABRN O=C(CSc1ccc2nnc(C(F)F)n2n1)Nc1ccccc1 ZINC000225698762 474237595 /nfs/dbraw/zinc/23/75/95/474237595.db2.gz GCNAYHVYEBCFMX-UHFFFAOYSA-N 0 0 335.339 2.793 40 0 EFABRN CC(C)c1nc(Cc2ccc(NC(=O)c3cnn(C)c3)cc2)no1 ZINC000225888473 474238725 /nfs/dbraw/zinc/23/87/25/474238725.db2.gz KEVKFIIXJOIYDZ-UHFFFAOYSA-N 0 0 325.372 2.770 40 0 EFABRN CCCN1c2ccc(C(=O)NC(C)(C)C)cc2S(=O)(=O)N=C1C ZINC000225866475 474239027 /nfs/dbraw/zinc/23/90/27/474239027.db2.gz JZRRDDZFCFYDPW-UHFFFAOYSA-N 0 0 337.445 2.552 40 0 EFABRN CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccccc2C)CC1 ZINC000226258494 474239790 /nfs/dbraw/zinc/23/97/90/474239790.db2.gz QHYYVZUCFHBTLN-UHFFFAOYSA-N 0 0 338.455 2.971 40 0 EFABRN Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccc(F)c1 ZINC000226264258 474240173 /nfs/dbraw/zinc/24/01/73/474240173.db2.gz LXESGODMQCIGIN-UHFFFAOYSA-N 0 0 329.375 2.805 40 0 EFABRN COc1cccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2C)c1 ZINC000226264353 474240451 /nfs/dbraw/zinc/24/04/51/474240451.db2.gz TZGXSKPRAPJQLI-UHFFFAOYSA-N 0 0 341.411 2.675 40 0 EFABRN COc1cc(NC(=O)c2ccc(F)cc2)cc2sc(=NN)[nH]c21 ZINC000226310037 474241316 /nfs/dbraw/zinc/24/13/16/474241316.db2.gz UZWSDRSAOXLLCE-UHFFFAOYSA-N 0 0 332.360 2.982 40 0 EFABRN Cc1nnc(N2CC3(C2)C[C@@H](OCc2cncc(C)c2)CCO3)s1 ZINC000248010800 474244239 /nfs/dbraw/zinc/24/42/39/474244239.db2.gz IXQAAZAFHGCUDF-HNNXBMFYSA-N 0 0 346.456 2.505 40 0 EFABRN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188966592 474247906 /nfs/dbraw/zinc/24/79/06/474247906.db2.gz VYRFFIDRHMYDGI-GXFFZTMASA-N 0 0 342.296 2.530 40 0 EFABRN Cc1ncsc1CN1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000248031511 474248844 /nfs/dbraw/zinc/24/88/44/474248844.db2.gz MBMGGQSOUNLQNV-AWEZNQCLSA-N 0 0 331.441 2.516 40 0 EFABRN CS[C@@H]1CC[C@H](NC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)C1 ZINC000230110181 474258548 /nfs/dbraw/zinc/25/85/48/474258548.db2.gz 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349.456 2.813 40 0 EFABRN CO[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000585140884 479298567 /nfs/dbraw/zinc/29/85/67/479298567.db2.gz KYTIHGYONPBPNS-CQSZACIVSA-N 0 0 333.215 2.627 40 0 EFABRN Cc1ccc(C)n1-c1c(C(=O)N2CCc3nc(F)ccc32)cnn1C ZINC000585141612 479298668 /nfs/dbraw/zinc/29/86/68/479298668.db2.gz VYSSRBQLYMVKFX-UHFFFAOYSA-N 0 0 339.374 2.565 40 0 EFABRN NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cs1 ZINC000585141057 479298816 /nfs/dbraw/zinc/29/88/16/479298816.db2.gz OLLZUKNNXWEJKV-UHFFFAOYSA-N 0 0 336.438 2.527 40 0 EFABRN O=C(NC1CC1)c1cccc(CNC(=O)C2(Nc3ccccc3)CC2)c1 ZINC000585140756 479298833 /nfs/dbraw/zinc/29/88/33/479298833.db2.gz JFKCKNYVCLVTCQ-UHFFFAOYSA-N 0 0 349.434 2.840 40 0 EFABRN COc1cc(F)c(F)cc1NC(=O)NCc1nc(C(F)F)no1 ZINC000585141737 479299977 /nfs/dbraw/zinc/29/99/77/479299977.db2.gz XLALFTOIYUNYIC-UHFFFAOYSA-N 0 0 334.229 2.616 40 0 EFABRN Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2coc3cc(C)ccc23)n1 ZINC000585181447 479301426 /nfs/dbraw/zinc/30/14/26/479301426.db2.gz 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O=C(c1c(F)cccc1F)N1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000019292642 212012974 /nfs/dbraw/zinc/01/29/74/212012974.db2.gz WGVCLINZFBLZRO-JTQLQIEISA-N 0 0 343.337 2.651 40 0 EFABRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccc(F)cn2)C1 ZINC000078111073 217023762 /nfs/dbraw/zinc/02/37/62/217023762.db2.gz GFAYGXXNQZYANP-CYBMUJFWSA-N 0 0 336.411 2.627 40 0 EFABRN COC(=O)[C@@H]1CN(C(=O)c2nc(C)n3ccccc23)c2ccccc21 ZINC000078113645 217023767 /nfs/dbraw/zinc/02/37/67/217023767.db2.gz BWUFHGSBGNBOFI-CQSZACIVSA-N 0 0 335.363 2.560 40 0 EFABRN O=c1cc([C@@H]2CCCN(Cc3cccc(F)c3F)C2)n2c(n1)CCC2 ZINC000019292725 212012520 /nfs/dbraw/zinc/01/25/20/212012520.db2.gz XEEIRYVTLZEXMC-CYBMUJFWSA-N 0 0 345.393 2.847 40 0 EFABRN CCCNC(=O)c1cccc(C(=O)N(C)C2CCC(OC)CC2)c1 ZINC000078115240 217024009 /nfs/dbraw/zinc/02/40/09/217024009.db2.gz LVDGUEXZRXBEPC-UHFFFAOYSA-N 0 0 332.444 2.856 40 0 EFABRN CCCCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000049702965 214027763 /nfs/dbraw/zinc/02/77/63/214027763.db2.gz 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CCc1nc(C[S@@](=O)[C@@H](C)C(=O)NCc2cccs2)cs1 ZINC000079324543 217208029 /nfs/dbraw/zinc/20/80/29/217208029.db2.gz MDBAUVXUWWRHMH-CWKPULSASA-N 0 0 342.511 2.721 40 0 EFABRN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@](C)(O)c1ccsc1 ZINC000110614955 220049364 /nfs/dbraw/zinc/04/93/64/220049364.db2.gz XNHCWIJCVSTZBQ-HACGYAERSA-N 0 0 340.489 2.706 40 0 EFABRN COc1ccc(F)cc1C[S@@](=O)CC(=O)NCC1CCCCC1 ZINC000079324403 217208365 /nfs/dbraw/zinc/20/83/65/217208365.db2.gz LBDNBZUMWUNAFT-QHCPKHFHSA-N 0 0 341.448 2.780 40 0 EFABRN COc1cccc(C[S@@](=O)CC(=O)N[C@H](C)c2ccccc2)c1 ZINC000079324336 217208439 /nfs/dbraw/zinc/20/84/39/217208439.db2.gz YRLRWSNIKHESIB-FATZIPQQSA-N 0 0 331.437 2.821 40 0 EFABRN CCCNC(=O)[C@H](C)[S@](=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000079324652 217208795 /nfs/dbraw/zinc/20/87/95/217208795.db2.gz MQKIWYLQRAUMOT-RULNZOCKSA-N 0 0 338.404 2.644 40 0 EFABRN C[C@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 ZINC000110646588 220050871 /nfs/dbraw/zinc/05/08/71/220050871.db2.gz 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Cc1cc(CC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)[nH]n1 ZINC000153312199 224086711 /nfs/dbraw/zinc/08/67/11/224086711.db2.gz VFIWGPDPWFOPQN-UHFFFAOYSA-N 0 0 346.862 2.649 40 0 EFABRN Cc1cc(N(C)C)ccc1NC(=O)C(=O)NC[C@@H](C)c1cccs1 ZINC000096416104 218776412 /nfs/dbraw/zinc/77/64/12/218776412.db2.gz LGYNSKQXFVZMQG-CYBMUJFWSA-N 0 0 345.468 2.981 40 0 EFABRN CCn1cnc2c1ncnc2N1CCN(c2cc(C)ccc2C)CC1 ZINC000268797693 252248964 /nfs/dbraw/zinc/24/89/64/252248964.db2.gz CIVHTELWQIJUHV-UHFFFAOYSA-N 0 0 336.443 2.790 40 0 EFABRN O=C(CC1=CCCCC1)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000096417168 218778222 /nfs/dbraw/zinc/77/82/22/218778222.db2.gz QVYAVQMNHAQGIP-OAHLLOKOSA-N 0 0 326.396 2.721 40 0 EFABRN CC(C)(C)c1ncc(NC(=O)NC[C@](C)(O)c2cccs2)cn1 ZINC000096418024 218779938 /nfs/dbraw/zinc/77/99/38/218779938.db2.gz XDIDVCXEOIHQAT-INIZCTEOSA-N 0 0 334.445 2.865 40 0 EFABRN CC(C)[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1ccccn1 ZINC000096418684 218781759 /nfs/dbraw/zinc/78/17/59/218781759.db2.gz VYAYBHHVHDWLLF-KRWDZBQOSA-N 0 0 345.830 2.978 40 0 EFABRN CC1(C)CCN1C(=O)CCc1nc2ccccc2c(=O)n1C1CC1 ZINC000096418542 218782158 /nfs/dbraw/zinc/78/21/58/218782158.db2.gz STHOGSOKYRTXCO-UHFFFAOYSA-N 0 0 325.412 2.675 40 0 EFABRN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(CNC(C)=O)o2)C12CCCC2 ZINC000096419214 218782698 /nfs/dbraw/zinc/78/26/98/218782698.db2.gz CRVWFYCJSLGFIZ-SJORKVTESA-N 0 0 348.443 2.726 40 0 EFABRN COCc1c(Br)cccc1NC(=O)NC[C@@H](O)C(C)C ZINC000096420168 218783808 /nfs/dbraw/zinc/78/38/08/218783808.db2.gz COTGLUWPOYFOBX-CYBMUJFWSA-N 0 0 345.237 2.734 40 0 EFABRN C[S@](=O)c1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 ZINC000096420221 218784028 /nfs/dbraw/zinc/78/40/28/218784028.db2.gz UVCXHNGWLQQIFT-OYHNWAKOSA-N 0 0 338.454 2.515 40 0 EFABRN Cc1cnn(CC(=O)N(Cc2ccc(F)cc2)CC(F)(F)F)c1 ZINC000096425757 218795163 /nfs/dbraw/zinc/79/51/63/218795163.db2.gz UASKGADMIQBSMD-UHFFFAOYSA-N 0 0 329.297 2.922 40 0 EFABRN C[C@@H](NC(=O)CCc1ccco1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096425851 218795277 /nfs/dbraw/zinc/79/52/77/218795277.db2.gz BXWIVPLLSXLTBJ-LLVKDONJSA-N 0 0 339.388 2.632 40 0 EFABRN O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)[C@@H]1COCCO1 ZINC000096426013 218795497 /nfs/dbraw/zinc/79/54/97/218795497.db2.gz TYBZXXKLQXWMLL-ZDUSSCGKSA-N 0 0 329.318 2.616 40 0 EFABRN Cc1cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)ccc1-n1cncn1 ZINC000096426383 218796134 /nfs/dbraw/zinc/79/61/34/218796134.db2.gz KOTCFVHUIOEMLQ-CYBMUJFWSA-N 0 0 336.399 2.996 40 0 EFABRN CCCn1nccc1NC(=O)[C@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000096421664 218788349 /nfs/dbraw/zinc/78/83/49/218788349.db2.gz CQCVPZZAYONCEA-CQSZACIVSA-N 0 0 348.353 2.563 40 0 EFABRN CSCC[C@H](C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 ZINC000096422384 218789839 /nfs/dbraw/zinc/78/98/39/218789839.db2.gz MTWIEBHVYCOMPU-LBPRGKRZSA-N 0 0 338.448 2.753 40 0 EFABRN O=C(COC1CCCC1)Nc1ccc(I)cn1 ZINC000096423211 218789859 /nfs/dbraw/zinc/78/98/59/218789859.db2.gz STIRGCTXQQBDPL-UHFFFAOYSA-N 0 0 346.168 2.584 40 0 EFABRN Cc1noc(CCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)n1 ZINC000096423013 218790090 /nfs/dbraw/zinc/79/00/90/218790090.db2.gz YLYJVVBKNVYVBW-ZDUSSCGKSA-N 0 0 348.834 2.749 40 0 EFABRN CCn1nc(C(C)C)cc1C(=O)Nc1sccc1S(C)(=O)=O ZINC000096425223 218793775 /nfs/dbraw/zinc/79/37/75/218793775.db2.gz AJTNHXOHZKSMSU-UHFFFAOYSA-N 0 0 341.458 2.744 40 0 EFABRN COCCOc1ccc(CNC(=O)c2cc3cccc(F)c3o2)cn1 ZINC000096425026 218793844 /nfs/dbraw/zinc/79/38/44/218793844.db2.gz XRPGCXKDATYXDR-UHFFFAOYSA-N 0 0 344.342 2.922 40 0 EFABRN CCn1c(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)nc2ccccc21 ZINC000096425002 218793935 /nfs/dbraw/zinc/79/39/35/218793935.db2.gz YFJOPWWQZWTSDM-INIZCTEOSA-N 0 0 339.370 2.815 40 0 EFABRN CCC(=O)NCC(=O)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000096426657 218797206 /nfs/dbraw/zinc/79/72/06/218797206.db2.gz KEFIZKRNXFEKDH-UHFFFAOYSA-N 0 0 348.349 2.900 40 0 EFABRN O=C(c1cccnc1NC[C@@H](O)c1ccc(F)cc1)N1CCCCC1 ZINC000096427321 218798540 /nfs/dbraw/zinc/79/85/40/218798540.db2.gz WCMJRRBPQVNNAO-QGZVFWFLSA-N 0 0 343.402 2.992 40 0 EFABRN C[C@H](NS(=O)(=O)CC1CCOCC1)c1ccc2c(c1)CCCC2 ZINC000096427631 218799534 /nfs/dbraw/zinc/79/95/34/218799534.db2.gz IZIUKOCVWMHHDG-AWEZNQCLSA-N 0 0 337.485 2.972 40 0 EFABRN COc1ccc([C@H]2c3cc4c(cc3O[C@H](O)[C@@H]2C)OCO4)c(OC)c1 ZINC000005765747 210531160 /nfs/dbraw/zinc/53/11/60/210531160.db2.gz GRNPZTMDKIYWLR-TWOIEQCOSA-N 0 0 344.363 2.911 40 0 EFABRN C/C(=C\C(=O)NCC(C)(C)C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096430624 218803980 /nfs/dbraw/zinc/80/39/80/218803980.db2.gz VDCAPMZNADBQDT-JXMROGBWSA-N 0 0 328.334 2.736 40 0 EFABRN CC(=O)NCCCNC(=O)C[C@@H](C)c1ccccc1Br ZINC000096430569 218804407 /nfs/dbraw/zinc/80/44/07/218804407.db2.gz SAVJFHHGCWPSFR-LLVKDONJSA-N 0 0 341.249 2.585 40 0 EFABRN Cc1cnn(-c2ccc([C@@H](C)NC(=O)C3CCOCC3)cc2F)c1 ZINC000096431527 218805739 /nfs/dbraw/zinc/80/57/39/218805739.db2.gz LHZNBZUBSWJDEP-CYBMUJFWSA-N 0 0 331.391 2.924 40 0 EFABRN CC[C@@H](NC(=O)CNC(=O)c1cc2ccccc2[nH]1)c1nccs1 ZINC000096431179 218805809 /nfs/dbraw/zinc/80/58/09/218805809.db2.gz HUVIJTBTSDIOED-GFCCVEGCSA-N 0 0 342.424 2.622 40 0 EFABRN C[C@H](CNC(=O)C1CCOCC1)Oc1cccc(Br)c1 ZINC000096431864 218806739 /nfs/dbraw/zinc/80/67/39/218806739.db2.gz MTBLARMXNMWVKB-LLVKDONJSA-N 0 0 342.233 2.759 40 0 EFABRN O=C(COC[C@H]1CCCO1)N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000096432711 218808978 /nfs/dbraw/zinc/80/89/78/218808978.db2.gz HDRFWPKLWPWHAD-DYVFJYSZSA-N 0 0 325.355 2.728 40 0 EFABRN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cn2nc(C)ccc2=O)o1 ZINC000096433248 218809479 /nfs/dbraw/zinc/80/94/79/218809479.db2.gz DOEXMTCCFLGVOL-BBRMVZONSA-N 0 0 343.427 2.707 40 0 EFABRN Cn1ncnc1CNC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000096433784 218810532 /nfs/dbraw/zinc/81/05/32/218810532.db2.gz ZFHBDTRFANRPTE-UHFFFAOYSA-N 0 0 348.838 2.781 40 0 EFABRN CCOc1ccc(Br)cc1NC(=O)NC[C@H](C)CCO ZINC000096434606 218811943 /nfs/dbraw/zinc/81/19/43/218811943.db2.gz UGEKALUCQLVNCC-SNVBAGLBSA-N 0 0 345.237 2.988 40 0 EFABRN C[S@](=O)CCNC(=O)Nc1cc(F)ccc1SCC(F)F ZINC000096435079 218812823 /nfs/dbraw/zinc/81/28/23/218812823.db2.gz VZVWZFLOCCZTDG-OAQYLSRUSA-N 0 0 340.392 2.683 40 0 EFABRN CSc1c(Cl)cccc1NC(=O)N[C@H](C)Cn1cncn1 ZINC000096435389 218813736 /nfs/dbraw/zinc/81/37/36/218813736.db2.gz JZYVPNPBJCSBRA-SECBINFHSA-N 0 0 325.825 2.864 40 0 EFABRN Cc1cc(CNC(=O)N2CC[C@H](COCc3ccccc3)C2)no1 ZINC000096439472 218819236 /nfs/dbraw/zinc/81/92/36/218819236.db2.gz JFYIEDVPTSWUQN-INIZCTEOSA-N 0 0 329.400 2.731 40 0 EFABRN CS[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc(-n2cccn2)cc1 ZINC000096439245 218819319 /nfs/dbraw/zinc/81/93/19/218819319.db2.gz NNWZOXAGISINND-JKSUJKDBSA-N 0 0 330.457 2.956 40 0 EFABRN Cc1csc([C@H](C)NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)n1 ZINC000096439746 218819516 /nfs/dbraw/zinc/81/95/16/218819516.db2.gz QFMPEEUCTZEMRP-MEDUHNTESA-N 0 0 337.445 2.929 40 0 EFABRN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)NCC1=COCCO1 ZINC000096440141 218821019 /nfs/dbraw/zinc/82/10/19/218821019.db2.gz MDXQYZFHHUFUEI-LLVKDONJSA-N 0 0 344.333 2.824 40 0 EFABRN O=C(NCc1cccc(-n2cncn2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000096440426 218821118 /nfs/dbraw/zinc/82/11/18/218821118.db2.gz 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ZINC000096437495 218818148 /nfs/dbraw/zinc/81/81/48/218818148.db2.gz AYOBBUBGSOFYDD-IBGZPJMESA-N 0 0 339.395 2.720 40 0 EFABRN C[C@@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)Cc1cccc(F)c1 ZINC000096444749 218826613 /nfs/dbraw/zinc/82/66/13/218826613.db2.gz JVIPCRXEDJBLLG-RHSMWYFYSA-N 0 0 344.434 2.523 40 0 EFABRN CC[C@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)c1noc(C)n1 ZINC000096445903 218828027 /nfs/dbraw/zinc/82/80/27/218828027.db2.gz CKCXAUHJHHZVDA-NSHDSACASA-N 0 0 326.303 2.938 40 0 EFABRN COC(=O)N1CCCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000096446779 218829982 /nfs/dbraw/zinc/82/99/82/218829982.db2.gz IECZHQYMAJXLKX-UHFFFAOYSA-N 0 0 331.199 2.908 40 0 EFABRN C[C@@H](Oc1ccc(-n2cnnn2)cc1)c1nnc(-c2ccccc2)o1 ZINC000096448236 218831465 /nfs/dbraw/zinc/83/14/65/218831465.db2.gz UHRUTAIYSSVJHM-GFCCVEGCSA-N 0 0 334.339 2.852 40 0 EFABRN CN(Cc1cccs1)C(=O)C[S@@](=O)Cc1ccc(F)c(F)c1 ZINC000096448126 218831719 /nfs/dbraw/zinc/83/17/19/218831719.db2.gz WQFGFWJDQRBUBB-JOCHJYFZSA-N 0 0 343.420 2.934 40 0 EFABRN Cn1cc(CC(=O)N2CC(OCc3cccc4ccccc43)C2)cn1 ZINC000096449939 218832995 /nfs/dbraw/zinc/83/29/95/218832995.db2.gz NAQWPWHATXZGRJ-UHFFFAOYSA-N 0 0 335.407 2.543 40 0 EFABRN C[C@H](C(=O)N[C@H]1CCN(c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000096451317 218834207 /nfs/dbraw/zinc/83/42/07/218834207.db2.gz FEVSEHSZRNUPLO-ZFWWWQNUSA-N 0 0 338.411 2.665 40 0 EFABRN CCc1[nH]n(C)c2nnc(NC(=O)C3(c4ccccc4F)CC3)c1-2 ZINC000096452845 218836691 /nfs/dbraw/zinc/83/66/91/218836691.db2.gz VFXWDCGXLMQDLC-UHFFFAOYSA-N 0 0 327.363 2.668 40 0 EFABRN CC(C)S(=O)(=O)CC(=O)N[C@@H](c1cccc(F)c1)C(C)(C)C ZINC000096454803 218838417 /nfs/dbraw/zinc/83/84/17/218838417.db2.gz BWBAIMBKNVFARF-HNNXBMFYSA-N 0 0 329.437 2.852 40 0 EFABRN Cn1ccc(C(=O)OCc2cc(F)cc(Br)c2)cc1=O ZINC000096451950 218835275 /nfs/dbraw/zinc/83/52/75/218835275.db2.gz UJIJQODDVRPETP-UHFFFAOYSA-N 0 0 340.148 2.644 40 0 EFABRN CS(=O)(=O)CCSCc1ccc(Br)c(F)c1 ZINC000096451929 218835332 /nfs/dbraw/zinc/83/53/32/218835332.db2.gz TXZUAMLIVYDNSA-UHFFFAOYSA-N 0 0 327.240 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ZINC000181941835 533703646 /nfs/dbraw/zinc/70/36/46/533703646.db2.gz IWWMXIBPOZSKSC-CQSZACIVSA-N 0 0 345.468 2.979 40 0 EFABRN Cc1noc(C)c1CCN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC000097098200 323213272 /nfs/dbraw/zinc/21/32/72/323213272.db2.gz BVDHOQKVZQYNER-IBGZPJMESA-N 0 0 341.411 2.777 40 0 EFABRN CNC(=O)CC(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1 ZINC000097097243 323213278 /nfs/dbraw/zinc/21/32/78/323213278.db2.gz PCZNGGBQKJSGNR-UHFFFAOYSA-N 0 0 330.359 2.679 40 0 EFABRN CC(C)c1nnc(CN2CCOC[C@H]2CC(=O)c2cccs2)o1 ZINC000097096044 323213475 /nfs/dbraw/zinc/21/34/75/323213475.db2.gz JTZJRMWJEXVLMV-GFCCVEGCSA-N 0 0 335.429 2.728 40 0 EFABRN COc1ccc(-c2nnc(CNC(=O)c3cc(C(C)C)on3)[nH]2)cc1 ZINC000097230321 323213899 /nfs/dbraw/zinc/21/38/99/323213899.db2.gz IEXLSIGMBMIJDK-UHFFFAOYSA-N 0 0 341.371 2.522 40 0 EFABRN O=C(NC[C@H]1Cc2ccccc2O1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234600 323213977 /nfs/dbraw/zinc/21/39/77/323213977.db2.gz NJJNZCSDTWAGSZ-CVEARBPZSA-N 0 0 326.400 2.650 40 0 EFABRN 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Cc1cc(C)nc(-n2ncc3c2C[C@@H](c2ccccc2O)CC3=O)n1 ZINC000014164277 471856339 /nfs/dbraw/zinc/85/63/39/471856339.db2.gz GUJBWPFEQQYJBE-CYBMUJFWSA-N 0 0 334.379 2.897 40 0 EFABRN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1C ZINC000014159455 471856525 /nfs/dbraw/zinc/85/65/25/471856525.db2.gz FLHMYVKYPFZKMR-ZDUSSCGKSA-N 0 0 333.457 2.928 40 0 EFABRN CCOC(=O)[C@@H]1C(=O)N(C)c2nc3ccccc3n2[C@H]1c1ccccc1 ZINC000014162842 471856596 /nfs/dbraw/zinc/85/65/96/471856596.db2.gz SKYQNNMVSVUNTF-IRXDYDNUSA-N 0 0 349.390 2.781 40 0 EFABRN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000014220319 471863473 /nfs/dbraw/zinc/86/34/73/471863473.db2.gz SGKBKCOTXJAMFH-NSHDSACASA-N 0 0 339.388 2.882 40 0 EFABRN Cc1c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cnn1C ZINC000014254900 471866601 /nfs/dbraw/zinc/86/66/01/471866601.db2.gz BFWYOTFJHDBWGB-UHFFFAOYSA-N 0 0 337.298 2.687 40 0 EFABRN NC(=O)Cc1csc(NC(=O)c2cc(Cl)sc2Cl)n1 ZINC000014331915 471869609 /nfs/dbraw/zinc/86/96/09/471869609.db2.gz 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/nfs/dbraw/zinc/89/31/46/471893146.db2.gz CYMZEPQZCZTKPK-LBPRGKRZSA-N 0 0 333.409 2.590 40 0 EFABRN Cc1cccc(OCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000015197551 471893468 /nfs/dbraw/zinc/89/34/68/471893468.db2.gz VALOJRVULLSKPW-AWEZNQCLSA-N 0 0 347.436 2.655 40 0 EFABRN CC(C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015267103 471894664 /nfs/dbraw/zinc/89/46/64/471894664.db2.gz CNXGTTDCKIDDKO-UHFFFAOYSA-N 0 0 332.425 2.650 40 0 EFABRN Cc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 ZINC000015281062 471896291 /nfs/dbraw/zinc/89/62/91/471896291.db2.gz HPFQLZBLGLLMRR-UHFFFAOYSA-N 0 0 343.408 2.866 40 0 EFABRN Cc1ccc(NC(=O)CN(C)C(=O)CNc2cc(F)ccc2C)cc1 ZINC000015292410 471896322 /nfs/dbraw/zinc/89/63/22/471896322.db2.gz COQZNPJQIQRXJN-UHFFFAOYSA-N 0 0 343.402 2.952 40 0 EFABRN CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3C)ccc21 ZINC000015323659 471898914 /nfs/dbraw/zinc/89/89/14/471898914.db2.gz HTQYPKMXPBZXDD-UHFFFAOYSA-N 0 0 331.393 2.672 40 0 EFABRN O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(Cc2ccc(F)cc2)C1 ZINC000015674496 471914033 /nfs/dbraw/zinc/91/40/33/471914033.db2.gz GEELJXQSLADKLK-CVEARBPZSA-N 0 0 340.358 2.579 40 0 biogenic,in-vitro EFABRN CC(C)NC(=O)[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(Cl)cc1 ZINC000015676310 471914418 /nfs/dbraw/zinc/91/44/18/471914418.db2.gz QETXBMGIRNEOSC-INIZCTEOSA-N 0 0 332.835 2.515 40 0 biogenic,in-vitro EFABRN Cc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000015674515 471914603 /nfs/dbraw/zinc/91/46/03/471914603.db2.gz UENMZHLAVJCRRU-SJORKVTESA-N 0 0 336.395 2.748 40 0 biogenic,in-vitro EFABRN CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015840795 471919910 /nfs/dbraw/zinc/91/99/10/471919910.db2.gz CBZPIAAAEFKAPH-UHFFFAOYSA-N 0 0 332.425 2.652 40 0 EFABRN CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000015925024 471921292 /nfs/dbraw/zinc/92/12/92/471921292.db2.gz IJFCICZNYWZURA-CZUORRHYSA-N 0 0 338.860 2.752 40 0 EFABRN O=C(CSc1nnc(-c2ccccc2O)o1)NC1CCCCC1 ZINC000015885033 471921387 /nfs/dbraw/zinc/92/13/87/471921387.db2.gz GNBNYDULQBUFQM-UHFFFAOYSA-N 0 0 333.413 2.983 40 0 EFABRN CCCOc1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000015998495 471923631 /nfs/dbraw/zinc/92/36/31/471923631.db2.gz KIAIRZFIOYPNMH-UHFFFAOYSA-N 0 0 325.372 2.782 40 0 EFABRN Cc1ccc(C)c(OCCC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 ZINC000016510669 471940107 /nfs/dbraw/zinc/94/01/07/471940107.db2.gz RHLYUSDYXADJFK-UHFFFAOYSA-N 0 0 328.412 2.694 40 0 EFABRN CCCCCNC(=O)CN(C)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000016638468 471945472 /nfs/dbraw/zinc/94/54/72/471945472.db2.gz ZQQYPOFKYAZCED-UHFFFAOYSA-N 0 0 340.489 2.539 40 0 EFABRN COc1cc(S(=O)(=O)Nc2cccnc2Cl)c(OC)cc1C ZINC000016780354 471949648 /nfs/dbraw/zinc/94/96/48/471949648.db2.gz QAFFVPKNEQBKAI-UHFFFAOYSA-N 0 0 342.804 2.861 40 0 EFABRN CCc1ccc(NC(=O)Cn2ncn(-n3cccc3)c2=S)cc1 ZINC000016777703 471949632 /nfs/dbraw/zinc/94/96/32/471949632.db2.gz PMLVSBFRUYYJOE-UHFFFAOYSA-N 0 0 327.413 2.728 40 0 EFABRN COCCn1c(C)cc(NCCc2c[nH]c3ccccc23)cc1=O ZINC000016790156 471949784 /nfs/dbraw/zinc/94/97/84/471949784.db2.gz PQRGWGXIMMTAES-UHFFFAOYSA-N 0 0 325.412 2.939 40 0 EFABRN Cc1cc(NCc2ccccc2)c(C=O)c(=O)n1C[C@@H]1CCCO1 ZINC000016808049 471950611 /nfs/dbraw/zinc/95/06/11/471950611.db2.gz CMSWXJOZDGEKFR-INIZCTEOSA-N 0 0 326.396 2.760 40 0 EFABRN O=C(Cn1ncn(-n2cccc2)c1=S)Nc1ccc(Cl)cc1 ZINC000016806950 471950960 /nfs/dbraw/zinc/95/09/60/471950960.db2.gz PLAKQTCRQTXVRU-UHFFFAOYSA-N 0 0 333.804 2.819 40 0 EFABRN CN(CCOc1ccccc1F)CC(=O)NCc1ccc(F)cc1 ZINC000016922960 471952222 /nfs/dbraw/zinc/95/22/22/471952222.db2.gz HTNHGSPSYLKUAZ-UHFFFAOYSA-N 0 0 334.366 2.592 40 0 EFABRN CCOc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2OC1=O ZINC000017066728 471954198 /nfs/dbraw/zinc/95/41/98/471954198.db2.gz WJEJUGUBEGYRLE-AWEZNQCLSA-N 0 0 326.352 2.814 40 0 EFABRN CCCc1nc2n(n1)[C@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000017059001 471954363 /nfs/dbraw/zinc/95/43/63/471954363.db2.gz VLXGHUMQPICFER-HNNXBMFYSA-N 0 0 349.394 2.906 40 0 EFABRN O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccco1 ZINC000017304996 471960334 /nfs/dbraw/zinc/96/03/34/471960334.db2.gz ZZSAMEFVWYLFQI-UHFFFAOYSA-N 0 0 327.167 2.633 40 0 EFABRN CC[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1C)c1ccccc1 ZINC000018153687 471970481 /nfs/dbraw/zinc/97/04/81/471970481.db2.gz GYFNBEQGZWFEMJ-AWEZNQCLSA-N 0 0 346.452 2.566 40 0 EFABRN CC(=O)c1c[nH]c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 ZINC000018601562 471975260 /nfs/dbraw/zinc/97/52/60/471975260.db2.gz PAVZQVGJUYWEOC-UHFFFAOYSA-N 0 0 325.320 2.989 40 0 EFABRN COc1ccc([C@H]2CN(C(=O)C(C)C)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019086074 471976384 /nfs/dbraw/zinc/97/63/84/471976384.db2.gz CWQMVKOFGBXHSR-GUDVDZBRSA-N 0 0 344.455 2.657 40 0 EFABRN Cc1c(C(=O)N2CCC[C@@H](c3cc4cc(C)cnc4[nH]3)C2)cnn1C ZINC000019126077 471977266 /nfs/dbraw/zinc/97/72/66/471977266.db2.gz IOGQJZIHDNYVTQ-CQSZACIVSA-N 0 0 337.427 2.933 40 0 EFABRN Cc1csc2c1nc1n(c2=O)CCN(Cc2cccs2)CC1 ZINC000019240336 471978365 /nfs/dbraw/zinc/97/83/65/471978365.db2.gz UNCIKMXBNMNTJP-UHFFFAOYSA-N 0 0 331.466 2.886 40 0 EFABRN O=C(c1cccc(F)c1)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 ZINC000019403018 471979790 /nfs/dbraw/zinc/97/97/90/471979790.db2.gz SPLWCQDLUVSQFA-CYBMUJFWSA-N 0 0 338.342 2.900 40 0 EFABRN Fc1ccc(OCc2cc([C@H]3CCN(c4ncccn4)C3)n[nH]2)cc1 ZINC000019704516 471983543 /nfs/dbraw/zinc/98/35/43/471983543.db2.gz WNNKSZLOYTWJHA-ZDUSSCGKSA-N 0 0 339.374 2.912 40 0 EFABRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2ncncc2c1 ZINC000033438921 471984012 /nfs/dbraw/zinc/98/40/12/471984012.db2.gz NGEGOWSKXWKORC-UHFFFAOYSA-N 0 0 338.392 2.845 40 0 EFABRN COc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000033602664 471985506 /nfs/dbraw/zinc/98/55/06/471985506.db2.gz NXGOJWFDTDDQOA-UHFFFAOYSA-N 0 0 337.397 2.538 40 0 EFABRN COc1ccccc1N1CCN(C(=O)c2cccc(N)c2C)CC1 ZINC000020194441 471988366 /nfs/dbraw/zinc/98/83/66/471988366.db2.gz MLXUTIVWYKTQBJ-UHFFFAOYSA-N 0 0 325.412 2.548 40 0 EFABRN O=C(OC[C@H]1C[C@H](O)[C@@H]1COC(=O)c1ccccc1)c1ccccc1 ZINC000034007752 471988644 /nfs/dbraw/zinc/98/86/44/471988644.db2.gz JCLLKKWTDDEQAD-KURKYZTESA-N 0 0 340.375 2.697 40 0 EFABRN C=C1[NH+]=C(SCCC(=O)[O-])N[C@H](c2ccccc2)C1C(=O)OCC ZINC000034702010 471990173 /nfs/dbraw/zinc/99/01/73/471990173.db2.gz PMYXPKHKMRKHEC-OAHLLOKOSA-N 0 0 348.424 2.732 40 0 EFABRN COC(=O)c1cnc(N2CCN(c3cccc(Cl)c3)CC2)nc1C ZINC000020798487 471992485 /nfs/dbraw/zinc/99/24/85/471992485.db2.gz KLTVQILUYJESEH-UHFFFAOYSA-N 0 0 346.818 2.552 40 0 EFABRN CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)c(C)c3[nH]c2=O)C1=O ZINC000021596701 472002460 /nfs/dbraw/zinc/00/24/60/472002460.db2.gz UXPZLVOZIJNELI-LLNARGLGSA-N 0 0 341.392 2.543 40 0 EFABRN Cc1ccc(N2CN=C(c3ccccc3)N=C2SCC(N)=O)cc1 ZINC000021806105 472005350 /nfs/dbraw/zinc/00/53/50/472005350.db2.gz DGQBQADOXBXTMA-UHFFFAOYSA-N 0 0 338.436 2.794 40 0 EFABRN CC(C)NC(=S)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000022025288 472008895 /nfs/dbraw/zinc/00/88/95/472008895.db2.gz QNPGCBYUZFXRIR-UHFFFAOYSA-N 0 0 332.395 2.505 40 0 EFABRN Cc1ccc(C)c(N(CC(=O)N(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000022273940 472012239 /nfs/dbraw/zinc/01/22/39/472012239.db2.gz BLIKLFIHRLZRGL-UHFFFAOYSA-N 0 0 346.452 2.587 40 0 EFABRN Cc1cccc(C)c1N(CC(=O)Nc1ccccc1)S(C)(=O)=O ZINC000022273705 472012450 /nfs/dbraw/zinc/01/24/50/472012450.db2.gz LBWUHOMXKCMREG-UHFFFAOYSA-N 0 0 332.425 2.708 40 0 EFABRN COc1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000022364106 472014156 /nfs/dbraw/zinc/01/41/56/472014156.db2.gz SALFVMWRLGNCDL-INIZCTEOSA-N 0 0 339.391 2.958 40 0 EFABRN Cc1nc2ccccc2nc1N1CCN(C(=O)c2cccs2)CC1 ZINC000022659195 472018004 /nfs/dbraw/zinc/01/80/04/472018004.db2.gz RVXRBBYFKIPMHH-UHFFFAOYSA-N 0 0 338.436 2.962 40 0 EFABRN O=Cc1ccc2c(c1)OCCSCCOCCSCCO2 ZINC000038287274 472019047 /nfs/dbraw/zinc/01/90/47/472019047.db2.gz SRRPITAESQUHOW-UHFFFAOYSA-N 0 0 328.455 2.753 40 0 EFABRN C[C@@]1(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1(Cl)Cl ZINC000022870410 472022573 /nfs/dbraw/zinc/02/25/73/472022573.db2.gz PRNSFLYYNOBLAB-AWEZNQCLSA-N 0 0 349.302 2.722 40 0 EFABRN O=S(=O)(c1cn[nH]c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000053644601 472025769 /nfs/dbraw/zinc/02/57/69/472025769.db2.gz TVPOPLWGNMICCG-GFCCVEGCSA-N 0 0 334.426 2.545 40 0 EFABRN COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)C1CC1 ZINC000039983571 472026735 /nfs/dbraw/zinc/02/67/35/472026735.db2.gz RTTWVIZBYXIAJV-GFCCVEGCSA-N 0 0 327.380 2.920 40 0 EFABRN CCN(CC(=O)Nc1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000039985150 472027134 /nfs/dbraw/zinc/02/71/34/472027134.db2.gz ROXNOVDBAPLLLF-UHFFFAOYSA-N 0 0 332.425 2.644 40 0 EFABRN CC(C)(C)c1ccc(CCC(=O)NCCCN2CCOCC2)cc1 ZINC000023227798 472028241 /nfs/dbraw/zinc/02/82/41/472028241.db2.gz QGVXPSRCEXLVNF-UHFFFAOYSA-N 0 0 332.488 2.755 40 0 EFABRN CCOC(=O)Cc1nc(CNc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000040175861 472030488 /nfs/dbraw/zinc/03/04/88/472030488.db2.gz SYQIIRBAAZVIHZ-UHFFFAOYSA-N 0 0 328.294 2.541 40 0 EFABRN Cc1nc2nc3ccn(C)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398381 472032282 /nfs/dbraw/zinc/03/22/82/472032282.db2.gz GBJIKENRIJZWJK-UHFFFAOYSA-N 0 0 325.759 2.605 40 0 EFABRN O=C(Cc1ccccc1F)NCc1ccccc1CN1CCOCC1 ZINC000023955984 472040691 /nfs/dbraw/zinc/04/06/91/472040691.db2.gz XCBSBGYYYSJZSP-UHFFFAOYSA-N 0 0 342.414 2.517 40 0 EFABRN COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1F ZINC000023995639 472042619 /nfs/dbraw/zinc/04/26/19/472042619.db2.gz KLIZATXPQMJZEK-UHFFFAOYSA-N 0 0 328.387 2.792 40 0 EFABRN Cc1noc(C2CCN(C(=O)c3ccn(C4CCCC4)n3)CC2)n1 ZINC000041121728 472045470 /nfs/dbraw/zinc/04/54/70/472045470.db2.gz BDOUXQKCKSYAQH-UHFFFAOYSA-N 0 0 329.404 2.709 40 0 EFABRN CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)CCc3cnn(C)c3)C2)n1 ZINC000041122591 472045606 /nfs/dbraw/zinc/04/56/06/472045606.db2.gz OFJNNJQIAGPHTF-UKRRQHHQSA-N 0 0 345.447 2.655 40 0 EFABRN CN1CCN(C(=O)Cc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000041127120 472046122 /nfs/dbraw/zinc/04/61/22/472046122.db2.gz DACNCNFUSJBZHL-UHFFFAOYSA-N 0 0 335.407 2.811 40 0 EFABRN CCc1noc([C@@H]2CCCCN2C(=O)CCn2nc(C)cc2C)n1 ZINC000041123690 472046375 /nfs/dbraw/zinc/04/63/75/472046375.db2.gz XSJZLQQMCABXAB-AWEZNQCLSA-N 0 0 331.420 2.589 40 0 EFABRN 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O=C(c1cc(F)cc(F)c1)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585277530 479305967 /nfs/dbraw/zinc/30/59/67/479305967.db2.gz WENNPQNVATXPLY-SFHVURJKSA-N 0 0 333.334 2.621 40 0 EFABRN O=C(c1ccc2ncccc2c1)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585276105 479306008 /nfs/dbraw/zinc/30/60/08/479306008.db2.gz LWSOVYWFPLMRHG-NRFANRHFSA-N 0 0 348.402 2.891 40 0 EFABRN Cc1ccccc1OC[C@@]1(O)CC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000585277347 479306036 /nfs/dbraw/zinc/30/60/36/479306036.db2.gz SMKKLAJDWXTLHM-HXUWFJFHSA-N 0 0 341.407 2.709 40 0 EFABRN O=C(CC1(O)CCCCC1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000585277400 479306250 /nfs/dbraw/zinc/30/62/50/479306250.db2.gz TZUKTDREGLMTKK-SJLPKXTDSA-N 0 0 349.446 2.663 40 0 EFABRN CCc1n[nH]cc1C(=O)N1CC[C@H](OC)[C@H](Cc2cccc(F)c2)C1 ZINC000585276343 479306270 /nfs/dbraw/zinc/30/62/70/479306270.db2.gz IKPRASZNCLLZSI-KDOFPFPSSA-N 0 0 345.418 2.831 40 0 EFABRN O=C(CC1(O)CCCCC1)N1CC[C@@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585277975 479306618 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Cc1ncoc1C(=O)N[C@H]1CCCN(C)[C@H]1Cc1cccc(F)c1 ZINC000585280798 479308395 /nfs/dbraw/zinc/30/83/95/479308395.db2.gz PFBLCAXOCNJLRS-HOTGVXAUSA-N 0 0 331.391 2.557 40 0 EFABRN Cc1cnccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)[C@H](CC(=O)[O-])C1 ZINC000585286795 479309088 /nfs/dbraw/zinc/30/90/88/479309088.db2.gz VAJGFKXVXYDUMH-SJLPKXTDSA-N 0 0 341.411 2.529 40 0 EFABRN CO[C@H]1CCN(C(=O)C=Cc2c[nH]cn2)C[C@H]1Cc1ccc(C)cc1 ZINC000585288692 479309513 /nfs/dbraw/zinc/30/95/13/479309513.db2.gz HTVDBLQAQXDNEG-KRZVHVFCSA-N 0 0 339.439 2.838 40 0 EFABRN CO[C@H]1CN(C(=O)C=Cc2c[nH]cn2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585288673 479309565 /nfs/dbraw/zinc/30/95/65/479309565.db2.gz HFPHYXHIRUSCDA-JISXSJDESA-N 0 0 339.439 2.838 40 0 EFABRN Cc1nc(/C=C/C(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)cs1 ZINC000585289026 479309591 /nfs/dbraw/zinc/30/95/91/479309591.db2.gz CBZVYHJBYCTTSH-FEHORCSSSA-N 0 0 342.464 2.917 40 0 EFABRN Cc1ocnc1C(=O)NC[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585285953 479310036 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O=C(C1CC(F)C1)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 ZINC000575404943 479439718 /nfs/dbraw/zinc/43/97/18/479439718.db2.gz FRSCQPQNNMEYSC-SSDMNJCBSA-N 0 0 347.365 2.560 40 0 EFABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)[C@@H]4C[C@@H]4C)C3)C2)n1 ZINC000575404146 479439725 /nfs/dbraw/zinc/43/97/25/479439725.db2.gz QAYXNDDAVKPMPE-VBNZEHGJSA-N 0 0 332.469 2.649 40 0 EFABRN COc1ccccc1CC(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575413920 479441708 /nfs/dbraw/zinc/44/17/08/479441708.db2.gz QWYHDMSESKAMFR-CQSZACIVSA-N 0 0 346.814 2.966 40 0 EFABRN O=Cc1cc(I)ccc1Oc1ncccn1 ZINC000575422129 479443267 /nfs/dbraw/zinc/44/32/67/479443267.db2.gz FWCZNYKYOZTRHF-UHFFFAOYSA-N 0 0 326.093 2.686 40 0 EFABRN Cc1nc(C(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)cs1 ZINC000575604683 479449141 /nfs/dbraw/zinc/44/91/41/479449141.db2.gz CTCTXEKPWJCEIJ-NSHDSACASA-N 0 0 338.820 2.579 40 0 EFABRN CCOc1ncccc1C(=O)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575605371 479449275 /nfs/dbraw/zinc/44/92/75/479449275.db2.gz KHMANJRELICVDV-GFCCVEGCSA-N 0 0 347.802 2.822 40 0 EFABRN CSc1ncccc1C(=O)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575604658 479449347 /nfs/dbraw/zinc/44/93/47/479449347.db2.gz BWJVOYOALYFBAH-CQSZACIVSA-N 0 0 329.425 2.882 40 0 EFABRN Cc1noc(C)c1C(=O)NCCn1nc(C)c(-c2ccco2)c1C ZINC000575606566 479449948 /nfs/dbraw/zinc/44/99/48/479449948.db2.gz MVGKTABESHATAU-UHFFFAOYSA-N 0 0 328.372 2.795 40 0 EFABRN Cc1n[nH]c(C)c1C(=O)N1CCC[C@H](Oc2ccncc2Cl)C1 ZINC000575605428 479449977 /nfs/dbraw/zinc/44/99/77/479449977.db2.gz PLRCNGLVCFEAGV-LBPRGKRZSA-N 0 0 334.807 2.759 40 0 EFABRN O=C(NC[C@H](OCCO)c1cccs1)c1cccc(Cl)c1 ZINC000575605896 479450031 /nfs/dbraw/zinc/45/00/31/479450031.db2.gz AWVHYLCASGQDNT-ZDUSSCGKSA-N 0 0 325.817 2.882 40 0 EFABRN Cc1nccc(O[C@@H]2CCCN(C(=O)CSC3CCCC3)C2)n1 ZINC000575607345 479450122 /nfs/dbraw/zinc/45/01/22/479450122.db2.gz ZZOVQUBSXWHCCV-CQSZACIVSA-N 0 0 335.473 2.831 40 0 EFABRN Cn1ccc(C2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000575607059 479450489 /nfs/dbraw/zinc/45/04/89/479450489.db2.gz JYRGFODFBWAESN-UHFFFAOYSA-N 0 0 338.205 2.795 40 0 EFABRN O=C(c1cccc(Cl)c1)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575607044 479450731 /nfs/dbraw/zinc/45/07/31/479450731.db2.gz WXTALHWMYAVTCQ-AWEZNQCLSA-N 0 0 335.766 2.953 40 0 EFABRN O=S(=O)(c1cccs1)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575607650 479451582 /nfs/dbraw/zinc/45/15/82/479451582.db2.gz VPEQWOMFLWRLTC-JTQLQIEISA-N 0 0 344.845 2.639 40 0 EFABRN O=C(c1cccs1)N1CC[C@@H](c2cccs2)S(=O)(=O)CC1 ZINC000575607767 479451609 /nfs/dbraw/zinc/45/16/09/479451609.db2.gz PDBUWEWUFJBIHK-ZDUSSCGKSA-N 0 0 341.479 2.812 40 0 EFABRN O=C(c1noc2c1CCCC2)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575608111 479451724 /nfs/dbraw/zinc/45/17/24/479451724.db2.gz WJNIUYMGXBLYGO-LLVKDONJSA-N 0 0 347.802 2.895 40 0 EFABRN O=C(CCc1ccc(F)c(Cl)c1)N1CC(n2cc(C3CC3)nn2)C1 ZINC000575608217 479451877 /nfs/dbraw/zinc/45/18/77/479451877.db2.gz RETMSOHQFIYCTK-UHFFFAOYSA-N 0 0 348.809 2.964 40 0 EFABRN O=C(CSC1CCCC1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575608451 479452096 /nfs/dbraw/zinc/45/20/96/479452096.db2.gz 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347.172 2.804 40 0 EFABRN CCO[C@H](C)c1nc(CN2CCN(C(=O)C=C(C)C)CC2)cs1 ZINC000080804457 217334274 /nfs/dbraw/zinc/33/42/74/217334274.db2.gz HUJLCIMDHKYYQW-CQSZACIVSA-N 0 0 337.489 2.851 40 0 EFABRN Cc1cc([C@](C)(O)CNC(=O)Cc2noc3ccccc23)c(C)o1 ZINC000080900045 217337900 /nfs/dbraw/zinc/33/79/00/217337900.db2.gz CBNFXAQNDKYVOL-GOSISDBHSA-N 0 0 328.368 2.604 40 0 EFABRN Cc1nc2[nH]ccc2c(N2CCC[C@H](C(=O)N3CCCCCC3)C2)n1 ZINC000080980145 217346243 /nfs/dbraw/zinc/34/62/43/217346243.db2.gz PULWMJNYVGLCGY-HNNXBMFYSA-N 0 0 341.459 2.885 40 0 EFABRN Cn1cc([C@](C)(O)CNC(=O)C2(c3ccc(Cl)cc3)CCC2)cn1 ZINC000080893186 217338714 /nfs/dbraw/zinc/33/87/14/217338714.db2.gz UOYYACGHLMDHFT-QGZVFWFLSA-N 0 0 347.846 2.519 40 0 EFABRN Cn1ccc(C(=O)N2CC(OCc3cccc4ccccc43)C2)cc1=O ZINC000080941683 217342991 /nfs/dbraw/zinc/34/29/91/217342991.db2.gz JIENLESMZHLAFK-UHFFFAOYSA-N 0 0 348.402 2.580 40 0 EFABRN Cc1nn2cccnc2c1C(=O)NC[C@@H](C)Sc1ccccc1 ZINC000081112141 217363574 /nfs/dbraw/zinc/36/35/74/217363574.db2.gz 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349.416 2.955 40 0 EFABRN Cc1ccc(C(=O)Cn2nc(N)n(Nc3ccco3)c2=S)cc1C ZINC000036625674 472002987 /nfs/dbraw/zinc/00/29/87/472002987.db2.gz NROUYYVSWMVMMR-UHFFFAOYSA-N 0 0 343.412 2.964 40 0 EFABRN CC(C)CCc1cc(=O)[nH]c(N2CCN(c3ccccc3F)CC2)n1 ZINC000022449008 472015190 /nfs/dbraw/zinc/01/51/90/472015190.db2.gz DEFULVBNHNXNFE-UHFFFAOYSA-N 0 0 344.434 2.824 40 0 EFABRN O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)N2N=CNC2=N1 ZINC000038190266 472018587 /nfs/dbraw/zinc/01/85/87/472018587.db2.gz GFIDDCOGALFNSF-INIZCTEOSA-N 0 0 338.342 2.581 40 0 EFABRN O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)N2N=CNC2=N1 ZINC000038190267 472019039 /nfs/dbraw/zinc/01/90/39/472019039.db2.gz GFIDDCOGALFNSF-MRXNPFEDSA-N 0 0 338.342 2.581 40 0 EFABRN Cc1[nH]c2ccccc2c1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000022995412 472024978 /nfs/dbraw/zinc/02/49/78/472024978.db2.gz KYKAKCTZUKLLJF-UHFFFAOYSA-N 0 0 336.395 2.960 40 0 EFABRN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnc2ccccn2c1=O ZINC000040050804 472027304 /nfs/dbraw/zinc/02/73/04/472027304.db2.gz 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472045082 /nfs/dbraw/zinc/04/50/82/472045082.db2.gz BDNYSKOBIREVRP-HNNXBMFYSA-N 0 0 329.400 2.780 40 0 EFABRN Cc1noc([C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1 ZINC000041123603 472045167 /nfs/dbraw/zinc/04/51/67/472045167.db2.gz HJKKDLRIJODWSU-LBPRGKRZSA-N 0 0 339.351 2.504 40 0 EFABRN CC(C)c1noc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000041123175 472045591 /nfs/dbraw/zinc/04/55/91/472045591.db2.gz PQADRNSAKXICTI-AWEZNQCLSA-N 0 0 329.400 2.978 40 0 EFABRN CC(C)c1noc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000041122569 472045616 /nfs/dbraw/zinc/04/56/16/472045616.db2.gz VSUZHWMIGIEAGA-NSHDSACASA-N 0 0 341.458 2.823 40 0 EFABRN C[C@H]1CCCN(c2ncc3c(=O)n(CCc4cccs4)cc-3[nH]2)C1 ZINC000041123841 472046038 /nfs/dbraw/zinc/04/60/38/472046038.db2.gz HVASBIGSMCTPIF-ZDUSSCGKSA-N 0 0 342.468 2.973 40 0 EFABRN CC1CCN(C(=O)Cc2ccc(-c3nn4cnnc4s3)cc2)CC1 ZINC000041126900 472046491 /nfs/dbraw/zinc/04/64/91/472046491.db2.gz VOVIWPPDDUNXSQ-UHFFFAOYSA-N 0 0 341.440 2.654 40 0 EFABRN C[C@H]1CCCCN1C(=O)Cc1ccccc1-c1nn2cnnc2s1 ZINC000041126849 472046551 /nfs/dbraw/zinc/04/65/51/472046551.db2.gz NZGDVXQQEZFKHG-LBPRGKRZSA-N 0 0 341.440 2.796 40 0 EFABRN CC1CCN(C(=O)Cc2cccc(-c3nn4cnnc4s3)c2)CC1 ZINC000041126873 472046560 /nfs/dbraw/zinc/04/65/60/472046560.db2.gz MSZNKZRWRZQUMS-UHFFFAOYSA-N 0 0 341.440 2.654 40 0 EFABRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000024258822 472051126 /nfs/dbraw/zinc/05/11/26/472051126.db2.gz WYXPBUCPJMKNNU-UHFFFAOYSA-N 0 0 331.393 2.763 40 0 EFABRN O=C(COc1ccc(F)cc1F)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000024422277 472054250 /nfs/dbraw/zinc/05/42/50/472054250.db2.gz PHLFNTUUFXNCRA-UHFFFAOYSA-N 0 0 334.322 2.791 40 0 EFABRN CC(C)NC(=O)Nc1cccc(NC(=O)c2ccc(N(C)C)nc2)c1 ZINC000024550404 472059004 /nfs/dbraw/zinc/05/90/04/472059004.db2.gz RIZXMVNECIPKFQ-UHFFFAOYSA-N 0 0 341.415 2.930 40 0 EFABRN COCc1cccc(C(=O)N(C)CC(=O)Nc2cccc(OC)c2)c1 ZINC000024590796 472060631 /nfs/dbraw/zinc/06/06/31/472060631.db2.gz NAXVCEBXXIOVOL-UHFFFAOYSA-N 0 0 342.395 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Cc1ccccc1[C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000097096475 472443843 /nfs/dbraw/zinc/44/38/43/472443843.db2.gz FJUFJUCNBRXUMF-KRWDZBQOSA-N 0 0 338.455 2.978 40 0 EFABRN COc1cccc(CNC(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)n1 ZINC000097095027 472443963 /nfs/dbraw/zinc/44/39/63/472443963.db2.gz QINGNVZASSCDGO-LBPRGKRZSA-N 0 0 345.447 2.911 40 0 EFABRN CSc1cncc(NC[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)n1 ZINC000097095862 472444058 /nfs/dbraw/zinc/44/40/58/472444058.db2.gz XNGAADZDGNHVCX-GUYCJALGSA-N 0 0 328.441 2.830 40 0 EFABRN O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccccn1 ZINC000097095007 472444129 /nfs/dbraw/zinc/44/41/29/472444129.db2.gz YBWNUKIGHOVSTD-OAHLLOKOSA-N 0 0 335.285 2.591 40 0 EFABRN COC(=O)CCN1C(=O)CS[C@H]1c1ccc(Br)cc1 ZINC000032594603 472444777 /nfs/dbraw/zinc/44/47/77/472444777.db2.gz UKBCBMGJDDJXGC-ZDUSSCGKSA-N 0 0 344.230 2.586 40 0 EFABRN Cc1cc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)nc2ccccc12 ZINC000097100998 472446194 /nfs/dbraw/zinc/44/61/94/472446194.db2.gz UAJDEXMWUQFFRT-UHFFFAOYSA-N 0 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CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000100104441 472525643 /nfs/dbraw/zinc/52/56/43/472525643.db2.gz BJKBEPAPDYTTEN-SJORKVTESA-N 0 0 337.375 2.831 40 0 EFABRN C[C@H](Cn1cnc2c1ncnc2N(C)C)C(=O)c1ccc(F)c(F)c1 ZINC000155281479 472527424 /nfs/dbraw/zinc/52/74/24/472527424.db2.gz OBAFZIHMJGVQQC-SNVBAGLBSA-N 0 0 345.353 2.690 40 0 EFABRN O=S1(=O)CC[C@@H](N(Cc2ccccc2Cl)C[C@@H]2CCCO2)C1 ZINC000070980145 472530240 /nfs/dbraw/zinc/53/02/40/472530240.db2.gz KVJLGILGRJMNRN-CABCVRRESA-N 0 0 343.876 2.508 40 0 EFABRN CCOc1cc(NC[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)ncn1 ZINC000129366061 472538309 /nfs/dbraw/zinc/53/83/09/472538309.db2.gz NXAKJHMYQNOWID-KDOFPFPSSA-N 0 0 326.400 2.507 40 0 EFABRN O=C(COc1cccnc1Cl)NCc1cnn(-c2ccccc2)c1 ZINC000077494735 472538756 /nfs/dbraw/zinc/53/87/56/472538756.db2.gz LYYBXEKHKFXEDS-UHFFFAOYSA-N 0 0 342.786 2.616 40 0 EFABRN CCN(CC)c1nc(C)cc(C(=O)NCCc2ccc(C)cc2)n1 ZINC000071195386 472544806 /nfs/dbraw/zinc/54/48/06/472544806.db2.gz AVDINCFVAQVFCI-UHFFFAOYSA-N 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2.637 40 0 EFABRN Cc1cc(NCC(=O)Nc2ccc(Cl)cn2)ccc1C(=O)N(C)C ZINC000096452717 473429140 /nfs/dbraw/zinc/42/91/40/473429140.db2.gz NWZHMEDOKLGWIY-UHFFFAOYSA-N 0 0 346.818 2.796 40 0 EFABRN CN(Cc1ccc(F)cc1)C(=O)CNc1ccc(Cl)cc1C(N)=O ZINC000096453416 473429246 /nfs/dbraw/zinc/42/92/46/473429246.db2.gz FPWQBIVFHZBEIP-UHFFFAOYSA-N 0 0 349.793 2.649 40 0 EFABRN CN(C)C(=O)Cc1ccccc1NCc1noc(-c2ccccc2)n1 ZINC000096453965 473429463 /nfs/dbraw/zinc/42/94/63/473429463.db2.gz RLYAMNAQFVZDMF-UHFFFAOYSA-N 0 0 336.395 2.979 40 0 EFABRN Cc1csc(NC(=O)NCCc2nc3ccc(F)cc3n2C)n1 ZINC000096454073 473429953 /nfs/dbraw/zinc/42/99/53/473429953.db2.gz FPWDCTWHIYTHIY-UHFFFAOYSA-N 0 0 333.392 2.842 40 0 EFABRN Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1S(N)(=O)=O ZINC000096454162 473430220 /nfs/dbraw/zinc/43/02/20/473430220.db2.gz ZFWDECKDGQIXSJ-HWKANZROSA-N 0 0 348.399 2.824 40 0 EFABRN CN(Cc1ccc([S@@](C)=O)cc1)c1ncc(Br)cn1 ZINC000096453912 473430272 /nfs/dbraw/zinc/43/02/72/473430272.db2.gz BATNVQIZAQSPAQ-IBGZPJMESA-N 0 0 340.246 2.613 40 0 EFABRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000096454773 473430846 /nfs/dbraw/zinc/43/08/46/473430846.db2.gz URGKZXZBKNXNQX-JTQLQIEISA-N 0 0 345.226 2.919 40 0 EFABRN O=C(Cn1ccnn1)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000096454926 473430854 /nfs/dbraw/zinc/43/08/54/473430854.db2.gz MGBRJFZNENCRML-KRWDZBQOSA-N 0 0 342.349 2.657 40 0 EFABRN CC(C)S(=O)(=O)CCN1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000096455480 473430893 /nfs/dbraw/zinc/43/08/93/473430893.db2.gz OEGFVGWWLLLPIV-AWEZNQCLSA-N 0 0 335.473 2.566 40 0 EFABRN Cc1noc(C)c1CNC(=O)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000096455025 473431520 /nfs/dbraw/zinc/43/15/20/473431520.db2.gz KFWQSUDDFUZEPL-GOSISDBHSA-N 0 0 343.427 2.873 40 0 EFABRN CCC1(CNC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 ZINC000096459705 473431989 /nfs/dbraw/zinc/43/19/89/473431989.db2.gz OAAIDORRSGSNOP-UHFFFAOYSA-N 0 0 331.384 2.744 40 0 EFABRN CCCC(=O)N[C@H]1CCCN(c2ccc(Br)cn2)C1 ZINC000096458976 473432045 /nfs/dbraw/zinc/43/20/45/473432045.db2.gz 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/nfs/dbraw/zinc/43/33/23/473433323.db2.gz BVGMVYLVQFCRTN-UHFFFAOYSA-N 0 0 349.188 2.900 40 0 EFABRN CCO[C@H]1C[C@H](NC(=O)c2noc(-c3cccnc3)n2)C12CCCC2 ZINC000096461197 473433402 /nfs/dbraw/zinc/43/34/02/473433402.db2.gz AQXAGPSLDDTOAL-KBPBESRZSA-N 0 0 342.399 2.599 40 0 EFABRN Cc1nn2cccnc2c1C(=O)O[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000096461324 473433642 /nfs/dbraw/zinc/43/36/42/473433642.db2.gz YAEJEOGLIUYUEL-ZDUSSCGKSA-N 0 0 348.366 2.536 40 0 EFABRN C[C@@]1(NC(=O)Nc2cc(Cl)ccc2Cl)CCS(=O)(=O)C1 ZINC000096461054 473433686 /nfs/dbraw/zinc/43/36/86/473433686.db2.gz ZKOHRIDXJQRPRN-GFCCVEGCSA-N 0 0 337.228 2.692 40 0 EFABRN CCO[C@@H]1C[C@H](NC(=O)c2noc(-c3cccnc3)n2)C12CCCC2 ZINC000096461196 473433988 /nfs/dbraw/zinc/43/39/88/473433988.db2.gz AQXAGPSLDDTOAL-UONOGXRCSA-N 0 0 342.399 2.599 40 0 EFABRN C[C@@H](CSc1n[nH]c(C=Cc2ccccc2)n1)CS(C)(=O)=O ZINC000096465917 473434630 /nfs/dbraw/zinc/43/46/30/473434630.db2.gz SYLVVXURAPZEAG-BCPZQOPPSA-N 0 0 337.470 2.748 40 0 EFABRN O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1C=CCCC1 ZINC000096462981 473434690 /nfs/dbraw/zinc/43/46/90/473434690.db2.gz GCWCJZHIXPOEAQ-GOSISDBHSA-N 0 0 341.455 2.947 40 0 EFABRN Cc1ccc(C(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)s1 ZINC000096470693 473435588 /nfs/dbraw/zinc/43/55/88/473435588.db2.gz QSZRXIYQTWRLSN-DLBZAZTESA-N 0 0 342.464 2.782 40 0 EFABRN COCC[C@H](NC(=O)N1CCOC[C@@H]1C)c1ccc(Cl)cc1 ZINC000096471452 473435742 /nfs/dbraw/zinc/43/57/42/473435742.db2.gz JXCFRMCWQFKCGM-WFASDCNBSA-N 0 0 326.824 2.848 40 0 EFABRN COCCC1(C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)CCC1 ZINC000096471775 473436276 /nfs/dbraw/zinc/43/62/76/473436276.db2.gz ZTSUDAHHWOLKLB-UHFFFAOYSA-N 0 0 332.444 2.899 40 0 EFABRN Cc1cccn2cc(CCNC(=O)N3CC[C@@H](OCC(C)C)C3)nc12 ZINC000096468466 473436331 /nfs/dbraw/zinc/43/63/31/473436331.db2.gz VMUPRXAYAWMRNC-QGZVFWFLSA-N 0 0 344.459 2.642 40 0 EFABRN CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cnco2)c1 ZINC000096472016 473436769 /nfs/dbraw/zinc/43/67/69/473436769.db2.gz IMXKHQGLIVYYDW-HNNXBMFYSA-N 0 0 342.399 2.863 40 0 EFABRN CN(C)C(=O)CN(CC(F)(F)F)C(=O)c1ccc2sccc2c1 ZINC000096471849 473436781 /nfs/dbraw/zinc/43/67/81/473436781.db2.gz CAUZRRLITCZIKA-UHFFFAOYSA-N 0 0 344.358 2.994 40 0 EFABRN Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccn2)cc1N(C)C ZINC000096472533 473436893 /nfs/dbraw/zinc/43/68/93/473436893.db2.gz MIAPUYNFBYQBRR-AWEZNQCLSA-N 0 0 333.457 2.838 40 0 EFABRN CC[C@@H](NS(=O)(=O)c1ccc(C)c(N(C)C)c1)c1nccs1 ZINC000096472687 473437105 /nfs/dbraw/zinc/43/71/05/473437105.db2.gz BMVOURYOHJHJEM-CYBMUJFWSA-N 0 0 339.486 2.947 40 0 EFABRN CS(=O)(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000096472920 473437165 /nfs/dbraw/zinc/43/71/65/473437165.db2.gz MRQNOCNNADKMMW-UHFFFAOYSA-N 0 0 338.256 2.934 40 0 EFABRN C[C@@H](CNS(=O)(=O)CC[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000096472764 473437350 /nfs/dbraw/zinc/43/73/50/473437350.db2.gz BBTJSHWVGVFNNT-WCQYABFASA-N 0 0 333.400 2.557 40 0 EFABRN O=C(NCc1ccccc1OCC(F)(F)F)NC1(CO)CCCC1 ZINC000096474161 473437282 /nfs/dbraw/zinc/43/72/82/473437282.db2.gz GMJOYTSKELMHEW-UHFFFAOYSA-N 0 0 346.349 2.732 40 0 EFABRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C1=CCCC1 ZINC000096472367 473437425 /nfs/dbraw/zinc/43/74/25/473437425.db2.gz WMHRDTGVIADYIK-QGZVFWFLSA-N 0 0 328.456 2.846 40 0 EFABRN CN(Cc1cccn1C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000096473373 473437590 /nfs/dbraw/zinc/43/75/90/473437590.db2.gz JKGRDUQFKQRAAM-UHFFFAOYSA-N 0 0 349.818 2.791 40 0 EFABRN CN(CCn1cnnc1)c1ccc2cccc(Br)c2n1 ZINC000096474608 473438176 /nfs/dbraw/zinc/43/81/76/473438176.db2.gz JYRWFDLBQVNUMO-UHFFFAOYSA-N 0 0 332.205 2.725 40 0 EFABRN CCc1nc([C@@H](C)N2CCO[C@H](C(=O)OC)C2)oc1-c1ccccc1 ZINC000096474515 473438394 /nfs/dbraw/zinc/43/83/94/473438394.db2.gz CVGMPIOWPWRZGC-CJNGLKHVSA-N 0 0 344.411 2.839 40 0 EFABRN CC(C)(C(=O)NC[C@H](O)COc1ccc(F)cc1)c1cccs1 ZINC000096475329 473438574 /nfs/dbraw/zinc/43/85/74/473438574.db2.gz VVNFXDKRKFBLRD-ZDUSSCGKSA-N 0 0 337.416 2.721 40 0 EFABRN C[C@H](CS(C)(=O)=O)C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000096475124 473438593 /nfs/dbraw/zinc/43/85/93/473438593.db2.gz ULPUOEMJCNBOBH-CYBMUJFWSA-N 0 0 338.473 2.685 40 0 EFABRN COCCNc1ccccc1CNC(=O)NCc1cnc(C)s1 ZINC000096475537 473438631 /nfs/dbraw/zinc/43/86/31/473438631.db2.gz WFOZDOLIKQISIZ-UHFFFAOYSA-N 0 0 334.445 2.509 40 0 EFABRN C[C@H](CNC(=O)CSc1nccc2ccccc21)Cn1cccn1 ZINC000096476593 473439371 /nfs/dbraw/zinc/43/93/71/473439371.db2.gz BVTHQSURCVTPST-CQSZACIVSA-N 0 0 340.452 2.976 40 0 EFABRN C[C@H](Oc1ccc(OCc2ccn(C3CCCC3)n2)cc1)C(N)=O ZINC000096476028 473439456 /nfs/dbraw/zinc/43/94/56/473439456.db2.gz VMUVXGCHEIAMQR-ZDUSSCGKSA-N 0 0 329.400 2.830 40 0 EFABRN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)NC1CCC(O)CC1 ZINC000096476315 473439495 /nfs/dbraw/zinc/43/94/95/473439495.db2.gz KMOXJLVVKXWVOU-RUXDESIVSA-N 0 0 330.350 2.763 40 0 EFABRN Cc1nc(-c2ccccc2)ncc1C(=O)NC[C@@H](C)Cn1cccn1 ZINC000096476594 473439777 /nfs/dbraw/zinc/43/97/77/473439777.db2.gz GIMRQVUINOVUBY-CQSZACIVSA-N 0 0 335.411 2.715 40 0 EFABRN FC(F)c1nnc2ccc(N[C@H]3CCO[C@]4(CCSC4)C3)nn21 ZINC000096481135 473440603 /nfs/dbraw/zinc/44/06/03/473440603.db2.gz SBCSLELNHDAKBJ-LKFCYVNXSA-N 0 0 341.387 2.529 40 0 EFABRN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)NC1(CCO)CCC1 ZINC000096483910 473442002 /nfs/dbraw/zinc/44/20/02/473442002.db2.gz IXUGEAOBPYVUDX-WBVHZDCISA-N 0 0 332.444 2.759 40 0 EFABRN C[C@H](CS(=O)(=O)N[C@@H](C)c1nnc2ccccn21)c1ccccc1 ZINC000096482394 473442498 /nfs/dbraw/zinc/44/24/98/473442498.db2.gz ONYDSCXDVBTKAY-KGLIPLIRSA-N 0 0 344.440 2.513 40 0 EFABRN Cc1c(C(=O)N[C@H](C)CO[C@@H]2CCOC2)cccc1-c1ccccn1 ZINC000096484626 473443117 /nfs/dbraw/zinc/44/31/17/473443117.db2.gz IFSQPLMUXPHFPM-GDBMZVCRSA-N 0 0 340.423 2.981 40 0 EFABRN Cc1ccc(OC[C@H](O)COC2CCOCC2)c(Br)c1 ZINC000096484782 473443433 /nfs/dbraw/zinc/44/34/33/473443433.db2.gz MPXRORDYGQMXBG-GFCCVEGCSA-N 0 0 345.233 2.693 40 0 EFABRN COCc1cc(NC(=O)c2ccc(C)cc2Br)ncn1 ZINC000096484632 473443588 /nfs/dbraw/zinc/44/35/88/473443588.db2.gz MBRXTOHETCCEIH-UHFFFAOYSA-N 0 0 336.189 2.946 40 0 EFABRN CN(CC(=O)Nc1ccc(Br)cc1O)[C@H]1CCSC1 ZINC000096486451 473444727 /nfs/dbraw/zinc/44/47/27/473444727.db2.gz DVXUNRDBYVQYPC-JTQLQIEISA-N 0 0 345.262 2.531 40 0 EFABRN Cc1cc([C@@H](C)NC(=O)N(C)CCCS(C)(=O)=O)cc(C)c1F ZINC000096485361 473444904 /nfs/dbraw/zinc/44/49/04/473444904.db2.gz OSNANWXARYKPDV-CYBMUJFWSA-N 0 0 344.452 2.580 40 0 EFABRN O=C(COc1ccccc1Br)N1CCCSCC1 ZINC000096486459 473445059 /nfs/dbraw/zinc/44/50/59/473445059.db2.gz WWNWFECCWCAHRU-UHFFFAOYSA-N 0 0 330.247 2.793 40 0 EFABRN Cc1cc(C(=O)NC[C@]2(O)CCSC2)c(C)cc1Br ZINC000096489839 473445747 /nfs/dbraw/zinc/44/57/47/473445747.db2.gz QTAMAMAQIZKVAG-CQSZACIVSA-N 0 0 344.274 2.664 40 0 EFABRN CCOC(=O)N[C@H]1CCCN(Cc2cnc(-c3cccnc3)s2)C1 ZINC000096489775 473445804 /nfs/dbraw/zinc/44/58/04/473445804.db2.gz HSFNFFMEVPEHIF-AWEZNQCLSA-N 0 0 346.456 2.916 40 0 EFABRN Cc1ccc(O)c(CN2CCC[C@@H]2c2nnc3n2CCCCC3)n1 ZINC000096489549 473446334 /nfs/dbraw/zinc/44/63/34/473446334.db2.gz UDVZBRMZPWVPRZ-OAHLLOKOSA-N 0 0 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ZINC000256052015 474925943 /nfs/dbraw/zinc/92/59/43/474925943.db2.gz LNTBHFWHEAMMRA-UHFFFAOYSA-N 0 0 349.408 2.522 40 0 EFABRN Cc1cc2nc([C@H]3CCCCN3C(=O)c3ncoc3C)ccn2n1 ZINC000257205567 474925969 /nfs/dbraw/zinc/92/59/69/474925969.db2.gz AZQZISHYGBUPGK-CQSZACIVSA-N 0 0 325.372 2.702 40 0 EFABRN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccc(C)n1)C2 ZINC000257229099 474926719 /nfs/dbraw/zinc/92/67/19/474926719.db2.gz FWRNYMKMKOWGFD-ZNWBIBPKSA-N 0 0 341.455 2.784 40 0 EFABRN COCC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(OC)c2)o1 ZINC000257278614 474927207 /nfs/dbraw/zinc/92/72/07/474927207.db2.gz OCYBORXEAAFWDG-KRWDZBQOSA-N 0 0 344.411 2.974 40 0 EFABRN CCN(CC)C(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C ZINC000257272545 474927648 /nfs/dbraw/zinc/92/76/48/474927648.db2.gz NCVARNABHSYZNM-MJGOQNOKSA-N 0 0 346.471 2.790 40 0 EFABRN CNc1cccc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 ZINC000257282929 474929733 /nfs/dbraw/zinc/92/97/33/474929733.db2.gz OVXPHZJIAGVWTN-KRWDZBQOSA-N 0 0 337.427 2.584 40 0 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CO[C@H]1CCCN(C(=O)c2cnn(C)c2C)[C@H]1Cc1ccccc1 ZINC000585278519 479306916 /nfs/dbraw/zinc/30/69/16/479306916.db2.gz TXRQBFLYUKKGSO-ROUUACIJSA-N 0 0 327.428 2.591 40 0 EFABRN CO[C@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279362 479306927 /nfs/dbraw/zinc/30/69/27/479306927.db2.gz LCESBUZDXQMFAX-AEFFLSMTSA-N 0 0 328.387 2.941 40 0 EFABRN CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)c2cc(C)on2)C1 ZINC000585278637 479307092 /nfs/dbraw/zinc/30/70/92/479307092.db2.gz UTYCAZBBKITXKP-SFHVURJKSA-N 0 0 330.384 2.602 40 0 EFABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)Cc2ccncc2)C1 ZINC000585278411 479307231 /nfs/dbraw/zinc/30/72/31/479307231.db2.gz SGDZBWCAKSMSEX-HXUWFJFHSA-N 0 0 340.423 2.629 40 0 EFABRN COc1ccccc1C(=O)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278987 479307419 /nfs/dbraw/zinc/30/74/19/479307419.db2.gz JVLKHUJFKDCHGR-SJLPKXTDSA-N 0 0 325.408 2.761 40 0 EFABRN CO[C@H]1CN(C(=O)c2ccnnc2)CC[C@@H]1Cc1ccccc1C ZINC000585280052 479308682 /nfs/dbraw/zinc/30/86/82/479308682.db2.gz 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ZINC000585292844 479310880 /nfs/dbraw/zinc/31/08/80/479310880.db2.gz SSNFQHVXARYGLD-OAHLLOKOSA-N 0 0 337.427 2.891 40 0 EFABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)C4CCC4)C3)C2)n1 ZINC000575403377 479437417 /nfs/dbraw/zinc/43/74/17/479437417.db2.gz JTAURXJVVOPOIR-INIZCTEOSA-N 0 0 332.469 2.793 40 0 EFABRN CCCC(=O)N1Cc2cccn2C[C@@H](OCc2cccc(C)n2)C1 ZINC000575403961 479438478 /nfs/dbraw/zinc/43/84/78/479438478.db2.gz JMOXBMYGCLLHCD-GOSISDBHSA-N 0 0 327.428 2.919 40 0 EFABRN Cc1cccc(C(=O)N2CC3(C2)C[C@H](Oc2ccccn2)CCO3)c1 ZINC000575404598 479438805 /nfs/dbraw/zinc/43/88/05/479438805.db2.gz OMHCSPLEDDMVRY-QGZVFWFLSA-N 0 0 338.407 2.843 40 0 EFABRN CC(C)CC(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575404707 479439387 /nfs/dbraw/zinc/43/93/87/479439387.db2.gz PDINSWQDRGSWKO-BZSNNMDCSA-N 0 0 332.444 2.508 40 0 EFABRN Cc1nc(CO[C@@H]2CCOC3(CN(C(=O)CC(C)C)C3)C2)cs1 ZINC000575405947 479439671 /nfs/dbraw/zinc/43/96/71/479439671.db2.gz VRXXDHZWKJJPSK-OAHLLOKOSA-N 0 0 338.473 2.774 40 0 EFABRN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(Oc2ccncc2)CC1 ZINC000575413831 479441857 /nfs/dbraw/zinc/44/18/57/479441857.db2.gz YRXCMOGDTBTYJJ-UHFFFAOYSA-N 0 0 333.775 2.519 40 0 EFABRN CC[C@@H](C)N(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420166 479442895 /nfs/dbraw/zinc/44/28/95/479442895.db2.gz GPONXXRLPGFRFM-UKRRQHHQSA-N 0 0 340.514 2.979 40 0 EFABRN CC[C@H](C)N(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420164 479444170 /nfs/dbraw/zinc/44/41/70/479444170.db2.gz GPONXXRLPGFRFM-DZGCQCFKSA-N 0 0 340.514 2.979 40 0 EFABRN Cc1cc(O[C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)nc(C)n1 ZINC000575604621 479448839 /nfs/dbraw/zinc/44/88/39/479448839.db2.gz ASYVOZHSQJUPLW-AWEZNQCLSA-N 0 0 342.399 2.642 40 0 EFABRN O=C(Nc1ccccc1F)N1CCC[C@H](Oc2ncc(F)cn2)C1 ZINC000575606452 479450089 /nfs/dbraw/zinc/45/00/89/479450089.db2.gz VZNUPKPCBWDDRP-LBPRGKRZSA-N 0 0 334.326 2.830 40 0 EFABRN Cc1n[nH]c(C)c1C(=O)N1CCC[C@@H](Oc2ccncc2Cl)C1 ZINC000575605423 479450869 /nfs/dbraw/zinc/45/08/69/479450869.db2.gz PLRCNGLVCFEAGV-GFCCVEGCSA-N 0 0 334.807 2.759 40 0 EFABRN CSc1cccc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c1 ZINC000575607631 479451241 /nfs/dbraw/zinc/45/12/41/479451241.db2.gz JCSKNJYURODUPT-UHFFFAOYSA-N 0 0 341.436 2.860 40 0 EFABRN CC(C)[C@@H](Cn1ccnn1)NC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000575608587 479451733 /nfs/dbraw/zinc/45/17/33/479451733.db2.gz OQGOFARSUNBUSL-CQSZACIVSA-N 0 0 340.349 2.680 40 0 EFABRN O=C(c1ccccc1C(F)(F)F)N1CC[C@H](Oc2ccncn2)C1 ZINC000575608681 479451950 /nfs/dbraw/zinc/45/19/50/479451950.db2.gz ZWEFFCWILKYLEF-NSHDSACASA-N 0 0 337.301 2.789 40 0 EFABRN O=C(COc1ccccc1F)N1CCC[C@H](Oc2ccncc2)C1 ZINC000575613178 479453633 /nfs/dbraw/zinc/45/36/33/479453633.db2.gz PJZAOPUGAAHYKM-HNNXBMFYSA-N 0 0 330.359 2.670 40 0 EFABRN Cc1ccc2c(C(=O)N3CCC([N@H+](C)CC(=O)[O-])CC3)csc2c1 ZINC000575922703 479502924 /nfs/dbraw/zinc/50/29/24/479502924.db2.gz FYRFRNDOTXHPIR-UHFFFAOYSA-N 0 0 346.452 2.831 40 0 EFABRN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)Cn1cc(C)cn1 ZINC000625024111 479741316 /nfs/dbraw/zinc/74/13/16/479741316.db2.gz NPSHWNWFPDIXKA-QGZVFWFLSA-N 0 0 337.427 2.925 40 0 EFABRN Cn1ncc(C(F)(F)F)c1CNC(=O)Nc1cc2c(cn1)CCC2 ZINC000626574139 480415743 /nfs/dbraw/zinc/41/57/43/480415743.db2.gz ORRJCQXVZOLZKX-UHFFFAOYSA-N 0 0 339.321 2.644 40 0 EFABRN CC1=C[C@@H](C)CN(S(=O)(=O)c2ccnn2CCc2ccccc2)C1 ZINC000621286940 480434126 /nfs/dbraw/zinc/43/41/26/480434126.db2.gz XMOUPCRVHMGQON-OAHLLOKOSA-N 0 0 345.468 2.713 40 0 EFABRN O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc2ncccn2n1 ZINC000644933799 480645831 /nfs/dbraw/zinc/64/58/31/480645831.db2.gz BUADLUISAGBUOC-HNNXBMFYSA-N 0 0 338.367 2.539 40 0 EFABRN Cc1cc(C(=O)N2CCN(C(=O)N[C@@H]3C[C@H]3C3CCC3)CC2)c(C)o1 ZINC000644976848 480662955 /nfs/dbraw/zinc/66/29/55/480662955.db2.gz ALQCBCSPKNBURZ-DLBZAZTESA-N 0 0 345.443 2.552 40 0 EFABRN O=C(CC(C1CCC1)C1CCC1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 ZINC000627681178 480829378 /nfs/dbraw/zinc/82/93/78/480829378.db2.gz UTHQMCUKYALVDR-IAGOWNOFSA-N 0 0 339.501 2.771 40 0 EFABRN CCO[C@H](CS(=O)(=O)N1CCc2cccc(Cl)c21)C1CC1 ZINC000624865102 480915758 /nfs/dbraw/zinc/91/57/58/480915758.db2.gz MDBSIWSTLPCPGX-CQSZACIVSA-N 0 0 329.849 2.847 40 0 EFABRN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000642295549 481188468 /nfs/dbraw/zinc/18/84/68/481188468.db2.gz XRYOSCXCZWKKBO-QMMMGPOBSA-N 0 0 325.777 2.633 40 0 EFABRN Cc1ccc(C(F)(F)F)c(NC(=O)N2CCNC(=O)C[C@@H]2C)c1 ZINC000667943457 481893241 /nfs/dbraw/zinc/89/32/41/481893241.db2.gz PUIUCRZVXCGEAC-JTQLQIEISA-N 0 0 329.322 2.756 40 0 EFABRN CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CC(C)(CC(F)(F)F)C1 ZINC000654557496 481934900 /nfs/dbraw/zinc/93/49/00/481934900.db2.gz GRZMOFDPEBZTFB-AWEZNQCLSA-N 0 0 340.345 2.765 40 0 EFABRN COC1([C@H](C)NC(=O)c2ccc(OC3CCOCC3)cc2)CCC1 ZINC000665662247 481987307 /nfs/dbraw/zinc/98/73/07/481987307.db2.gz ANHXVBBNGXUQEH-AWEZNQCLSA-N 0 0 333.428 2.932 40 0 EFABRN Cc1cccc2c1OCC[C@H]2NC(=O)NCc1c(C2CC2)cnn1C ZINC000661066008 482306609 /nfs/dbraw/zinc/30/66/09/482306609.db2.gz PNBBUDTZSQPQOD-MRXNPFEDSA-N 0 0 340.427 2.929 40 0 EFABRN Cc1cc(-c2cc3nc(C)c(C)c(N4CC[C@H](O)[C@H](C)C4)n3n2)no1 ZINC000072396859 500951802 /nfs/dbraw/zinc/95/18/02/500951802.db2.gz XPJRAAVPYXLVNE-HWPZZCPQSA-N 0 0 341.415 2.517 40 0 EFABRN C[C@H](NCC(=O)NCC1CC1)c1ccc(Br)cc1F ZINC000129628540 533820608 /nfs/dbraw/zinc/82/06/08/533820608.db2.gz DCFXWGZVGRFHQD-VIFPVBQESA-N 0 0 329.213 2.765 40 0 EFABRN Cc1ccc(CNC(=O)N2CCSC[C@@H]2c2cnn(C)c2)cc1F ZINC000190650934 534002437 /nfs/dbraw/zinc/00/24/37/534002437.db2.gz IEQUUJVACXHLQX-MRXNPFEDSA-N 0 0 348.447 2.867 40 0 EFABRN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC000187045464 534053311 /nfs/dbraw/zinc/05/33/11/534053311.db2.gz BOHAZJVZQDNGDL-BLLLJJGKSA-N 0 0 346.814 2.641 40 0 EFABRN C[C@@H](CNc1ccccc1)NC(=O)C(=O)Nc1ccccc1Cl ZINC000189614624 534094277 /nfs/dbraw/zinc/09/42/77/534094277.db2.gz NVQLEJDYLUXNPH-LBPRGKRZSA-N 0 0 331.803 2.895 40 0 EFABRN C[C@@H]1C[C@]2(O)OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000106715994 518180893 /nfs/dbraw/zinc/18/08/93/518180893.db2.gz LIGLPZJMSAQJSF-JNVXXRFNSA-N 0 0 344.363 2.636 40 0 biogenic,in-vitro EFABRN C[C@H](COc1ccc(F)cc1)NC(=O)NC[C@H](O)c1ccsc1 ZINC000096417661 518182446 /nfs/dbraw/zinc/18/24/46/518182446.db2.gz JCAJROFKDHQRTR-ABAIWWIYSA-N 0 0 338.404 2.687 40 0 EFABRN NC(=O)C[C@@H]1CCCN(C(=O)Nc2ccccc2Br)C1 ZINC000153111615 534351171 /nfs/dbraw/zinc/35/11/71/534351171.db2.gz LEYYQJBXUSOMAV-JTQLQIEISA-N 0 0 340.221 2.568 40 0 EFABRN CC(C)C(=O)Nc1ccc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc1 ZINC000028987569 519519078 /nfs/dbraw/zinc/51/90/78/519519078.db2.gz OLCOVWGWKHXFNQ-UHFFFAOYSA-N 0 0 341.293 2.670 40 0 EFABRN CC(C)(C)C(=O)N1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257251640 534441179 /nfs/dbraw/zinc/44/11/79/534441179.db2.gz JRNYSNIAXXDWMU-ZDUSSCGKSA-N 0 0 327.432 2.694 40 0 EFABRN CC(C)(C)C(=O)N1CCC[C@@H](Cc2cncc(-c3cc[nH]n3)n2)C1 ZINC000257280598 534441749 /nfs/dbraw/zinc/44/17/49/534441749.db2.gz OLNIZFJRPGGHQX-ZDUSSCGKSA-N 0 0 327.432 2.694 40 0 EFABRN CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000096413835 519766794 /nfs/dbraw/zinc/76/67/94/519766794.db2.gz YUWHHWFMHBKZEN-DLBZAZTESA-N 0 0 337.485 2.585 40 0 EFABRN CC(C)n1cc(S(=O)(=O)N2CCc3c4ccccc4[nH]c3C2)cn1 ZINC000154740632 519969684 /nfs/dbraw/zinc/96/96/84/519969684.db2.gz BORXJVBMHPYBFQ-UHFFFAOYSA-N 0 0 344.440 2.692 40 0 EFABRN Cc1nscc1C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000179689295 534516334 /nfs/dbraw/zinc/51/63/34/534516334.db2.gz JEPNFZSNSPHOSX-CQSZACIVSA-N 0 0 349.843 2.982 40 0 EFABRN Cc1nscc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000179689303 534517787 /nfs/dbraw/zinc/51/77/87/534517787.db2.gz JEPNFZSNSPHOSX-AWEZNQCLSA-N 0 0 349.843 2.982 40 0 EFABRN CC(C)(C)C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224256074 534522036 /nfs/dbraw/zinc/52/20/36/534522036.db2.gz ATFQJFDYMYXWTN-UHFFFAOYSA-N 0 0 339.443 2.788 40 0 EFABRN O=C([C@@H]1CC=CC[C@H]1c1nc(-c2ccsc2)no1)N1CCOCC1 ZINC000190130202 534581754 /nfs/dbraw/zinc/58/17/54/534581754.db2.gz HCUIZEYHGWOPME-ZIAGYGMSSA-N 0 0 345.424 2.707 40 0 EFABRN O=C(NC[C@H]1CC=CCC1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000181524659 534633239 /nfs/dbraw/zinc/63/32/39/534633239.db2.gz MMHMQCFGAGPTGJ-ZFWWWQNUSA-N 0 0 329.448 2.927 40 0 EFABRN CC[C@H](NS(=O)(=O)c1cc(C)ccc1OC)c1nccs1 ZINC000195276741 522680483 /nfs/dbraw/zinc/68/04/83/522680483.db2.gz BDMPILWTHHBWBW-NSHDSACASA-N 0 0 326.443 2.890 40 0 EFABRN CN(Cc1cccc2ncccc12)C(=O)c1cc(-c2cnn(C)c2)n[nH]1 ZINC000012143824 523324177 /nfs/dbraw/zinc/32/41/77/523324177.db2.gz IZDLHFHMVCRZLX-UHFFFAOYSA-N 0 0 346.394 2.631 40 0 EFABRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnc(-c2ncccn2)s1 ZINC000195435963 524151587 /nfs/dbraw/zinc/15/15/87/524151587.db2.gz LJMSNBHVCQOBSN-OLZOCXBDSA-N 0 0 346.456 2.925 40 0 EFABRN COc1cccc2c1CC[C@@H]2NC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000154629439 524220036 /nfs/dbraw/zinc/22/00/36/524220036.db2.gz NMSRDIDPOUZOAO-GUYCJALGSA-N 0 0 340.427 2.615 40 0 EFABRN Cn1ccc(NC(=O)Nc2ccccc2CN2CCSCC2)n1 ZINC000158821341 534772112 /nfs/dbraw/zinc/77/21/12/534772112.db2.gz CBFRZRIUBHJSBC-UHFFFAOYSA-N 0 0 331.445 2.613 40 0 EFABRN Cc1cccc(CC(=O)N2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019234678 524337692 /nfs/dbraw/zinc/33/76/92/524337692.db2.gz GVVHJTPFWHHBBY-MRXNPFEDSA-N 0 0 349.438 2.620 40 0 EFABRN CC(=O)N1CCN(Cc2ccnn2C(C)C)C[C@@H]1c1ccccc1 ZINC000257226486 534795455 /nfs/dbraw/zinc/79/54/55/534795455.db2.gz FKTUQCGJMLEFSL-LJQANCHMSA-N 0 0 326.444 2.869 40 0 EFABRN O=C1N[C@@]2(CCOC2)C(=O)N1CC1CCC(c2ccccc2)CC1 ZINC000186779179 534796875 /nfs/dbraw/zinc/79/68/75/534796875.db2.gz WPUBKBUSPWVGJM-GSQSYGFSSA-N 0 0 328.412 2.671 40 0 EFABRN O=C1Nc2ccccc2CC[C@@H]1Sc1nncn1CC(F)(F)F ZINC000187927507 534804165 /nfs/dbraw/zinc/80/41/65/534804165.db2.gz RVJXGJVLQQRKEG-NSHDSACASA-N 0 0 342.346 2.886 40 0 EFABRN Cc1ccc(NC(=O)CNC(=O)c2cc(C3CC3)on2)c(Cl)c1 ZINC000063677926 525061462 /nfs/dbraw/zinc/06/14/62/525061462.db2.gz NLXYFLJZZOEEHF-UHFFFAOYSA-N 0 0 333.775 2.882 40 0 EFABRN Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000096181121 525161468 /nfs/dbraw/zinc/16/14/68/525161468.db2.gz SVPVPCLNUDZYOZ-RHSMWYFYSA-N 0 0 328.437 2.892 40 0 EFABRN O=S(=O)(c1cnc(-c2ccccc2)nc1)N1CCCC2(CC2)C1 ZINC000187940479 534875049 /nfs/dbraw/zinc/87/50/49/534875049.db2.gz NJOWADONRVGGRW-UHFFFAOYSA-N 0 0 329.425 2.708 40 0 EFABRN C[C@@H](Nc1cccc(N2CCCCC2=O)c1)C(=O)NCC(F)(F)F ZINC000027049324 525718206 /nfs/dbraw/zinc/71/82/06/525718206.db2.gz RUUFFBISVJIIEB-LLVKDONJSA-N 0 0 343.349 2.682 40 0 EFABRN C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1cccs1 ZINC000001345079 525877755 /nfs/dbraw/zinc/87/77/55/525877755.db2.gz GEMLHSCRGAGNHC-LBPRGKRZSA-N 0 0 343.404 2.772 40 0 EFABRN C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000241316775 525893531 /nfs/dbraw/zinc/89/35/31/525893531.db2.gz LUVHJKKLDBCTGZ-KEYYUXOJSA-N 0 0 332.444 2.993 40 0 EFABRN C[C@H](OC(=O)c1cccn1C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000004564360 525894307 /nfs/dbraw/zinc/89/43/07/525894307.db2.gz SXRYKHZNEBKWNN-XJKSGUPXSA-N 0 0 326.396 2.764 40 0 EFABRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000174922868 526503515 /nfs/dbraw/zinc/50/35/15/526503515.db2.gz RRLSQCLGESQBKM-SECBINFHSA-N 0 0 329.318 2.908 40 0 EFABRN Cc1occc1C(=O)N[C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000155869476 526811472 /nfs/dbraw/zinc/81/14/72/526811472.db2.gz KMYVIUVNDVBYCA-CYBMUJFWSA-N 0 0 341.411 2.945 40 0 EFABRN O=C(COc1ccc(Cl)cc1Cl)N[C@H]1CCn2nccc2C1 ZINC000245131237 526956143 /nfs/dbraw/zinc/95/61/43/526956143.db2.gz VKDODGTYMLURIX-NSHDSACASA-N 0 0 340.210 2.700 40 0 EFABRN O=C(CSC1CCCC1)N[C@H](Cn1nccn1)c1ccccc1 ZINC000253394112 527013123 /nfs/dbraw/zinc/01/31/23/527013123.db2.gz AGDQTPJZHQMQGM-MRXNPFEDSA-N 0 0 330.457 2.811 40 0 EFABRN O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccccc1F ZINC000244970174 527067350 /nfs/dbraw/zinc/06/73/50/527067350.db2.gz HNBMEDJJJOVWIA-JOCQHMNTSA-N 0 0 333.338 2.875 40 0 EFABRN CC(C)(NC(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000191499362 527271323 /nfs/dbraw/zinc/27/13/23/527271323.db2.gz WOODDRDZHDYQFO-UHFFFAOYSA-N 0 0 332.322 2.862 40 0 EFABRN CCCCn1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 ZINC000014258569 527717274 /nfs/dbraw/zinc/71/72/74/527717274.db2.gz KPTGPFSOCIZJBC-UHFFFAOYSA-N 0 0 337.811 2.923 40 0 EFABRN CC(C)c1n[nH]cc1C(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000189491802 528000906 /nfs/dbraw/zinc/00/09/06/528000906.db2.gz MPESGMNVNHVNMT-CYBMUJFWSA-N 0 0 338.415 2.596 40 0 EFABRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1ccc(C)cc1C)CC2 ZINC000162151050 528107435 /nfs/dbraw/zinc/10/74/35/528107435.db2.gz RAJWXVMVUBVEMY-MSOLQXFVSA-N 0 0 346.471 2.765 40 0 EFABRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Nc1ccc3c(c1)CCC3)CC2 ZINC000153677256 528109005 /nfs/dbraw/zinc/10/90/05/528109005.db2.gz BXYVYKRRENQFPZ-MSOLQXFVSA-N 0 0 344.455 2.959 40 0 EFABRN CCCNc1ccccc1NC(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000190151915 528572692 /nfs/dbraw/zinc/57/26/92/528572692.db2.gz HOQBGVSFGHJRSM-ZDUSSCGKSA-N 0 0 336.457 2.662 40 0 EFABRN CC(C)n1ncc2cc(CNc3cc(C(=O)N(C)C)ccn3)cnc21 ZINC000158835946 528663703 /nfs/dbraw/zinc/66/37/03/528663703.db2.gz YYMIDDCEYOPYCW-UHFFFAOYSA-N 0 0 338.415 2.721 40 0 EFABRN CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000153922021 528729032 /nfs/dbraw/zinc/72/90/32/528729032.db2.gz CWHOEDYZWWUMRT-CVEARBPZSA-N 0 0 344.463 2.528 40 0 EFABRN CCCn1c(C(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)cc2ccccc21 ZINC000188545664 528808511 /nfs/dbraw/zinc/80/85/11/528808511.db2.gz WMYKZCKHOBEYRI-INIZCTEOSA-N 0 0 341.455 2.992 40 0 EFABRN CC(C)N(C)c1ccc(CNc2ccc(NS(C)(=O)=O)cc2)cn1 ZINC000191377744 528842898 /nfs/dbraw/zinc/84/28/98/528842898.db2.gz ASWZNCZOHGZAAA-UHFFFAOYSA-N 0 0 348.472 2.910 40 0 EFABRN CC(C)c1nnc2n1C[C@@H](NC(=O)CSc1ccccc1)CC2 ZINC000195257522 535022309 /nfs/dbraw/zinc/02/23/09/535022309.db2.gz KGVVNJXGAZWCLT-ZDUSSCGKSA-N 0 0 330.457 2.625 40 0 EFABRN CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000238825842 535046004 /nfs/dbraw/zinc/04/60/04/535046004.db2.gz 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CC(C)C(=O)N1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H](O)[C@@H]2O ZINC000257301272 535374243 /nfs/dbraw/zinc/37/42/43/535374243.db2.gz RXSKAGDQDAXXFR-YFYQMDMQSA-N 0 0 331.456 2.897 40 0 EFABRN CC(C)CC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224256156 535381580 /nfs/dbraw/zinc/38/15/80/535381580.db2.gz ILQHRCCMTUKNBJ-UHFFFAOYSA-N 0 0 339.443 2.788 40 0 EFABRN CCCc1cc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)no1 ZINC000257342932 535392798 /nfs/dbraw/zinc/39/27/98/535392798.db2.gz ZQRHJKWVJQLDDR-HNNXBMFYSA-N 0 0 330.388 2.589 40 0 EFABRN CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)c(OC)c1 ZINC000192668302 535394123 /nfs/dbraw/zinc/39/41/23/535394123.db2.gz XSWQPEYHCILUMN-INIZCTEOSA-N 0 0 347.484 2.665 40 0 EFABRN CCOc1ccc([C@H](COC)NC(=O)N2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000241383114 535421814 /nfs/dbraw/zinc/42/18/14/535421814.db2.gz MSPZILFBHQAVSZ-ZQIUZPCESA-N 0 0 336.432 2.592 40 0 EFABRN CCNC(=S)Nc1nc(Cl)cc(N2Cc3ccccc3C2)n1 ZINC000225884238 535451319 /nfs/dbraw/zinc/45/13/19/535451319.db2.gz HGGQYHHCYYDMOV-UHFFFAOYSA-N 0 0 333.848 2.957 40 0 EFABRN CCNC(=S)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 ZINC000225881805 535451594 /nfs/dbraw/zinc/45/15/94/535451594.db2.gz NCCLCFYUPQZTHL-UHFFFAOYSA-N 0 0 348.520 2.764 40 0 EFABRN CCNC(=S)Nc1nc(C)cc(N2CCc3ccccc3C2)n1 ZINC000225883585 535451800 /nfs/dbraw/zinc/45/18/00/535451800.db2.gz NPNUTTUMGQKSBH-UHFFFAOYSA-N 0 0 327.457 2.654 40 0 EFABRN CCOc1ccccc1CCNC(=O)NCc1cc(C)nc(C)n1 ZINC000225458217 535497748 /nfs/dbraw/zinc/49/77/48/535497748.db2.gz IDIQLJGCVIITKO-UHFFFAOYSA-N 0 0 328.416 2.534 40 0 EFABRN CCOc1ccccc1NC(=O)N1CC(Oc2cc(C)oc(=O)c2)C1 ZINC000206961081 535525435 /nfs/dbraw/zinc/52/54/35/535525435.db2.gz GRLDZDZITPDTDP-UHFFFAOYSA-N 0 0 344.367 2.642 40 0 EFABRN CCOc1ncc(NC(=O)c2c(F)cccc2Cl)c(N(C)C)n1 ZINC000206730193 535576908 /nfs/dbraw/zinc/57/69/08/535576908.db2.gz XHMMAJLCSFQQLH-UHFFFAOYSA-N 0 0 338.770 2.986 40 0 EFABRN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408583996 535602044 /nfs/dbraw/zinc/60/20/44/535602044.db2.gz LCVJHQLFCBXRGS-GFCCVEGCSA-N 0 0 327.450 2.541 40 0 EFABRN CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1cc(C)ccc1C ZINC000225934843 535642490 /nfs/dbraw/zinc/64/24/90/535642490.db2.gz KNTQSXKMKLFNDS-HNNXBMFYSA-N 0 0 340.489 2.619 40 0 EFABRN CCOC(=O)c1cccc(NC(=O)c2cc(N)ccc2N(C)C)c1 ZINC000226324114 535701628 /nfs/dbraw/zinc/70/16/28/535701628.db2.gz ZLYNQYNQKDIZDM-UHFFFAOYSA-N 0 0 327.384 2.764 40 0 EFABRN CCOC(=O)c1csc([C@H]2CCCN2[C@H](C)c2nnc(C)o2)n1 ZINC000225404927 535730789 /nfs/dbraw/zinc/73/07/89/535730789.db2.gz KMOIVWJFHYRMRJ-BXKDBHETSA-N 0 0 336.417 2.909 40 0 EFABRN CCOC(=O)c1nn(C2CCCC2)cc1I ZINC000408716124 535733406 /nfs/dbraw/zinc/73/34/06/535733406.db2.gz JDGZEOBSVCIAHL-UHFFFAOYSA-N 0 0 334.157 2.780 40 0 EFABRN CCn1ncnc1CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000241926427 535894257 /nfs/dbraw/zinc/89/42/57/535894257.db2.gz UGCYYWJPFJWVSF-KBPBESRZSA-N 0 0 340.349 2.625 40 0 EFABRN CCn1ncnc1CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000241926428 535894886 /nfs/dbraw/zinc/89/48/86/535894886.db2.gz UGCYYWJPFJWVSF-KGLIPLIRSA-N 0 0 340.349 2.625 40 0 EFABRN CCc1ccnc(CNC(=O)N2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000225790611 536004131 /nfs/dbraw/zinc/00/41/31/536004131.db2.gz ZYDWXBHQYZECSA-HNNXBMFYSA-N 0 0 346.456 2.692 40 0 EFABRN CCc1c(C)nc2n(c1=O)CN(CCCOC)CN2c1ccccc1 ZINC000036128088 536072003 /nfs/dbraw/zinc/07/20/03/536072003.db2.gz RLEAAXLCWJYPOR-UHFFFAOYSA-N 0 0 342.443 2.519 40 0 EFABRN CN(C)c1cc([C@@H]2CCCN2C(=O)COc2ccccc2)ccn1 ZINC000257267730 536144689 /nfs/dbraw/zinc/14/46/89/536144689.db2.gz MIOHBYSGBZBYCB-KRWDZBQOSA-N 0 0 325.412 2.890 40 0 EFABRN CN(c1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)c1ccno1)CC2 ZINC000257260684 536298099 /nfs/dbraw/zinc/29/80/99/536298099.db2.gz LDXDJWUAFXKXJW-INIZCTEOSA-N 0 0 341.411 2.575 40 0 EFABRN CN1C(=O)CCC[C@@H]2CN(C(=O)CCc3ccccc3F)CC[C@H]21 ZINC000257202863 536307259 /nfs/dbraw/zinc/30/72/59/536307259.db2.gz ANSPSUXVMZRKOC-NVXWUHKLSA-N 0 0 332.419 2.618 40 0 EFABRN CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2C(=O)c1cc2ccc(F)cc2[nH]1 ZINC000257228026 536307329 /nfs/dbraw/zinc/30/73/29/536307329.db2.gz FSAAAALNRMHOTD-DLBZAZTESA-N 0 0 343.402 2.923 40 0 EFABRN COC(=O)Cc1ccccc1C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000252508948 536369528 /nfs/dbraw/zinc/36/95/28/536369528.db2.gz XYPXVZSVBGZDIX-DYVFJYSZSA-N 0 0 339.391 2.697 40 0 EFABRN COC(=O)Cc1ccccc1NC(=O)c1ncccc1Br ZINC000193426519 536371570 /nfs/dbraw/zinc/37/15/70/536371570.db2.gz CLCJRPBYSWBIHJ-UHFFFAOYSA-N 0 0 349.184 2.812 40 0 EFABRN CNc1cncc([C@@H]2CCCN2C(=O)CCOc2ccccc2F)n1 ZINC000257284092 536421758 /nfs/dbraw/zinc/42/17/58/536421758.db2.gz PBEXTAKETCSJTD-HNNXBMFYSA-N 0 0 344.390 2.790 40 0 EFABRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257254762 536465619 /nfs/dbraw/zinc/46/56/19/536465619.db2.gz KEOCIRRCGLBUPF-QYZOEREBSA-N 0 0 341.407 2.788 40 0 EFABRN CN1C[C@@H](NC(=O)NCCCCc2ccc(Cl)s2)CCC1=O ZINC000252483464 536486081 /nfs/dbraw/zinc/48/60/81/536486081.db2.gz 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332.425 2.522 40 0 EFABRN CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(SC)c2)c1 ZINC000019170518 212002805 /nfs/dbraw/zinc/00/28/05/212002805.db2.gz HYIJDXJCBUDEMW-UHFFFAOYSA-N 0 0 336.438 2.569 40 0 EFABRN Cn1ncc(N2CC[C@@H](Cc3ccccc3)C2)c(Br)c1=O ZINC000078335164 217041827 /nfs/dbraw/zinc/04/18/27/217041827.db2.gz CVCMFQRLUFEKEN-ZDUSSCGKSA-N 0 0 348.244 2.612 40 0 EFABRN CN(CC1CCN(CN2CCSC2=O)CC1)C(=O)OC(C)(C)C ZINC000078440735 217052167 /nfs/dbraw/zinc/05/21/67/217052167.db2.gz FNKPEXGHKDBLOP-UHFFFAOYSA-N 0 0 343.493 2.692 40 0 EFABRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCCc2scnc2C)C1 ZINC000078442197 217053795 /nfs/dbraw/zinc/05/37/95/217053795.db2.gz CZLUQJURWJVFDH-GXTWGEPZSA-N 0 0 338.473 2.822 40 0 EFABRN C[C@H](Nc1cncc(Cl)n1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000078452341 217055081 /nfs/dbraw/zinc/05/50/81/217055081.db2.gz ZUYRDUGMMXCNQS-QMMMGPOBSA-N 0 0 329.784 2.846 40 0 EFABRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2nnc(C3CC3)n2C)C1 ZINC000078394006 217046930 /nfs/dbraw/zinc/04/69/30/217046930.db2.gz 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C[C@H](COc1ccccc1)OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000078556534 217076867 /nfs/dbraw/zinc/07/68/67/217076867.db2.gz ASXWVGTXUDOOSX-ZBFHGGJFSA-N 0 0 331.412 2.646 40 0 EFABRN Cc1cc(NC(=O)[C@H](C)S(=O)(=O)[C@H](C)c2ccccc2F)on1 ZINC000078556414 217077037 /nfs/dbraw/zinc/07/70/37/217077037.db2.gz QJOFKBGGHPTDPX-MNOVXSKESA-N 0 0 340.376 2.625 40 0 EFABRN CCOc1cccc2c1OC[C@H](C(=O)N(CC)C[C@@H]1CCOC1)C2 ZINC000078609973 217084999 /nfs/dbraw/zinc/08/49/99/217084999.db2.gz AVMRSEMNFFUVFA-GOEBONIOSA-N 0 0 333.428 2.521 40 0 EFABRN CCc1nc(CCNC(=O)N[C@@H]2CCN(c3ccccc3)C2)cs1 ZINC000078605040 217085687 /nfs/dbraw/zinc/08/56/87/217085687.db2.gz YSVLMUAZVICQTP-CQSZACIVSA-N 0 0 344.484 2.826 40 0 EFABRN C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(Cl)cc1 ZINC000078696019 217104363 /nfs/dbraw/zinc/10/43/63/217104363.db2.gz GDFKVFYIYIBLSW-VIFPVBQESA-N 0 0 333.800 2.900 40 0 EFABRN Cc1c(-c2csc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)n2)cnn1C ZINC000017751462 211972132 /nfs/dbraw/zinc/97/21/32/211972132.db2.gz 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2.835 40 0 EFABRN Cc1csc(CCCNC(=O)[C@H](C)N2CCc3ccccc3C2)n1 ZINC000078928796 217150071 /nfs/dbraw/zinc/15/00/71/217150071.db2.gz QCUKRFCZPUNOIB-HNNXBMFYSA-N 0 0 343.496 2.947 40 0 EFABRN CO[C@H]1CCC[C@H]1OC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000078985636 217165399 /nfs/dbraw/zinc/16/53/99/217165399.db2.gz OASXHENGOFZAFQ-LSDHHAIUSA-N 0 0 327.421 2.602 40 0 EFABRN Cc1cc(C)n(-c2cncc(N3CC[C@H](Nc4ccccc4)C3)n2)n1 ZINC000078988119 217165954 /nfs/dbraw/zinc/16/59/54/217165954.db2.gz OOKQOJQDNXWUQV-KRWDZBQOSA-N 0 0 334.427 2.970 40 0 EFABRN CCS[C@H]1CCCCN(C(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000078987406 217166230 /nfs/dbraw/zinc/16/62/30/217166230.db2.gz OOBCSAAVQLHXCE-ZDUSSCGKSA-N 0 0 341.498 2.838 40 0 EFABRN O=C(OC1CCN(C(=O)c2ccccc2F)CC1)c1cscn1 ZINC000078989052 217167537 /nfs/dbraw/zinc/16/75/37/217167537.db2.gz COPKUVNATSELEG-UHFFFAOYSA-N 0 0 334.372 2.744 40 0 EFABRN COCC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000078996373 217168543 /nfs/dbraw/zinc/16/85/43/217168543.db2.gz 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UZQITJGRERBZQT-UHFFFAOYSA-N 0 0 349.456 2.694 40 0 EFABRN C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000078978847 217162206 /nfs/dbraw/zinc/16/22/06/217162206.db2.gz DQVCZTDMTNOLJF-LLVKDONJSA-N 0 0 329.849 2.951 40 0 EFABRN Cc1ccc(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)cc1 ZINC000078978596 217162315 /nfs/dbraw/zinc/16/23/15/217162315.db2.gz YVTWZQKIVCEWLP-UHFFFAOYSA-N 0 0 346.496 2.859 40 0 EFABRN COc1ccc(CNc2cncc(-n3nc(C)cc3C)n2)c(OC)c1 ZINC000078979710 217162777 /nfs/dbraw/zinc/16/27/77/217162777.db2.gz WHIBCSFULXUJAC-UHFFFAOYSA-N 0 0 339.399 2.908 40 0 EFABRN CO[C@H]1CCC[C@H]1OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000078985193 217163905 /nfs/dbraw/zinc/16/39/05/217163905.db2.gz OHXHNSIULPVEMH-GOEBONIOSA-N 0 0 334.368 2.531 40 0 EFABRN CCc1sc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000078986901 217164816 /nfs/dbraw/zinc/16/48/16/217164816.db2.gz RNYDXYFVHBILGM-SECBINFHSA-N 0 0 334.363 2.512 40 0 EFABRN C[C@@H](c1ccc(Br)cc1)N1CCCN(C(N)=O)CC1 ZINC000079028602 217177889 /nfs/dbraw/zinc/17/78/89/217177889.db2.gz VBZGRZVHFKLBNA-NSHDSACASA-N 0 0 326.238 2.597 40 0 EFABRN O=C(c1ccc(NCCCn2cccn2)nc1)N1CCc2ccccc21 ZINC000079029400 217178128 /nfs/dbraw/zinc/17/81/28/217178128.db2.gz UYIGQLCDCVDKTO-UHFFFAOYSA-N 0 0 347.422 2.983 40 0 EFABRN Cc1ccc(CNc2cnn(C)c(=O)c2Br)cc1F ZINC000079034940 217179069 /nfs/dbraw/zinc/17/90/69/217179069.db2.gz BLIYJAHFQRSCFB-UHFFFAOYSA-N 0 0 326.169 2.602 40 0 EFABRN COCC(=O)Nc1cccc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)c1 ZINC000079038880 217179511 /nfs/dbraw/zinc/17/95/11/217179511.db2.gz GNJFHIMXXZWUPL-XJKSGUPXSA-N 0 0 334.416 2.805 40 0 EFABRN C[C@H]1CCCCN1C(=O)CSc1nccn1Cc1ccccn1 ZINC000079038068 217179660 /nfs/dbraw/zinc/17/96/60/217179660.db2.gz KNZNYRIUWXACGO-AWEZNQCLSA-N 0 0 330.457 2.820 40 0 EFABRN COC(=O)CN(Cc1ccccc1Cl)C(=O)c1ccn(C(C)C)n1 ZINC000079039410 217180004 /nfs/dbraw/zinc/18/00/04/217180004.db2.gz RGCPMBXYMSYVQZ-UHFFFAOYSA-N 0 0 349.818 2.933 40 0 EFABRN COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(N)=O)c(F)c2)cc1 ZINC000079046922 217180414 /nfs/dbraw/zinc/18/04/14/217180414.db2.gz ZWQLHSBACOYUGZ-QGZVFWFLSA-N 0 0 342.370 2.591 40 0 EFABRN Cc1nnc(CNC(=O)c2ccccc2N(C)c2ccccc2)n1C ZINC000079049417 217182151 /nfs/dbraw/zinc/18/21/51/217182151.db2.gz YHEBEGKRJYDCSL-UHFFFAOYSA-N 0 0 335.411 2.821 40 0 EFABRN COc1ccccc1C[C@H](C)CC(=O)NCc1nncn1C(C)C ZINC000079001369 217171099 /nfs/dbraw/zinc/17/10/99/217171099.db2.gz VPLYBEDTVKTHKG-AWEZNQCLSA-N 0 0 330.432 2.753 40 0 EFABRN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1ccc(=O)[nH]n1 ZINC000079002025 217172052 /nfs/dbraw/zinc/17/20/52/217172052.db2.gz AAKHDMRZXCTTTF-AWEZNQCLSA-N 0 0 333.363 2.545 40 0 EFABRN COCc1ccc(C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)o1 ZINC000079001834 217172423 /nfs/dbraw/zinc/17/24/23/217172423.db2.gz XAQRMHTWLCAWCQ-UHFFFAOYSA-N 0 0 339.355 2.531 40 0 EFABRN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1ccc(=O)[nH]n1 ZINC000079002023 217172769 /nfs/dbraw/zinc/17/27/69/217172769.db2.gz AAKHDMRZXCTTTF-CQSZACIVSA-N 0 0 333.363 2.545 40 0 EFABRN CSc1ccc(N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)nn1 ZINC000079089404 217188761 /nfs/dbraw/zinc/18/87/61/217188761.db2.gz OZTVWOWXQXUYIT-CQSZACIVSA-N 0 0 334.489 2.673 40 0 EFABRN O=C(Cn1c(=O)sc2c1CCCCC2)NCc1ccccc1F ZINC000079090104 217189576 /nfs/dbraw/zinc/18/95/76/217189576.db2.gz KECDYNKOLVDDRV-UHFFFAOYSA-N 0 0 334.416 2.634 40 0 EFABRN O=S(=O)(Cc1ccccc1C(F)(F)F)NC[C@H]1CCCCO1 ZINC000079097719 217191268 /nfs/dbraw/zinc/19/12/68/217191268.db2.gz KCQBZYOCVXHKJR-GFCCVEGCSA-N 0 0 337.363 2.694 40 0 EFABRN Cc1ccsc1C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000079095888 217191426 /nfs/dbraw/zinc/19/14/26/217191426.db2.gz VXDRYUWBUBMZCO-UHFFFAOYSA-N 0 0 332.425 2.939 40 0 EFABRN Cc1ccc(-n2nnnc2-c2c[nH]c(=O)nc2-c2cccc(F)c2)cc1 ZINC000016311471 211895049 /nfs/dbraw/zinc/89/50/49/211895049.db2.gz QHDNTIHFUGIDFD-UHFFFAOYSA-N 0 0 348.341 2.527 40 0 EFABRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCC[C@H](C)c1ccccc1 ZINC000079098600 217192602 /nfs/dbraw/zinc/19/26/02/217192602.db2.gz JVKZWPARXCIUPV-RRFJBIMHSA-N 0 0 340.489 2.643 40 0 EFABRN CC(=O)NCCCNC(=O)NCC(C)(C)c1ccc(F)cc1Cl ZINC000079098413 217193538 /nfs/dbraw/zinc/19/35/38/217193538.db2.gz ZDUOEGIKQAXSAM-UHFFFAOYSA-N 0 0 343.830 2.582 40 0 EFABRN CCc1nnsc1C(=O)NCCc1c[nH]c2ccc(OC)cc12 ZINC000079051275 217183476 /nfs/dbraw/zinc/18/34/76/217183476.db2.gz MREUGDBLGZKOFJ-UHFFFAOYSA-N 0 0 330.413 2.563 40 0 EFABRN CCn1c(SCc2cn3cccnc3n2)nnc1-c1ccco1 ZINC000016162775 211888524 /nfs/dbraw/zinc/88/85/24/211888524.db2.gz MEVXJWPWPGTOIU-UHFFFAOYSA-N 0 0 326.385 2.893 40 0 EFABRN COc1cc(F)c([C@H](C)N[C@@H](C(N)=O)c2ccccc2)cc1OC ZINC000079311874 217207422 /nfs/dbraw/zinc/20/74/22/217207422.db2.gz ZPTRMFSATRSJMS-APPDUMDISA-N 0 0 332.375 2.720 40 0 EFABRN O=C(C(=O)N(CC(F)F)C1CC1)c1ccc(Br)cc1 ZINC000079310194 217207674 /nfs/dbraw/zinc/20/76/74/217207674.db2.gz WJZVPBOYXPXPNF-UHFFFAOYSA-N 0 0 332.144 2.888 40 0 EFABRN O=C(CCn1ccnc1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000079338317 217210977 /nfs/dbraw/zinc/21/09/77/217210977.db2.gz XSJRJAQGBKDNRU-UHFFFAOYSA-N 0 0 327.306 2.531 40 0 EFABRN CC(C)c1noc(CCC(=O)NC(C)(C)c2ccc3c(c2)OCO3)n1 ZINC000079336502 217211711 /nfs/dbraw/zinc/21/17/11/217211711.db2.gz DCVCNHUCVLYYBK-UHFFFAOYSA-N 0 0 345.399 2.906 40 0 EFABRN CC(C)(NC(=O)c1cc(C2CC2)on1)c1ccc2c(c1)OCCO2 ZINC000079338384 217211739 /nfs/dbraw/zinc/21/17/39/217211739.db2.gz UVZSDJXGGFEJJL-UHFFFAOYSA-N 0 0 328.368 2.988 40 0 EFABRN COc1cccc(NC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000079349148 217212101 /nfs/dbraw/zinc/21/21/01/217212101.db2.gz PYAXOSZSHKTXBI-UHFFFAOYSA-N 0 0 349.328 2.745 40 0 EFABRN CC(=O)Nc1ccc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2F)cc1 ZINC000079350078 217212495 /nfs/dbraw/zinc/21/24/95/217212495.db2.gz KOTFBQVHNJXZKN-GOSISDBHSA-N 0 0 348.349 2.561 40 0 EFABRN NC(=O)c1cccc(CCNC(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000079349478 217212615 /nfs/dbraw/zinc/21/26/15/217212615.db2.gz AYTNJHMRWQXHFE-FQEVSTJZSA-N 0 0 341.455 2.860 40 0 EFABRN CCc1nnsc1C(=O)Nc1ccccc1OCCn1ccnc1 ZINC000079352063 217212815 /nfs/dbraw/zinc/21/28/15/217212815.db2.gz DUNSJEIYLCRBKV-UHFFFAOYSA-N 0 0 343.412 2.628 40 0 EFABRN COC(=O)C1CCN(C(=O)Nc2cccc(-n3cccc3)c2)CC1 ZINC000079355722 217213043 /nfs/dbraw/zinc/21/30/43/217213043.db2.gz HQFKDFKQWQTKPW-UHFFFAOYSA-N 0 0 327.384 2.894 40 0 EFABRN CN(Cc1noc(-c2ccccc2)n1)[C@H](C(N)=O)c1cccc(F)c1 ZINC000079354137 217213626 /nfs/dbraw/zinc/21/36/26/217213626.db2.gz XQUJFRYVTYFFSU-INIZCTEOSA-N 0 0 340.358 2.534 40 0 EFABRN CN(Cc1noc(-c2ccccc2)n1)[C@@H](C(N)=O)c1cccc(F)c1 ZINC000079354141 217213804 /nfs/dbraw/zinc/21/38/04/217213804.db2.gz XQUJFRYVTYFFSU-MRXNPFEDSA-N 0 0 340.358 2.534 40 0 EFABRN COCc1ccccc1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000079353524 217213864 /nfs/dbraw/zinc/21/38/64/217213864.db2.gz KSTYVFXTTJSPGG-MRXNPFEDSA-N 0 0 339.439 2.747 40 0 EFABRN O=C(COCc1ccccc1)NCCc1csc(N2CCCC2)n1 ZINC000079355260 217214193 /nfs/dbraw/zinc/21/41/93/217214193.db2.gz YOKGKRLTJVPSBH-UHFFFAOYSA-N 0 0 345.468 2.619 40 0 EFABRN CNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 ZINC000079355749 217214247 /nfs/dbraw/zinc/21/42/47/217214247.db2.gz GFQATDZAIDPWPJ-CQSZACIVSA-N 0 0 342.399 2.640 40 0 EFABRN CC1(C)[C@H](OC(=O)c2ccc(Cn3cccn3)cc2)[C@@H]2CCO[C@@H]21 ZINC000110609558 220047647 /nfs/dbraw/zinc/04/76/47/220047647.db2.gz CCCHHVIABJLRSQ-IXDOHACOSA-N 0 0 326.396 2.902 40 0 EFABRN CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)cn1 ZINC000079359386 217214683 /nfs/dbraw/zinc/21/46/83/217214683.db2.gz QXIKEXTXJNOBKX-GOEBONIOSA-N 0 0 346.818 2.715 40 0 EFABRN C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000016022798 211877531 /nfs/dbraw/zinc/87/75/31/211877531.db2.gz PAHFBJPDWVBGFV-CYBMUJFWSA-N 0 0 344.436 2.528 40 0 EFABRN COc1cccc(C[S@](=O)CC(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000079324359 217208819 /nfs/dbraw/zinc/20/88/19/217208819.db2.gz CQAPZPMCBMOTJJ-YEBMWUKDSA-N 0 0 349.427 2.960 40 0 EFABRN O=C([O-])C[N@@H+]1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079414025 217221493 /nfs/dbraw/zinc/22/14/93/217221493.db2.gz BWPMUOYOKOHOSV-MRXNPFEDSA-N 0 0 346.427 2.584 40 0 EFABRN CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)[O-] ZINC000079413942 217221680 /nfs/dbraw/zinc/22/16/80/217221680.db2.gz RGGFPUDJJJPAPQ-HOTGVXAUSA-N 0 0 334.416 2.631 40 0 EFABRN CCN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000079413952 217221698 /nfs/dbraw/zinc/22/16/98/217221698.db2.gz RGGFPUDJJJPAPQ-HZPDHXFCSA-N 0 0 334.416 2.631 40 0 EFABRN CCN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1[NH2+]CC(=O)[O-] ZINC000079413955 217221741 /nfs/dbraw/zinc/22/17/41/217221741.db2.gz RGGFPUDJJJPAPQ-CVEARBPZSA-N 0 0 334.416 2.631 40 0 EFABRN CN1C(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2C1=O ZINC000016016913 211876763 /nfs/dbraw/zinc/87/67/63/211876763.db2.gz RNMWDQSSDPKWSZ-UHFFFAOYSA-N 0 0 346.745 2.886 40 0 EFABRN CC(C)[N@H+](CC(=O)[O-])C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391589 217218539 /nfs/dbraw/zinc/21/85/39/217218539.db2.gz RKFAFPBDZPEULM-UHFFFAOYSA-N 0 0 334.416 2.583 40 0 EFABRN CC(C)[N@@H+](CC(=O)[O-])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391594 217219005 /nfs/dbraw/zinc/21/90/05/217219005.db2.gz NYIZIWIUKIMXIR-QGZVFWFLSA-N 0 0 348.443 2.973 40 0 EFABRN CCOc1cc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 ZINC000079438807 217224308 /nfs/dbraw/zinc/22/43/08/217224308.db2.gz QPAPGIVUDWJDBS-ZDUSSCGKSA-N 0 0 336.436 2.934 40 0 EFABRN COc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc(SC)n1 ZINC000079439618 217224479 /nfs/dbraw/zinc/22/44/79/217224479.db2.gz CVFXCTUPGDJWEI-SNVBAGLBSA-N 0 0 340.449 2.628 40 0 EFABRN O=C([O-])C[NH2+][C@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C1CC1 ZINC000079414067 217222053 /nfs/dbraw/zinc/22/20/53/217222053.db2.gz NZWJHYDZDSSJLX-IRXDYDNUSA-N 0 0 346.427 2.773 40 0 EFABRN CN(Cc1csc(CNC(=O)c2ccccc2)n1)C[C@@H]1CCOC1 ZINC000079498180 217234852 /nfs/dbraw/zinc/23/48/52/217234852.db2.gz BSSCCCZPQIRHNS-AWEZNQCLSA-N 0 0 345.468 2.541 40 0 EFABRN O=C(NCCc1csc2ccccc12)N1CCC2(CC1)OCCO2 ZINC000079574014 217242118 /nfs/dbraw/zinc/24/21/18/217242118.db2.gz WQYJZVPGXJNDDR-UHFFFAOYSA-N 0 0 346.452 2.992 40 0 EFABRN Cc1ocnc1C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000110914722 220078886 /nfs/dbraw/zinc/07/88/86/220078886.db2.gz VQYCJSPJTDHVMQ-ZDUSSCGKSA-N 0 0 333.775 2.514 40 0 EFABRN CCOC(=O)c1ccc(CNC(=O)c2ccc(Br)o2)o1 ZINC000079589583 217242765 /nfs/dbraw/zinc/24/27/65/217242765.db2.gz BZDNBXJBOQPSCW-UHFFFAOYSA-N 0 0 342.145 2.742 40 0 EFABRN C[C@@H](NC(=O)c1csnn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079606653 217243094 /nfs/dbraw/zinc/24/30/94/217243094.db2.gz BNRFXUXDDJTSCL-SSDOTTSWSA-N 0 0 335.776 2.733 40 0 EFABRN C[C@H](Cn1cncn1)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000079603573 217243494 /nfs/dbraw/zinc/24/34/94/217243494.db2.gz HIDIDLRCBBAGSC-LLVKDONJSA-N 0 0 339.374 2.661 40 0 EFABRN COCCn1nc(C)c(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1C ZINC000079660898 217246404 /nfs/dbraw/zinc/24/64/04/217246404.db2.gz VWWIIKHZXMBQQS-FXAWDEMLSA-N 0 0 339.439 2.989 40 0 EFABRN Cc1ncsc1-c1nc2ccccc2n1CC(=O)Nc1cc[nH]n1 ZINC000079790636 217253692 /nfs/dbraw/zinc/25/36/92/217253692.db2.gz XMSDJNRYJVTSMK-UHFFFAOYSA-N 0 0 338.396 2.830 40 0 EFABRN Cc1nc(C2CCN(C(=O)[C@@H]3Cc4cc(C)c(C)cc4O3)CC2)no1 ZINC000079959609 217267733 /nfs/dbraw/zinc/26/77/33/217267733.db2.gz AGUJMUFFAGKRRX-KRWDZBQOSA-N 0 0 341.411 2.705 40 0 EFABRN C[S@](=O)c1ccc(NC(=O)NCCOc2ccccc2)cc1F ZINC000080128906 217282210 /nfs/dbraw/zinc/28/22/10/217282210.db2.gz OYLGQVRZZMPANY-HSZRJFAPSA-N 0 0 336.388 2.764 40 0 EFABRN O=C(Cn1nc(-c2cccs2)oc1=O)NC1CCCCCCC1 ZINC000015398963 211821056 /nfs/dbraw/zinc/82/10/56/211821056.db2.gz ZIYRVMQZRLSMHF-UHFFFAOYSA-N 0 0 335.429 2.794 40 0 EFABRN CSC[C@@](C)(O)CNC(=O)c1cc(Br)cn1C(C)C ZINC000080404556 217302697 /nfs/dbraw/zinc/30/26/97/217302697.db2.gz NDONARAFGYRMDB-ZDUSSCGKSA-N 0 0 349.294 2.675 40 0 EFABRN CN(C)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl ZINC000015272448 211811738 /nfs/dbraw/zinc/81/17/38/211811738.db2.gz XGFRRNMVWJZTPS-UHFFFAOYSA-N 0 0 344.864 2.607 40 0 EFABRN COc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 ZINC000015312566 211815077 /nfs/dbraw/zinc/81/50/77/211815077.db2.gz 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O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1c(-c2cccs2)nc2ncccn21 ZINC000012357016 211356045 /nfs/dbraw/zinc/35/60/45/211356045.db2.gz XNINCPZJYDVEPW-LBPRGKRZSA-N 0 0 342.424 2.897 40 0 EFABRN O=C([O-])[C@H]1CCC[N@H+](Cc2c(-c3cccs3)nc3ncccn32)C1 ZINC000012357015 211355645 /nfs/dbraw/zinc/35/56/45/211355645.db2.gz FSCRVLMRQDOLSM-LBPRGKRZSA-N 0 0 342.424 2.754 40 0 EFABRN CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3ccccc3)C2)c1C ZINC000012362174 211355443 /nfs/dbraw/zinc/35/54/43/211355443.db2.gz OPCFCVUQWIMYCC-MRXNPFEDSA-N 0 0 333.457 2.780 40 0 EFABRN O=C(Cn1c(C2CCOCC2)cc2cccnc21)NC1CCCC1 ZINC000012337755 211351491 /nfs/dbraw/zinc/35/14/91/211351491.db2.gz XLJULVACDYUESG-UHFFFAOYSA-N 0 0 327.428 2.989 40 0 EFABRN Cn1ncc2c1CCc1sc(NC(=O)Cc3cccc(F)c3)nc1-2 ZINC000012327202 211349067 /nfs/dbraw/zinc/34/90/67/211349067.db2.gz BPVLDDJNOLCMCO-UHFFFAOYSA-N 0 0 342.399 2.963 40 0 EFABRN Cn1ncc2c1CCc1sc(NC(=O)Cc3ccccc3F)nc1-2 ZINC000012327174 211348401 /nfs/dbraw/zinc/34/84/01/211348401.db2.gz ITASBJBYPZFAAL-UHFFFAOYSA-N 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343.814 2.589 40 0 EFABRN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC000035986626 296339445 /nfs/dbraw/zinc/33/94/45/296339445.db2.gz YQQRJBLXGCFZJX-VWPFQQQWSA-N 0 0 327.490 2.880 40 0 EFABRN Cc1cc(C)c2c(c1)[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)CCO2 ZINC000096403802 291835959 /nfs/dbraw/zinc/83/59/59/291835959.db2.gz ZJHAWOWLHJBEIY-OAHLLOKOSA-N 0 0 326.396 2.862 40 0 EFABRN O=C1N(c2ccc3c(c2)OCO3)[C@H](c2ccc3c(c2)OCO3)C1(F)F ZINC000005524051 296353563 /nfs/dbraw/zinc/35/35/63/296353563.db2.gz KEZQPWKRHXMHCY-OAHLLOKOSA-N 0 0 347.273 2.867 40 0 EFABRN CSC[C@H](CCO)NC(=O)Nc1cccc(Br)c1 ZINC000096420083 218783758 /nfs/dbraw/zinc/78/37/58/218783758.db2.gz MBJUANPSNJAQBG-NSHDSACASA-N 0 0 333.251 2.685 40 0 EFABRN CCn1nc(C)cc1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000096420025 218784128 /nfs/dbraw/zinc/78/41/28/218784128.db2.gz VVSAMKWDZRKWAK-ZDUSSCGKSA-N 0 0 342.226 2.982 40 0 EFABRN C[S@@](=O)c1cccc(NC(=O)NC[C@](C)(O)c2ccsc2)c1 ZINC000096420223 218783628 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ZINC000096402751 473379189 /nfs/dbraw/zinc/37/91/89/473379189.db2.gz ISFXKAYNGZEMHA-KRWDZBQOSA-N 0 0 336.391 2.532 40 0 EFABRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccnc3N(C)C)o2)n1 ZINC000096402743 473379305 /nfs/dbraw/zinc/37/93/05/473379305.db2.gz GGXLAXASYHLMNW-UHFFFAOYSA-N 0 0 339.399 2.855 40 0 EFABRN O=C(Cn1ccc2ccn(Cc3ccccc3)c2c1=O)NCC1CCC1 ZINC000096405520 473383076 /nfs/dbraw/zinc/38/30/76/473383076.db2.gz DLRCRKIWZBTGTB-UHFFFAOYSA-N 0 0 349.434 2.768 40 0 EFABRN O=C(CCNC(=O)NC[C@@H]1C[C@H]1c1ccccc1)NC1CCCC1 ZINC000096405574 473383279 /nfs/dbraw/zinc/38/32/79/473383279.db2.gz FFBUJYCIXSTQCW-RDJZCZTQSA-N 0 0 329.444 2.538 40 0 EFABRN O=C(NCCOC[C@@H]1CCCO1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000096406807 473383881 /nfs/dbraw/zinc/38/38/81/473383881.db2.gz QYESZBVNTIFHHK-AVGNSLFASA-N 0 0 338.370 2.602 40 0 EFABRN O=C1[C@@H](SCc2nnnn2C2CC2)CCCN1c1cccc(F)c1 ZINC000096406737 473384038 /nfs/dbraw/zinc/38/40/38/473384038.db2.gz KHUKHKAEUUWOFI-AWEZNQCLSA-N 0 0 347.419 2.576 40 0 EFABRN C[C@H](CN1CCCC1=O)NC(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000096407032 473384062 /nfs/dbraw/zinc/38/40/62/473384062.db2.gz LWENVOMBCAHHQA-CQSZACIVSA-N 0 0 347.434 2.758 40 0 EFABRN Cc1csc(NC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)n1 ZINC000096406767 473384426 /nfs/dbraw/zinc/38/44/26/473384426.db2.gz WEBVUYJVBFCVRO-CYBMUJFWSA-N 0 0 330.413 2.721 40 0 EFABRN CSc1nnc(CN(C)[C@@H]2CCCN(c3ccccc3)C2=O)s1 ZINC000096406638 473384435 /nfs/dbraw/zinc/38/44/35/473384435.db2.gz FBHIAZLLUGZKNF-CYBMUJFWSA-N 0 0 348.497 2.887 40 0 EFABRN O=C(NCCOC[C@@H]1CCCO1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000096406805 473384505 /nfs/dbraw/zinc/38/45/05/473384505.db2.gz QYESZBVNTIFHHK-XQQFMLRXSA-N 0 0 338.370 2.602 40 0 EFABRN Cc1ccc([C@@H]2CSCCN2C(=O)CCNC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000096407396 473384579 /nfs/dbraw/zinc/38/45/79/473384579.db2.gz WPZQNADCPDRKTF-XIRDDKMYSA-N 0 0 346.496 2.774 40 0 EFABRN Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407358 473384717 /nfs/dbraw/zinc/38/47/17/473384717.db2.gz JBLIUJUSGHNTTH-MRXNPFEDSA-N 0 0 344.434 2.504 40 0 EFABRN Cc1c(CNC(=O)NCc2sccc2Br)cnn1C ZINC000179142305 473637245 /nfs/dbraw/zinc/63/72/45/473637245.db2.gz MUCMCKVBGUVIPC-UHFFFAOYSA-N 0 0 343.250 2.552 40 0 EFABRN COc1ccnc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000096407447 473385612 /nfs/dbraw/zinc/38/56/12/473385612.db2.gz FBJUPWQZMJCTEV-VMPITWQZSA-N 0 0 337.423 2.561 40 0 EFABRN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCC[C@H](O)C2)c1 ZINC000096407963 473385676 /nfs/dbraw/zinc/38/56/76/473385676.db2.gz DICLVQDXZUWSBG-WNSKOXEYSA-N 0 0 338.473 2.722 40 0 EFABRN CN(Cc1nccn1C)C(=O)/C=C/c1csc(Br)c1 ZINC000096407546 473385933 /nfs/dbraw/zinc/38/59/33/473385933.db2.gz AFLMYKGNVYWICC-ONEGZZNKSA-N 0 0 340.246 2.916 40 0 EFABRN Cc1nn2cccnc2c1C(=O)Nc1ccc(OCC(C)C)nc1 ZINC000096408101 473385999 /nfs/dbraw/zinc/38/59/99/473385999.db2.gz NLTRHVSJCRNMIK-UHFFFAOYSA-N 0 0 325.372 2.720 40 0 EFABRN O[C@H](Cn1cccn1)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407688 473386112 /nfs/dbraw/zinc/38/61/12/473386112.db2.gz CNCVKLULJJGXTR-JKSUJKDBSA-N 0 0 337.876 2.688 40 0 EFABRN CC(C)Oc1ccc([C@@H](O)CNC(=O)CCc2ccncc2)cc1 ZINC000096407907 473386203 /nfs/dbraw/zinc/38/62/03/473386203.db2.gz BUGVXOTUKKBARN-SFHVURJKSA-N 0 0 328.412 2.651 40 0 EFABRN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 ZINC000096408952 473386861 /nfs/dbraw/zinc/38/68/61/473386861.db2.gz SRTMKYJTBDIRMB-GUDVDZBRSA-N 0 0 340.423 2.822 40 0 EFABRN C[C@H](NC(=O)NCC[S@](C)=O)c1cc(F)c(Cl)cc1Cl ZINC000096408733 473386955 /nfs/dbraw/zinc/38/69/55/473386955.db2.gz YAYXKPRWRAQBDL-SVWIBVJCSA-N 0 0 341.235 2.871 40 0 EFABRN C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)NCC[S@@](C)=O ZINC000096408832 473387106 /nfs/dbraw/zinc/38/71/06/473387106.db2.gz XXSRXEXKRHMZQJ-LXGOIASLSA-N 0 0 337.272 2.602 40 0 EFABRN C[S@@](=O)Cc1ccc(Cl)c(NCC(=O)NCc2ccco2)c1 ZINC000096409561 473387515 /nfs/dbraw/zinc/38/75/15/473387515.db2.gz UERUWMSBEBWQJC-QFIPXVFZSA-N 0 0 340.832 2.540 40 0 EFABRN CC(C)(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000096409034 473387755 /nfs/dbraw/zinc/38/77/55/473387755.db2.gz MFRPPJHRVKWBEM-FZMZJTMJSA-N 0 0 338.835 2.846 40 0 EFABRN C[C@@H](Cn1ccnc1)NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000096410031 473387848 /nfs/dbraw/zinc/38/78/48/473387848.db2.gz CTFVFHLKKTZEIE-LBPRGKRZSA-N 0 0 344.415 2.888 40 0 EFABRN CS[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)C(C)C)CC2)C1 ZINC000096409470 473388114 /nfs/dbraw/zinc/38/81/14/473388114.db2.gz KRUDYFCINIBGAI-LSDHHAIUSA-N 0 0 326.506 2.671 40 0 EFABRN CCn1nc(C)cc1C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1 ZINC000096409257 473388289 /nfs/dbraw/zinc/38/82/89/473388289.db2.gz PXWRFIBZNLEADZ-HNNXBMFYSA-N 0 0 342.443 2.619 40 0 EFABRN CC[C@H](C(=O)OC)N(C(=O)c1cc(C)nn1CC)c1ccccc1 ZINC000096409927 473388464 /nfs/dbraw/zinc/38/84/64/473388464.db2.gz XCYIUTZNTVSTHC-OAHLLOKOSA-N 0 0 329.400 2.810 40 0 EFABRN COCCN(CC(C)C)S(=O)(=O)Cc1cccc2cccnc21 ZINC000096410366 473388743 /nfs/dbraw/zinc/38/87/43/473388743.db2.gz GCNWPQCLRBBVEO-UHFFFAOYSA-N 0 0 336.457 2.669 40 0 EFABRN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC000096412147 473391763 /nfs/dbraw/zinc/39/17/63/473391763.db2.gz UNWHJCNCENJPCT-ZBEGNZNMSA-N 0 0 334.803 2.545 40 0 EFABRN CSc1nc2ncn(Cc3cn4c(cccc4C)n3)c(=O)c2s1 ZINC000096410870 473389561 /nfs/dbraw/zinc/38/95/61/473389561.db2.gz QPRSSYLUDIUBEJ-UHFFFAOYSA-N 0 0 343.437 2.579 40 0 EFABRN C[C@@H]1CCN(c2ccc(NC(=O)N(C)Cc3cnccn3)cc2)C1 ZINC000096410647 473389709 /nfs/dbraw/zinc/38/97/09/473389709.db2.gz PKZGTTYHIOXMNM-CQSZACIVSA-N 0 0 325.416 2.987 40 0 EFABRN CN(C)c1cccc([C@H]2CCCN2C(=O)CCCNC(=O)C2CC2)c1 ZINC000096410188 473389869 /nfs/dbraw/zinc/38/98/69/473389869.db2.gz AZIYNRSRLFDKPR-GOSISDBHSA-N 0 0 343.471 2.723 40 0 EFABRN CCCc1nc([C@H](NC(=O)c2cscn2)c2ccccc2)no1 ZINC000096412090 473390345 /nfs/dbraw/zinc/39/03/45/473390345.db2.gz CWWSXACKHFUSSU-CQSZACIVSA-N 0 0 328.397 2.998 40 0 EFABRN C[C@@H]1SCCN(CC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000096411378 473390703 /nfs/dbraw/zinc/39/07/03/473390703.db2.gz HPSMFKJRMXIOAS-KXBFYZLASA-N 0 0 341.480 2.876 40 0 EFABRN CCCc1nc([C@@H](NC(=O)c2cscn2)c2ccccc2)no1 ZINC000096412091 473390810 /nfs/dbraw/zinc/39/08/10/473390810.db2.gz CWWSXACKHFUSSU-AWEZNQCLSA-N 0 0 328.397 2.998 40 0 EFABRN C[C@H]1SCCN(CC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000096411377 473390869 /nfs/dbraw/zinc/39/08/69/473390869.db2.gz HPSMFKJRMXIOAS-BEFAXECRSA-N 0 0 341.480 2.876 40 0 EFABRN CN(CCO)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 ZINC000096411835 473390892 /nfs/dbraw/zinc/39/08/92/473390892.db2.gz QLEABJNFTPCSTC-UHFFFAOYSA-N 0 0 338.301 2.560 40 0 EFABRN Cc1nc(CNC(=O)c2cccc(COc3ccc(C)nc3)c2)no1 ZINC000096412433 473391479 /nfs/dbraw/zinc/39/14/79/473391479.db2.gz RREBKAXKANMGBW-UHFFFAOYSA-N 0 0 338.367 2.590 40 0 EFABRN Cc1nc(C)c(CC(=O)Nc2cc(C3CCCCCC3)[nH]n2)c(=O)[nH]1 ZINC000096412565 473391906 /nfs/dbraw/zinc/39/19/06/473391906.db2.gz UKJRRWONPGVJGC-UHFFFAOYSA-N 0 0 343.431 2.729 40 0 EFABRN Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)N(C)C)cc1 ZINC000000035942 471318504 /nfs/dbraw/zinc/31/85/04/471318504.db2.gz JYWANZHGTJMKEN-SFQUDFHCSA-N 0 0 326.371 2.993 40 0 EFABRN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000000082024 471320895 /nfs/dbraw/zinc/32/08/95/471320895.db2.gz UCODYCNSTFDTLU-WWGRRREGSA-N 0 0 334.441 2.524 40 0 EFABRN COc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(OC)c1OC ZINC000000129591 471327293 /nfs/dbraw/zinc/32/72/93/471327293.db2.gz LTTJEXXLGBJQTJ-NTEUORMPSA-N 0 0 338.363 2.630 40 0 EFABRN COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC(C)=O ZINC000000176657 471331354 /nfs/dbraw/zinc/33/13/54/471331354.db2.gz JKVIZZKWXCRIJT-GDNBJRDFSA-N 0 0 337.331 2.965 40 0 EFABRN O=C(c1cccc(I)c1)n1nnc2ccccc21 ZINC000000176663 471331738 /nfs/dbraw/zinc/33/17/38/471331738.db2.gz MNXZEQAMCGVHRV-UHFFFAOYSA-N 0 0 349.131 2.724 40 0 EFABRN Cc1ccccc1-n1nc2c(c1NC(=O)CC(C)C)C[S@](=O)C2 ZINC000000212252 471335774 /nfs/dbraw/zinc/33/57/74/471335774.db2.gz LMWNPIFGPAEUCK-HSZRJFAPSA-N 0 0 331.441 2.928 40 0 EFABRN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc(C)c2)cc1 ZINC000000208169 471335781 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342.443 2.702 40 0 EFABRN OCCCc1nc2ccccc2n1C[C@H](O)COCc1ccccc1 ZINC000047283077 472684512 /nfs/dbraw/zinc/68/45/12/472684512.db2.gz STULENHCPVOYLR-KRWDZBQOSA-N 0 0 340.423 2.539 40 0 EFABRN OCCCc1nc2ccccc2n1C[C@@H](O)COCc1ccccc1 ZINC000047283075 472684526 /nfs/dbraw/zinc/68/45/26/472684526.db2.gz STULENHCPVOYLR-QGZVFWFLSA-N 0 0 340.423 2.539 40 0 EFABRN O=C(NCc1cccc(CN2CCOCC2)c1)Nc1ccccc1 ZINC000047320463 472689176 /nfs/dbraw/zinc/68/91/76/472689176.db2.gz ARPNXGHQRKFDFB-UHFFFAOYSA-N 0 0 325.412 2.841 40 0 EFABRN CCOc1ccccc1OC1CCN(c2cc(C(N)=O)ccn2)CC1 ZINC000078393952 472710704 /nfs/dbraw/zinc/71/07/04/472710704.db2.gz SBZFBBQDHICCRQ-UHFFFAOYSA-N 0 0 341.411 2.627 40 0 EFABRN CN1CCO[C@@H](C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000091166122 472722429 /nfs/dbraw/zinc/72/24/29/472722429.db2.gz DJCWGFWVSBTFRZ-GOSISDBHSA-N 0 0 326.396 2.535 40 0 EFABRN Cc1cn(-c2ccccc2)nc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000078611809 472742242 /nfs/dbraw/zinc/74/22/42/472742242.db2.gz 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474211134 /nfs/dbraw/zinc/21/11/34/474211134.db2.gz FAPNWJKJKKMLFA-AWEZNQCLSA-N 0 0 345.353 2.826 40 0 EFABRN CC[C@H](C(=O)N1CCC[C@@H]1c1nc(N(C)C)no1)c1ccccc1 ZINC000225426279 474211928 /nfs/dbraw/zinc/21/19/28/474211928.db2.gz SDLDZTHWZUHCQP-LSDHHAIUSA-N 0 0 328.416 2.993 40 0 EFABRN CCOc1ccc(-c2noc(CN(C)C(=O)c3cccnc3)n2)cc1 ZINC000225433999 474212096 /nfs/dbraw/zinc/21/20/96/474212096.db2.gz TZUCHTLGFNRFMP-UHFFFAOYSA-N 0 0 338.367 2.803 40 0 EFABRN CCOc1ccccc1Nc1ccc(C(=O)NCCOC)cc1N ZINC000225431279 474212631 /nfs/dbraw/zinc/21/26/31/474212631.db2.gz UOJLIMOUHNNENK-UHFFFAOYSA-N 0 0 329.400 2.787 40 0 EFABRN c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3c2cccnc2)n1 ZINC000247816008 474213202 /nfs/dbraw/zinc/21/32/02/474213202.db2.gz BCYPOLOMFASPAD-JLJPHGGASA-N 0 0 331.441 2.739 40 0 EFABRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)[C@H](O)Cc1ccccc1 ZINC000188839130 474213690 /nfs/dbraw/zinc/21/36/90/474213690.db2.gz SKYNLZKSQZQTND-MLGOLLRUSA-N 0 0 341.436 2.860 40 0 EFABRN c1csc(CN2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)n1 ZINC000247830264 474213977 /nfs/dbraw/zinc/21/39/77/474213977.db2.gz HIDFHIIJBJPPQT-BQFCYCMXSA-N 0 0 345.468 2.734 40 0 EFABRN COc1ncccc1CN1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000247838414 474215086 /nfs/dbraw/zinc/21/50/86/474215086.db2.gz JZIKFELLNDNCBZ-GOSISDBHSA-N 0 0 342.443 2.660 40 0 EFABRN Cc1ccnc(C(=O)N2CC3(C2)C[C@H](Oc2ccccn2)CS3)c1 ZINC000247840610 474215787 /nfs/dbraw/zinc/21/57/87/474215787.db2.gz PSPKKCHPNFOYIZ-AWEZNQCLSA-N 0 0 341.436 2.564 40 0 EFABRN O=C(Cc1ccccc1)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 ZINC000247848203 474215811 /nfs/dbraw/zinc/21/58/11/474215811.db2.gz HTYXWEQVBIUABU-FHWLQOOXSA-N 0 0 329.440 2.804 40 0 EFABRN O=C1CCCN1CC[C@@H]1CCOC12CN(Cc1cccc(Cl)c1)C2 ZINC000247857099 474216490 /nfs/dbraw/zinc/21/64/90/474216490.db2.gz KEUMMBVCDMSQKL-MRXNPFEDSA-N 0 0 348.874 2.943 40 0 EFABRN CCc1nccn1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000225484727 474216609 /nfs/dbraw/zinc/21/66/09/474216609.db2.gz AIKRGHNEUXAOSW-GFCCVEGCSA-N 0 0 343.196 2.787 40 0 EFABRN Cc1ccncc1CO[C@H]1CCOC2(CN(Cc3cccnc3)C2)C1 ZINC000247855548 474216710 /nfs/dbraw/zinc/21/67/10/474216710.db2.gz XKTINKCMFBDDPP-IBGZPJMESA-N 0 0 339.439 2.735 40 0 EFABRN Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)cs1 ZINC000225493241 474217470 /nfs/dbraw/zinc/21/74/70/474217470.db2.gz ZMEHRFZYGLVACZ-UHFFFAOYSA-N 0 0 340.452 2.662 40 0 EFABRN O=C(CC1=CCCCC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000247863329 474217521 /nfs/dbraw/zinc/21/75/21/474217521.db2.gz NNYOXUQQNUDAFF-KRWDZBQOSA-N 0 0 342.439 2.968 40 0 EFABRN COc1ccc2c(c1)CN(Cc1ccccn1)CC[C@H]1COC(=O)N21 ZINC000225490700 474217541 /nfs/dbraw/zinc/21/75/41/474217541.db2.gz RHEUNCUOXWKLOW-INIZCTEOSA-N 0 0 339.395 2.821 40 0 biogenic,in-vitro EFABRN Cc1ccncc1CO[C@@H]1CCOC2(CN(Cc3cccnc3)C2)C1 ZINC000247855554 474217619 /nfs/dbraw/zinc/21/76/19/474217619.db2.gz XKTINKCMFBDDPP-LJQANCHMSA-N 0 0 339.439 2.735 40 0 EFABRN CN1c2ncccc2CN(Cc2ccccc2Cl)CC[C@H]1CO ZINC000225492346 474217736 /nfs/dbraw/zinc/21/77/36/474217736.db2.gz LHQBSJTYBOYSFS-INIZCTEOSA-N 0 0 331.847 2.938 40 0 biogenic,in-vitro EFABRN O=C(Cc1ccsc1)N1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000247872500 474218284 /nfs/dbraw/zinc/21/82/84/474218284.db2.gz RJNKQAQDDVXWTQ-AWEZNQCLSA-N 0 0 346.477 2.851 40 0 EFABRN Cc1cc2c(N3CCO[C@H](c4ccc(F)cc4F)C3)nccn2n1 ZINC000225487701 474218259 /nfs/dbraw/zinc/21/82/59/474218259.db2.gz HJQIBBCMOSJCMD-INIZCTEOSA-N 0 0 330.338 2.894 40 0 EFABRN CN1c2ncccc2CN(Cc2cccc(Cl)c2)CC[C@H]1CO ZINC000225492399 474218428 /nfs/dbraw/zinc/21/84/28/474218428.db2.gz CJVRJHVDFHUHTD-KRWDZBQOSA-N 0 0 331.847 2.938 40 0 biogenic,in-vitro EFABRN Cc1cccc(CO[C@@H]2Cn3nccc3CN(Cc3ccoc3)C2)n1 ZINC000247864454 474218698 /nfs/dbraw/zinc/21/86/98/474218698.db2.gz HZROUQOBVISJBY-IBGZPJMESA-N 0 0 338.411 2.781 40 0 EFABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)C4CC=CC4)C3)C2)n1 ZINC000247875471 474219329 /nfs/dbraw/zinc/21/93/29/474219329.db2.gz NUCAXKLMKKSJMQ-SFHVURJKSA-N 0 0 342.439 2.633 40 0 EFABRN CCc1nc(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cs1 ZINC000225505608 474219686 /nfs/dbraw/zinc/21/96/86/474219686.db2.gz DFVIIQZIVZTGGT-UHFFFAOYSA-N 0 0 332.433 2.506 40 0 EFABRN Cc1ccc(C(=O)N2C[C@@H]3OC[C@H](CCOc4cccnc4)[C@@H]3C2)o1 ZINC000247883147 474220413 /nfs/dbraw/zinc/22/04/13/474220413.db2.gz CMNUMKPBGBDAKX-ZVZYQTTQSA-N 0 0 342.395 2.539 40 0 EFABRN CCS(=O)(=O)c1ccccc1N1CCC(Cc2nccn2C)CC1 ZINC000225518103 474220473 /nfs/dbraw/zinc/22/04/73/474220473.db2.gz VQZOYMIRZLIRMG-UHFFFAOYSA-N 0 0 347.484 2.673 40 0 EFABRN Cc1cc(CN2CC3(C2)OCC[C@@H]3CCOCc2ccccn2)no1 ZINC000247876458 474220731 /nfs/dbraw/zinc/22/07/31/474220731.db2.gz AODHGSIXXAFYIO-INIZCTEOSA-N 0 0 343.427 2.576 40 0 EFABRN CCS(=O)(=O)c1ccc(N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000225522033 474220929 /nfs/dbraw/zinc/22/09/29/474220929.db2.gz HWLXTKYWTCICTH-QGZVFWFLSA-N 0 0 335.425 2.960 40 0 EFABRN COc1ccc(CNC(=S)Nc2cccc(C)n2)c(OC)c1OC ZINC000225527595 474221167 /nfs/dbraw/zinc/22/11/67/474221167.db2.gz BOKPUSYZSJEUID-UHFFFAOYSA-N 0 0 347.440 2.902 40 0 EFABRN CCOC(=O)c1ccc(NC(=S)NCCCn2ccnc2)c(C)c1 ZINC000225521562 474221536 /nfs/dbraw/zinc/22/15/36/474221536.db2.gz REYBNAJXSZORNA-UHFFFAOYSA-N 0 0 346.456 2.745 40 0 EFABRN CO[C@@H]1Cn2nccc2CN(C(=O)CCc2ccccc2Cl)C1 ZINC000247894635 474221940 /nfs/dbraw/zinc/22/19/40/474221940.db2.gz UMBKLEMVASKZJO-HNNXBMFYSA-N 0 0 333.819 2.527 40 0 EFABRN O=C(NCc1ccn(-c2ccccc2)n1)c1cccc(-c2nc[nH]n2)c1 ZINC000225531287 474222029 /nfs/dbraw/zinc/22/20/29/474222029.db2.gz YXXNSFUMKSXVAQ-UHFFFAOYSA-N 0 0 344.378 2.587 40 0 EFABRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000225532234 474222080 /nfs/dbraw/zinc/22/20/80/474222080.db2.gz ZUMJQZWUMJGGMC-HLLBOEOZSA-N 0 0 334.460 2.534 40 0 EFABRN c1cncc(CN2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)c1 ZINC000247885477 474222790 /nfs/dbraw/zinc/22/27/90/474222790.db2.gz RLQPCGNWSFUARG-QGZVFWFLSA-N 0 0 334.485 2.585 40 0 EFABRN CO[C@H]1Cn2nccc2CN(C(=O)CCc2ccccc2Cl)C1 ZINC000247894639 474222873 /nfs/dbraw/zinc/22/28/73/474222873.db2.gz UMBKLEMVASKZJO-OAHLLOKOSA-N 0 0 333.819 2.527 40 0 EFABRN CCN(Cc1ccc2[nH]ccc2c1)C(=O)N[C@H](C)CN1CCCC1=O ZINC000225531701 474222954 /nfs/dbraw/zinc/22/29/54/474222954.db2.gz WMPXMCFGAVOVRY-CQSZACIVSA-N 0 0 342.443 2.710 40 0 EFABRN O=c1c(Cl)c(N[C@H]2CCOC2)cnn1Cc1ccccc1Cl ZINC000225560577 474223580 /nfs/dbraw/zinc/22/35/80/474223580.db2.gz HZYANXDPHWWZOL-NSHDSACASA-N 0 0 340.210 2.799 40 0 EFABRN O=C(NCCO)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000225552535 474223895 /nfs/dbraw/zinc/22/38/95/474223895.db2.gz ZRKBKPDTLCTNPR-UHFFFAOYSA-N 0 0 327.100 2.582 40 0 EFABRN CCCC(=O)N[C@@H]1CCCN([C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000225545015 474223952 /nfs/dbraw/zinc/22/39/52/474223952.db2.gz QQCWDRMGXJFOKT-HUUCEWRRSA-N 0 0 348.495 2.620 40 0 EFABRN Cc1cccc(CN2CC3(C2)OCC[C@H]3CCOc2ccccn2)n1 ZINC000247902719 474224009 /nfs/dbraw/zinc/22/40/09/474224009.db2.gz ZOCRWIFDJGHPIP-QGZVFWFLSA-N 0 0 339.439 2.845 40 0 EFABRN CC[C@@H](C(=O)N1CCCC[C@@H]1c1cc(C(N)=O)[nH]n1)c1ccccc1 ZINC000225553974 474224154 /nfs/dbraw/zinc/22/41/54/474224154.db2.gz NKFXNILTQBDLQK-RHSMWYFYSA-N 0 0 340.427 2.756 40 0 EFABRN Cc1cccc(CCC(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)c1 ZINC000225557138 474224259 /nfs/dbraw/zinc/22/42/59/474224259.db2.gz WNQYGNPUCJZEMG-QGZVFWFLSA-N 0 0 340.427 2.503 40 0 EFABRN COc1cc(NC(=O)NC2CCOCC2)ccc1N1CCCCC1=O ZINC000225550378 474224320 /nfs/dbraw/zinc/22/43/20/474224320.db2.gz HHQKTDJKGHQTNI-UHFFFAOYSA-N 0 0 347.415 2.513 40 0 EFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)C1CCCC1 ZINC000225556579 474224353 /nfs/dbraw/zinc/22/43/53/474224353.db2.gz QJUTUJMVKSXIGG-UHFFFAOYSA-N 0 0 340.445 2.511 40 0 EFABRN Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000225569180 474225881 /nfs/dbraw/zinc/22/58/81/474225881.db2.gz YVPXTRPDLCTTJG-UHFFFAOYSA-N 0 0 346.381 2.538 40 0 EFABRN Cc1cnc(C(C)(C)NC(=O)C2CCN(CC(F)F)CC2)s1 ZINC000225561996 474226091 /nfs/dbraw/zinc/22/60/91/474226091.db2.gz FFIJVTOPZPEBEE-UHFFFAOYSA-N 0 0 331.432 2.780 40 0 EFABRN COc1cc(CNC(=S)Nc2ncccc2C)cc(OC)c1OC ZINC000225574434 474226644 /nfs/dbraw/zinc/22/66/44/474226644.db2.gz NDDJHJVNYVSGSF-UHFFFAOYSA-N 0 0 347.440 2.902 40 0 EFABRN O=C(c1cccs1)N1C[C@@H]2OC[C@H](CCOc3cccnc3)[C@@H]2C1 ZINC000247948044 474229315 /nfs/dbraw/zinc/22/93/15/474229315.db2.gz RLAUBPLECJKTTM-BPUTZDHNSA-N 0 0 344.436 2.699 40 0 EFABRN O=C(NCc1cnn2c1CCCC2)C1(c2ccccc2)CCOCC1 ZINC000225610370 474229678 /nfs/dbraw/zinc/22/96/78/474229678.db2.gz XDAUQWVBTWNZJB-UHFFFAOYSA-N 0 0 339.439 2.584 40 0 EFABRN O=C(c1ccc2c(c1)OCO2)N1CC2(C1)C[C@H](OCC1CC1)CS2 ZINC000247945929 474230109 /nfs/dbraw/zinc/23/01/09/474230109.db2.gz QWMJAWGIXQKFJG-AWEZNQCLSA-N 0 0 347.436 2.542 40 0 EFABRN O=C(c1cccs1)N1CC2(C1)OCC[C@H]2COc1ncccc1F ZINC000247956060 474231333 /nfs/dbraw/zinc/23/13/33/474231333.db2.gz VJKPHBCQJPHUJX-LBPRGKRZSA-N 0 0 348.399 2.592 40 0 EFABRN c1cc(CN2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)cs1 ZINC000247954865 474231399 /nfs/dbraw/zinc/23/13/99/474231399.db2.gz NRJDLEWNNDLOMQ-KRWDZBQOSA-N 0 0 337.485 2.925 40 0 EFABRN CC[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)CS2(=O)=O)cc1 ZINC000225636002 474231914 /nfs/dbraw/zinc/23/19/14/474231914.db2.gz JYDUUVSPOKUUMJ-KBPBESRZSA-N 0 0 338.473 2.525 40 0 EFABRN Cc1nc(CN2CC3(C2)OCC[C@@H]3COc2ccccn2)cs1 ZINC000247954582 474231797 /nfs/dbraw/zinc/23/17/97/474231797.db2.gz LKHZDLZRRHMMEI-CQSZACIVSA-N 0 0 331.441 2.516 40 0 EFABRN CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225649752 474232652 /nfs/dbraw/zinc/23/26/52/474232652.db2.gz MOEOGOCCFKTOGW-IBGZPJMESA-N 0 0 348.443 2.832 40 0 EFABRN CCOC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000225647015 474232973 /nfs/dbraw/zinc/23/29/73/474232973.db2.gz KHSIUULJZCAFBY-UHFFFAOYSA-N 0 0 348.443 2.832 40 0 EFABRN CC(=O)N1CCC(C(=O)NCc2cncc(-c3cccs3)c2)CC1 ZINC000225665889 474234180 /nfs/dbraw/zinc/23/41/80/474234180.db2.gz FBPDQICJCXTZBF-UHFFFAOYSA-N 0 0 343.452 2.685 40 0 EFABRN CO[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(Br)s1 ZINC000225681646 474235721 /nfs/dbraw/zinc/23/57/21/474235721.db2.gz HWNXATXUUNQKTJ-JGVFFNPUSA-N 0 0 342.280 2.526 40 0 EFABRN CCn1c2ccc(S(=O)(=O)NC(C)(C)CC)cc2sc1=O ZINC000225696852 474236639 /nfs/dbraw/zinc/23/66/39/474236639.db2.gz VFELMNJQTMBFJZ-UHFFFAOYSA-N 0 0 328.459 2.550 40 0 EFABRN O=C(C1c2ccccc2Oc2ccccc21)N1CC(n2ccnn2)C1 ZINC000225691460 474237001 /nfs/dbraw/zinc/23/70/01/474237001.db2.gz RFGFBVMATYBUIV-UHFFFAOYSA-N 0 0 332.363 2.599 40 0 EFABRN O=C(NCCc1cnc(C2CC2)nc1)NCCc1cccc2[nH]ccc21 ZINC000225697944 474237494 /nfs/dbraw/zinc/23/74/94/474237494.db2.gz DQWIFHNWXZJVAK-UHFFFAOYSA-N 0 0 349.438 2.920 40 0 EFABRN CS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 ZINC000225825204 474238240 /nfs/dbraw/zinc/23/82/40/474238240.db2.gz HFJOXZXXCAJPKD-UHFFFAOYSA-N 0 0 345.420 2.599 40 0 EFABRN CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]2C(=O)[O-] ZINC000225807785 474239038 /nfs/dbraw/zinc/23/90/38/474239038.db2.gz GEKCSFJGUNETEM-CYGHRXIMSA-N 0 0 348.487 2.669 40 0 EFABRN CC[NH+]1CCN(c2ccc(N)cc2NC(=O)c2ccc(C)cc2)CC1 ZINC000226258547 474240051 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/nfs/dbraw/zinc/96/73/89/476967389.db2.gz RGBRIJYQDAODEP-UHFFFAOYSA-N 0 0 337.594 2.643 40 0 EFABRN COc1ccc(C(=S)NCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000408571533 476967673 /nfs/dbraw/zinc/96/76/73/476967673.db2.gz BPEQBUQIJGXJRL-UHFFFAOYSA-N 0 0 331.393 2.898 40 0 EFABRN CC1=NN(C(=O)CCc2ccccc2O)[C@](O)(c2ccc(F)cc2)C1 ZINC000408563289 476967926 /nfs/dbraw/zinc/96/79/26/476967926.db2.gz KSLBMCXKPBWUDY-LJQANCHMSA-N 0 0 342.370 2.917 40 0 EFABRN O=C(NN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000408643170 476969866 /nfs/dbraw/zinc/96/98/66/476969866.db2.gz FRUOQVDBAJMQSM-NXEZZACHSA-N 0 0 339.178 2.589 40 0 EFABRN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408607732 476969925 /nfs/dbraw/zinc/96/99/25/476969925.db2.gz NYQUQRAZCIVSDX-UHFFFAOYSA-N 0 0 332.425 2.936 40 0 EFABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCOCC2)cc1 ZINC000408677679 476971296 /nfs/dbraw/zinc/97/12/96/476971296.db2.gz QNXVWMMOLCRQEV-UHFFFAOYSA-N 0 0 348.402 2.956 40 0 EFABRN C[C@@H](CNC(=O)C(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000408707194 476971342 /nfs/dbraw/zinc/97/13/42/476971342.db2.gz KSHDEDDINHJKTI-HNNXBMFYSA-N 0 0 349.434 2.747 40 0 EFABRN CCCCOCc1c(I)cnn1CCF ZINC000408716112 476972178 /nfs/dbraw/zinc/97/21/78/476972178.db2.gz JAHOMHZFAFWNDG-UHFFFAOYSA-N 0 0 326.153 2.774 40 0 EFABRN COCc1c(I)cnn1CCC(F)(F)F ZINC000408716297 476972443 /nfs/dbraw/zinc/97/24/43/476972443.db2.gz LCPSEUCWMMHYGY-UHFFFAOYSA-N 0 0 334.079 2.587 40 0 EFABRN CCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(N)cc2)N1 ZINC000408738513 476972694 /nfs/dbraw/zinc/97/26/94/476972694.db2.gz LFUPHPPZJSMXCP-AWEZNQCLSA-N 0 0 329.322 2.912 40 0 EFABRN CCCN1C(=O)C(=Cc2cc(Cl)c(O)c(OCC)c2)NC1=S ZINC000409080575 476976834 /nfs/dbraw/zinc/97/68/34/476976834.db2.gz LSTQIIUYGPCABT-XFFZJAGNSA-N 0 0 340.832 2.912 40 0 EFABRN CCOc1cc(Cl)c(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC ZINC000409034644 476976994 /nfs/dbraw/zinc/97/69/94/476976994.db2.gz HVHWXPCJRRBBQB-WDZFZDKYSA-N 0 0 340.832 2.777 40 0 EFABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1C ZINC000409095880 476978150 /nfs/dbraw/zinc/97/81/50/476978150.db2.gz IQHULDADHPIDBM-RIYZIHGNSA-N 0 0 349.408 2.992 40 0 EFABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)ccc2O)C1=O ZINC000409101046 476978372 /nfs/dbraw/zinc/97/83/72/476978372.db2.gz OYNWXUSZDZURNN-PKTIUJEHSA-N 0 0 341.772 2.643 40 0 EFABRN C[C@@H]1CCCC2=C1NN(C(=O)c1ccncc1)[C@@]2(O)C(F)(F)F ZINC000409177475 476979782 /nfs/dbraw/zinc/97/97/82/476979782.db2.gz BEQCVINDNYCTTG-UDZFHETQSA-N 0 0 327.306 2.581 40 0 EFABRN CC(=O)Oc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000409205852 476980166 /nfs/dbraw/zinc/98/01/66/476980166.db2.gz KTDJOWSEYGSWOC-GZTJUZNOSA-N 0 0 336.347 2.705 40 0 EFABRN Cc1cc2c(cc1/C=C1/NC(=O)N(Cc3ccccc3)C1=O)OCO2 ZINC000409236570 476981220 /nfs/dbraw/zinc/98/12/20/476981220.db2.gz SANRERAAZHETAW-OVCLIPMQSA-N 0 0 336.347 2.817 40 0 EFABRN CCOC(=O)C1CCN(C(=O)/C=C/c2c(OC)cccc2OC)CC1 ZINC000409229736 476981257 /nfs/dbraw/zinc/98/12/57/476981257.db2.gz UJCYWGMBRVIUSO-CMDGGOBGSA-N 0 0 347.411 2.519 40 0 EFABRN CCCSC(Nc1ccc(C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000409375402 476982289 /nfs/dbraw/zinc/98/22/89/476982289.db2.gz KIGHJEBJOKGPJS-UHFFFAOYSA-N 0 0 347.440 2.812 40 0 EFABRN CCCCCNC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000409412027 476983756 /nfs/dbraw/zinc/98/37/56/476983756.db2.gz QEDPPBDELAKAIG-OAHLLOKOSA-N 0 0 340.489 2.764 40 0 EFABRN O=C(CC1CCCC1)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000371248104 477198256 /nfs/dbraw/zinc/19/82/56/477198256.db2.gz UFORIUZLHKEDQV-LLVKDONJSA-N 0 0 330.354 2.599 40 0 EFABRN COC(=O)[C@H]1CCn2c(nnc2-c2cc3c(s2)CC[C@@H](C)C3)C1 ZINC000601044864 478629929 /nfs/dbraw/zinc/62/99/29/478629929.db2.gz SBAQTDZQVACOIB-MNOVXSKESA-N 0 0 331.441 2.867 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)CCC(=O)NC[C@H]12 ZINC000503884634 478846184 /nfs/dbraw/zinc/84/61/84/478846184.db2.gz VPOSADNWJKLJTP-KXBFYZLASA-N 0 0 330.428 2.844 40 0 EFABRN COc1cccc2[nH]c(C[C@H]3C[N@@H+](C(C)C)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289353 479020412 /nfs/dbraw/zinc/02/04/12/479020412.db2.gz RBFAOPRMXSWWQZ-KBPBESRZSA-N 0 0 345.443 2.935 40 0 biogenic,in-vitro EFABRN CC[C@H](O)/C=C\[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)OC ZINC000514288238 479021221 /nfs/dbraw/zinc/02/12/21/479021221.db2.gz XXSLBRVBLXGGQS-PWGUBXFWSA-N 0 0 342.476 2.885 40 0 biogenic,in-vitro EFABRN Cn1cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cn1 ZINC000569701135 479159148 /nfs/dbraw/zinc/15/91/48/479159148.db2.gz UELKMIGMGLDYDS-ZDUSSCGKSA-N 0 0 327.306 2.697 40 0 EFABRN COCCc1cc(NC(=O)N[C@H](C)C2CCC(F)(F)CC2)n(C)n1 ZINC000585090900 479278575 /nfs/dbraw/zinc/27/85/75/479278575.db2.gz YHFLXZDEGXBKOJ-LLVKDONJSA-N 0 0 344.406 2.945 40 0 EFABRN Cn1cnc2c1C[C@@H](COc1ncccc1F)N(C1CCCC1)C2 ZINC000585094755 479279972 /nfs/dbraw/zinc/27/99/72/479279972.db2.gz KWSNMGCMAFXAQS-AWEZNQCLSA-N 0 0 330.407 2.703 40 0 EFABRN Cc1nccc([C@@H]2CCCN(c3nc(C4CCOCC4)ns3)C2)n1 ZINC000585098327 479280575 /nfs/dbraw/zinc/28/05/75/479280575.db2.gz ORRAWDCADPAOHQ-CQSZACIVSA-N 0 0 345.472 2.915 40 0 EFABRN Cc1ccc(OCc2nnc3n2CCN(Cc2ccco2)[C@H]3C)cn1 ZINC000585098419 479280804 /nfs/dbraw/zinc/28/08/04/479280804.db2.gz XTTXIROMUIQYBQ-AWEZNQCLSA-N 0 0 339.399 2.730 40 0 EFABRN C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CCN1CC1CC1 ZINC000585096733 479281009 /nfs/dbraw/zinc/28/10/09/479281009.db2.gz BNMFFRNNCYSFBI-NSHDSACASA-N 0 0 333.823 2.692 40 0 EFABRN Cc1ccc(CN2CCn3c(COc4cccnc4)nnc3[C@@H]2C)o1 ZINC000585097198 479281725 /nfs/dbraw/zinc/28/17/25/479281725.db2.gz IQMVSHOFIDURBW-AWEZNQCLSA-N 0 0 339.399 2.730 40 0 EFABRN Cc1ccoc1C(=O)N1CCn2c(CCOCC3CC3)cnc2[C@@H]1C ZINC000585097742 479281897 /nfs/dbraw/zinc/28/18/97/479281897.db2.gz NSHYHBLAVQUERZ-AWEZNQCLSA-N 0 0 343.427 2.971 40 0 EFABRN Cc1ccc(N2C[C@@]3(CCN(C(=O)C4(F)CCC4)C3)CC2=O)cc1 ZINC000585101591 479282711 /nfs/dbraw/zinc/28/27/11/479282711.db2.gz WBZBXJFIIGMXGI-SFHVURJKSA-N 0 0 330.403 2.843 40 0 EFABRN O=C(C1CC(F)C1)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 ZINC000585101031 479283137 /nfs/dbraw/zinc/28/31/37/479283137.db2.gz XDQOFIQHHSMZDW-ZOJXTTQQSA-N 0 0 330.403 2.780 40 0 EFABRN O=C(Cc1ccccc1)N1CCC2(CCCN(CC3CC3)C2=O)CC1 ZINC000585102540 479284032 /nfs/dbraw/zinc/28/40/32/479284032.db2.gz MCPIPGUMAHYUFX-UHFFFAOYSA-N 0 0 340.467 2.870 40 0 EFABRN O=C(NCC[C@@H]1CCOC12CN(Cc1ccsc1)C2)c1ccco1 ZINC000585103718 479284464 /nfs/dbraw/zinc/28/44/64/479284464.db2.gz ZDSZJXBPZYOYIS-OAHLLOKOSA-N 0 0 346.452 2.752 40 0 EFABRN COc1cccc(CN2CC3(C2)C[C@H](Oc2ccccn2)CCO3)c1 ZINC000585104108 479285705 /nfs/dbraw/zinc/28/57/05/479285705.db2.gz GCMHCJUJRZUZGB-GOSISDBHSA-N 0 0 340.423 2.903 40 0 EFABRN CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CCC1)C2 ZINC000585106551 479286422 /nfs/dbraw/zinc/28/64/22/479286422.db2.gz AUXXQSFCGFXSGQ-FQEVSTJZSA-N 0 0 336.439 2.940 40 0 EFABRN O=C(c1ccccc1F)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000585104321 479286504 /nfs/dbraw/zinc/28/65/04/479286504.db2.gz HDODRSQKNXAXPH-CQSZACIVSA-N 0 0 344.411 3.000 40 0 EFABRN O=C(c1ccccc1F)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000585104317 479286547 /nfs/dbraw/zinc/28/65/47/479286547.db2.gz HDODRSQKNXAXPH-AWEZNQCLSA-N 0 0 344.411 3.000 40 0 EFABRN O=C(c1ccccc1)N1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000585107214 479286577 /nfs/dbraw/zinc/28/65/77/479286577.db2.gz BRFSLIZXENSWIR-FXAWDEMLSA-N 0 0 342.439 2.873 40 0 EFABRN Cc1noc(C)c1C(=O)N1C[C@@H]2Cc3nc(C(C)C)ncc3[C@@H]2C1 ZINC000585110020 479287626 /nfs/dbraw/zinc/28/76/26/479287626.db2.gz VVQJCKDDTGRSTG-GXTWGEPZSA-N 0 0 326.400 2.617 40 0 EFABRN COCc1cccc(-c2n[nH]c3c2CCN(C(=O)C2(C)CC2)CC3)c1 ZINC000585110416 479287692 /nfs/dbraw/zinc/28/76/92/479287692.db2.gz RXSDGAOVYOAEEM-UHFFFAOYSA-N 0 0 339.439 2.950 40 0 EFABRN Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)[C@H]1CC[C@@H](C)O1)CC2 ZINC000585110422 479287780 /nfs/dbraw/zinc/28/77/80/479287780.db2.gz SIGJNWPGXSNGGZ-RDTXWAMCSA-N 0 0 339.439 2.880 40 0 EFABRN Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)OC1CCCC1 ZINC000585109143 479288063 /nfs/dbraw/zinc/28/80/63/479288063.db2.gz XZOTZQXANGVBAK-HOTGVXAUSA-N 0 0 347.415 2.546 40 0 EFABRN O=C(NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21)C1CCC1 ZINC000585112823 479288841 /nfs/dbraw/zinc/28/88/41/479288841.db2.gz XAVCIHKYWDFIJT-MRXNPFEDSA-N 0 0 344.484 2.808 40 0 EFABRN CC(C)NC(=O)c1nc2c(o1)CCN(Cc1ccc(F)cc1F)C2 ZINC000585112511 479288866 /nfs/dbraw/zinc/28/88/66/479288866.db2.gz QLVWZWLGOWMKJT-UHFFFAOYSA-N 0 0 335.354 2.649 40 0 EFABRN O=C1CCCN1CC[C@@H]1CN(Cc2cccs2)Cc2ccnn21 ZINC000585112669 479289111 /nfs/dbraw/zinc/28/91/11/479289111.db2.gz VAEIHARAHOVSOD-OAHLLOKOSA-N 0 0 330.457 2.514 40 0 EFABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)C(C)C)C2)cc1 ZINC000585112261 479289408 /nfs/dbraw/zinc/28/94/08/479289408.db2.gz LXRBPRPGIAASEN-SFHVURJKSA-N 0 0 340.471 2.911 40 0 EFABRN Cc1ccccc1CN1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 ZINC000585111865 479289597 /nfs/dbraw/zinc/28/95/97/479289597.db2.gz DGKAEFXZVQSCLC-LJQANCHMSA-N 0 0 338.455 2.761 40 0 EFABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)C1(F)CCC1 ZINC000585112689 479289654 /nfs/dbraw/zinc/28/96/54/479289654.db2.gz SZUXOEPKXHKKPW-INIZCTEOSA-N 0 0 343.402 2.554 40 0 EFABRN Cc1cc(NC(=O)NCc2ccccc2CC(F)(F)F)nn1C ZINC000585123580 479292617 /nfs/dbraw/zinc/29/26/17/479292617.db2.gz GGZHGKJEPIQYLJ-UHFFFAOYSA-N 0 0 326.322 3.155 40 0 EFABRN CCCCN(C)c1ccc(C(=O)NC[C@H]2CC(=O)N[C@H](C)C2)cc1 ZINC000585140246 479297270 /nfs/dbraw/zinc/29/72/70/479297270.db2.gz ARLJVFFYURXTJR-HUUCEWRRSA-N 0 0 331.460 2.567 40 0 EFABRN CC[C@@H](C)Oc1cc(-c2nc(Cn3ccccc3=O)no2)ccn1 ZINC000585139821 479297616 /nfs/dbraw/zinc/29/76/16/479297616.db2.gz BWCFYAKLPGYBAB-GFCCVEGCSA-N 0 0 326.356 2.519 40 0 EFABRN Cc1cc(NC(=O)N[C@H](c2ccccc2)C2(CO)CCC2)n(C)n1 ZINC000585140632 479297688 /nfs/dbraw/zinc/29/76/88/479297688.db2.gz IBQRWTSCLLROGV-MRXNPFEDSA-N 0 0 328.416 2.754 40 0 EFABRN Cc1c2ccccc2c(=O)oc1C(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000585140459 479297878 /nfs/dbraw/zinc/29/78/78/479297878.db2.gz FIZCCBUDDJCDCB-OAHLLOKOSA-N 0 0 341.407 2.990 40 0 EFABRN COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H](c2ccccc2)N(C)C)n1C ZINC000585141089 479298535 /nfs/dbraw/zinc/29/85/35/479298535.db2.gz PGQMVGOBDUMILU-KDOFPFPSSA-N 0 0 329.444 2.593 40 0 EFABRN COc1cc(F)c(F)cc1NC(=O)NCCO[C@H]1CCCCO1 ZINC000585140896 479298608 /nfs/dbraw/zinc/29/86/08/479298608.db2.gz MGAURCZYCYYCNA-AWEZNQCLSA-N 0 0 330.331 2.638 40 0 EFABRN Cn1nccc1NC(=O)N1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000585141663 479298627 /nfs/dbraw/zinc/29/86/27/479298627.db2.gz WUFIPISGQCKDOR-ZDUSSCGKSA-N 0 0 336.436 2.928 40 0 EFABRN CNC(=O)[C@H](C)CN(C)c1ncnc2c(-c3ccccc3)nsc21 ZINC000585141402 479298792 /nfs/dbraw/zinc/29/87/92/479298792.db2.gz VJPTVGINOMIHOU-LLVKDONJSA-N 0 0 341.440 2.572 40 0 EFABRN Cc1cc(CNC(=O)Cc2ncc(Br)cc2Cl)no1 ZINC000585140918 479298957 /nfs/dbraw/zinc/29/89/57/479298957.db2.gz NBLQJWKTYVKKLD-UHFFFAOYSA-N 0 0 344.596 2.653 40 0 EFABRN CCCCc1nnc(NC(=O)Nc2cc(-c3cccnc3)[nH]n2)s1 ZINC000585141303 479299284 /nfs/dbraw/zinc/29/92/84/479299284.db2.gz SHIYVVLRTYPAJM-UHFFFAOYSA-N 0 0 343.416 3.310 40 0 EFABRN O=C(Nc1cccs1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 ZINC000585146878 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CC(C)n1ccnc1CN1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269231 479302939 /nfs/dbraw/zinc/30/29/39/479302939.db2.gz MDETVCCJHICXLG-IBGZPJMESA-N 0 0 329.444 2.870 40 0 EFABRN CC(C)n1nccc1CN1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269248 479303114 /nfs/dbraw/zinc/30/31/14/479303114.db2.gz MUQMHAOLYOPMRU-IBGZPJMESA-N 0 0 329.444 2.870 40 0 EFABRN CO[C@@H]1CCCC[C@@H](NC(=O)c2[nH]c3ccc(F)cc3c2C)[C@H]1O ZINC000585262760 479303192 /nfs/dbraw/zinc/30/31/92/479303192.db2.gz CNAWJJOGEIIDGQ-BFYDXBDKSA-N 0 0 334.391 2.664 40 0 EFABRN CO[C@H]1CCCN(C(=O)c2cn(C)nc2C)[C@H]1Cc1ccccc1 ZINC000585269490 479303676 /nfs/dbraw/zinc/30/36/76/479303676.db2.gz WSVHLBWVIBUWPC-ROUUACIJSA-N 0 0 327.428 2.591 40 0 EFABRN CNc1nc([C@H]2CCCN2C(=O)Cc2cccnc2)cn2cccc12 ZINC000585182552 479303815 /nfs/dbraw/zinc/30/38/15/479303815.db2.gz MGOQJQMDBMYSNA-MRXNPFEDSA-N 0 0 335.411 2.677 40 0 EFABRN O=C(C1CCOCC1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585269340 479303984 /nfs/dbraw/zinc/30/39/84/479303984.db2.gz 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347.440 2.786 40 0 in-vitro EFABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000030946007 202201974 /nfs/dbraw/zinc/20/19/74/202201974.db2.gz BBJISOVSXGIBGS-UHFFFAOYSA-N 0 0 334.379 2.591 40 0 EFABRN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC1(O)CCOCC1 ZINC000186661506 235973988 /nfs/dbraw/zinc/97/39/88/235973988.db2.gz WWNFBWSCKVZCSQ-CRAIPNDOSA-N 0 0 346.471 2.883 40 0 EFABRN COc1ccc(F)cc1CC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000186845332 236040278 /nfs/dbraw/zinc/04/02/78/236040278.db2.gz WWZCUIIOTXRAPY-UHFFFAOYSA-N 0 0 343.398 2.887 40 0 EFABRN CC(C)COC(=O)c1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000031924278 202213182 /nfs/dbraw/zinc/21/31/82/202213182.db2.gz GFHJJKNLORSMAF-GJZGRUSLSA-N 0 0 348.443 2.547 40 0 EFABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1CCOC ZINC000222867485 283315984 /nfs/dbraw/zinc/31/59/84/283315984.db2.gz XEIRRTDQDKYCOP-SJORKVTESA-N 0 0 344.484 2.912 40 0 EFABRN Cc1nnc(CC(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)o1 ZINC000187693174 236278820 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473309687 /nfs/dbraw/zinc/30/96/87/473309687.db2.gz UKCHRVSNQFNIRA-MFKMUULPSA-N 0 0 335.454 2.980 40 0 EFABRN COc1nc(N(C)C)sc1/C=C1/N=C(c2ccc(F)cc2)OC1=O ZINC000096133918 473311325 /nfs/dbraw/zinc/31/13/25/473311325.db2.gz NCYPZTDXQRQSOV-DHZHZOJOSA-N 0 0 347.371 2.701 40 0 EFABRN C[C@@H](C(=O)Nc1cccc(COC2CCCCC2)c1)S(C)(=O)=O ZINC000096134068 473311514 /nfs/dbraw/zinc/31/15/14/473311514.db2.gz FLEMCTFBLPRXQS-ZDUSSCGKSA-N 0 0 339.457 2.908 40 0 EFABRN COCCN(C)c1ccc2ccc(C(=O)NCc3ccc(C)o3)cn21 ZINC000096146132 473312486 /nfs/dbraw/zinc/31/24/86/473312486.db2.gz SVHXNLSCRWBHOH-UHFFFAOYSA-N 0 0 341.411 2.853 40 0 EFABRN Cc1cccc(C(=O)[C@](Cl)(Br)S(C)(=O)=O)c1 ZINC000096518172 473455939 /nfs/dbraw/zinc/45/59/39/473455939.db2.gz BEIJKTCXFMRTML-SNVBAGLBSA-N 0 0 325.611 2.510 40 0 EFABRN CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccccc1C ZINC000096518207 473455964 /nfs/dbraw/zinc/45/59/64/473455964.db2.gz UZZDPSJHDJCRMM-LLVKDONJSA-N 0 0 339.638 2.900 40 0 EFABRN C[C@H](Sc1ccccc1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000148451142 473317982 /nfs/dbraw/zinc/31/79/82/473317982.db2.gz KEVWQWBPJFVIJU-LBPRGKRZSA-N 0 0 341.436 2.996 40 0 EFABRN Cc1cccc(CN2CC[C@@]3(CCN(C(=O)C4CCC4)C3)C2=O)c1 ZINC000096159626 473320257 /nfs/dbraw/zinc/32/02/57/473320257.db2.gz GRRGBQPCNAGFPR-FQEVSTJZSA-N 0 0 326.440 2.746 40 0 EFABRN Cn1cccc1C(=O)N1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC000096157832 473318232 /nfs/dbraw/zinc/31/82/32/473318232.db2.gz BFYCHRRFKQYDDS-UHFFFAOYSA-N 0 0 343.471 2.670 40 0 EFABRN CCS(=O)(=O)[C@@](C)(Cl)[C@@H](O)c1ccc(Br)cc1 ZINC000096520375 473455905 /nfs/dbraw/zinc/45/59/05/473455905.db2.gz WGKGQRNZLIDDPU-WDEREUQCSA-N 0 0 341.654 2.872 40 0 EFABRN O=C(c1ccncc1F)N1CCO[C@]2(CCC[C@H]2COCC2CC2)C1 ZINC000096159922 473319324 /nfs/dbraw/zinc/31/93/24/473319324.db2.gz NONHEXKDVLFKOX-HNAYVOBHSA-N 0 0 348.418 2.659 40 0 EFABRN Cc1cccc(CN2CC[C@]3(CCN(C(=O)[C@@H]4C[C@@H]4C)C3)C2=O)c1 ZINC000096159620 473320458 /nfs/dbraw/zinc/32/04/58/473320458.db2.gz RKLABLCBFZYICT-XAUMDUMWSA-N 0 0 326.440 2.602 40 0 EFABRN Cc1cccc(CN2CC[C@@]3(CCN(C(=O)C4CC=CC4)C3)C2=O)c1 ZINC000096159642 473320583 /nfs/dbraw/zinc/32/05/83/473320583.db2.gz RUAIFJYNIYMJAS-NRFANRHFSA-N 0 0 338.451 2.912 40 0 EFABRN Cc1ccccc1Cc1nc(CSc2nnc(N)n2C2CC2)no1 ZINC000083091880 473321163 /nfs/dbraw/zinc/32/11/63/473321163.db2.gz MXRAYLNXAZTLNW-UHFFFAOYSA-N 0 0 342.428 2.770 40 0 EFABRN C[C@](Br)([C@@H](O)c1cccc(Cl)c1)S(C)(=O)=O ZINC000096521204 473456672 /nfs/dbraw/zinc/45/66/72/473456672.db2.gz FUQRNSSXTDYQNR-VHSXEESVSA-N 0 0 327.627 2.529 40 0 EFABRN Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000096181122 473322738 /nfs/dbraw/zinc/32/27/38/473322738.db2.gz SVPVPCLNUDZYOZ-WMLDXEAASA-N 0 0 328.437 2.892 40 0 EFABRN CC1(C)c2cc(Cl)ccc2N(CC(=O)NCc2ccco2)C1=O ZINC000096181599 473324173 /nfs/dbraw/zinc/32/41/73/473324173.db2.gz LDAHEFRKFRVEMY-UHFFFAOYSA-N 0 0 332.787 2.874 40 0 EFABRN Cc1ccc([C@H]2[C@@H](C(=O)N(C)Cc3ccco3)CC(=O)N2C)cc1 ZINC000096181244 473324679 /nfs/dbraw/zinc/32/46/79/473324679.db2.gz ISBKCAKEBAEOPC-WMZOPIPTSA-N 0 0 326.396 2.766 40 0 EFABRN Cc1ccc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000096181708 473324786 /nfs/dbraw/zinc/32/47/86/473324786.db2.gz NLXXCWMDHRWCEE-QZTJIDSGSA-N 0 0 342.370 2.671 40 0 EFABRN CC1(C)c2cc(Cl)ccc2N(CC(=O)N2CCSCC2)C1=O ZINC000096181628 473325100 /nfs/dbraw/zinc/32/51/00/473325100.db2.gz FAVJWCCJPBFNOF-UHFFFAOYSA-N 0 0 338.860 2.540 40 0 EFABRN CN(Cc1ccco1)[C@@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096185973 473326306 /nfs/dbraw/zinc/32/63/06/473326306.db2.gz IHDMLTWLRORATC-QRVBRYPASA-N 0 0 327.428 2.538 40 0 EFABRN CN(Cc1ccco1)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185971 473326371 /nfs/dbraw/zinc/32/63/71/473326371.db2.gz WCYQEMQNYXTBOU-INMHGKMJSA-N 0 0 333.457 2.600 40 0 EFABRN O=C(C1CC=CC1)N1CC[C@@H]2O[C@@H](COCC3CCOCC3)CC[C@@H]21 ZINC000096186716 473328626 /nfs/dbraw/zinc/32/86/26/473328626.db2.gz OYEJMMBIPXCGLV-QYZOEREBSA-N 0 0 349.471 2.544 40 0 EFABRN Cc1nc(COC[C@H]2CC[C@H]3[C@H](CCN3C(=O)C3CC3)O2)cs1 ZINC000096186768 473328866 /nfs/dbraw/zinc/32/88/66/473328866.db2.gz GFCTTZIEOFDGJA-PMPSAXMXSA-N 0 0 336.457 2.527 40 0 EFABRN O=C(Cc1ccccc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC000096187907 473329114 /nfs/dbraw/zinc/32/91/14/473329114.db2.gz PGVRSAVNTLOGAU-GOSISDBHSA-N 0 0 339.439 2.511 40 0 EFABRN O=C(c1cccs1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 ZINC000096189120 473331453 /nfs/dbraw/zinc/33/14/53/473331453.db2.gz WMEJAJGJXCOEKT-CQSZACIVSA-N 0 0 331.441 2.643 40 0 EFABRN COc1cc(S(=O)(=O)NCCCc2nc(C)cs2)ccc1F ZINC000190607591 473332230 /nfs/dbraw/zinc/33/22/30/473332230.db2.gz HAABEHWVHOEZKU-UHFFFAOYSA-N 0 0 344.433 2.510 40 0 EFABRN C[C@@]1(C(=O)Nc2nnc(C3CC3)s2)CC(c2ccccc2)=NO1 ZINC000096192533 473332393 /nfs/dbraw/zinc/33/23/93/473332393.db2.gz VSWSMGBDTGZNEA-INIZCTEOSA-N 0 0 328.397 2.937 40 0 EFABRN C[C@]1(C(=O)Nc2nnc(C3CC3)s2)CC(c2ccccc2)=NO1 ZINC000096192532 473333003 /nfs/dbraw/zinc/33/30/03/473333003.db2.gz VSWSMGBDTGZNEA-MRXNPFEDSA-N 0 0 328.397 2.937 40 0 EFABRN Cn1cc2c(n1)[C@@H](COCC1CC1)CN(C(=O)Cc1cccs1)C2 ZINC000096198028 473333768 /nfs/dbraw/zinc/33/37/68/473333768.db2.gz KRLMYBYEAIBUCE-OAHLLOKOSA-N 0 0 345.468 2.577 40 0 EFABRN CCOC[C@H]1CN(C(=O)CCc2ccccc2)Cc2cn(CC)nc21 ZINC000096198098 473333795 /nfs/dbraw/zinc/33/37/95/473333795.db2.gz CWCQFZKWGOXGOV-GOSISDBHSA-N 0 0 341.455 2.998 40 0 EFABRN COC[C@@H]1c2c(cnn2CC2CC2)CCN1C(=O)Cc1cccs1 ZINC000096197869 473333856 /nfs/dbraw/zinc/33/38/56/473333856.db2.gz LDOICSCGCWQJDQ-MRXNPFEDSA-N 0 0 345.468 2.670 40 0 EFABRN Cc1ccsc1C(=O)N1Cc2cnn(C)c2[C@@H](COCC2CC2)C1 ZINC000096198308 473333876 /nfs/dbraw/zinc/33/38/76/473333876.db2.gz VSMRGVFHLWKIDV-OAHLLOKOSA-N 0 0 345.468 2.956 40 0 EFABRN CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1ccoc1)CC2 ZINC000096197829 473333988 /nfs/dbraw/zinc/33/39/88/473333988.db2.gz KNTOXPKHDIVDIF-MRXNPFEDSA-N 0 0 329.400 2.662 40 0 EFABRN COc1cccc(CN2Cc3cnn(C)c3[C@H](COCC3CC3)C2)c1 ZINC000096198316 473334258 /nfs/dbraw/zinc/33/42/58/473334258.db2.gz PAKBMSJARPOSIO-SFHVURJKSA-N 0 0 341.455 2.955 40 0 EFABRN O=C1C[C@H](c2ccccc2)C2(CCN(Cc3nccs3)CC2)N1 ZINC000096199586 473335516 /nfs/dbraw/zinc/33/55/16/473335516.db2.gz SXRXVYAYAGPROT-OAHLLOKOSA-N 0 0 327.453 2.781 40 0 EFABRN CCO[C@@H]1CCN(C(=O)Cc2cccs2)[C@@H]1Cc1cccnc1 ZINC000096200501 473335558 /nfs/dbraw/zinc/33/55/58/473335558.db2.gz OILAXUGZCQVHHW-IAGOWNOFSA-N 0 0 330.453 2.934 40 0 EFABRN O=C1C[C@@H](c2ccccc2)C2(CCN(Cc3nccs3)CC2)N1 ZINC000096199585 473335632 /nfs/dbraw/zinc/33/56/32/473335632.db2.gz SXRXVYAYAGPROT-HNNXBMFYSA-N 0 0 327.453 2.781 40 0 EFABRN Cc1ccc(C(=O)N2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)cc1 ZINC000096199553 473335928 /nfs/dbraw/zinc/33/59/28/473335928.db2.gz DHWCCMGLAYSXQN-GOSISDBHSA-N 0 0 349.434 2.669 40 0 EFABRN CN(Cc1cn2c(n1)CN(Cc1ccccn1)CC2)Cc1ccco1 ZINC000096197469 473334592 /nfs/dbraw/zinc/33/45/92/473334592.db2.gz PBFOAARFGZJRQE-UHFFFAOYSA-N 0 0 337.427 2.519 40 0 EFABRN CCn1ncc2c1[C@@H](COC)N(C(=O)CCc1ccccc1C)CC2 ZINC000096197815 473334610 /nfs/dbraw/zinc/33/46/10/473334610.db2.gz IUJBLIKGJUEPGV-GOSISDBHSA-N 0 0 341.455 2.916 40 0 EFABRN Cc1csc(CN2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)n1 ZINC000096208061 473343469 /nfs/dbraw/zinc/34/34/69/473343469.db2.gz DZZKVJBWNDTBIM-DYVFJYSZSA-N 0 0 349.431 2.513 40 0 EFABRN Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)CC4=CCCCC4)CC[C@H]32)o1 ZINC000096209145 473344899 /nfs/dbraw/zinc/34/48/99/473344899.db2.gz OPEQSTNNPLBVMD-ZACQAIPSSA-N 0 0 345.443 2.675 40 0 EFABRN O=C(c1ccc[nH]1)N1CC[C@]2(C1)CCCN(Cc1nccs1)C2 ZINC000096215777 473346078 /nfs/dbraw/zinc/34/60/78/473346078.db2.gz APARZEMNPFVSRR-QGZVFWFLSA-N 0 0 330.457 2.600 40 0 EFABRN Cc1ccc(N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)nn1 ZINC000096209882 473346337 /nfs/dbraw/zinc/34/63/37/473346337.db2.gz FOPZYUBUWHPEOB-CQSZACIVSA-N 0 0 344.390 2.526 40 0 EFABRN CCn1c(CCNC(=O)N2CCC[C@]2(CC)CO)nc2ccccc21 ZINC000190653766 473347340 /nfs/dbraw/zinc/34/73/40/473347340.db2.gz OGPSWALOXUCIIQ-LJQANCHMSA-N 0 0 344.459 2.545 40 0 EFABRN Cc1cccc(CO[C@@H]2CO[C@]3(C2)CCCN(C(=O)CC2CC2)C3)n1 ZINC000096209814 473348037 /nfs/dbraw/zinc/34/80/37/473348037.db2.gz GZNBZDVGFMKCML-ICSRJNTNSA-N 0 0 344.455 2.857 40 0 EFABRN Cc1ccc(N2CCC[C@@]3(CCN(C(=O)CC(F)(F)F)C3)C2)nn1 ZINC000096217132 473349752 /nfs/dbraw/zinc/34/97/52/473349752.db2.gz XVBZTSNQCTVYLC-OAHLLOKOSA-N 0 0 342.365 2.556 40 0 EFABRN Cc1ccsc1C(=O)N1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216900 473350155 /nfs/dbraw/zinc/35/01/55/473350155.db2.gz SZHPYRJKSYXGJD-SFHVURJKSA-N 0 0 342.468 2.979 40 0 EFABRN CO[C@@H]1CCN(C(=O)Cc2csc3ccccc23)[C@H]2CCO[C@@H]21 ZINC000096218013 473350167 /nfs/dbraw/zinc/35/01/67/473350167.db2.gz HODOGXLDGDDZEP-DAYGRLMNSA-N 0 0 331.437 2.849 40 0 EFABRN Cc1nc([C@@H]2COCCN2C(=O)COc2ccc(F)cc2)cs1 ZINC000096217220 473350292 /nfs/dbraw/zinc/35/02/92/473350292.db2.gz FHXWNUIFHODBCM-HNNXBMFYSA-N 0 0 336.388 2.570 40 0 EFABRN O=C(Cc1cccs1)N1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096217191 473350674 /nfs/dbraw/zinc/35/06/74/473350674.db2.gz XCRYDEZNCGDRCK-MRXNPFEDSA-N 0 0 348.497 2.661 40 0 EFABRN CCN(C)c1ccnc([C@H]2COCCN2Cc2ccccc2OC)n1 ZINC000096219407 473351146 /nfs/dbraw/zinc/35/11/46/473351146.db2.gz NLCPHGAOMDJXJZ-MRXNPFEDSA-N 0 0 342.443 2.515 40 0 EFABRN c1cc(NC2CCCC2)nc([C@H]2COCCN2CC2CCOCC2)n1 ZINC000096219184 473351162 /nfs/dbraw/zinc/35/11/62/473351162.db2.gz VXCDEQIMAONYMM-QGZVFWFLSA-N 0 0 346.475 2.631 40 0 EFABRN Cc1csc(C[C@H]2OC[C@H]3CN(C(=O)c4cscn4)CC[C@@H]23)n1 ZINC000096219011 473351617 /nfs/dbraw/zinc/35/16/17/473351617.db2.gz VNALEFOCQGRKHZ-YRGRVCCFSA-N 0 0 349.481 2.628 40 0 EFABRN Cc1occc1C(=O)N1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000096219226 473351948 /nfs/dbraw/zinc/35/19/48/473351948.db2.gz VYVNJGJIGOLRPS-ACJLOTCBSA-N 0 0 345.374 2.608 40 0 EFABRN Cc1occc1C(=O)N1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219223 473352682 /nfs/dbraw/zinc/35/26/82/473352682.db2.gz VYVNJGJIGOLRPS-SCLBCKFNSA-N 0 0 345.374 2.608 40 0 EFABRN O=C(NC1CCCC1)N1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC000096221782 473353180 /nfs/dbraw/zinc/35/31/80/473353180.db2.gz 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328.397 2.708 40 0 EFABRN O=C(CSc1nnc(-c2ccncc2)o1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000004869823 471478220 /nfs/dbraw/zinc/47/82/20/471478220.db2.gz CUTIAZDVZXAAFC-CYZMBNFOSA-N 0 0 330.413 2.529 40 0 EFABRN C[C@H]1CCCN([C@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000004925237 471479266 /nfs/dbraw/zinc/47/92/66/471479266.db2.gz AUVFDGPODCUOET-LPHOPBHVSA-N 0 0 348.454 2.938 40 0 EFABRN CCCc1cc(N2CCN(c3ccccc3F)CC2)n2ncnc2n1 ZINC000004897977 471479373 /nfs/dbraw/zinc/47/93/73/471479373.db2.gz RWGBESDLIZKVJA-UHFFFAOYSA-N 0 0 340.406 2.543 40 0 EFABRN Cc1ccccc1CN(C)C(=O)CSc1nnc(C2CC2)n1C ZINC000004946814 471480061 /nfs/dbraw/zinc/48/00/61/471480061.db2.gz NLNFMRIHMCNSNN-UHFFFAOYSA-N 0 0 330.457 2.752 40 0 EFABRN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)CC(=O)N2 ZINC000004944423 471480101 /nfs/dbraw/zinc/48/01/01/471480101.db2.gz HVGQJXXDRQBJOZ-NSHDSACASA-N 0 0 333.388 2.885 40 0 EFABRN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)CC(=O)N2 ZINC000004944196 471480228 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471900465 /nfs/dbraw/zinc/90/04/65/471900465.db2.gz AFCKHTIGABEVIH-SNVBAGLBSA-N 0 0 325.411 2.574 40 0 EFABRN CCc1nc(N)nc2c1C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000015424350 471905192 /nfs/dbraw/zinc/90/51/92/471905192.db2.gz KYKVUXPOONZNLP-LLVKDONJSA-N 0 0 327.384 2.551 40 0 EFABRN Cc1nc(-c2ccc(CCN3C(=O)[C@H](C)NC3=S)cc2)cs1 ZINC000015570608 471909093 /nfs/dbraw/zinc/90/90/93/471909093.db2.gz NAHJUHJCSFMWFD-JTQLQIEISA-N 0 0 331.466 2.766 40 0 EFABRN CCn1c2ccc(C(=O)NC3CCCCCCC3)cc2[nH]c(=O)c1=O ZINC000015593469 471911045 /nfs/dbraw/zinc/91/10/45/471911045.db2.gz SJBTVLXQEFCIPI-UHFFFAOYSA-N 0 0 343.427 2.552 40 0 EFABRN O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)N(Cc2cccs2)C1 ZINC000015674212 471914326 /nfs/dbraw/zinc/91/43/26/471914326.db2.gz BCAFPPXWGGZAJB-RISCZKNCSA-N 0 0 328.397 2.501 40 0 biogenic,in-vitro EFABRN Cc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1 ZINC000015734100 471916144 /nfs/dbraw/zinc/91/61/44/471916144.db2.gz LWPMRSQDWWAMHH-UHFFFAOYSA-N 0 0 341.392 2.694 40 0 EFABRN CCCN1c2ccc(C(=O)N3CCCCC3)cc2S(=O)(=O)N=C1C ZINC000015867590 471919980 /nfs/dbraw/zinc/91/99/80/471919980.db2.gz MVUJYMRLIKGGFQ-UHFFFAOYSA-N 0 0 349.456 2.650 40 0 EFABRN CC(=O)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000015865543 471920318 /nfs/dbraw/zinc/92/03/18/471920318.db2.gz LEPGOYOGVNKZIQ-UHFFFAOYSA-N 0 0 343.770 2.885 40 0 EFABRN CCN1CCc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000015880166 471921517 /nfs/dbraw/zinc/92/15/17/471921517.db2.gz OKSSYJRVCJITEZ-UHFFFAOYSA-N 0 0 347.440 2.791 40 0 EFABRN CCC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OC ZINC000016093436 471925924 /nfs/dbraw/zinc/92/59/24/471925924.db2.gz BUXFIERRPYKHFR-VIFPVBQESA-N 0 0 336.251 2.925 40 0 EFABRN CCOC(=O)c1c(C)c(C)sc1NC(=S)N[C@H](C)COC ZINC000016267876 471929303 /nfs/dbraw/zinc/92/93/03/471929303.db2.gz LTIQDXVYYMYAMK-MRVPVSSYSA-N 0 0 330.475 2.863 40 0 EFABRN Cc1cc(C)c(NC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)c1 ZINC000016313790 471931849 /nfs/dbraw/zinc/93/18/49/471931849.db2.gz IVSJXQZEVGYOST-UHFFFAOYSA-N 0 0 343.379 2.977 40 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ZINC000025137362 472081499 /nfs/dbraw/zinc/08/14/99/472081499.db2.gz MCDQFQXTUDBHPK-UHFFFAOYSA-N 0 0 344.484 2.760 40 0 EFABRN COc1ccccc1N1CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000025217272 472084661 /nfs/dbraw/zinc/08/46/61/472084661.db2.gz DMFCANPKOPWISN-SFHVURJKSA-N 0 0 330.403 2.690 40 0 EFABRN O=C(c1ccoc1)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000025237486 472086161 /nfs/dbraw/zinc/08/61/61/472086161.db2.gz BVNQWGDJEDMGDN-UHFFFAOYSA-N 0 0 336.750 2.670 40 0 EFABRN COc1cc(C(=O)Nc2cnn(C)c2)ccc1OCc1cscn1 ZINC000025309931 472089379 /nfs/dbraw/zinc/08/93/79/472089379.db2.gz YJAYCLWGGWAMEK-UHFFFAOYSA-N 0 0 344.396 2.717 40 0 EFABRN Cc1ccc([C@@H](CNC(=O)c2c(C)oc(C)c2C)N2CCOCC2)o1 ZINC000025400143 472094480 /nfs/dbraw/zinc/09/44/80/472094480.db2.gz KSJHOQBOWDTKPH-MRXNPFEDSA-N 0 0 346.427 2.910 40 0 EFABRN CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NC(=O)Nc1ccccc1 ZINC000067889744 472105554 /nfs/dbraw/zinc/10/55/54/472105554.db2.gz FRHKXTGLMPPRFJ-DYVFJYSZSA-N 0 0 343.427 2.988 40 0 biogenic,in-vitro EFABRN 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COc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)ccc1Cl ZINC000128299647 472432025 /nfs/dbraw/zinc/43/20/25/472432025.db2.gz VDDPERYEQLNSBE-UHFFFAOYSA-N 0 0 338.835 2.679 40 0 EFABRN COc1ccccc1[C@H](C)NC(=O)NCCc1cn2ccccc2n1 ZINC000045610772 472432130 /nfs/dbraw/zinc/43/21/30/472432130.db2.gz CPYVAQJNDFUFCW-AWEZNQCLSA-N 0 0 338.411 2.946 40 0 EFABRN COc1ccccc1C(C)(C)NC(=O)CNC(=O)c1ccccc1C ZINC000097096023 472443057 /nfs/dbraw/zinc/44/30/57/472443057.db2.gz KDNKTSTXWXPDEX-UHFFFAOYSA-N 0 0 340.423 2.785 40 0 EFABRN O=C(OC1CCN(CC(F)F)CC1)c1ccc(N2CCCC2)nc1 ZINC000097098249 472444754 /nfs/dbraw/zinc/44/47/54/472444754.db2.gz ZSCWBXVHCFBHFB-UHFFFAOYSA-N 0 0 339.386 2.568 40 0 EFABRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)c(OC)c1 ZINC000032586447 472445536 /nfs/dbraw/zinc/44/55/36/472445536.db2.gz MVTODIVIQQGRRH-UHFFFAOYSA-N 0 0 337.397 2.822 40 0 EFABRN Cc1nnnn1-c1cccc(NC(=O)NCc2ccccc2Cl)c1 ZINC000045689891 472445602 /nfs/dbraw/zinc/44/56/02/472445602.db2.gz KTTRAQXBLQQAJL-UHFFFAOYSA-N 0 0 342.790 2.946 40 0 EFABRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1ccccc1CC)CC2 ZINC000097100728 472446530 /nfs/dbraw/zinc/44/65/30/472446530.db2.gz VGEFBWXEVZOJAC-ZWKOTPCHSA-N 0 0 346.471 2.711 40 0 EFABRN C[C@H](Cn1cc(Br)cn1)C(=O)NCCc1ccccc1 ZINC000032610828 472447229 /nfs/dbraw/zinc/44/72/29/472447229.db2.gz JVEOAZZSXFQNAJ-GFCCVEGCSA-N 0 0 336.233 2.641 40 0 EFABRN O=C(c1ncccc1O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000097102404 472447224 /nfs/dbraw/zinc/44/72/24/472447224.db2.gz JSGHWAYUJJXTEY-UKRRQHHQSA-N 0 0 330.384 2.889 40 0 EFABRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cc[nH]n2)C1 ZINC000097102505 472447366 /nfs/dbraw/zinc/44/73/66/472447366.db2.gz JDAOYYKFIGHBDZ-ZYHUDNBSSA-N 0 0 348.369 2.830 40 0 EFABRN O=C(Nc1ccc(Cl)c(F)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000097101156 472447663 /nfs/dbraw/zinc/44/76/63/472447663.db2.gz GGEIHVAGMQBHTC-GFCCVEGCSA-N 0 0 341.814 2.665 40 0 EFABRN O=C(Nc1cccc2c1CCCC2)N1CC[C@@H](CN2CCOCC2)C1 ZINC000097101127 472447755 /nfs/dbraw/zinc/44/77/55/472447755.db2.gz 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/nfs/dbraw/zinc/45/53/39/472455339.db2.gz LHNZNVZMLKQKTF-UHFFFAOYSA-N 0 0 341.396 2.606 40 0 EFABRN CN(C)C(=O)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000045776728 472461988 /nfs/dbraw/zinc/46/19/88/472461988.db2.gz FQLLHFGDMFOYES-KRWDZBQOSA-N 0 0 328.437 2.724 40 0 EFABRN CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 ZINC000032772789 472466121 /nfs/dbraw/zinc/46/61/21/472466121.db2.gz ICYZSMABZQZKIL-SNVBAGLBSA-N 0 0 339.351 2.617 40 0 EFABRN C[C@H]1NC(=S)N(Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1=O ZINC000057771477 472473662 /nfs/dbraw/zinc/47/36/62/472473662.db2.gz OUPOMLHHHRZUOL-GFCCVEGCSA-N 0 0 338.432 2.894 40 0 EFABRN CC[C@H]1CCCCN1C(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1 ZINC000032887719 472476290 /nfs/dbraw/zinc/47/62/90/472476290.db2.gz CFMDBMANELFKIX-DOMZBBRYSA-N 0 0 331.395 2.831 40 0 EFABRN COc1cc(Cl)c(NC(=O)Cn2nnc3ccccc32)cc1OC ZINC000032883041 472476441 /nfs/dbraw/zinc/47/64/41/472476441.db2.gz YRQZZPCHIOZRIJ-UHFFFAOYSA-N 0 0 346.774 2.741 40 0 EFABRN O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 ZINC000032904152 472477812 /nfs/dbraw/zinc/47/78/12/472477812.db2.gz NPUOSWBYAFRIQZ-OAHLLOKOSA-N 0 0 338.367 2.548 40 0 EFABRN CCOc1ccccc1C(=O)N1CCC(Nc2ccnc(C)n2)CC1 ZINC000097212655 472480799 /nfs/dbraw/zinc/48/07/99/472480799.db2.gz YQMNHNNUESUYOC-UHFFFAOYSA-N 0 0 340.427 2.900 40 0 EFABRN O=C(CSc1nnnn1C1CC1)NCc1csc2ccccc12 ZINC000057840584 472482157 /nfs/dbraw/zinc/48/21/57/472482157.db2.gz LTYHLZIGDNNMQB-UHFFFAOYSA-N 0 0 345.453 2.631 40 0 EFABRN CC(=O)c1cccc(N(Cc2cnc(Cl)s2)S(C)(=O)=O)c1 ZINC000097230090 472483492 /nfs/dbraw/zinc/48/34/92/472483492.db2.gz GADYJDWVPVYUHE-UHFFFAOYSA-N 0 0 344.845 2.965 40 0 EFABRN O=C(c1ccncc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000097230499 472483783 /nfs/dbraw/zinc/48/37/83/472483783.db2.gz DAVRFRPVYQKYRP-UHFFFAOYSA-N 0 0 333.794 2.832 40 0 EFABRN CCc1cnccc1C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000097231087 472483872 /nfs/dbraw/zinc/48/38/72/472483872.db2.gz LBOXAOFXKRRXGU-HNNXBMFYSA-N 0 0 338.411 2.530 40 0 EFABRN COCCN(C)Cc1ccnc(NC(=O)c2cccc(C)c2F)c1 ZINC000097228010 472484170 /nfs/dbraw/zinc/48/41/70/472484170.db2.gz VNUHYMBYFKPIPR-UHFFFAOYSA-N 0 0 331.391 2.860 40 0 EFABRN CNS(=O)(=O)c1ccc([C@H](C)Nc2ccc3c(c2)COC3)cc1 ZINC000097231628 472485025 /nfs/dbraw/zinc/48/50/25/472485025.db2.gz RGYTUSHSCGYQQJ-LBPRGKRZSA-N 0 0 332.425 2.798 40 0 EFABRN Cc1ccc([C@](C)(O)CNC(=O)CCc2ccc(O)c(Cl)c2)o1 ZINC000097237119 472485836 /nfs/dbraw/zinc/48/58/36/472485836.db2.gz XNQQQMBLRQIZBJ-QGZVFWFLSA-N 0 0 337.803 2.904 40 0 EFABRN CCNC(=O)[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000032999475 472489033 /nfs/dbraw/zinc/48/90/33/472489033.db2.gz AECFJIVXCRHSGX-HNNXBMFYSA-N 0 0 336.501 2.972 40 0 EFABRN Cc1csc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1 ZINC000057876109 472489107 /nfs/dbraw/zinc/48/91/07/472489107.db2.gz GHTDHYXYJVPTGS-UHFFFAOYSA-N 0 0 341.458 2.625 40 0 EFABRN CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000033024134 472490181 /nfs/dbraw/zinc/49/01/81/472490181.db2.gz 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/nfs/dbraw/zinc/49/44/01/472494401.db2.gz NGGBFHASKKHTAW-HNNXBMFYSA-N 0 0 338.423 2.787 40 0 EFABRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H](C)CC1CC1 ZINC000097376540 472495228 /nfs/dbraw/zinc/49/52/28/472495228.db2.gz RCJFEZJUTNFEMQ-JTQLQIEISA-N 0 0 328.409 2.929 40 0 EFABRN COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc3[nH]ccc3c2)c1 ZINC000118507574 472498229 /nfs/dbraw/zinc/49/82/29/472498229.db2.gz QAZZJAOAOOZXCB-GOSISDBHSA-N 0 0 340.379 2.649 40 0 EFABRN COc1cc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc(OC)c1 ZINC000033147719 472501305 /nfs/dbraw/zinc/50/13/05/472501305.db2.gz IETYSHIOTAHURK-QGZVFWFLSA-N 0 0 326.352 2.836 40 0 EFABRN CC[C@@H](C)NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000046057945 472505029 /nfs/dbraw/zinc/50/50/29/472505029.db2.gz QFMNUFGDYTUILT-SNVBAGLBSA-N 0 0 340.470 2.825 40 0 EFABRN COc1cccc(-c2nnc(NCc3c(Cl)cnn3C)o2)c1OC ZINC000128877485 472506931 /nfs/dbraw/zinc/50/69/31/472506931.db2.gz GVCCRBXXBWIFTN-UHFFFAOYSA-N 0 0 349.778 2.753 40 0 EFABRN C[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)c1cc2cc(Cl)ccc2o1 ZINC000077348310 472508943 /nfs/dbraw/zinc/50/89/43/472508943.db2.gz HPKKUHLFYIFZJS-ZJUUUORDSA-N 0 0 337.807 2.923 40 0 EFABRN COC(=O)[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)c2ccccc2O1 ZINC000058158031 472509326 /nfs/dbraw/zinc/50/93/26/472509326.db2.gz GVQNNUPQOQILRX-HNNXBMFYSA-N 0 0 333.290 2.546 40 0 EFABRN CCOC(=O)CCC(=O)Nc1cc(Br)ccc1OC ZINC000058162780 472509832 /nfs/dbraw/zinc/50/98/32/472509832.db2.gz XZHAFVRWCHCTBV-UHFFFAOYSA-N 0 0 330.178 2.740 40 0 EFABRN O=C(NCc1cccnc1)C1CCN(C(=O)C2=CCCCCC2)CC1 ZINC000128913094 472510747 /nfs/dbraw/zinc/51/07/47/472510747.db2.gz OLHNCPKNJZMVHK-UHFFFAOYSA-N 0 0 341.455 2.827 40 0 EFABRN Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(NC(=O)C(C)C)n(C)n1 ZINC000046089001 472511001 /nfs/dbraw/zinc/51/10/01/472511001.db2.gz VQYBDAACTGNBAD-UHFFFAOYSA-N 0 0 346.435 2.661 40 0 EFABRN CC1(C)Oc2cc(NC(=O)COc3ccc(F)cc3)ccc2NC1=O ZINC000046089253 472511281 /nfs/dbraw/zinc/51/12/81/472511281.db2.gz NTKYQPYFHWPRPD-UHFFFAOYSA-N 0 0 344.342 2.953 40 0 EFABRN Cc1ccc(C(=O)N2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)s1 ZINC000097953747 472511607 /nfs/dbraw/zinc/51/16/07/472511607.db2.gz UCLGQYYIZYAAMN-YQQAZPJKSA-N 0 0 344.436 2.903 40 0 EFABRN CC(C)C(=O)Nc1cc(C(=O)NCc2ccc(Cl)cc2)nn1C ZINC000046089045 472511653 /nfs/dbraw/zinc/51/16/53/472511653.db2.gz KPLGJJWGCRVUBK-UHFFFAOYSA-N 0 0 334.807 2.598 40 0 EFABRN Cc1noc(C)c1CN1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000097953748 472512413 /nfs/dbraw/zinc/51/24/13/472512413.db2.gz DMVIQGBJWBILNC-GBESFXJTSA-N 0 0 343.427 2.635 40 0 EFABRN COc1ccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000097953741 472512635 /nfs/dbraw/zinc/51/26/35/472512635.db2.gz LUTAQSRCZFEBKT-SLFFLAALSA-N 0 0 340.423 2.901 40 0 EFABRN CO[C@H]1CC[C@H](C(=O)N[C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000100162538 472526073 /nfs/dbraw/zinc/52/60/73/472526073.db2.gz BYQPLILRESPGQL-IXDOHACOSA-N 0 0 327.428 2.831 40 0 EFABRN Cc1c(-c2cccs2)nn2c1[nH]c1c(c2=O)CN(C(=O)C2CC2)C1 ZINC000100215448 472526284 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Cc1cc([C@@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)c(C)s1 ZINC000046362751 472548135 /nfs/dbraw/zinc/54/81/35/472548135.db2.gz QZBKGUNDXANZQD-LLVKDONJSA-N 0 0 332.425 2.720 40 0 EFABRN C[C@H](COc1ccc(F)cc1)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000119351053 472549461 /nfs/dbraw/zinc/54/94/61/472549461.db2.gz BVZCIQLOEITZOW-VMGRFDJRSA-N 0 0 336.407 2.850 40 0 EFABRN Cc1cc(Br)cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c1 ZINC000129532878 472550347 /nfs/dbraw/zinc/55/03/47/472550347.db2.gz MUSJFBFMJZTMAN-MGNBDDOMSA-N 0 0 332.263 2.644 40 0 EFABRN Cc1cccc(NC2CCN(C(=O)Cc3cccc(O)c3)CC2)n1 ZINC000077615189 472567438 /nfs/dbraw/zinc/56/74/38/472567438.db2.gz YFKOKEXYRHNILG-UHFFFAOYSA-N 0 0 325.412 2.741 40 0 EFABRN Cn1cc(CCC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)cn1 ZINC000077638702 472571759 /nfs/dbraw/zinc/57/17/59/472571759.db2.gz RBWWPPXIOPMRAV-CYBMUJFWSA-N 0 0 342.226 2.509 40 0 EFABRN C[C@H](OCC1CC1)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000077647666 472573904 /nfs/dbraw/zinc/57/39/04/472573904.db2.gz 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CC(=O)N1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000072342930 472664150 /nfs/dbraw/zinc/66/41/50/472664150.db2.gz AFXKVSWFAQLIML-AWEZNQCLSA-N 0 0 339.399 2.727 40 0 EFABRN O=C(c1cc(N2CCOCC2)ccn1)N(CC1CC1)c1ccccc1 ZINC000131651001 472683808 /nfs/dbraw/zinc/68/38/08/472683808.db2.gz JWJVPXCMEZLVKN-UHFFFAOYSA-N 0 0 337.423 2.975 40 0 EFABRN COc1cc(NC(=O)CNC(=O)C2=CCCCCC2)cc(OC)c1 ZINC000131666959 472684738 /nfs/dbraw/zinc/68/47/38/472684738.db2.gz YDXBOKPROXXVOA-UHFFFAOYSA-N 0 0 332.400 2.649 40 0 EFABRN C[C@H](NC(=O)N1CCN(c2cc(F)ccc2F)CC1)c1ccccn1 ZINC000078289944 472688013 /nfs/dbraw/zinc/68/80/13/472688013.db2.gz JJNJDBKIATXROX-ZDUSSCGKSA-N 0 0 346.381 2.953 40 0 EFABRN CN(C)c1ccnc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)c1 ZINC000131758251 472691079 /nfs/dbraw/zinc/69/10/79/472691079.db2.gz UIFFXAWZSNAMAA-UHFFFAOYSA-N 0 0 325.412 2.906 40 0 EFABRN COc1cccc(OCC(=O)NCCCN(C)c2ccccc2)c1 ZINC000061279901 472697024 /nfs/dbraw/zinc/69/70/24/472697024.db2.gz REYGTSVRZXCWQC-UHFFFAOYSA-N 0 0 328.412 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332.425 2.936 40 0 EFABRN O=C(COC[C@@H]1CCCO1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1 ZINC000409412850 476984360 /nfs/dbraw/zinc/98/43/60/476984360.db2.gz SGSJBJXVQUMSEA-OCBLOMHFSA-N 0 0 329.440 2.881 40 0 EFABRN O=C(CC1CCCC1)NCc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000371248105 477197929 /nfs/dbraw/zinc/19/79/29/477197929.db2.gz UFORIUZLHKEDQV-NSHDSACASA-N 0 0 330.354 2.599 40 0 EFABRN CC[C@H](O)/C=C\[C@@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)OC ZINC000514288237 479020204 /nfs/dbraw/zinc/02/02/04/479020204.db2.gz XXSLBRVBLXGGQS-LPECFMKPSA-N 0 0 342.476 2.885 40 0 biogenic,in-vitro EFABRN CC[C@H](O)CC(=O)[C@H](C)[C@H](O)[C@@H](C)c1ccc(C)cc1/C=C/CO ZINC000514287774 479021597 /nfs/dbraw/zinc/02/15/97/479021597.db2.gz VCUZNJOVWJAZDY-RQTCMYMCSA-N 0 0 334.456 2.831 40 0 biogenic,in-vitro EFABRN CN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514290371 479022809 /nfs/dbraw/zinc/02/28/09/479022809.db2.gz YZRATQMUUIYGPZ-XYJFISCASA-N 0 0 348.443 2.813 40 0 biogenic,in-vitro EFABRN 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/nfs/dbraw/zinc/10/74/59/217107459.db2.gz BOSNYFMTPCQILV-UHFFFAOYSA-N 0 0 330.457 2.728 40 0 EFABRN CN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(C)(C)O ZINC000078727912 217110359 /nfs/dbraw/zinc/11/03/59/217110359.db2.gz OUUDOSQEXVJXCN-UHFFFAOYSA-N 0 0 329.322 2.958 40 0 EFABRN CC(=O)N(C)Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000078774638 217118846 /nfs/dbraw/zinc/11/88/46/217118846.db2.gz IRJYDPFFJYVFQG-UHFFFAOYSA-N 0 0 338.367 2.689 40 0 EFABRN C[C@@]1(C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1(Cl)Cl ZINC000078797769 217124064 /nfs/dbraw/zinc/12/40/64/217124064.db2.gz HMDKYSQDACIHBH-HNNXBMFYSA-N 0 0 347.286 2.821 40 0 EFABRN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCOC[C@@H]1C1CC1 ZINC000135960780 223616550 /nfs/dbraw/zinc/61/65/50/223616550.db2.gz PXDIDMPERVETBB-MLGOLLRUSA-N 0 0 334.464 2.828 40 0 EFABRN COc1ccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)cc1 ZINC000016954108 211942286 /nfs/dbraw/zinc/94/22/86/211942286.db2.gz IYOLCJZPVFAZOW-UHFFFAOYSA-N 0 0 331.397 2.681 40 0 EFABRN CC(C)[C@H](C(=O)N[C@H](C)c1nc2c(s1)CCCC2)N1CCCC1=O ZINC000078912639 217145979 /nfs/dbraw/zinc/14/59/79/217145979.db2.gz RNNGXCAHWULWIC-MLGOLLRUSA-N 0 0 349.500 2.846 40 0 EFABRN Cc1ccoc1C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000078919201 217147118 /nfs/dbraw/zinc/14/71/18/217147118.db2.gz CGNKPQNCEWHJDH-UHFFFAOYSA-N 0 0 331.416 2.835 40 0 EFABRN COc1cccc(CCC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000078917289 217147304 /nfs/dbraw/zinc/14/73/04/217147304.db2.gz YAJLTSMOGMUVET-HNNXBMFYSA-N 0 0 348.443 2.753 40 0 EFABRN O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000078914774 217147457 /nfs/dbraw/zinc/14/74/57/217147457.db2.gz KIIBUPFWQQPGNP-QWHCGFSZSA-N 0 0 339.326 2.510 40 0 EFABRN COc1cccc(CCC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000078917294 217147555 /nfs/dbraw/zinc/14/75/55/217147555.db2.gz YAJLTSMOGMUVET-OAHLLOKOSA-N 0 0 348.443 2.753 40 0 EFABRN CCN(Cc1ccoc1)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078926096 217148745 /nfs/dbraw/zinc/14/87/45/217148745.db2.gz GLNWKBDMBPHPOP-AWEZNQCLSA-N 0 0 337.420 2.821 40 0 EFABRN O=C(NC1CC1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1 ZINC000110573676 220043797 /nfs/dbraw/zinc/04/37/97/220043797.db2.gz UYRJEXVNVGWNIP-COXVUDFISA-N 0 0 330.403 2.878 40 0 EFABRN CCn1nc(C)c(CNC(=O)[C@@H](C)N2CCc3ccccc3C2)c1C ZINC000078928924 217150132 /nfs/dbraw/zinc/15/01/32/217150132.db2.gz RRHAOIJEQMECEW-MRXNPFEDSA-N 0 0 340.471 2.583 40 0 EFABRN CO[C@@H]1CCC[C@@H]1OC(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC000078985652 217165154 /nfs/dbraw/zinc/16/51/54/217165154.db2.gz OASXHENGOFZAFQ-CABCVRRESA-N 0 0 327.421 2.602 40 0 EFABRN C[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccsc2)CC1 ZINC000078987525 217166824 /nfs/dbraw/zinc/16/68/24/217166824.db2.gz PBWDJFFOVXQSEW-OAHLLOKOSA-N 0 0 342.464 2.911 40 0 EFABRN O=C(CCCNC(=O)c1cccc(F)c1)N1CCc2ccccc2C1 ZINC000078987581 217166850 /nfs/dbraw/zinc/16/68/50/217166850.db2.gz BSGRCEBJCZNBAN-UHFFFAOYSA-N 0 0 340.398 2.921 40 0 EFABRN Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)cn1 ZINC000078989923 217167602 /nfs/dbraw/zinc/16/76/02/217167602.db2.gz IEKRMCYTPHZITD-AEFFLSMTSA-N 0 0 335.411 2.901 40 0 EFABRN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1CCOCC1 ZINC000078996858 217169838 /nfs/dbraw/zinc/16/98/38/217169838.db2.gz UPHLTFSXRYDQFS-UHFFFAOYSA-N 0 0 338.835 2.944 40 0 EFABRN CSc1ccc(C(=O)Nc2nc(CN3CCOCC3)cs2)o1 ZINC000078999005 217170127 /nfs/dbraw/zinc/17/01/27/217170127.db2.gz GUQXTWGDWVANCI-UHFFFAOYSA-N 0 0 339.442 2.543 40 0 EFABRN C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000078978843 217162363 /nfs/dbraw/zinc/16/23/63/217162363.db2.gz DQVCZTDMTNOLJF-NSHDSACASA-N 0 0 329.849 2.951 40 0 EFABRN O=C(CCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000078979458 217162916 /nfs/dbraw/zinc/16/29/16/217162916.db2.gz NJINWWDGFJAADH-NEPJUHHUSA-N 0 0 343.349 2.895 40 0 EFABRN Cc1cccc(CCCOC(=O)c2cccc(N3CCNC3=O)c2)n1 ZINC000078985060 217164380 /nfs/dbraw/zinc/16/43/80/217164380.db2.gz DDHKXSGMLKQQKY-UHFFFAOYSA-N 0 0 339.395 2.709 40 0 EFABRN CCn1cnnc1CNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000079022635 217176874 /nfs/dbraw/zinc/17/68/74/217176874.db2.gz DBSUNIWIFOICND-CQSZACIVSA-N 0 0 333.823 2.998 40 0 EFABRN O=C(CN1CCc2ccc(Br)cc21)NCc1ccccn1 ZINC000079028066 217177379 /nfs/dbraw/zinc/17/73/79/217177379.db2.gz QDFMIARZEAWVFN-UHFFFAOYSA-N 0 0 346.228 2.523 40 0 EFABRN COc1cccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2F)c1 ZINC000079036932 217178590 /nfs/dbraw/zinc/17/85/90/217178590.db2.gz ZGWCWMAMCOOJPC-NSHDSACASA-N 0 0 348.349 2.659 40 0 EFABRN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1ccc(F)cc1F ZINC000079034932 217178821 /nfs/dbraw/zinc/17/88/21/217178821.db2.gz QMAHXMZUDIZJBS-SSDOTTSWSA-N 0 0 344.159 2.994 40 0 EFABRN O=C(N[C@H]1CCC[C@@H]1Oc1ccccc1)N1CCC2(CC1)OCCO2 ZINC000079036494 217178840 /nfs/dbraw/zinc/17/88/40/217178840.db2.gz ACDAZPKNWDONAX-IRXDYDNUSA-N 0 0 346.427 2.535 40 0 EFABRN COc1cccc(C[C@H](C)NC(=O)C(=O)Nc2ccccc2F)c1 ZINC000079036914 217178864 /nfs/dbraw/zinc/17/88/64/217178864.db2.gz GDRQNESQDGPUGP-LBPRGKRZSA-N 0 0 330.359 2.520 40 0 EFABRN C[C@H](Nc1cnn(C)c(=O)c1Br)c1ccc(F)cc1F ZINC000079034927 217178867 /nfs/dbraw/zinc/17/88/67/217178867.db2.gz QMAHXMZUDIZJBS-ZETCQYMHSA-N 0 0 344.159 2.994 40 0 EFABRN O=c1[nH]c(CSc2nccn2Cc2ccccn2)nc2ccccc21 ZINC000079037903 217179368 /nfs/dbraw/zinc/17/93/68/217179368.db2.gz WNHVUHQMQCCSDI-UHFFFAOYSA-N 0 0 349.419 2.855 40 0 EFABRN C[C@H]1CCCC[C@@H]1OCC(=O)Oc1cccc(S(C)(=O)=O)c1 ZINC000079039265 217179623 /nfs/dbraw/zinc/17/96/23/217179623.db2.gz YLERRPGKMQGPQI-WFASDCNBSA-N 0 0 326.414 2.591 40 0 EFABRN C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000079040022 217179895 /nfs/dbraw/zinc/17/98/95/217179895.db2.gz QTLMAEDOHXHYMY-GOEBONIOSA-N 0 0 328.416 2.860 40 0 EFABRN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCc1ccccn1 ZINC000079038910 217180071 /nfs/dbraw/zinc/18/00/71/217180071.db2.gz BOESSGVYAKBDST-SFHVURJKSA-N 0 0 338.407 2.531 40 0 EFABRN O=C(N[C@@H]1COc2ccccc21)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000078999468 217171245 /nfs/dbraw/zinc/17/12/45/217171245.db2.gz AZDFRKAPSGTBFY-HLLBOEOZSA-N 0 0 342.439 2.665 40 0 EFABRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCCc1nncn1C ZINC000079001162 217171468 /nfs/dbraw/zinc/17/14/68/217171468.db2.gz BZCNEFQGKAGRDV-SNVBAGLBSA-N 0 0 341.242 2.659 40 0 EFABRN Cc1ccc(C(=O)N2CCCN(c3ncccn3)CC2)cc1Cl ZINC000079000223 217171544 /nfs/dbraw/zinc/17/15/44/217171544.db2.gz VZNPIKOJVNMVGB-UHFFFAOYSA-N 0 0 330.819 2.791 40 0 EFABRN Cc1cccc(CN(Cc2ccccn2)C(=O)CCn2cncn2)c1 ZINC000079000894 217171561 /nfs/dbraw/zinc/17/15/61/217171561.db2.gz YTWZEGZOGDWCCL-UHFFFAOYSA-N 0 0 335.411 2.601 40 0 EFABRN CC1(C)OC(=O)c2c1ccnc2NC1CCN(CC(F)F)CC1 ZINC000079002448 217172287 /nfs/dbraw/zinc/17/22/87/217172287.db2.gz KBCAHOHXMJLMBM-UHFFFAOYSA-N 0 0 325.359 2.629 40 0 EFABRN CC(C)(C)[S@](=O)CCNC(=O)CCOc1ccccc1Cl ZINC000079001844 217172411 /nfs/dbraw/zinc/17/24/11/217172411.db2.gz UTSJZUFBWLVHIO-NRFANRHFSA-N 0 0 331.865 2.772 40 0 EFABRN Cc1ccccc1[C@@H](NC(=O)CNC(=O)NCc1ccco1)C1CC1 ZINC000079002060 217172705 /nfs/dbraw/zinc/17/27/05/217172705.db2.gz UBTRYJITYZYKCC-SFHVURJKSA-N 0 0 341.411 2.655 40 0 EFABRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1coc2ccccc12 ZINC000079092961 217190267 /nfs/dbraw/zinc/19/02/67/217190267.db2.gz PPSUABRVGBHVOI-ZDUSSCGKSA-N 0 0 332.425 2.863 40 0 EFABRN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1coc2ccccc12 ZINC000079092965 217190361 /nfs/dbraw/zinc/19/03/61/217190361.db2.gz PPSUABRVGBHVOI-CYBMUJFWSA-N 0 0 332.425 2.863 40 0 EFABRN O=C(COC[C@H]1CCCO1)Nc1cc(F)ccc1N1CCCCC1 ZINC000079092855 217190789 /nfs/dbraw/zinc/19/07/89/217190789.db2.gz RGYSURTWLIHXDW-OAHLLOKOSA-N 0 0 336.407 2.950 40 0 EFABRN COc1ccc2[nH]cc(CCNC(=O)NCC[C@@H]3CCCO3)c2c1 ZINC000079098421 217192787 /nfs/dbraw/zinc/19/27/87/217192787.db2.gz PNILACNQBFDUIY-AWEZNQCLSA-N 0 0 331.416 2.587 40 0 EFABRN Cc1cc(C)c(CNC(=O)NCCS(=O)(=O)C(C)(C)C)c(C)c1 ZINC000079098571 217192816 /nfs/dbraw/zinc/19/28/16/217192816.db2.gz FTPIWKQYMSNYTC-UHFFFAOYSA-N 0 0 340.489 2.624 40 0 EFABRN C[C@@H](c1nc(-c2cccnc2)no1)N(CCO)Cc1ccsc1 ZINC000079099899 217193225 /nfs/dbraw/zinc/19/32/25/217193225.db2.gz BSNNFTAOGWXLBF-LBPRGKRZSA-N 0 0 330.413 2.749 40 0 EFABRN O=C(NCCSc1ccccc1F)C(=O)Nc1cccc(F)c1 ZINC000079101889 217194104 /nfs/dbraw/zinc/19/41/04/217194104.db2.gz LMFHBLFEXBGKET-UHFFFAOYSA-N 0 0 336.363 2.812 40 0 EFABRN COc1cc(C)sc1C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000079103259 217194442 /nfs/dbraw/zinc/19/44/42/217194442.db2.gz AVBZSLVTNCXKFB-CYBMUJFWSA-N 0 0 336.457 2.540 40 0 EFABRN CN(CCn1cccn1)C(=O)c1ccccc1NC(=O)C(C)(C)C ZINC000079049924 217182260 /nfs/dbraw/zinc/18/22/60/217182260.db2.gz XZGUDLLQUPZVGE-UHFFFAOYSA-N 0 0 328.416 2.640 40 0 EFABRN CC(C)(C)S(=O)(=O)CCNC(=O)C(C)(C)c1ccccc1Cl ZINC000079052093 217183080 /nfs/dbraw/zinc/18/30/80/217183080.db2.gz MHIRWQWJARAOOY-UHFFFAOYSA-N 0 0 345.892 2.947 40 0 EFABRN CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000079051847 217183238 /nfs/dbraw/zinc/18/32/38/217183238.db2.gz MMAUKIVAKNRWGT-OLZOCXBDSA-N 0 0 343.876 2.773 40 0 EFABRN CC(C)(C)S(=O)(=O)CCNC(=O)CCc1ccc(Cl)cc1 ZINC000079052189 217183457 /nfs/dbraw/zinc/18/34/57/217183457.db2.gz NPQZFNWDMRJLJM-UHFFFAOYSA-N 0 0 331.865 2.602 40 0 EFABRN COc1nc(C(=O)N[C@H](C)c2nnc3ccccn32)cc2ccccc21 ZINC000079121944 217197285 /nfs/dbraw/zinc/19/72/85/217197285.db2.gz WVFNORRJHLBQGK-GFCCVEGCSA-N 0 0 347.378 2.777 40 0 EFABRN CC(C)CCC(=O)NCC(=O)N[C@H](C)c1csc(C(C)C)n1 ZINC000079310841 217207272 /nfs/dbraw/zinc/20/72/72/217207272.db2.gz WBRDUMHXUUAMIO-GFCCVEGCSA-N 0 0 325.478 2.996 40 0 EFABRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000079309677 217207506 /nfs/dbraw/zinc/20/75/06/217207506.db2.gz VAAZIAAQLOZASM-GFCCVEGCSA-N 0 0 336.240 2.921 40 0 EFABRN C[C@@H](NC(=O)c1cccc(COc2cccc(F)c2)c1)C(=O)N(C)C ZINC000079310632 217207535 /nfs/dbraw/zinc/20/75/35/217207535.db2.gz IXRFBFFNICZLPQ-CYBMUJFWSA-N 0 0 344.386 2.611 40 0 EFABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](C)C2)cc1 ZINC000079335596 217210284 /nfs/dbraw/zinc/21/02/84/217210284.db2.gz LTQNIKGEAFCWOZ-CYBMUJFWSA-N 0 0 339.461 2.591 40 0 EFABRN 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472219018 /nfs/dbraw/zinc/21/90/18/472219018.db2.gz SLHZPCCTBHMACP-UHFFFAOYSA-N 0 0 337.427 2.978 40 0 EFABRN Cn1ccc(NC(=O)NCCc2csc(-c3ccccc3)n2)n1 ZINC000084877768 472224521 /nfs/dbraw/zinc/22/45/21/472224521.db2.gz USIWOFRSXAQMGY-UHFFFAOYSA-N 0 0 327.413 2.908 40 0 EFABRN C[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C(=O)Nc1ccccc1 ZINC000084938069 472228808 /nfs/dbraw/zinc/22/88/08/472228808.db2.gz PVMPMTWRRRTKGP-GFCCVEGCSA-N 0 0 344.392 2.738 40 0 EFABRN Cc1cc(C)n(CCCNC(=O)c2cccc(Cn3cccn3)c2)n1 ZINC000028573240 472229158 /nfs/dbraw/zinc/22/91/58/472229158.db2.gz BJBSTJDAFUDLES-UHFFFAOYSA-N 0 0 337.427 2.565 40 0 EFABRN COc1ccccc1N1CCN(C=C2SC(=S)NC2=O)CC1 ZINC000028615240 472230204 /nfs/dbraw/zinc/23/02/04/472230204.db2.gz NXTHVCNHSJTLEO-RAXLEYEMSA-N 0 0 335.454 2.647 40 0 EFABRN O=C(NCCCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000028645082 472231225 /nfs/dbraw/zinc/23/12/25/472231225.db2.gz HEDZMVCTHWQJLR-INIZCTEOSA-N 0 0 340.398 2.928 40 0 EFABRN C[C@@H](Sc1nc2ccc(Cl)cc2o1)C(=O)N1CCOCC1 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336.823 2.819 40 0 EFABRN COC[C@H]1CCCN(c2ncc(C)c(N3CCC[C@H](COC)C3)n2)C1 ZINC000085686850 472261968 /nfs/dbraw/zinc/26/19/68/472261968.db2.gz OGFXRFMOGSERDO-IRXDYDNUSA-N 0 0 348.491 2.511 40 0 EFABRN C[C@@H]1Oc2ccc(NC(=O)NCCc3cccs3)cc2NC1=O ZINC000043872436 472270158 /nfs/dbraw/zinc/27/01/58/472270158.db2.gz UTXVUSDHFDBRBY-JTQLQIEISA-N 0 0 331.397 2.832 40 0 EFABRN Cc1c(C(=O)O[C@@H](CCc2ccccc2)c2nccn2C)cnn1C ZINC000086037849 472272371 /nfs/dbraw/zinc/27/23/71/472272371.db2.gz IYDBMCAKPISJEH-KRWDZBQOSA-N 0 0 338.411 2.993 40 0 EFABRN c1ncn(-c2ccc(NCc3nnc(Cc4ccccc4)o3)cc2)n1 ZINC000086198784 472275072 /nfs/dbraw/zinc/27/50/72/472275072.db2.gz YBOVTMTWOQOQSJ-UHFFFAOYSA-N 0 0 332.367 2.853 40 0 EFABRN Cc1ccccc1C(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1 ZINC000043978106 472276915 /nfs/dbraw/zinc/27/69/15/472276915.db2.gz HUCGGLLMUKEXBW-UHFFFAOYSA-N 0 0 331.460 2.945 40 0 EFABRN COC(=O)[C@H](C)CNC(=O)Nc1ccc(F)cc1Br ZINC000086282937 472278845 /nfs/dbraw/zinc/27/88/45/472278845.db2.gz 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472328697 /nfs/dbraw/zinc/32/86/97/472328697.db2.gz UTMQTEUGJVAMTC-UHFFFAOYSA-N 0 0 333.450 2.788 40 0 EFABRN CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccccc1 ZINC000030420225 472332596 /nfs/dbraw/zinc/33/25/96/472332596.db2.gz UFBNITKRLMAAQQ-UHFFFAOYSA-N 0 0 330.203 2.863 40 0 EFABRN CC(C)(C(=O)Nc1cccc(N2CCCCCC2)c1)S(C)(=O)=O ZINC000076373727 472332844 /nfs/dbraw/zinc/33/28/44/472332844.db2.gz HINKAUMJRQCIGY-UHFFFAOYSA-N 0 0 338.473 2.829 40 0 EFABRN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000076377406 472333439 /nfs/dbraw/zinc/33/34/39/472333439.db2.gz HPYKLHUKTOEAQC-HUUCEWRRSA-N 0 0 331.437 2.925 40 0 EFABRN CN(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000030499340 472335677 /nfs/dbraw/zinc/33/56/77/472335677.db2.gz WGSMBSIWNVFJKS-MRXNPFEDSA-N 0 0 338.860 2.921 40 0 EFABRN O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1-n1cncn1 ZINC000030545919 472338599 /nfs/dbraw/zinc/33/85/99/472338599.db2.gz BVMWBLHVORJTAJ-UHFFFAOYSA-N 0 0 348.410 2.905 40 0 EFABRN 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336.395 2.580 40 0 EFABRN CSc1ncccc1C(=O)NC[C@](O)(c1ccccc1)C1CC1 ZINC000070966390 472529077 /nfs/dbraw/zinc/52/90/77/472529077.db2.gz BUKQXSHSRVVZOA-SFHVURJKSA-N 0 0 328.437 2.831 40 0 EFABRN O=S1(=O)CC[C@@H](N(Cc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000070980134 472531153 /nfs/dbraw/zinc/53/11/53/472531153.db2.gz CGEQIGIXRMOFJL-CVEARBPZSA-N 0 0 343.876 2.508 40 0 EFABRN Cc1ccnn1CC(=O)N[C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000071195742 472544655 /nfs/dbraw/zinc/54/46/55/472544655.db2.gz LZNZQVLBHTVLCI-KRWDZBQOSA-N 0 0 347.422 2.842 40 0 EFABRN CCn1nc(C)c(CCC(=O)N2CCN(c3ccccc3)CC2)c1C ZINC000071195405 472545152 /nfs/dbraw/zinc/54/51/52/472545152.db2.gz HTLWLJRXTUHUDM-UHFFFAOYSA-N 0 0 340.471 2.801 40 0 EFABRN O=C(N[C@@H]1CCCc2nc(-c3ccccn3)ncc21)c1ccccn1 ZINC000071195760 472545287 /nfs/dbraw/zinc/54/52/87/472545287.db2.gz QKKXTDOYXIPVQN-OAHLLOKOSA-N 0 0 331.379 2.741 40 0 EFABRN O=C(CCc1ccco1)N[C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000071195661 472545330 /nfs/dbraw/zinc/54/53/30/472545330.db2.gz 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EFABRN Brc1nc(Br)n(CCOc2ccccc2)n1 ZINC000071978784 472627382 /nfs/dbraw/zinc/62/73/82/472627382.db2.gz OBQJQFLNLACLLP-UHFFFAOYSA-N 0 0 347.010 2.882 40 0 EFABRN NC1=NC(=O)[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000071975863 472627756 /nfs/dbraw/zinc/62/77/56/472627756.db2.gz YKKHSJOGUPFDNJ-MRXNPFEDSA-N 0 0 334.206 2.876 40 0 EFABRN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCC[C@H](O)C1 ZINC000072008095 472628386 /nfs/dbraw/zinc/62/83/86/472628386.db2.gz PSOVVORPQNTPDD-JTQLQIEISA-N 0 0 337.326 2.825 40 0 EFABRN COC[C@H](O)CN(C)c1ncnc2sc(-c3ccccc3)cc21 ZINC000059949467 472632211 /nfs/dbraw/zinc/63/22/11/472632211.db2.gz PEEAILVCYFLFIM-CYBMUJFWSA-N 0 0 329.425 2.802 40 0 EFABRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc(Cl)ncn2)C1 ZINC000072203529 472632779 /nfs/dbraw/zinc/63/27/79/472632779.db2.gz PBGQWBVCWJQYKT-LLVKDONJSA-N 0 0 326.828 2.966 40 0 EFABRN Cc1cnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1Cl ZINC000072203259 472632785 /nfs/dbraw/zinc/63/27/85/472632785.db2.gz FBNPXDHUWQWIIV-NSHDSACASA-N 0 0 326.828 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/nfs/dbraw/zinc/03/45/87/476034587.db2.gz GNYJLVXZYYNNCK-GFCCVEGCSA-N 0 0 342.365 2.771 40 0 EFABRN CCn1nc(CN2CCC3(CCC3)S(=O)(=O)CC2)c2ccccc21 ZINC000333948042 476069472 /nfs/dbraw/zinc/06/94/72/476069472.db2.gz WABVSSWZAVXHOY-UHFFFAOYSA-N 0 0 347.484 2.599 40 0 EFABRN COCC1CCC(NC(=O)N2CCC(c3ccnn3C)CC2)CC1 ZINC000334133191 476121073 /nfs/dbraw/zinc/12/10/73/476121073.db2.gz WCLYRHNLOIUGDM-UHFFFAOYSA-N 0 0 334.464 2.514 40 0 EFABRN C[C@H](O)[C@@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)ncn2)C1 ZINC000334136619 476122390 /nfs/dbraw/zinc/12/23/90/476122390.db2.gz YWYNIQSPVMFKKC-QWHCGFSZSA-N 0 0 344.846 2.857 40 0 EFABRN O=c1[nH]c(N2CCN(c3cc(F)ccc3F)CC2)nc2ccccc12 ZINC000301529557 476169113 /nfs/dbraw/zinc/16/91/13/476169113.db2.gz HECQLOXTWXSJFF-UHFFFAOYSA-N 0 0 342.349 2.940 40 0 EFABRN CCCN(C(=O)c1cc2ccccc2c(=O)o1)[C@H](C)C(=O)OCC ZINC000336991840 476252298 /nfs/dbraw/zinc/25/22/98/476252298.db2.gz GSXJHHVUVHDQJP-GFCCVEGCSA-N 0 0 331.368 2.597 40 0 EFABRN Fc1ccc2ccc(NCc3cccnc3N3CCOCC3)nc2c1 ZINC000360227031 476295155 /nfs/dbraw/zinc/29/51/55/476295155.db2.gz ZYRXFUIKZQZWRK-UHFFFAOYSA-N 0 0 338.386 3.218 40 0 EFABRN Cn1cc(C[C@@H]2CCN(C(=O)N[C@H]3CCc4cc(F)ccc43)C2)cn1 ZINC000363352893 476662878 /nfs/dbraw/zinc/66/28/78/476662878.db2.gz OYJCHYZOBCMHDF-UGSOOPFHSA-N 0 0 342.418 2.821 40 0 EFABRN Cn1cc(C[C@H]2CCN(C(=O)N[C@H]3CCc4cc(F)ccc43)C2)cn1 ZINC000363352890 476663101 /nfs/dbraw/zinc/66/31/01/476663101.db2.gz OYJCHYZOBCMHDF-ACJLOTCBSA-N 0 0 342.418 2.821 40 0 EFABRN COc1ccc(Cl)cc1C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000390826401 476800575 /nfs/dbraw/zinc/80/05/75/476800575.db2.gz JZPYKXFUSRODLY-ZDUSSCGKSA-N 0 0 346.818 2.905 40 0 EFABRN O=C(c1ccc(=O)[nH]c1)N1CCC(Oc2ccncc2Cl)CC1 ZINC000390827899 476802097 /nfs/dbraw/zinc/80/20/97/476802097.db2.gz LTRGTKHMAVJNEK-UHFFFAOYSA-N 0 0 333.775 2.519 40 0 EFABRN O=C([C@@H]1CC=CCC1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 ZINC000390829262 476802412 /nfs/dbraw/zinc/80/24/12/476802412.db2.gz DFKCVNHYZGFXOK-QGZVFWFLSA-N 0 0 347.480 2.949 40 0 EFABRN O=C(c1cccs1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 ZINC000390830716 476803260 /nfs/dbraw/zinc/80/32/60/476803260.db2.gz MVKMIIMIYINHKD-OAHLLOKOSA-N 0 0 335.450 2.750 40 0 EFABRN O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000390834052 476804107 /nfs/dbraw/zinc/80/41/07/476804107.db2.gz QZKOONJAAYWTMP-UHFFFAOYSA-N 0 0 348.855 2.929 40 0 EFABRN CCc1nc(NC(=O)c2ccc(OC)c(OCCO)c2)sc1C ZINC000390833927 476804284 /nfs/dbraw/zinc/80/42/84/476804284.db2.gz OXYYEZUJDGYEDN-UHFFFAOYSA-N 0 0 336.413 2.646 40 0 EFABRN COC1(c2noc(-c3ccc(N4CCOCC4)c(F)c3)n2)CCC1 ZINC000390834155 476804476 /nfs/dbraw/zinc/80/44/76/476804476.db2.gz SXWHLUQBRKJELE-UHFFFAOYSA-N 0 0 333.363 2.738 40 0 EFABRN CC(C)Oc1c(F)cc(NC(=O)N[C@@H]2CCCCNC2=O)cc1F ZINC000390834134 476804928 /nfs/dbraw/zinc/80/49/28/476804928.db2.gz SPCPVNREZHGYGY-CYBMUJFWSA-N 0 0 341.358 2.542 40 0 EFABRN CC(C)Oc1c(F)cc(NC(=O)N[C@H]2CCCCNC2=O)cc1F ZINC000390834135 476805125 /nfs/dbraw/zinc/80/51/25/476805125.db2.gz SPCPVNREZHGYGY-ZDUSSCGKSA-N 0 0 341.358 2.542 40 0 EFABRN CC1([C@H]2CCCN(C(=O)Nc3cnc4c(c3)CCCC4)C2)OCCO1 ZINC000390834453 476805775 /nfs/dbraw/zinc/80/57/75/476805775.db2.gz ZCVRCTGBNKYLJX-HNNXBMFYSA-N 0 0 345.443 2.967 40 0 EFABRN CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2ccnn2C)c1 ZINC000390834463 476805961 /nfs/dbraw/zinc/80/59/61/476805961.db2.gz ZFYGTVVYCKWFSR-QGZVFWFLSA-N 0 0 347.440 2.539 40 0 EFABRN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)C1(NC(N)=O)CC1 ZINC000390834747 476806125 /nfs/dbraw/zinc/80/61/25/476806125.db2.gz WIIMZIBLXHDUCX-MRVPVSSYSA-N 0 0 342.226 2.640 40 0 EFABRN CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cs2)cc1 ZINC000390835053 476806619 /nfs/dbraw/zinc/80/66/19/476806619.db2.gz BSMBZHFIHRSLDB-UHFFFAOYSA-N 0 0 344.845 2.904 40 0 EFABRN O=C(Nc1ccc(Cl)cc1-c1ccccc1)N1C[C@@H](O)[C@@H](O)C1 ZINC000390835523 476806703 /nfs/dbraw/zinc/80/67/03/476806703.db2.gz PLEKWBBEYWZYQA-IYBDPMFKSA-N 0 0 332.787 2.576 40 0 EFABRN O=C(c1nccn1C[C@H](O)c1ccccc1Cl)c1ccncc1 ZINC000390834653 476806720 /nfs/dbraw/zinc/80/67/20/476806720.db2.gz LFDGDMNYIGONAZ-HNNXBMFYSA-N 0 0 327.771 2.896 40 0 EFABRN O=C(NCc1ccc(Br)o1)N[C@H]1CCCc2c[nH]nc21 ZINC000390835812 476807088 /nfs/dbraw/zinc/80/70/88/476807088.db2.gz YXHOFHRCFMPBDV-JTQLQIEISA-N 0 0 339.193 2.642 40 0 EFABRN Cc1ccc(-n2cnnc2)c(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000390835842 476808617 /nfs/dbraw/zinc/80/86/17/476808617.db2.gz ZQZBXPJZRVQYKA-MAUKXSAKSA-N 0 0 342.443 2.757 40 0 EFABRN CCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408552791 476966697 /nfs/dbraw/zinc/96/66/97/476966697.db2.gz NXLWMKIOFBIZCM-AWEZNQCLSA-N 0 0 348.468 2.813 40 0 EFABRN COc1ccc(OC)c(-c2ccc(OC(=O)c3ccco3)nn2)c1 ZINC000408535560 476967052 /nfs/dbraw/zinc/96/70/52/476967052.db2.gz ZPBPJJMNGCDMCT-UHFFFAOYSA-N 0 0 326.308 2.973 40 0 EFABRN Cc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CCCCCC1 ZINC000408556524 476967213 /nfs/dbraw/zinc/96/72/13/476967213.db2.gz JGEIOFUNGMQHPP-UHFFFAOYSA-N 0 0 338.473 2.698 40 0 EFABRN CCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408552792 476967378 /nfs/dbraw/zinc/96/73/78/476967378.db2.gz NXLWMKIOFBIZCM-CQSZACIVSA-N 0 0 348.468 2.813 40 0 EFABRN COCCNC(=S)Nc1ccc(Oc2cccc(OC)c2)nc1 ZINC000408585400 476967900 /nfs/dbraw/zinc/96/79/00/476967900.db2.gz GIDQLCDIOJUXJF-UHFFFAOYSA-N 0 0 333.413 2.815 40 0 EFABRN Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)C(N)=O)c2ccccc21 ZINC000408564779 476967909 /nfs/dbraw/zinc/96/79/09/476967909.db2.gz ACNZOFWJCMUXEJ-UHFFFAOYSA-N 0 0 349.390 2.565 40 0 EFABRN COc1cc(C=O)ccc1OCC(=O)Nc1cc(Cl)ccc1O ZINC000408600089 476968426 /nfs/dbraw/zinc/96/84/26/476968426.db2.gz UFGFZTYQEMABNX-UHFFFAOYSA-N 0 0 335.743 2.884 40 0 EFABRN CCOC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000408560610 476968645 /nfs/dbraw/zinc/96/86/45/476968645.db2.gz ZYPOLEFFWVNOFD-MRVPVSSYSA-N 0 0 340.228 2.711 40 0 EFABRN CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)N(CC)CC)cc1 ZINC000408607200 476969483 /nfs/dbraw/zinc/96/94/83/476969483.db2.gz JTUYIDRZESLGMN-MRXNPFEDSA-N 0 0 347.484 2.747 40 0 EFABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000408705639 476970439 /nfs/dbraw/zinc/97/04/39/476970439.db2.gz KHHHHZVKGJAFMA-MRXNPFEDSA-N 0 0 343.379 2.898 40 0 EFABRN CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000408707277 476970775 /nfs/dbraw/zinc/97/07/75/476970775.db2.gz IVFPPWOTDVPBMH-LJQANCHMSA-N 0 0 336.435 2.914 40 0 EFABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCCO)cc1 ZINC000408676966 476971207 /nfs/dbraw/zinc/97/12/07/476971207.db2.gz PCPKKILHPBFKPL-UHFFFAOYSA-N 0 0 336.391 2.596 40 0 EFABRN CCOCc1nn(CC(F)(F)F)cc1I ZINC000408717304 476971881 /nfs/dbraw/zinc/97/18/81/476971881.db2.gz YDOANHLFCAIZGV-UHFFFAOYSA-N 0 0 334.079 2.587 40 0 EFABRN CCOC(=O)c1cn(CCC(C)C)nc1I ZINC000408717804 476972072 /nfs/dbraw/zinc/97/20/72/476972072.db2.gz UWXXKXDAAXXNFS-UHFFFAOYSA-N 0 0 336.173 2.711 40 0 EFABRN COCc1nn(CCC(F)(F)F)cc1I ZINC000408716584 476972086 /nfs/dbraw/zinc/97/20/86/476972086.db2.gz OMOXBWPYAKCJTO-UHFFFAOYSA-N 0 0 334.079 2.587 40 0 EFABRN CCn1cc(I)c(COCC(F)(F)F)n1 ZINC000408716494 476972322 /nfs/dbraw/zinc/97/23/22/476972322.db2.gz NPQZAHYTYUXHLR-UHFFFAOYSA-N 0 0 334.079 2.587 40 0 EFABRN Cc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000409022464 476976421 /nfs/dbraw/zinc/97/64/21/476976421.db2.gz OZHRWOHRENGFOF-GZTJUZNOSA-N 0 0 349.390 2.835 40 0 EFABRN CCNC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1 ZINC000409028350 476976970 /nfs/dbraw/zinc/97/69/70/476976970.db2.gz LPAQYSCMTLISPH-UHFFFAOYSA-N 0 0 346.452 2.580 40 0 EFABRN CCNC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000409023698 476977242 /nfs/dbraw/zinc/97/72/42/476977242.db2.gz CEVRHUXVIRXXPP-UHFFFAOYSA-N 0 0 346.452 2.711 40 0 EFABRN CCOC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000409110477 476978674 /nfs/dbraw/zinc/97/86/74/476978674.db2.gz CKGNCMSZMFCDHV-UHFFFAOYSA-N 0 0 349.408 2.738 40 0 EFABRN COC(=O)c1cccc(-c2ccc(/C=C3/NC(=O)N(C)C3=O)o2)c1C ZINC000409195763 476979757 /nfs/dbraw/zinc/97/97/57/476979757.db2.gz VXDRTJACKDFXMG-NTEUORMPSA-N 0 0 340.335 2.564 40 0 EFABRN COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1O ZINC000409222042 476979877 /nfs/dbraw/zinc/97/98/77/476979877.db2.gz BKIZRXJMFRZGOP-OQLLNIDSSA-N 0 0 338.363 2.802 40 0 EFABRN CCOC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000409207428 476980021 /nfs/dbraw/zinc/98/00/21/476980021.db2.gz WRSSEWWJKWKMHN-UHFFFAOYSA-N 0 0 337.759 2.805 40 0 EFABRN CCCCOc1ccc(NC(=O)C(=O)NCCCOC(C)C)cc1 ZINC000409140956 476980074 /nfs/dbraw/zinc/98/00/74/476980074.db2.gz FXRSAEARJJRGGT-UHFFFAOYSA-N 0 0 336.432 2.735 40 0 EFABRN CN1C(=O)N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O ZINC000409188832 476980082 /nfs/dbraw/zinc/98/00/82/476980082.db2.gz GRDPRKUBLPDTIB-MHWRWJLKSA-N 0 0 326.327 2.927 40 0 EFABRN COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1 ZINC000409196210 476980272 /nfs/dbraw/zinc/98/02/72/476980272.db2.gz NXTFVTXBNNBCRZ-LICLKQGHSA-N 0 0 338.363 2.797 40 0 EFABRN COc1cccc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c1O ZINC000409228227 476981286 /nfs/dbraw/zinc/98/12/86/476981286.db2.gz WDURAZGPQCRTAR-GDNBJRDFSA-N 0 0 338.363 2.802 40 0 EFABRN CCOc1cccc(/C=C2/SC(=O)N(CCCOC)C2=O)c1O ZINC000409237284 476981314 /nfs/dbraw/zinc/98/13/14/476981314.db2.gz HTDPPGSAWIFXHB-JLHYYAGUSA-N 0 0 337.397 2.864 40 0 EFABRN NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000409393012 476982864 /nfs/dbraw/zinc/98/28/64/476982864.db2.gz UXDGSLSWWLCGFV-UHFFFAOYSA-N 0 0 325.777 2.631 40 0 EFABRN O=C(COC[C@@H]1CCCO1)N[C@@H]1[C@@H]2CCC[C@H]2[C@H]1c1ccccc1 ZINC000409412849 476983705 /nfs/dbraw/zinc/98/37/05/476983705.db2.gz SGSJBJXVQUMSEA-AZNNDXHDSA-N 0 0 329.440 2.881 40 0 EFABRN CCC[C@H](C)NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000409410438 476984291 /nfs/dbraw/zinc/98/42/91/476984291.db2.gz MXKADWQHFAIOKB-GJZGRUSLSA-N 0 0 340.489 2.763 40 0 EFABRN CCC[C@H](C)NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409410645 476984407 /nfs/dbraw/zinc/98/44/07/476984407.db2.gz ZBVIECAVWPSLEW-RYUDHWBXSA-N 0 0 346.880 2.799 40 0 EFABRN O=C(N1CCN(c2ccc(F)cn2)CC1)C1(C(F)(F)F)CCC1 ZINC000450409069 477593015 /nfs/dbraw/zinc/59/30/15/477593015.db2.gz WWRUJFPZVHXZBN-UHFFFAOYSA-N 0 0 331.313 2.602 40 0 EFABRN CC(C)(C)c1nc2cc(NC(=O)N[C@@H]3CCC[C@@H]3C(N)=O)ccc2o1 ZINC000421051196 477935018 /nfs/dbraw/zinc/93/50/18/477935018.db2.gz CGSONYRPUWOWFU-NWDGAFQWSA-N 0 0 344.415 2.901 40 0 EFABRN Cc1cccc(C2(NC(=O)N[C@H](C)c3nncn3C)CCCC2)c1 ZINC000590844562 478366448 /nfs/dbraw/zinc/36/64/48/478366448.db2.gz BBBYZJSETWJRBS-CQSZACIVSA-N 0 0 327.432 2.953 40 0 EFABRN COC(=O)[C@@H]1CCc2nnc(-c3ccc(Br)s3)n2C1 ZINC000601044148 478628872 /nfs/dbraw/zinc/62/88/72/478628872.db2.gz HVSKEHDHZPKTKG-SSDOTTSWSA-N 0 0 342.218 2.505 40 0 EFABRN COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C1 ZINC000601044756 478630619 /nfs/dbraw/zinc/63/06/19/478630619.db2.gz QANJWAZXPZQMQW-GHMZBOCLSA-N 0 0 335.791 2.807 40 0 EFABRN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CCc3ccccc3C2)c1 ZINC000572728642 478906750 /nfs/dbraw/zinc/90/67/50/478906750.db2.gz ZKFCMPZNQBAEFX-SFHVURJKSA-N 0 0 327.380 2.888 40 0 EFABRN CS(=O)(=O)c1ccc(NCc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000583656883 478907522 /nfs/dbraw/zinc/90/75/22/478907522.db2.gz PZWGYNSKSOUZAC-UHFFFAOYSA-N 0 0 346.387 2.626 40 0 EFABRN Cc1nc(-c2ccc(NC3CCN(c4cnccn4)CC3)cc2)n[nH]1 ZINC000545899023 478968578 /nfs/dbraw/zinc/96/85/78/478968578.db2.gz LOHUBHDHLJKQPA-UHFFFAOYSA-N 0 0 335.415 2.651 40 0 EFABRN COc1ccc2[nH]c(C[C@H]3C[N@@H+](C(C)C)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288879 479020554 /nfs/dbraw/zinc/02/05/54/479020554.db2.gz KZYOLJGTALSQES-KBPBESRZSA-N 0 0 345.443 2.935 40 0 biogenic,in-vitro EFABRN COCC[C@@H]1Cn2cccc2CN(C(=O)c2cc(C3CC3)on2)C1 ZINC000585095253 479279442 /nfs/dbraw/zinc/27/94/42/479279442.db2.gz JZWLHIPJBISDMP-CYBMUJFWSA-N 0 0 329.400 2.662 40 0 EFABRN COc1cc(N2Cc3cccn3C[C@H](CCOCC3CC3)C2)ncn1 ZINC000585095416 479279523 /nfs/dbraw/zinc/27/95/23/479279523.db2.gz QIXIHNZKUUSFNK-INIZCTEOSA-N 0 0 342.443 2.740 40 0 EFABRN COCC[C@@H]1Cn2cccc2CN(C(=O)Cc2cccc(OC)c2)C1 ZINC000585095584 479279786 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217118569 /nfs/dbraw/zinc/11/85/69/217118569.db2.gz WFAZXBOQNQAZGM-CYBMUJFWSA-N 0 0 335.371 2.740 40 0 EFABRN COc1ccc(-c2noc(CCS(=O)(=O)C3CCCC3)n2)cc1 ZINC000078774127 217118818 /nfs/dbraw/zinc/11/88/18/217118818.db2.gz FDMMZXYHFOOTSF-UHFFFAOYSA-N 0 0 336.413 2.645 40 0 EFABRN COc1ccc(Cc2noc(CCNC(=O)c3ccsc3)n2)cc1 ZINC000078774434 217118972 /nfs/dbraw/zinc/11/89/72/217118972.db2.gz QBFAWGUXQOYHSV-UHFFFAOYSA-N 0 0 343.408 2.703 40 0 EFABRN C[C@]1(C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1(Cl)Cl ZINC000078797762 217124018 /nfs/dbraw/zinc/12/40/18/217124018.db2.gz HMDKYSQDACIHBH-OAHLLOKOSA-N 0 0 347.286 2.821 40 0 EFABRN COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000078878621 217136299 /nfs/dbraw/zinc/13/62/99/217136299.db2.gz INESNLOIFSDZNA-CABCVRRESA-N 0 0 343.379 2.787 40 0 EFABRN COCCOc1ccc(C(=O)Nc2cccc(-n3cnnc3)c2)cc1 ZINC000078875836 217136345 /nfs/dbraw/zinc/13/63/45/217136345.db2.gz FKQZTPMHLMCWMD-UHFFFAOYSA-N 0 0 338.367 2.545 40 0 EFABRN O=C(CCc1ccccn1)N[C@H]1CCN(c2ccccc2Cl)C1=O 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217148812 /nfs/dbraw/zinc/14/88/12/217148812.db2.gz ZFDQDECBVBEGPH-IIAWOOMASA-N 0 0 345.447 2.635 40 0 EFABRN O=C(CN[C@@H](c1ccccc1)c1ccc(F)cc1)NC1CCOCC1 ZINC000078922934 217148956 /nfs/dbraw/zinc/14/89/56/217148956.db2.gz QKCHEOQRNWTSJI-FQEVSTJZSA-N 0 0 342.414 2.800 40 0 EFABRN C[C@H](Cc1ccccc1F)NC(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000078925135 217149298 /nfs/dbraw/zinc/14/92/98/217149298.db2.gz IFGPTERKQDNWBU-GDBMZVCRSA-N 0 0 347.434 2.553 40 0 EFABRN Cc1nc(CN2CCC(CNC(=O)c3ccccc3O)CC2)cs1 ZINC000078930218 217150160 /nfs/dbraw/zinc/15/01/60/217150160.db2.gz RUJUKPSLAKYNKY-UHFFFAOYSA-N 0 0 345.468 2.799 40 0 EFABRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000078929080 217150272 /nfs/dbraw/zinc/15/02/72/217150272.db2.gz STTWOXSGUVHBHB-CXAGYDPISA-N 0 0 344.455 2.971 40 0 EFABRN O=C(OCCn1cncn1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078930738 217150389 /nfs/dbraw/zinc/15/03/89/217150389.db2.gz ILMXDUFHBIUUGW-CHWSQXEVSA-N 0 0 325.290 2.644 40 0 EFABRN 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ZINC000079092287 217190677 /nfs/dbraw/zinc/19/06/77/217190677.db2.gz ROVLKMSJDBCXAU-UHFFFAOYSA-N 0 0 344.392 2.734 40 0 EFABRN O=C(COC[C@@H]1CCCO1)Nc1cc(F)ccc1N1CCCCC1 ZINC000079092848 217190712 /nfs/dbraw/zinc/19/07/12/217190712.db2.gz RGYSURTWLIHXDW-HNNXBMFYSA-N 0 0 336.407 2.950 40 0 EFABRN COC(=O)CCc1nc(CN2CCC[C@](C)(c3ccccc3)C2)no1 ZINC000079097527 217191461 /nfs/dbraw/zinc/19/14/61/217191461.db2.gz YBLLXFNATCLWBI-IBGZPJMESA-N 0 0 343.427 2.729 40 0 EFABRN Cc1ccc(-n2nnnc2-c2c[nH]c(=O)nc2-c2ccc(F)cc2)cc1 ZINC000016311466 211894765 /nfs/dbraw/zinc/89/47/65/211894765.db2.gz SWVNINPXXSSJTR-UHFFFAOYSA-N 0 0 348.341 2.527 40 0 EFABRN C[C@H](c1nc(-c2cccnc2)no1)N(CCO)Cc1ccsc1 ZINC000079099905 217193543 /nfs/dbraw/zinc/19/35/43/217193543.db2.gz BSNNFTAOGWXLBF-GFCCVEGCSA-N 0 0 330.413 2.749 40 0 EFABRN COc1ccc2[nH]cc(CCNC(=O)NCC[C@H]3CCCO3)c2c1 ZINC000079098427 217193632 /nfs/dbraw/zinc/19/36/32/217193632.db2.gz PNILACNQBFDUIY-CQSZACIVSA-N 0 0 331.416 2.587 40 0 EFABRN COc1cccc(C[C@@H](C)NC(=O)CNc2ccccc2OC)c1 ZINC000079050023 217182359 /nfs/dbraw/zinc/18/23/59/217182359.db2.gz XMPFYBXXOOFFJT-CQSZACIVSA-N 0 0 328.412 2.863 40 0 EFABRN CCc1cc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)ncn1 ZINC000079052599 217182982 /nfs/dbraw/zinc/18/29/82/217182982.db2.gz SYPYPVVGYDDKFA-UHFFFAOYSA-N 0 0 348.472 2.728 40 0 EFABRN CC(C)Sc1ccc(NCCNC(=O)c2ccccc2F)nn1 ZINC000079052508 217183299 /nfs/dbraw/zinc/18/32/99/217183299.db2.gz DLWVJWHMFILSSE-UHFFFAOYSA-N 0 0 334.420 2.958 40 0 EFABRN CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000079051968 217183548 /nfs/dbraw/zinc/18/35/48/217183548.db2.gz GYHIHEJUIJVHEI-UHFFFAOYSA-N 0 0 338.256 2.937 40 0 EFABRN O=C(NCc1ccco1)c1nnc(Cc2c(F)cccc2Cl)o1 ZINC000016383800 211900212 /nfs/dbraw/zinc/90/02/12/211900212.db2.gz IFDDLPORFVYJOV-UHFFFAOYSA-N 0 0 335.722 2.976 40 0 EFABRN O=C(OCc1cc(F)cc2c1OCOC2)c1n[nH]c2ccccc21 ZINC000016218557 211889286 /nfs/dbraw/zinc/88/92/86/211889286.db2.gz BOWUNLMRJNLTFM-UHFFFAOYSA-N 0 0 328.299 2.926 40 0 EFABRN CC(=O)c1cccc(O[C@H](C)C(=O)NCCCn2nc(C)cc2C)c1 ZINC000079297803 217204204 /nfs/dbraw/zinc/20/42/04/217204204.db2.gz KCHPNSQMFQRWIF-MRXNPFEDSA-N 0 0 343.427 2.676 40 0 EFABRN O=C(Nc1ccccc1)c1ccc(NCc2ccccc2CO)nn1 ZINC000079309129 217205530 /nfs/dbraw/zinc/20/55/30/217205530.db2.gz BUWNLPQPMKMORZ-UHFFFAOYSA-N 0 0 334.379 2.833 40 0 EFABRN CCn1nc(C)cc1C(=O)Nc1ccc(OCc2nnc(C)o2)cc1 ZINC000079308213 217206077 /nfs/dbraw/zinc/20/60/77/217206077.db2.gz OUVVGPOUKDYRES-UHFFFAOYSA-N 0 0 341.371 2.734 40 0 EFABRN CCOC[C@H]1CCCN(C(=O)NCCCn2cnc3ccccc32)C1 ZINC000079305982 217206273 /nfs/dbraw/zinc/20/62/73/217206273.db2.gz KGOSMYUHLVKQCT-INIZCTEOSA-N 0 0 344.459 2.885 40 0 EFABRN O=C(CCn1cncn1)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000079305611 217206522 /nfs/dbraw/zinc/20/65/22/217206522.db2.gz TUKWAEUEVOKYLQ-UHFFFAOYSA-N 0 0 327.413 2.795 40 0 EFABRN CC(C)c1ocnc1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000079310044 217207174 /nfs/dbraw/zinc/20/71/74/217207174.db2.gz DCQPYKVEVWWUGE-CQSZACIVSA-N 0 0 327.384 2.723 40 0 EFABRN CO[C@H](C(=O)N(C[C@H]1CCCO1)c1ccncc1)c1ccccc1 ZINC000079310409 217207241 /nfs/dbraw/zinc/20/72/41/217207241.db2.gz RUJKYCJCXVNHCL-MSOLQXFVSA-N 0 0 326.396 2.981 40 0 EFABRN COc1cc(F)c([C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1OC ZINC000079311871 217207303 /nfs/dbraw/zinc/20/73/03/217207303.db2.gz ZPTRMFSATRSJMS-GTNSWQLSSA-N 0 0 332.375 2.720 40 0 EFABRN O=C(Cc1cc(Cl)ccc1Cl)NCCc1nnc2ccccn21 ZINC000079330209 217209972 /nfs/dbraw/zinc/20/99/72/217209972.db2.gz BUHSICZGOXKXLD-UHFFFAOYSA-N 0 0 349.221 2.938 40 0 EFABRN CCN(Cc1c(F)cccc1F)C(=O)c1cnc2ccccn2c1=O ZINC000079336553 217210980 /nfs/dbraw/zinc/21/09/80/217210980.db2.gz SZERRPMUXSXDFH-UHFFFAOYSA-N 0 0 343.333 2.635 40 0 EFABRN C[C@@]1(C(=O)NCc2cccnc2-n2cncn2)CCCc2ccccc21 ZINC000079338338 217211132 /nfs/dbraw/zinc/21/11/32/217211132.db2.gz KXKIILFGOXPSHL-HXUWFJFHSA-N 0 0 347.422 2.573 40 0 EFABRN C[C@H](NC(=O)NC[C@](C)(O)c1ccc(F)cc1F)c1nccs1 ZINC000079349557 217212054 /nfs/dbraw/zinc/21/20/54/217212054.db2.gz QSMSCAQXKKIPJU-VFZGTOFNSA-N 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CC[C@H](CO)NC(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000096008736 473253851 /nfs/dbraw/zinc/25/38/51/473253851.db2.gz GEZOETYQUXCFDX-LLVKDONJSA-N 0 0 342.321 2.784 40 0 EFABRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1Cc2ccccc2C1 ZINC000096024369 473256847 /nfs/dbraw/zinc/25/68/47/473256847.db2.gz NRDSZXCULMKMIF-INIZCTEOSA-N 0 0 332.444 2.819 40 0 EFABRN O=C([C@@H]1CCCOC1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000171027715 473257149 /nfs/dbraw/zinc/25/71/49/473257149.db2.gz NSZHQAHFXYZODO-MRXNPFEDSA-N 0 0 336.863 2.801 40 0 EFABRN CO[C@H](C(=O)NC[C@@H](O)c1ccc(Cl)s1)c1ccccc1 ZINC000096441144 473420631 /nfs/dbraw/zinc/42/06/31/473420631.db2.gz XUAKORHDBISOQG-RISCZKNCSA-N 0 0 325.817 2.939 40 0 EFABRN COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc3ncccc3c1)C2 ZINC000096039089 473258997 /nfs/dbraw/zinc/25/89/97/473258997.db2.gz BHBJSNHHZVGFFN-UYAOXDASSA-N 0 0 340.423 2.893 40 0 EFABRN CCn1nc(C)cc1C(=O)N1CC[C@@H]2OCCC[C@@]2(COC(C)C)C1 ZINC000096040573 473260954 /nfs/dbraw/zinc/26/09/54/473260954.db2.gz 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OBAPHMDIRYGCTA-OAHLLOKOSA-N 0 0 345.468 2.577 40 0 EFABRN O=C([C@@H]1CC=CCC1)N1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096045989 473267012 /nfs/dbraw/zinc/26/70/12/473267012.db2.gz JHKHFWAVWYRTDF-FXUDXRNXSA-N 0 0 343.427 2.982 40 0 EFABRN O=C(C1CCOCC1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC000096045858 473267120 /nfs/dbraw/zinc/26/71/20/473267120.db2.gz JZWDKTNXUQUNMW-CWRNSKLLSA-N 0 0 348.468 2.736 40 0 EFABRN C(OC[C@H]1c2nnn(CC3CC3)c2CCN1CC1CCC1)C1CC1 ZINC000096045408 473267349 /nfs/dbraw/zinc/26/73/49/473267349.db2.gz ZQWYACGJSHMQFD-SFHVURJKSA-N 0 0 330.476 2.814 40 0 EFABRN CCn1nc(C)cc1C(=O)N1C[C@@H]2C[C@@H](c3nc(C)cs3)O[C@@H]2C1 ZINC000096045844 473267510 /nfs/dbraw/zinc/26/75/10/473267510.db2.gz JSBHRAWQBAOXPR-AEGPPILISA-N 0 0 346.456 2.579 40 0 EFABRN Cc1noc(C)c1CN1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045818 473267660 /nfs/dbraw/zinc/26/76/60/473267660.db2.gz SODMTUXQXKCLSO-AEGPPILISA-N 0 0 330.388 2.514 40 0 EFABRN c1ccc(CO[C@@H]2COC3(C2)CCN(c2ncccn2)CC3)cc1 ZINC000096047867 473268959 /nfs/dbraw/zinc/26/89/59/473268959.db2.gz SPPHXNJNGZVMJH-KRWDZBQOSA-N 0 0 325.412 2.821 40 0 EFABRN CC(C)Oc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)c(Cl)c1 ZINC000190430666 473270968 /nfs/dbraw/zinc/27/09/68/473270968.db2.gz TYBKVNOGVJWCMD-LLVKDONJSA-N 0 0 349.822 2.855 40 0 EFABRN Cc1ccc(C(=O)N2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)o1 ZINC000096048275 473271069 /nfs/dbraw/zinc/27/10/69/473271069.db2.gz ZEJZKDJPSDUGBS-QFBILLFUSA-N 0 0 342.395 2.826 40 0 EFABRN CC(C)Oc1ccc(NC(=O)N[C@H]2CCc3ncnn3C2)c(Cl)c1 ZINC000190430683 473271642 /nfs/dbraw/zinc/27/16/42/473271642.db2.gz TYBKVNOGVJWCMD-NSHDSACASA-N 0 0 349.822 2.855 40 0 EFABRN O=C(NCc1nccn1CCCc1ccccc1)c1cscn1 ZINC000081932776 473273321 /nfs/dbraw/zinc/27/33/21/473273321.db2.gz CGWZAUHPGYDGHY-UHFFFAOYSA-N 0 0 326.425 2.902 40 0 EFABRN c1csc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC000096055433 473277656 /nfs/dbraw/zinc/27/76/56/473277656.db2.gz RZDPMLUBKOWUNW-RRFJBIMHSA-N 0 0 331.441 2.597 40 0 EFABRN c1ccc(OC[C@@H]2C[C@H]3OCCN(Cc4ccncc4)[C@@H]3C2)nc1 ZINC000096055451 473277707 /nfs/dbraw/zinc/27/77/07/473277707.db2.gz OYUIADDKLBWBPC-RCCFBDPRSA-N 0 0 325.412 2.535 40 0 EFABRN Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096054358 473277955 /nfs/dbraw/zinc/27/79/55/473277955.db2.gz AWGUAPBQQJNINA-MOPGFXCFSA-N 0 0 345.418 2.516 40 0 EFABRN c1ccc(OC[C@@H]2C[C@H]3OCCN(Cc4ccncc4)[C@H]3C2)nc1 ZINC000096055453 473278508 /nfs/dbraw/zinc/27/85/08/473278508.db2.gz OYUIADDKLBWBPC-OKZBNKHCSA-N 0 0 325.412 2.535 40 0 EFABRN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)cs1 ZINC000096055643 473278952 /nfs/dbraw/zinc/27/89/52/473278952.db2.gz WMRDVPXJMGJHFI-UONOGXRCSA-N 0 0 347.465 2.529 40 0 EFABRN Fc1ccc(CN2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC000096055278 473278966 /nfs/dbraw/zinc/27/89/66/473278966.db2.gz AOOYDEYZRXJGSY-RYQLBKOJSA-N 0 0 343.402 2.674 40 0 EFABRN O=C(c1ccncc1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 ZINC000096057014 473280638 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COCCN(Cc1ccccn1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000096441062 473420604 /nfs/dbraw/zinc/42/06/04/473420604.db2.gz BBMAFYZUMANBIC-CTNGQTDRSA-N 0 0 336.435 2.961 40 0 EFABRN CN1C(=O)COc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)cc21 ZINC000096441299 473420660 /nfs/dbraw/zinc/42/06/60/473420660.db2.gz VPMPJLHCJJBOMO-HUUCEWRRSA-N 0 0 340.354 2.923 40 0 EFABRN CN(Cc1nccn1Cc1ccccc1)[C@@H](C(N)=O)c1ccccc1 ZINC000096443511 473420770 /nfs/dbraw/zinc/42/07/70/473420770.db2.gz VNYNERWOGCAMIF-LJQANCHMSA-N 0 0 334.423 2.590 40 0 EFABRN COCc1nc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)cs1 ZINC000096442382 473420891 /nfs/dbraw/zinc/42/08/91/473420891.db2.gz NLEOWMPIGYINSZ-ZDUSSCGKSA-N 0 0 332.425 2.973 40 0 EFABRN CC(=O)Nc1cccc(NC(=O)CNC(C)(C)c2nc(C)cs2)c1 ZINC000096443389 473420945 /nfs/dbraw/zinc/42/09/45/473420945.db2.gz HKOYWNGGNDTUEU-UHFFFAOYSA-N 0 0 346.456 2.873 40 0 EFABRN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cn2ccccc2n1 ZINC000096442605 473421162 /nfs/dbraw/zinc/42/11/62/473421162.db2.gz 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C[C@H](CNC(=O)N(C)Cc1cc2ccccc2o1)CN1CCOCC1 ZINC000096446145 473424195 /nfs/dbraw/zinc/42/41/95/473424195.db2.gz ILBMZJIHVCMMJS-OAHLLOKOSA-N 0 0 345.443 2.543 40 0 EFABRN O=C(NC[C@]1(O)CCSC1)Nc1cc(-n2cccc2)ccc1F ZINC000096447157 473424522 /nfs/dbraw/zinc/42/45/22/473424522.db2.gz REXXRTHLGIPNEM-MRXNPFEDSA-N 0 0 335.404 2.606 40 0 EFABRN Cc1nc(-c2cccc(C(=O)N[C@H]3COc4ccccc4C3)c2)n[nH]1 ZINC000096446770 473424743 /nfs/dbraw/zinc/42/47/43/473424743.db2.gz DEKCVCLDSVDSEE-MRXNPFEDSA-N 0 0 334.379 2.514 40 0 EFABRN O=C(NCC1CCC2(CC1)OCCO2)c1c(F)cc(F)cc1F ZINC000096446875 473425025 /nfs/dbraw/zinc/42/50/25/473425025.db2.gz UKFDXSTZGDKVFP-UHFFFAOYSA-N 0 0 329.318 2.767 40 0 EFABRN CC(C)NC(=O)CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096447111 473425194 /nfs/dbraw/zinc/42/51/94/473425194.db2.gz OUENPGWIWNVIHI-CQSZACIVSA-N 0 0 330.350 2.603 40 0 EFABRN O=C(NC[C@@H]1CCCCN1C(=O)Nc1cccnc1)c1ccccc1 ZINC000096446917 473425255 /nfs/dbraw/zinc/42/52/55/473425255.db2.gz QRARJKPSIGWLNG-KRWDZBQOSA-N 0 0 338.411 2.898 40 0 EFABRN Cc1nnc(-c2ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc2)o1 ZINC000096447271 473425437 /nfs/dbraw/zinc/42/54/37/473425437.db2.gz CJFWEWBATGROLX-NSHDSACASA-N 0 0 332.404 2.964 40 0 EFABRN O=C(Cc1noc(C2(c3ccccc3F)CC2)n1)NC1CCCC1 ZINC000096449325 473425980 /nfs/dbraw/zinc/42/59/80/473425980.db2.gz PEERLMSRVITDCX-UHFFFAOYSA-N 0 0 329.375 2.890 40 0 EFABRN NC(=O)CCn1c(S[C@H]2CCc3c2cccc3F)nnc1C1CC1 ZINC000096447689 473426067 /nfs/dbraw/zinc/42/60/67/473426067.db2.gz QOPVDVWWDFKEHN-AWEZNQCLSA-N 0 0 346.431 2.950 40 0 EFABRN CCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000113944636 473426156 /nfs/dbraw/zinc/42/61/56/473426156.db2.gz LBGHNPUDILWKGQ-UHFFFAOYSA-N 0 0 346.452 2.711 40 0 EFABRN O=C(C[C@H]1CCOC1)N1CC(OCc2cccc3ccccc32)C1 ZINC000096449941 473427083 /nfs/dbraw/zinc/42/70/83/473427083.db2.gz CHERQBJJKQIHEC-OAHLLOKOSA-N 0 0 325.408 2.994 40 0 EFABRN CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000096450553 473427214 /nfs/dbraw/zinc/42/72/14/473427214.db2.gz 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/nfs/dbraw/zinc/42/97/09/473429709.db2.gz WVXUOGUXHFSLNP-BXKDBHETSA-N 0 0 330.197 2.869 40 0 EFABRN O=C(NC[C@@H]1CCCC[C@@H]1O)c1c(F)cccc1Br ZINC000096454378 473429728 /nfs/dbraw/zinc/42/97/28/473429728.db2.gz WVXUOGUXHFSLNP-CABZTGNLSA-N 0 0 330.197 2.869 40 0 EFABRN O=C(CCC(=O)c1ccccc1)NC1(C(=O)NCC2CC2)CCCC1 ZINC000096454619 473429994 /nfs/dbraw/zinc/42/99/94/473429994.db2.gz PBWQNLAFOUWOBZ-UHFFFAOYSA-N 0 0 342.439 2.605 40 0 EFABRN O=C(c1cccc(NCCOc2ccccc2)c1)N1CCC[C@H](O)C1 ZINC000096453497 473430051 /nfs/dbraw/zinc/43/00/51/473430051.db2.gz KMCPTOAVOGWYMB-SFHVURJKSA-N 0 0 340.423 2.774 40 0 EFABRN CN(C(=O)c1cccn1C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000096454632 473430103 /nfs/dbraw/zinc/43/01/03/473430103.db2.gz HZEYDWBZZGRSCB-UHFFFAOYSA-N 0 0 335.448 2.933 40 0 EFABRN COc1ccc(/C(C)=C/C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000096454119 473430259 /nfs/dbraw/zinc/43/02/59/473430259.db2.gz BOERITOMRXEEQG-RVDMUPIBSA-N 0 0 348.406 2.996 40 0 EFABRN COC[C@@H]1CN(C(=O)N[C@@H](c2cccc(F)c2)C(C)(C)C)CCO1 ZINC000096455235 473430593 /nfs/dbraw/zinc/43/05/93/473430593.db2.gz LLFHYGFRWFAHGA-HOTGVXAUSA-N 0 0 338.423 2.970 40 0 EFABRN O=C(COCC1CC1)Nc1ccc(F)cc1I ZINC000096455953 473430939 /nfs/dbraw/zinc/43/09/39/473430939.db2.gz DIXBPIKKSKORDP-UHFFFAOYSA-N 0 0 349.143 2.795 40 0 EFABRN C[C@@H](NC(=O)NC[C@H]1SCCc2ccccc21)c1cnn(C)c1 ZINC000096455106 473431059 /nfs/dbraw/zinc/43/10/59/473431059.db2.gz YLESXCIIKIOEGN-MLGOLLRUSA-N 0 0 330.457 2.811 40 0 EFABRN Fc1cc2cccnc2c(CSc2nnc(Cn3cncn3)o2)c1 ZINC000096455689 473431126 /nfs/dbraw/zinc/43/11/26/473431126.db2.gz APYOESRGHJVPMK-UHFFFAOYSA-N 0 0 342.359 2.689 40 0 EFABRN CCc1oc(C(=O)OC)cc1Cn1cc(Br)ccc1=O ZINC000096455504 473431465 /nfs/dbraw/zinc/43/14/65/473431465.db2.gz LUMXRQOZYRTWAM-UHFFFAOYSA-N 0 0 340.173 2.601 40 0 EFABRN COC[C@H]1CN(C(=O)N[C@H](c2cccc(F)c2)C(C)(C)C)CCO1 ZINC000096455236 473431670 /nfs/dbraw/zinc/43/16/70/473431670.db2.gz LLFHYGFRWFAHGA-HZPDHXFCSA-N 0 0 338.423 2.970 40 0 EFABRN CN(CCNC(=O)c1occc1Br)C(=O)OC(C)(C)C ZINC000096459218 473432688 /nfs/dbraw/zinc/43/26/88/473432688.db2.gz VUYAOKUIOYTBQD-UHFFFAOYSA-N 0 0 347.209 2.639 40 0 EFABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cc2ccccc2o1 ZINC000096461514 473433503 /nfs/dbraw/zinc/43/35/03/473433503.db2.gz CVBNVGDMZBFGRA-CQSZACIVSA-N 0 0 339.399 2.921 40 0 EFABRN Cc1noc(C)c1CCCNC(=O)NCCc1ccc2c(c1)CCO2 ZINC000096461014 473433674 /nfs/dbraw/zinc/43/36/74/473433674.db2.gz AOZFRSBIXCHCRE-UHFFFAOYSA-N 0 0 343.427 2.701 40 0 EFABRN O=C(NCCc1nnc2n1CCC2)N(Cc1ccco1)C1CCCC1 ZINC000096461474 473433791 /nfs/dbraw/zinc/43/37/91/473433791.db2.gz PTKIYBYBSRFXIW-UHFFFAOYSA-N 0 0 343.431 2.514 40 0 EFABRN Cn1cccc1-c1csc(NC(=O)[C@H]2CCCc3n[nH]cc32)n1 ZINC000096466360 473434495 /nfs/dbraw/zinc/43/44/95/473434495.db2.gz LOKRITBELQLKTD-JTQLQIEISA-N 0 0 327.413 2.930 40 0 EFABRN Cc1ccc(N2CCC(NC(=O)NC[C@@]3(C)CCCS3)CC2)nc1 ZINC000096467197 473434528 /nfs/dbraw/zinc/43/45/28/473434528.db2.gz IPCSTTOWZJXUBG-GOSISDBHSA-N 0 0 348.516 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COc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1C[C@@H]1C)CC2 ZINC000585111334 479287643 /nfs/dbraw/zinc/28/76/43/479287643.db2.gz OXXRVBYWUGMERW-DZGCQCFKSA-N 0 0 325.412 2.599 40 0 EFABRN O=C1CCCN1CC[C@@H]1CN(Cc2cccc(F)c2)Cc2ccnn21 ZINC000585111788 479288002 /nfs/dbraw/zinc/28/80/02/479288002.db2.gz BVEHLPOPTSHDLB-GOSISDBHSA-N 0 0 342.418 2.592 40 0 EFABRN c1cc2n(n1)[C@@H](COc1ccccn1)CN(Cc1ccsc1)C2 ZINC000585112360 479288470 /nfs/dbraw/zinc/28/84/70/479288470.db2.gz OUUWQJAOPLVXTA-MRXNPFEDSA-N 0 0 326.425 2.976 40 0 EFABRN O=C(NCC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21)C1CCC1 ZINC000585111993 479288497 /nfs/dbraw/zinc/28/84/97/479288497.db2.gz GNUOUSTYQMSHSY-GOSISDBHSA-N 0 0 338.455 2.746 40 0 EFABRN CC(C)C(=O)NCC[C@@H]1CN(Cc2ccsc2)Cc2ccnn21 ZINC000585112167 479288673 /nfs/dbraw/zinc/28/86/73/479288673.db2.gz JYHSNQMDKJMKAD-OAHLLOKOSA-N 0 0 332.473 2.664 40 0 EFABRN C[C@H]1CCCN(C(=O)c2nc3c(o2)CCN(Cc2cncs2)C3)C1 ZINC000585112725 479288920 /nfs/dbraw/zinc/28/89/20/479288920.db2.gz UMGKIBBOKBWTPT-LBPRGKRZSA-N 0 0 346.456 2.562 40 0 EFABRN Cc1ccc(CN2Cc3ccnn3[C@H](CCNC(=O)C(C)C)C2)s1 ZINC000585112553 479289524 /nfs/dbraw/zinc/28/95/24/479289524.db2.gz SOUNLUFKHPYKPS-OAHLLOKOSA-N 0 0 346.500 2.972 40 0 EFABRN Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)s1 ZINC000585112338 479289616 /nfs/dbraw/zinc/28/96/16/479289616.db2.gz NHIYYNJOTZZWKZ-HNNXBMFYSA-N 0 0 344.484 2.726 40 0 EFABRN O=C(COc1ccccc1-c1nncn1-c1ccccc1)N1CCCC1 ZINC000585141259 479299096 /nfs/dbraw/zinc/29/90/96/479299096.db2.gz RVUDELCHQALGCW-UHFFFAOYSA-N 0 0 348.406 2.936 40 0 EFABRN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cc(F)ccc2Cl)CCOC1 ZINC000585141566 479299208 /nfs/dbraw/zinc/29/92/08/479299208.db2.gz CVBQPHVBCZJHHW-MRXNPFEDSA-N 0 0 343.782 2.710 40 0 EFABRN Cc1occc1C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000585141766 479299701 /nfs/dbraw/zinc/29/97/01/479299701.db2.gz XTFGGRZGCLKDOW-DEOSSOPVSA-N 0 0 349.412 2.555 40 0 EFABRN Cc1noc([C@@H]2C[C@H](F)CN2C(=O)c2ccc(Br)o2)n1 ZINC000585146130 479300026 /nfs/dbraw/zinc/30/00/26/479300026.db2.gz LLCAQCYXYYPKBJ-YUMQZZPRSA-N 0 0 344.140 2.659 40 0 EFABRN Cc1ncsc1C(=O)N1CCC[C@H](Oc2nc(C)cc(C)n2)C1 ZINC000585147215 479300092 /nfs/dbraw/zinc/30/00/92/479300092.db2.gz AHXFNSRJAMTTPZ-ZDUSSCGKSA-N 0 0 332.429 2.542 40 0 EFABRN Cc1cccc(CS(=O)(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)c1 ZINC000585141863 479300117 /nfs/dbraw/zinc/30/01/17/479300117.db2.gz HCVVCHFGOGJSJA-VIFPVBQESA-N 0 0 349.334 2.577 40 0 EFABRN COc1ccc(S(=O)(=O)NCCCCCCC(C)=O)c(C)c1 ZINC000585142539 479300121 /nfs/dbraw/zinc/30/01/21/479300121.db2.gz YBVAHSOYVIEHAH-UHFFFAOYSA-N 0 0 327.446 2.821 40 0 EFABRN CC(=O)N1CCN(Cc2cccc(C(=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000585182277 479301631 /nfs/dbraw/zinc/30/16/31/479301631.db2.gz OJNVGYLHEYYDTN-IBGZPJMESA-N 0 0 338.407 2.790 40 0 EFABRN Cc1cc(-c2nccn2C)nc(C2CCN(c3ccnc(C)n3)CC2)n1 ZINC000585178867 479301910 /nfs/dbraw/zinc/30/19/10/479301910.db2.gz UGVNVWIJMJGOTQ-UHFFFAOYSA-N 0 0 349.442 2.668 40 0 EFABRN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC[C@@H]1CCc1ccncc1 ZINC000585181346 479302231 /nfs/dbraw/zinc/30/22/31/479302231.db2.gz VFLUSNKZAXNLKX-OAHLLOKOSA-N 0 0 348.406 2.968 40 0 EFABRN Cc1c[nH]c([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)n1 ZINC000585181406 479302239 /nfs/dbraw/zinc/30/22/39/479302239.db2.gz FGNJAQRVLAYKPJ-HNNXBMFYSA-N 0 0 337.427 2.864 40 0 EFABRN O=C(Cc1cccnc1)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585269119 479303085 /nfs/dbraw/zinc/30/30/85/479303085.db2.gz KHYGADOYPXHJHG-SJLPKXTDSA-N 0 0 344.842 2.730 40 0 EFABRN O=C(CCc1ccccc1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585271476 479303561 /nfs/dbraw/zinc/30/35/61/479303561.db2.gz GTFMOLACKIUVKC-FQEVSTJZSA-N 0 0 343.398 2.801 40 0 EFABRN Cc1ncoc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585269302 479303603 /nfs/dbraw/zinc/30/36/03/479303603.db2.gz OMGWTWKAEPRKNG-GJZGRUSLSA-N 0 0 334.803 2.845 40 0 EFABRN Cc1ccc(OC[C@]2(O)CCN(Cc3nccn3C(C)C)C2)cc1 ZINC000585269376 479304043 /nfs/dbraw/zinc/30/40/43/479304043.db2.gz QVMHCKNMIJBZIF-IBGZPJMESA-N 0 0 329.444 2.788 40 0 EFABRN CCc1ncc(CN2CCC[C@@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585275869 479304502 /nfs/dbraw/zinc/30/45/02/479304502.db2.gz GATBPRKKGNIESM-FQEVSTJZSA-N 0 0 341.455 2.753 40 0 EFABRN COc1ccccc1C(=O)N1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585272069 479304572 /nfs/dbraw/zinc/30/45/72/479304572.db2.gz KOVYMLKHTMKMAD-FQEVSTJZSA-N 0 0 341.407 2.741 40 0 EFABRN CO[C@@]1(COc2cccc(C)c2)CCN(Cc2cnc(C)nc2)C1 ZINC000585275337 479304593 /nfs/dbraw/zinc/30/45/93/479304593.db2.gz AQRHCCLFDVVQQX-IBGZPJMESA-N 0 0 327.428 2.763 40 0 EFABRN Cc1cccc(OC[C@]2(O)CCN(C(=O)c3cc(C4CC4)on3)C2)c1 ZINC000585275625 479304610 /nfs/dbraw/zinc/30/46/10/479304610.db2.gz FEILEAXCRLRGRB-IBGZPJMESA-N 0 0 342.395 2.516 40 0 EFABRN CO[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C[C@H]1Cc1ccccc1F ZINC000585275811 479304938 /nfs/dbraw/zinc/30/49/38/479304938.db2.gz FOLMSYRZRGIMFB-RHSMWYFYSA-N 0 0 344.386 2.646 40 0 EFABRN CN(C)C(=O)CC[C@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000585276559 479305667 /nfs/dbraw/zinc/30/56/67/479305667.db2.gz BKFKIDZKIOMCRC-QGZVFWFLSA-N 0 0 342.842 2.674 40 0 EFABRN Cc1cccc(OC[C@@]2(O)CCN(C(=O)c3cccc(F)c3F)C2)c1 ZINC000585277464 479305677 /nfs/dbraw/zinc/30/56/77/479305677.db2.gz UYKLIRSLLMZPBZ-LJQANCHMSA-N 0 0 347.361 2.929 40 0 EFABRN CO[C@H]1CCCN(C(=O)c2ncccc2O)[C@H]1Cc1ccccc1 ZINC000585276431 479305738 /nfs/dbraw/zinc/30/57/38/479305738.db2.gz JVDMNKWQRISJLK-RDJZCZTQSA-N 0 0 326.396 2.650 40 0 EFABRN CN(C)C(=O)CC[C@@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000585276555 479306054 /nfs/dbraw/zinc/30/60/54/479306054.db2.gz BKFKIDZKIOMCRC-KRWDZBQOSA-N 0 0 342.842 2.674 40 0 EFABRN CCc1ncc(CN2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585276998 479306079 /nfs/dbraw/zinc/30/60/79/479306079.db2.gz KXNWSWSVWPEVFY-SJLPKXTDSA-N 0 0 329.419 2.604 40 0 EFABRN Nc1ncccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585276306 479306142 /nfs/dbraw/zinc/30/61/42/479306142.db2.gz HZNDTLJYRZCSQX-HOTGVXAUSA-N 0 0 345.830 2.525 40 0 EFABRN Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2cccc(F)c2)C1 ZINC000585277679 479306216 /nfs/dbraw/zinc/30/62/16/479306216.db2.gz OAGVPAPSABOQOO-LJQANCHMSA-N 0 0 329.371 2.790 40 0 EFABRN Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)nn1 ZINC000585276394 479306325 /nfs/dbraw/zinc/30/63/25/479306325.db2.gz JHTKAEOZNQTVDH-IRXDYDNUSA-N 0 0 345.830 2.647 40 0 EFABRN COc1ccccc1C(=O)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585277888 479306691 /nfs/dbraw/zinc/30/66/91/479306691.db2.gz XIPBNLKEDBQMCV-CRAIPNDOSA-N 0 0 343.398 2.900 40 0 EFABRN O=C(c1cncc(O)c1)N1CC[C@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585279268 479307057 /nfs/dbraw/zinc/30/70/57/479307057.db2.gz YRZZOFSXLSWAOE-PBHICJAKSA-N 0 0 346.814 2.506 40 0 EFABRN Cc1ccc(O[C@@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)[C@H]2O)cc1 ZINC000585284201 479307725 /nfs/dbraw/zinc/30/77/25/479307725.db2.gz GBXGXFNENLQHBV-QQTQMKHKSA-N 0 0 347.455 2.589 40 0 EFABRN O=C(CC[C@@H]1CCCO1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585284511 479307953 /nfs/dbraw/zinc/30/79/53/479307953.db2.gz JCUVVVWYZMSCFB-YNVMFWSZSA-N 0 0 347.455 2.670 40 0 EFABRN CO[C@@H]1CN(C(=O)c2cn(C)nc2C)CC[C@@H]1Cc1cccc(F)c1 ZINC000585280073 479308044 /nfs/dbraw/zinc/30/80/44/479308044.db2.gz XWPIUZDXIDDDNS-CRAIPNDOSA-N 0 0 345.418 2.587 40 0 EFABRN CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)NCc1cccc(C)c1C ZINC000585280386 479308104 /nfs/dbraw/zinc/30/81/04/479308104.db2.gz HHIJXSIQHYSDDX-OALUTQOASA-N 0 0 346.471 2.726 40 0 EFABRN CO[C@@H]1CN(C(=O)c2cn(C)nc2C)CC[C@@H]1Cc1ccccc1F ZINC000585279519 479308147 /nfs/dbraw/zinc/30/81/47/479308147.db2.gz NQGFSWLEALSLSH-CRAIPNDOSA-N 0 0 345.418 2.587 40 0 EFABRN O=C(CCCc1ccncc1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280101 479308168 /nfs/dbraw/zinc/30/81/68/479308168.db2.gz AIYKHCDZYSHRFY-UXHICEINSA-N 0 0 338.451 2.856 40 0 EFABRN CO[C@@H]1CN(C(=O)c2cncnc2C)CC[C@@H]1Cc1cccc(F)c1 ZINC000585280161 479308175 /nfs/dbraw/zinc/30/81/75/479308175.db2.gz YTIYWWBRFDLZHQ-CRAIPNDOSA-N 0 0 343.402 2.644 40 0 EFABRN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[C@@]2(CCCO2)C(=O)C1 ZINC000585288520 479309115 /nfs/dbraw/zinc/30/91/15/479309115.db2.gz CUGAEKFDTXBAPM-SFHVURJKSA-N 0 0 330.359 2.580 40 0 EFABRN CO[C@@H]1CCN(C(=O)C=Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000585288525 479309325 /nfs/dbraw/zinc/30/93/25/479309325.db2.gz CVCKQQNWFVFZSC-KTJBFALPSA-N 0 0 325.412 2.529 40 0 EFABRN CO[C@@]1(COc2ccccc2)CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000585288871 479309442 /nfs/dbraw/zinc/30/94/42/479309442.db2.gz KJWFZNUXNVTXLW-SGQUHAKNSA-N 0 0 341.411 2.510 40 0 EFABRN CO[C@H]1CN(C(=O)C=Cc2c[nH]cn2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585288617 479309597 /nfs/dbraw/zinc/30/95/97/479309597.db2.gz FRINOIACLUNDFO-KRZVHVFCSA-N 0 0 339.439 2.838 40 0 EFABRN CO[C@H]1CCCN(C(=O)C=Cc2c[nH]cn2)[C@H]1Cc1ccc(C)cc1 ZINC000585288652 479309637 /nfs/dbraw/zinc/30/96/37/479309637.db2.gz GUGVWMSAACRCIO-MYQPPDNISA-N 0 0 339.439 2.980 40 0 EFABRN O=C(C=Cc1c[nH]cn1)N1CC[C@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585289922 479310515 /nfs/dbraw/zinc/31/05/15/479310515.db2.gz XSKLLQRGXPCABW-HVMMPBATSA-N 0 0 345.830 2.528 40 0 EFABRN C=CC(=O)N1CCC(Cc2cc(Nc3cccc(C)n3)ncn2)CC1 ZINC000585291893 479310604 /nfs/dbraw/zinc/31/06/04/479310604.db2.gz VCCZGUZTHYQGDT-UHFFFAOYSA-N 0 0 337.427 2.891 40 0 EFABRN C=CC(=O)N1CCC[C@H](c2nccnc2Nc2nc(C)c(C)s2)C1 ZINC000585291462 479310696 /nfs/dbraw/zinc/31/06/96/479310696.db2.gz PXISQCGJWOYZKA-ZDUSSCGKSA-N 0 0 343.456 3.186 40 0 EFABRN Cc1c2cc(F)ccc2oc1C(=O)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585290021 479310758 /nfs/dbraw/zinc/31/07/58/479310758.db2.gz ZDJBXIQXDXUNHK-GOSISDBHSA-N 0 0 331.343 2.845 40 0 EFABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC2(COC(C)(C)C2)CC1 ZINC000585290270 479311089 /nfs/dbraw/zinc/31/10/89/479311089.db2.gz PUGKWFVKPXUONE-VOTSOKGWSA-N 0 0 331.460 2.858 40 0 EFABRN COc1cc(C)nc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000603821381 479432249 /nfs/dbraw/zinc/43/22/49/479432249.db2.gz IFWCAOFDANCSQE-AWEZNQCLSA-N 0 0 327.384 2.906 40 0 EFABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)CC4CC4)C3)C2)n1 ZINC000575402998 479438328 /nfs/dbraw/zinc/43/83/28/479438328.db2.gz HMIGGRXOVGCTME-MRXNPFEDSA-N 0 0 332.469 2.793 40 0 EFABRN O=C(N1CC2(C1)C[C@@H](OCc1ccncc1)CS2)C1(F)CCC1 ZINC000575404344 479438772 /nfs/dbraw/zinc/43/87/72/479438772.db2.gz RVDXWCCUCBYMST-CQSZACIVSA-N 0 0 336.432 2.577 40 0 EFABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CS2 ZINC000575404607 479439097 /nfs/dbraw/zinc/43/90/97/479439097.db2.gz OOLBVWVYUGZJDW-OAHLLOKOSA-N 0 0 344.436 2.900 40 0 EFABRN CCCCC(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575406798 479439220 /nfs/dbraw/zinc/43/92/20/479439220.db2.gz TXZGBELIXBYEQE-BZSNNMDCSA-N 0 0 332.444 2.652 40 0 EFABRN CC(C)CC(=O)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000575404770 479439244 /nfs/dbraw/zinc/43/92/44/479439244.db2.gz PVFUDMVHNVEBEC-OAHLLOKOSA-N 0 0 327.490 2.562 40 0 EFABRN Cc1cncc(C(=O)N2CC3(C2)C[C@H](Oc2ccccn2)CS3)c1 ZINC000575405593 479439262 /nfs/dbraw/zinc/43/92/62/479439262.db2.gz SJYCRDMMKKTYLB-HNNXBMFYSA-N 0 0 341.436 2.564 40 0 EFABRN O=C(N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2)C1(F)CCC1 ZINC000575405378 479439280 /nfs/dbraw/zinc/43/92/80/479439280.db2.gz YYCJKKDZAMAZLK-LLVKDONJSA-N 0 0 340.395 2.578 40 0 EFABRN CC(C)CCC(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000575404669 479439521 /nfs/dbraw/zinc/43/95/21/479439521.db2.gz PCNVBPBCNOTTOB-FHWLQOOXSA-N 0 0 346.471 2.898 40 0 EFABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)C4(F)CCC4)C3)C2)c1 ZINC000575404506 479439615 /nfs/dbraw/zinc/43/96/15/479439615.db2.gz NSKNGVXEUPPUAG-MRXNPFEDSA-N 0 0 348.418 2.559 40 0 EFABRN CC(C)(C)OC(=O)NCCN1Cc2cc(Cl)ccc2OCC1=O ZINC000575413733 479441577 /nfs/dbraw/zinc/44/15/77/479441577.db2.gz GCHZCESVNNAMGM-UHFFFAOYSA-N 0 0 340.807 2.586 40 0 EFABRN Cc1ccc(NC(=O)NCC2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000575415585 479441620 /nfs/dbraw/zinc/44/16/20/479441620.db2.gz DTHPKTCYEWDLAP-GOSISDBHSA-N 0 0 331.460 2.926 40 0 EFABRN O=C(C1CCC1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575415033 479441959 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CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC1 ZINC000000779169 209684842 /nfs/dbraw/zinc/68/48/42/209684842.db2.gz CIIXFYJSWJPCGC-UHFFFAOYSA-N 0 0 330.457 2.603 40 0 EFABRN Cc1nnc([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)s1 ZINC000038666553 213219811 /nfs/dbraw/zinc/21/98/11/213219811.db2.gz SBGWKHXCWVRNPK-ZDUSSCGKSA-N 0 0 337.470 2.723 40 0 EFABRN O=C(COc1ccccc1F)N1CCC(c2nnc(C3CC3)o2)CC1 ZINC000038518730 213213350 /nfs/dbraw/zinc/21/33/50/213213350.db2.gz CJMRWLIMHVZJRH-UHFFFAOYSA-N 0 0 345.374 2.871 40 0 EFABRN CN1CC[C@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000121372364 283120314 /nfs/dbraw/zinc/12/03/14/283120314.db2.gz VKRHWYHFCNXOQK-HOTGVXAUSA-N 0 0 336.863 2.897 40 0 EFABRN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC(Oc2ccccc2)CC1 ZINC000184285896 235356352 /nfs/dbraw/zinc/35/63/52/235356352.db2.gz ALUJDGHGPCGYSF-NSHDSACASA-N 0 0 337.363 2.810 40 0 EFABRN C[C@H](C(=O)N(C)c1nncs1)N1CCC(Cc2ccccc2)CC1 ZINC000185368306 235651780 /nfs/dbraw/zinc/65/17/80/235651780.db2.gz GCKYWBVLUZSBJT-CQSZACIVSA-N 0 0 344.484 2.844 40 0 EFABRN C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000105886606 219580373 /nfs/dbraw/zinc/58/03/73/219580373.db2.gz LUVHJKKLDBCTGZ-GRDNDAEWSA-N 0 0 332.444 2.993 40 0 EFABRN Cc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)n1C ZINC000186434462 235906267 /nfs/dbraw/zinc/90/62/67/235906267.db2.gz KCRUXQGBGJBYKD-UHFFFAOYSA-N 0 0 334.366 2.736 40 0 EFABRN CC(C)=CCC[C@@H](C)CCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000193234864 535359084 /nfs/dbraw/zinc/35/90/84/535359084.db2.gz QELFZLRTMAEYKL-QZTJIDSGSA-N 0 0 342.549 2.564 40 0 EFABRN Cn1cc(C(=O)N2CCc3nc(-c4cccc(F)c4)sc3C2)cn1 ZINC000036752133 213115511 /nfs/dbraw/zinc/11/55/11/213115511.db2.gz ANFLMWULILHWCW-UHFFFAOYSA-N 0 0 342.399 2.881 40 0 EFABRN O=C(Cc1cccs1)NCCCN1CCO[C@H](c2ccccc2)C1 ZINC000036699942 213111374 /nfs/dbraw/zinc/11/13/74/213111374.db2.gz ULHBTATZZGEBHF-SFHVURJKSA-N 0 0 344.480 2.870 40 0 EFABRN CCOC(=O)Cc1csc2nc(=O)c3c4c(sc3n12)CCC4 ZINC000036644119 213107539 /nfs/dbraw/zinc/10/75/39/213107539.db2.gz SNVRCJDPZGPHDP-UHFFFAOYSA-N 0 0 334.422 2.565 40 0 EFABRN Cc1nn(CC(=O)NC2CC2)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000036615351 213102638 /nfs/dbraw/zinc/10/26/38/213102638.db2.gz JYJWFZSNSCFVPR-UHFFFAOYSA-N 0 0 338.333 2.915 40 0 EFABRN Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615443 213102396 /nfs/dbraw/zinc/10/23/96/213102396.db2.gz KMVAYQNONQLDCT-LBPRGKRZSA-N 0 0 336.754 2.951 40 0 EFABRN Cc1nn(C)c(C)c1CC(=O)NC(C)(C)c1nc2ccccc2n1C ZINC000186794363 236023080 /nfs/dbraw/zinc/02/30/80/236023080.db2.gz ANINOBJQQRSEDC-UHFFFAOYSA-N 0 0 339.443 2.518 40 0 EFABRN CCn1ncc(S(=O)(=O)NCCc2c[nH]c3ccc(C)cc23)c1C ZINC000036612447 213102006 /nfs/dbraw/zinc/10/20/06/213102006.db2.gz XMWPGMMDTRSEKQ-UHFFFAOYSA-N 0 0 346.456 2.522 40 0 EFABRN Cc1ccc(/C=C/C(=O)Nc2cccc(NS(N)(=O)=O)c2)c(C)c1 ZINC000036394033 213095694 /nfs/dbraw/zinc/09/56/94/213095694.db2.gz KUDQSZPURKHUMG-CMDGGOBGSA-N 0 0 345.424 2.571 40 0 EFABRN Cc1nn(C)c2ncc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)cc12 ZINC000186897960 236057884 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C[C@H]1Cc2ccccc2N1C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000036022325 213056443 /nfs/dbraw/zinc/05/64/43/213056443.db2.gz SCWIPTOVSNLIMA-ZDUSSCGKSA-N 0 0 333.391 2.834 40 0 EFABRN CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(SC)cc2)C1 ZINC000035622924 213042901 /nfs/dbraw/zinc/04/29/01/213042901.db2.gz NWIRMAUXRXJNSL-ZFWWWQNUSA-N 0 0 337.441 2.809 40 0 EFABRN COc1ccccc1[C@H](NC(=O)c1ccc(C)nc1)c1noc(C)n1 ZINC000070983309 215730262 /nfs/dbraw/zinc/73/02/62/215730262.db2.gz FIQURXPLXXRCRU-INIZCTEOSA-N 0 0 338.367 2.609 40 0 EFABRN COc1ccc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)cc1 ZINC000035597671 213041738 /nfs/dbraw/zinc/04/17/38/213041738.db2.gz LWKRCDKLRHBLCX-UHFFFAOYSA-N 0 0 327.384 2.975 40 0 EFABRN COc1ccc(Cl)cc1C(=O)Nc1nn(C)c2c1[C@@H](C)CC(=O)N2 ZINC000035597834 213040919 /nfs/dbraw/zinc/04/09/19/213040919.db2.gz LHOTVQTYLNRDOL-QMMMGPOBSA-N 0 0 348.790 2.780 40 0 EFABRN Cc1ccnc(NC(=O)Cc2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000035592763 213040619 /nfs/dbraw/zinc/04/06/19/213040619.db2.gz YUENXIKCGDXKNA-UHFFFAOYSA-N 0 0 337.335 2.955 40 0 EFABRN CNc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1 ZINC000035426153 213027801 /nfs/dbraw/zinc/02/78/01/213027801.db2.gz HSUYLKCGHPNLII-HNNXBMFYSA-N 0 0 336.399 2.905 40 0 biogenic,in-vitro EFABRN Cc1nn(CCC(=O)N[C@H]2CCCc3c2cnn3C)c2ccccc12 ZINC000071195872 215743467 /nfs/dbraw/zinc/74/34/67/215743467.db2.gz FYEOJNGPCVWVFG-INIZCTEOSA-N 0 0 337.427 2.662 40 0 EFABRN COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1 ZINC000035425870 213026922 /nfs/dbraw/zinc/02/69/22/213026922.db2.gz HGPVWDHYAGNRKB-HNNXBMFYSA-N 0 0 337.383 2.872 40 0 biogenic,in-vitro EFABRN Cc1cc(C)c(NC(=O)CSc2nnc3ncccn32)c(C)c1 ZINC000035312385 213020076 /nfs/dbraw/zinc/02/00/76/213020076.db2.gz WMMVIYWGZHEENR-UHFFFAOYSA-N 0 0 327.413 2.780 40 0 EFABRN O=C(CN1CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311555 213019581 /nfs/dbraw/zinc/01/95/81/213019581.db2.gz BBAJGJFCGWIVMA-UHFFFAOYSA-N 0 0 329.444 2.737 40 0 EFABRN O=C(Cn1nnc(-c2c[nH]c3ccccc32)n1)Nc1ccccc1F ZINC000035313144 213020730 /nfs/dbraw/zinc/02/07/30/213020730.db2.gz SMQJAGINSUJESM-UHFFFAOYSA-N 0 0 336.330 2.599 40 0 EFABRN Cc1cccc(N2C[C@H](C(=O)NCc3ccc(F)cc3)CC2=O)c1 ZINC000034916298 212998560 /nfs/dbraw/zinc/99/85/60/212998560.db2.gz NLSDEEZRQDFVKA-OAHLLOKOSA-N 0 0 326.371 2.803 40 0 EFABRN NC(=O)c1ccsc1NC(=O)c1ccc(Br)cc1 ZINC000004281486 283388355 /nfs/dbraw/zinc/38/83/55/283388355.db2.gz LRTBRSKSVGNEFK-UHFFFAOYSA-N 0 0 325.187 2.862 40 0 EFABRN NC(=O)c1sc2ncccc2c1C1CCN(C(=O)C2CCC2)CC1 ZINC000257293027 283396622 /nfs/dbraw/zinc/39/66/22/283396622.db2.gz QNVWDBKPEVAOGA-UHFFFAOYSA-N 0 0 343.452 2.901 40 0 EFABRN COC(CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1)OC ZINC000189238850 236803615 /nfs/dbraw/zinc/80/36/15/236803615.db2.gz JBEAWARQDPHNJD-CYBMUJFWSA-N 0 0 348.212 2.580 40 0 EFABRN CC[C@H]1CCCCN1C(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 ZINC000032887721 212861964 /nfs/dbraw/zinc/86/19/64/212861964.db2.gz CFMDBMANELFKIX-WFASDCNBSA-N 0 0 331.395 2.831 40 0 EFABRN CCc1cccc(C)c1NC(=O)COc1cc(C)ccc1C(N)=O ZINC000032866078 212858807 /nfs/dbraw/zinc/85/88/07/212858807.db2.gz ZZNKOCBVXSGGLI-UHFFFAOYSA-N 0 0 326.396 2.982 40 0 EFABRN CCNC(=O)Cc1ccc(NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000032817193 212848688 /nfs/dbraw/zinc/84/86/88/212848688.db2.gz HKTCVQXXRMYYJA-CQSZACIVSA-N 0 0 329.227 2.888 40 0 EFABRN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](C)c1ccco1 ZINC000032739462 212831932 /nfs/dbraw/zinc/83/19/32/212831932.db2.gz IAOQGLAKODOSEM-KSSFIOAISA-N 0 0 328.412 2.840 40 0 EFABRN COc1ccc(C(=O)[C@@H](C)Sc2nnnn2CC(F)(F)F)cc1 ZINC000072067902 216002149 /nfs/dbraw/zinc/00/21/49/216002149.db2.gz LRPHLFGCKDBYPO-MRVPVSSYSA-N 0 0 346.334 2.608 40 0 EFABRN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1NC(=O)c2cccnc2N1 ZINC000072074756 216002978 /nfs/dbraw/zinc/00/29/78/216002978.db2.gz MCUZXEWYNZPIEU-GOSISDBHSA-N 0 0 333.395 2.797 40 0 EFABRN O=S(=O)(CCO)c1ccc(NCc2cc(Cl)ccc2F)cc1 ZINC000189677543 237137093 /nfs/dbraw/zinc/13/70/93/237137093.db2.gz SWRYBMCBSOKLRL-UHFFFAOYSA-N 0 0 343.807 2.857 40 0 EFABRN Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCC1)OCO3 ZINC000000415396 209579396 /nfs/dbraw/zinc/57/93/96/209579396.db2.gz WLPLZUDCEMICSB-UHFFFAOYSA-N 0 0 330.409 2.986 40 0 EFABRN Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H]2CO)cc1OCC(F)F ZINC000189900571 237376223 /nfs/dbraw/zinc/37/62/23/237376223.db2.gz ZDZVMPXOYUDOSX-ZWNOBZJWSA-N 0 0 328.359 2.874 40 0 EFABRN Cc1csc2c1ncnc2N1CCC[C@H]1CC(=O)c1cnn(C)c1 ZINC000189989680 237478558 /nfs/dbraw/zinc/47/85/58/237478558.db2.gz KBRHBKXLUUDHKQ-ZDUSSCGKSA-N 0 0 341.440 2.975 40 0 EFABRN CCn1cc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(C)cc2)cn1 ZINC000072238204 216077798 /nfs/dbraw/zinc/07/77/98/216077798.db2.gz GIQRYKMMEIBFTD-SJLPKXTDSA-N 0 0 340.427 2.760 40 0 EFABRN CN1C(=O)CO[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1cccc(F)c1 ZINC000072241681 216080569 /nfs/dbraw/zinc/08/05/69/216080569.db2.gz VIRJSXYMIIELNM-DLBZAZTESA-N 0 0 346.333 2.502 40 0 EFABRN CN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC000072241824 216080683 /nfs/dbraw/zinc/08/06/83/216080683.db2.gz LJSMPHPDYUFFJO-SJLPKXTDSA-N 0 0 344.386 2.987 40 0 EFABRN CN1C(=O)CC[C@H](C(=O)NCc2ccco2)[C@@H]1c1cccc(F)c1 ZINC000072241863 216080785 /nfs/dbraw/zinc/08/07/85/216080785.db2.gz BSKGERSDHHDQCA-RDJZCZTQSA-N 0 0 330.359 2.645 40 0 EFABRN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)n1 ZINC000072242200 216081654 /nfs/dbraw/zinc/08/16/54/216081654.db2.gz RHZZYXXJSNANFA-PBHICJAKSA-N 0 0 327.359 2.687 40 0 EFABRN Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)o1 ZINC000072238189 216077564 /nfs/dbraw/zinc/07/75/64/216077564.db2.gz DOLHJHIZKMTSAS-BBRMVZONSA-N 0 0 332.425 2.875 40 0 EFABRN Cn1nc(CC(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O ZINC000000410911 209573609 /nfs/dbraw/zinc/57/36/09/209573609.db2.gz XDKHYMZGUPCREI-SFHVURJKSA-N 0 0 347.418 2.670 40 0 EFABRN CN1C(=O)C[C@@H](C(=O)Nc2cnn(CC3CC3)c2)[C@H]1c1cccs1 ZINC000072251970 216083603 /nfs/dbraw/zinc/08/36/03/216083603.db2.gz OBRZRNMQFZACII-CJNGLKHVSA-N 0 0 344.440 2.513 40 0 EFABRN CCOc1cc(C(=O)Nc2ccn(CC)n2)nn1-c1ccccc1 ZINC000072264686 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O=C(c1ccncc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccccc1 ZINC000000291900 209520640 /nfs/dbraw/zinc/52/06/40/209520640.db2.gz QTHADRGVZFACML-OAHLLOKOSA-N 0 0 335.285 2.691 40 0 EFABRN Cc1c([C@@H](C)NC(=O)c2cnsn2)cnn1-c1ccc(F)cc1 ZINC000129337655 223046183 /nfs/dbraw/zinc/04/61/83/223046183.db2.gz KQZYVYIRSXRBAB-SECBINFHSA-N 0 0 331.376 2.662 40 0 EFABRN O=C(c1ccsc1)N1CC[C@H]2OCCN(c3cccnc3)[C@@H]2CC1 ZINC000107255246 219757521 /nfs/dbraw/zinc/75/75/21/219757521.db2.gz DMIGLEVGWFBONT-IAGOWNOFSA-N 0 0 343.452 2.653 40 0 EFABRN Cc1ccccc1C(=O)N[C@@H](C)Cn1nc2c(cc1=O)CCCCC2 ZINC000072325013 216151111 /nfs/dbraw/zinc/15/11/11/216151111.db2.gz QIGYYDQIDPMYRW-HNNXBMFYSA-N 0 0 339.439 2.639 40 0 EFABRN CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2cncn2C)n1 ZINC000072355710 216164876 /nfs/dbraw/zinc/16/48/76/216164876.db2.gz GQZTULDQMAJWAQ-KRWDZBQOSA-N 0 0 336.443 2.900 40 0 EFABRN COCC(=O)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358759 216166134 /nfs/dbraw/zinc/16/61/34/216166134.db2.gz GQVHEMZQZSJXBX-ZDUSSCGKSA-N 0 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Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)n1 ZINC000257218063 244174961 /nfs/dbraw/zinc/17/49/61/244174961.db2.gz DBRYLDZHZQGQKB-LBPRGKRZSA-N 0 0 336.823 2.709 40 0 EFABRN Fc1cccnc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257217599 244175156 /nfs/dbraw/zinc/17/51/56/244175156.db2.gz CZRNGCUJWABYBL-AWEZNQCLSA-N 0 0 338.390 2.576 40 0 EFABRN Cn1c(=O)oc2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc21 ZINC000257208164 244140461 /nfs/dbraw/zinc/14/04/61/244140461.db2.gz BLADXWQJBRJYBZ-GFCCVEGCSA-N 0 0 343.408 2.608 40 0 EFABRN CN(C)c1cc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)ccn1 ZINC000257207339 244140936 /nfs/dbraw/zinc/14/09/36/244140936.db2.gz BHHUQWXGWBVFDQ-OAHLLOKOSA-N 0 0 340.427 2.992 40 0 EFABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3cncc(C)n3)C2)n1 ZINC000257208631 244144581 /nfs/dbraw/zinc/14/45/81/244144581.db2.gz BMXYWUPFVAUVFW-KRWDZBQOSA-N 0 0 341.459 2.785 40 0 EFABRN CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000257208854 244144779 /nfs/dbraw/zinc/14/47/79/244144779.db2.gz 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Cc1cc2nc(C3CC[NH+](Cc4scnc4C)CC3)cc(=O)n2[n-]1 ZINC000257223147 244190827 /nfs/dbraw/zinc/19/08/27/244190827.db2.gz DWCLHUWNYRYYHS-UHFFFAOYSA-N 0 0 343.456 2.888 40 0 EFABRN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)C3CC3)CCO2)n1 ZINC000257222763 244192230 /nfs/dbraw/zinc/19/22/30/244192230.db2.gz DUQFSXPVZFNRLB-KRWDZBQOSA-N 0 0 341.411 2.917 40 0 EFABRN CO[C@@H]1CCCC[C@@H](NC(=O)Cc2coc3cc(C)ccc23)[C@H]1O ZINC000257224527 244194914 /nfs/dbraw/zinc/19/49/14/244194914.db2.gz FCDZDILIRIOJJT-GPMSIDNRSA-N 0 0 331.412 2.718 40 0 EFABRN CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(c1cnccn1)CC2 ZINC000257225580 244199673 /nfs/dbraw/zinc/19/96/73/244199673.db2.gz FGVRCHYGDZGIMX-KRWDZBQOSA-N 0 0 342.418 2.880 40 0 EFABRN Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1 ZINC000257232160 244216895 /nfs/dbraw/zinc/21/68/95/244216895.db2.gz GJRFSAGUWKUKAM-LLVKDONJSA-N 0 0 325.821 2.550 40 0 EFABRN CN(C(=O)c1ccncc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257226330 244200898 /nfs/dbraw/zinc/20/08/98/244200898.db2.gz 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Cc1cc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)nc(C)n1 ZINC000257242875 244248183 /nfs/dbraw/zinc/24/81/83/244248183.db2.gz IEOOCDWGTVNECX-INIZCTEOSA-N 0 0 331.441 2.688 40 0 EFABRN O=C(Cc1ccsc1)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257243672 244251030 /nfs/dbraw/zinc/25/10/30/244251030.db2.gz IIAIROCMLLNSSJ-UHFFFAOYSA-N 0 0 326.425 2.740 40 0 EFABRN CN(C(=O)c1cccc(F)c1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257244583 244252442 /nfs/dbraw/zinc/25/24/42/244252442.db2.gz ILYJROHORJRIRU-SQNIBIBYSA-N 0 0 329.371 2.869 40 0 EFABRN O=C(COc1ccccc1)N1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1 ZINC000257244572 244252805 /nfs/dbraw/zinc/25/28/05/244252805.db2.gz ILXPIKNGWTZULB-GPMSIDNRSA-N 0 0 337.423 2.583 40 0 EFABRN CCCn1ccnc1CN1CCN(C(C)=O)C[C@H]1c1ccccc1 ZINC000257245427 244256077 /nfs/dbraw/zinc/25/60/77/244256077.db2.gz IPKUZGNPCCSOKK-SFHVURJKSA-N 0 0 326.444 2.699 40 0 EFABRN Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)n1 ZINC000257232662 244217587 /nfs/dbraw/zinc/21/75/87/244217587.db2.gz 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2.748 40 0 EFABRN CC[C@H]1CN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C)CCO1 ZINC000030851117 472350679 /nfs/dbraw/zinc/35/06/79/472350679.db2.gz OSOJVOOSCWVJCX-ZDUSSCGKSA-N 0 0 330.432 2.651 40 0 EFABRN COc1ccc(S[C@@H](C)C(=O)NCc2ccncc2)cc1OC ZINC000030847536 472350845 /nfs/dbraw/zinc/35/08/45/472350845.db2.gz GBFUBIRIYRGFKZ-LBPRGKRZSA-N 0 0 332.425 2.896 40 0 EFABRN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCn1ccccc1=O ZINC000076468449 472351378 /nfs/dbraw/zinc/35/13/78/472351378.db2.gz VZGDSPHBAJIHGX-CQSZACIVSA-N 0 0 332.831 2.981 40 0 EFABRN COc1cccc(O[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000030867708 472351786 /nfs/dbraw/zinc/35/17/86/472351786.db2.gz OHGKZCMGXSHBIL-INIZCTEOSA-N 0 0 340.423 2.811 40 0 EFABRN O=C(CC[C@H]1CCCO1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000088242402 472352200 /nfs/dbraw/zinc/35/22/00/472352200.db2.gz DBIZVZPNSJPKFJ-MRXNPFEDSA-N 0 0 344.386 2.933 40 0 EFABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 ZINC000030946367 472355223 /nfs/dbraw/zinc/35/52/23/472355223.db2.gz OGPDAUWCQDQTQK-UHFFFAOYSA-N 0 0 334.379 2.591 40 0 EFABRN CN(CCOc1ccccc1)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000076490936 472355876 /nfs/dbraw/zinc/35/58/76/472355876.db2.gz TWYYMMDGIOQXOI-UHFFFAOYSA-N 0 0 344.459 2.667 40 0 EFABRN CCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000044947424 472356162 /nfs/dbraw/zinc/35/61/62/472356162.db2.gz RGZHSWOUCZXJMM-UHFFFAOYSA-N 0 0 338.816 2.891 40 0 EFABRN Cc1noc2nc(-c3ccco3)cc(C(=O)/N=c3\sccn3C)c12 ZINC000030992759 472357027 /nfs/dbraw/zinc/35/70/27/472357027.db2.gz QRFHVCHJTXHYPF-VLGSPTGOSA-N 0 0 340.364 2.932 40 0 EFABRN CN(C(=O)c1cc2ccccc2o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076499606 472357340 /nfs/dbraw/zinc/35/73/40/472357340.db2.gz LXXOBCKRRQXDKO-BBRMVZONSA-N 0 0 335.425 2.861 40 0 EFABRN CN(C(=O)c1cc2ccccc2o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000076499609 472357602 /nfs/dbraw/zinc/35/76/02/472357602.db2.gz LXXOBCKRRQXDKO-CZUORRHYSA-N 0 0 335.425 2.861 40 0 EFABRN C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000031059235 472360698 /nfs/dbraw/zinc/36/06/98/472360698.db2.gz KUJBLESNPVLANX-CYBMUJFWSA-N 0 0 325.364 2.656 40 0 EFABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCOCC1 ZINC000044998259 472363044 /nfs/dbraw/zinc/36/30/44/472363044.db2.gz QLYPRJGEEQTYCK-INIZCTEOSA-N 0 0 348.487 2.590 40 0 EFABRN COc1ccccc1[C@H](NC(=O)NCc1noc(C)n1)C(C)(C)C ZINC000088591350 472374631 /nfs/dbraw/zinc/37/46/31/472374631.db2.gz ORTNEYAWKOQYOJ-HNNXBMFYSA-N 0 0 332.404 2.973 40 0 EFABRN C[C@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)n1ccnc1 ZINC000076649993 472380509 /nfs/dbraw/zinc/38/05/09/472380509.db2.gz OABHGQSKUGBMOI-CQSZACIVSA-N 0 0 329.400 2.888 40 0 EFABRN CC(C)OCCCNC(=O)C1CCN(c2ncccc2Cl)CC1 ZINC000088701183 472381463 /nfs/dbraw/zinc/38/14/63/472381463.db2.gz LAOGGDLAVODQNR-UHFFFAOYSA-N 0 0 339.867 2.883 40 0 EFABRN FC(F)(F)c1nnc2ccc(Oc3cccc(-n4cncn4)c3)nn21 ZINC000076688656 472384851 /nfs/dbraw/zinc/38/48/51/472384851.db2.gz FNDGEEHYMNKKEL-UHFFFAOYSA-N 0 0 347.260 2.516 40 0 EFABRN O=C(CCCc1cc(Cl)sc1Cl)N1CCCS1(=O)=O ZINC000088803580 472387701 /nfs/dbraw/zinc/38/77/01/472387701.db2.gz MUHJPCVWETYONA-UHFFFAOYSA-N 0 0 342.269 2.940 40 0 EFABRN Cc1csc([C@H](C)NC(=O)Nc2cccc(Cn3cncn3)c2)n1 ZINC000069653995 472389147 /nfs/dbraw/zinc/38/91/47/472389147.db2.gz NOBRXLJVXOWJHZ-LBPRGKRZSA-N 0 0 342.428 2.974 40 0 EFABRN O=S1(=O)[C@H]2CCCCC[C@]2(N2CCOCC2)[C@@H]1c1ccccc1 ZINC000031716414 472389845 /nfs/dbraw/zinc/38/98/45/472389845.db2.gz LMULUJMYTXSLLY-OKZBNKHCSA-N 0 0 335.469 2.560 40 0 EFABRN Cc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000096686029 472392153 /nfs/dbraw/zinc/39/21/53/472392153.db2.gz OABGJOZSAGXALL-HNNXBMFYSA-N 0 0 326.371 2.803 40 0 EFABRN CCOc1ccccc1-c1cccc(C(=O)NC2CN(C(C)=O)C2)c1 ZINC000089284457 472405370 /nfs/dbraw/zinc/40/53/70/472405370.db2.gz LHCXRBXIXJBTFU-UHFFFAOYSA-N 0 0 338.407 2.713 40 0 EFABRN Cc1nnc2sc(-c3cccc(NC(=O)C(F)(F)F)c3)nn12 ZINC000057316804 472414897 /nfs/dbraw/zinc/41/48/97/472414897.db2.gz LGYTYKJSAOKERU-UHFFFAOYSA-N 0 0 327.291 2.662 40 0 EFABRN COc1ccccc1C(=O)N1CCN(c2c(N)cccc2Cl)CC1 ZINC000057331924 472417085 /nfs/dbraw/zinc/41/70/85/472417085.db2.gz SSLVYRMFGHDIOP-UHFFFAOYSA-N 0 0 345.830 2.893 40 0 EFABRN O=C(c1nnc2sc(-c3ccccc3Cl)nn21)N1CCCC1 ZINC000057354598 472418465 /nfs/dbraw/zinc/41/84/65/472418465.db2.gz PPBVICSWQKTHPB-UHFFFAOYSA-N 0 0 333.804 2.742 40 0 EFABRN CCn1nc(C)c2nc(C)nc(NCc3ccc4c(c3)OCO4)c21 ZINC000057355794 472419827 /nfs/dbraw/zinc/41/98/27/472419827.db2.gz NOZXBZGSQVSWHN-UHFFFAOYSA-N 0 0 325.372 2.804 40 0 EFABRN O=C(NCCOc1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 ZINC000069768145 472423360 /nfs/dbraw/zinc/42/33/60/472423360.db2.gz BWMNRNCIMJWCHC-INIZCTEOSA-N 0 0 333.771 2.675 40 0 EFABRN CCc1onc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000089396602 472426269 /nfs/dbraw/zinc/42/62/69/472426269.db2.gz WQFOPPZXRIZUQR-LBPRGKRZSA-N 0 0 343.383 2.546 40 0 EFABRN CCc1onc(C)c1NC(=O)[C@@H]1C[C@H]1C(=O)Nc1c(C)noc1CC ZINC000089396694 472427357 /nfs/dbraw/zinc/42/73/57/472427357.db2.gz QEVZGDFRLVQBMO-GHMZBOCLSA-N 0 0 346.387 2.618 40 0 EFABRN Cc1ccc(NC(=O)c2ccsc2)cc1N1CCCS1(=O)=O ZINC000076934100 472427409 /nfs/dbraw/zinc/42/74/09/472427409.db2.gz ZYNSFABZWNSJBO-UHFFFAOYSA-N 0 0 336.438 2.849 40 0 EFABRN O=C(Cc1cn2ccccc2n1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000032452366 472436777 /nfs/dbraw/zinc/43/67/77/472436777.db2.gz SDTPTSVPMVSETP-UHFFFAOYSA-N 0 0 331.278 2.837 40 0 EFABRN O=C([C@@H]1CCCO1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000097083251 472437839 /nfs/dbraw/zinc/43/78/39/472437839.db2.gz OCLZGBJUDTZHEL-KBPBESRZSA-N 0 0 329.318 2.784 40 0 EFABRN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCCN2C(=O)CCC2=O)cc1 ZINC000076994569 472440997 /nfs/dbraw/zinc/44/09/97/472440997.db2.gz RVLSLNJPIDVHSK-IAGOWNOFSA-N 0 0 342.439 2.569 40 0 EFABRN Cc1ccc([C@H](C)NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)o1 ZINC000057465211 472441289 /nfs/dbraw/zinc/44/12/89/472441289.db2.gz KIYDKRYXWFZKFP-AWEZNQCLSA-N 0 0 337.379 2.684 40 0 EFABRN CCc1nnc(CN2CCOC[C@H]2CC(=O)c2ccccc2)s1 ZINC000097095918 472443116 /nfs/dbraw/zinc/44/31/16/472443116.db2.gz BRBTVRPUAYQHBJ-CQSZACIVSA-N 0 0 331.441 2.574 40 0 EFABRN O=C(NCCCc1ccccc1)N1CCN(Cc2ccccn2)CC1 ZINC000097096524 472443445 /nfs/dbraw/zinc/44/34/45/472443445.db2.gz DXCYCUBJFJQZTR-UHFFFAOYSA-N 0 0 338.455 2.542 40 0 EFABRN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 ZINC000089460283 472443803 /nfs/dbraw/zinc/44/38/03/472443803.db2.gz LFJDIMVHWRGVIP-OAHLLOKOSA-N 0 0 332.444 2.804 40 0 EFABRN Cc1cc([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)c(C)s1 ZINC000097095029 472443926 /nfs/dbraw/zinc/44/39/26/472443926.db2.gz LFWSAVMKNXSMDL-OSMZGAPFSA-N 0 0 326.462 2.607 40 0 EFABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)cc1C ZINC000032585692 472444216 /nfs/dbraw/zinc/44/42/16/472444216.db2.gz SKVPIGNNDRAKME-UHFFFAOYSA-N 0 0 349.408 2.981 40 0 EFABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C ZINC000032589420 472445072 /nfs/dbraw/zinc/44/50/72/472445072.db2.gz AYWZWHWFTMZAMO-UHFFFAOYSA-N 0 0 348.424 2.506 40 0 EFABRN C[C@@H](CO)NC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000097100510 472445930 /nfs/dbraw/zinc/44/59/30/472445930.db2.gz XCFAUYWEZJEUPW-OIBJUYFYSA-N 0 0 344.255 2.989 40 0 EFABRN C[C@@H](CO)NC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000097100505 472446074 /nfs/dbraw/zinc/44/60/74/472446074.db2.gz XCFAUYWEZJEUPW-XVKPBYJWSA-N 0 0 344.255 2.989 40 0 EFABRN COc1ccccc1CNC(=O)[C@@H](C)n1cc(Br)cn1 ZINC000032611637 472446396 /nfs/dbraw/zinc/44/63/96/472446396.db2.gz PFDMXTAZPVWZJP-SNVBAGLBSA-N 0 0 338.205 2.532 40 0 EFABRN Cc1cc(C)cc(OCn2ccc(C(=O)NCc3ccccn3)n2)c1 ZINC000032611010 472446673 /nfs/dbraw/zinc/44/66/73/472446673.db2.gz WNIFNPZMJRQZPI-UHFFFAOYSA-N 0 0 336.395 2.861 40 0 EFABRN C[C@@H](NC(=O)N1CCCN(C(=O)C2CC2)CC1)[C@H](C)c1ccccc1 ZINC000097102959 472446817 /nfs/dbraw/zinc/44/68/17/472446817.db2.gz LFGHMBIVFQGOBP-JKSUJKDBSA-N 0 0 343.471 2.833 40 0 EFABRN C[C@@H](CNC(=O)N1CCCN(C(=O)C2CC2)CC1)c1ccsc1 ZINC000097102956 472447049 /nfs/dbraw/zinc/44/70/49/472447049.db2.gz BOAFGBWFTFFSCZ-ZDUSSCGKSA-N 0 0 335.473 2.506 40 0 EFABRN O=C(c1ncccc1O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000097102402 472447473 /nfs/dbraw/zinc/44/74/73/472447473.db2.gz JSGHWAYUJJXTEY-HIFRSBDPSA-N 0 0 330.384 2.889 40 0 EFABRN Cc1nccn1-c1cncc(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)n1 ZINC000097104623 472448316 /nfs/dbraw/zinc/44/83/16/472448316.db2.gz XAUKJTGHBUDJAI-APPDUMDISA-N 0 0 327.363 2.644 40 0 EFABRN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000057544787 472449101 /nfs/dbraw/zinc/44/91/01/472449101.db2.gz CHGLLFXAWVPEAH-STQMWFEESA-N 0 0 331.416 2.985 40 0 EFABRN O=c1c2cc3c(cc2ncn1Cc1ccccc1Cl)OCCO3 ZINC000032647337 472449756 /nfs/dbraw/zinc/44/97/56/472449756.db2.gz GPMZBQXOEWXDHM-UHFFFAOYSA-N 0 0 328.755 2.869 40 0 EFABRN O=C(Nc1ccncc1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000045737953 472451446 /nfs/dbraw/zinc/45/14/46/472451446.db2.gz CCVYAUBGABEGGT-UHFFFAOYSA-N 0 0 342.374 2.647 40 0 EFABRN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccccc1N1CCCC1)CS2 ZINC000032678848 472452185 /nfs/dbraw/zinc/45/21/85/472452185.db2.gz BGGXKLGSIMIMBY-MAUKXSAKSA-N 0 0 345.468 2.679 40 0 EFABRN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000097160128 472467704 /nfs/dbraw/zinc/46/77/04/472467704.db2.gz DQKDQJUSVMWBJS-IAGOWNOFSA-N 0 0 338.407 2.934 40 0 EFABRN Clc1cc(CNc2cc(-n3ccnc3)ncn2)cc2c1OCCO2 ZINC000077189248 472469020 /nfs/dbraw/zinc/46/90/20/472469020.db2.gz QLGBGUMYCAYXRR-UHFFFAOYSA-N 0 0 343.774 2.699 40 0 EFABRN Cc1ccc(NC(=O)CNC(=O)[C@H](C)Oc2cccnc2)c(Cl)c1 ZINC000117634547 472472118 /nfs/dbraw/zinc/47/21/18/472472118.db2.gz XIADETUGKKCNOJ-LBPRGKRZSA-N 0 0 347.802 2.566 40 0 EFABRN Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc3nccn3c2)cc1 ZINC000057778379 472473811 /nfs/dbraw/zinc/47/38/11/472473811.db2.gz KBXPJWNBBDOCKP-UHFFFAOYSA-N 0 0 345.362 2.551 40 0 EFABRN COc1ccccc1-n1cccc1CN(CCO)Cc1cccnc1 ZINC000057796969 472475706 /nfs/dbraw/zinc/47/57/06/472475706.db2.gz MQMWFUGESQQQJO-UHFFFAOYSA-N 0 0 337.423 2.875 40 0 EFABRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1 ZINC000032887718 472476134 /nfs/dbraw/zinc/47/61/34/472476134.db2.gz CFMDBMANELFKIX-IUODEOHRSA-N 0 0 331.395 2.831 40 0 EFABRN Cc1sc2ncn(CCC(=O)N3CCCCCC3)c(=O)c2c1C ZINC000032895400 472476464 /nfs/dbraw/zinc/47/64/64/472476464.db2.gz LCUCNELACWLVCT-UHFFFAOYSA-N 0 0 333.457 2.868 40 0 EFABRN CC[C@@H]1CCCCN1C(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 ZINC000032887720 472476694 /nfs/dbraw/zinc/47/66/94/472476694.db2.gz CFMDBMANELFKIX-SWLSCSKDSA-N 0 0 331.395 2.831 40 0 EFABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000045865991 472477528 /nfs/dbraw/zinc/47/75/28/472477528.db2.gz ZTXYZHRCBPJKBV-UHFFFAOYSA-N 0 0 339.438 2.508 40 0 EFABRN CC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(F)cc2F)c1 ZINC000032901661 472478137 /nfs/dbraw/zinc/47/81/37/472478137.db2.gz JAMGTDGIZVJBGR-UHFFFAOYSA-N 0 0 332.306 2.536 40 0 EFABRN CCOCCCNC(=O)c1cccc(C)c1NC(=O)c1ccco1 ZINC000032906322 472479535 /nfs/dbraw/zinc/47/95/35/472479535.db2.gz YVJCMSNXFFRBOK-UHFFFAOYSA-N 0 0 330.384 2.997 40 0 EFABRN CC(C)[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1)N1CCOCC1 ZINC000032935163 472482130 /nfs/dbraw/zinc/48/21/30/472482130.db2.gz KCIGOPNXHPDBNR-JZLODUJNSA-N 0 0 336.863 2.826 40 0 EFABRN Cc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000032929656 472482589 /nfs/dbraw/zinc/48/25/89/472482589.db2.gz KVBZSRLASJENMH-HNNXBMFYSA-N 0 0 331.437 2.961 40 0 EFABRN C[C@]1(C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CCCS1 ZINC000097231411 472484673 /nfs/dbraw/zinc/48/46/73/472484673.db2.gz LBFOJROVMVGEQS-VQIMIIECSA-N 0 0 346.496 2.622 40 0 EFABRN NC(=O)c1csc(CNc2nnc(Cc3ccccc3F)o2)c1 ZINC000097231688 472484806 /nfs/dbraw/zinc/48/48/06/472484806.db2.gz SBPWEQSOYWDSCN-UHFFFAOYSA-N 0 0 332.360 2.572 40 0 EFABRN C[S@](=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000097234432 472485173 /nfs/dbraw/zinc/48/51/73/472485173.db2.gz IPSJTHLEJXOTJC-VOIUYBSRSA-N 0 0 346.456 2.584 40 0 EFABRN Cc1ccc(F)cc1CN1CCCN(C(=O)c2ccncc2)CC1 ZINC000097233864 472485231 /nfs/dbraw/zinc/48/52/31/472485231.db2.gz CJXWMYMCJSAXCO-UHFFFAOYSA-N 0 0 327.403 2.877 40 0 EFABRN C[C@@H](Cc1ccc(F)cc1)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000097232186 472485370 /nfs/dbraw/zinc/48/53/70/472485370.db2.gz FJEHUEKDKTWWQE-ZDUSSCGKSA-N 0 0 336.432 2.918 40 0 EFABRN C[C@H](NC(=O)COC(C)(C)C)[C@H](O)c1ccc(Br)cc1 ZINC000097233131 472485418 /nfs/dbraw/zinc/48/54/18/472485418.db2.gz SZELPBCTOKZEBC-HZMBPMFUSA-N 0 0 344.249 2.802 40 0 EFABRN C[C@@](O)(CC(=O)NC[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000097236744 472485774 /nfs/dbraw/zinc/48/57/74/472485774.db2.gz KGSDHYCJFZHMCG-FUHWJXTLSA-N 0 0 333.815 2.787 40 0 EFABRN O=C1[C@H](Sc2ncnc3[nH]cnc32)CCCN1Cc1ccccc1 ZINC000089689771 472487155 /nfs/dbraw/zinc/48/71/55/472487155.db2.gz BKVBWORSRSHMNM-CYBMUJFWSA-N 0 0 339.424 2.636 40 0 EFABRN COc1cc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)ccn1 ZINC000045956908 472490962 /nfs/dbraw/zinc/49/09/62/472490962.db2.gz XSIJQTOFNXMPHA-UHFFFAOYSA-N 0 0 346.330 2.996 40 0 EFABRN COc1cccc(-c2cc(N[C@H]3CCCSC3)n(CCO)n2)c1 ZINC000097371036 472492423 /nfs/dbraw/zinc/49/24/23/472492423.db2.gz OBOBUSNKNYQLIP-AWEZNQCLSA-N 0 0 333.457 2.859 40 0 EFABRN Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1 ZINC000097376008 472492916 /nfs/dbraw/zinc/49/29/16/472492916.db2.gz QCRHFVWBGUPBEP-DLBZAZTESA-N 0 0 338.473 2.818 40 0 EFABRN COCC[C@H](NC(=O)N1CC[C@@H]([C@@H](C)O)C1)c1ccc(Cl)cc1 ZINC000097372863 472493632 /nfs/dbraw/zinc/49/36/32/472493632.db2.gz FXGSESLJFSUTFC-XPKDYRNWSA-N 0 0 340.851 2.830 40 0 EFABRN CO[C@@H](CNS(=O)(=O)c1ccc(N)cc1)c1ccccc1Cl ZINC000097376020 472493829 /nfs/dbraw/zinc/49/38/29/472493829.db2.gz BQEVXWIFXCESSJ-HNNXBMFYSA-N 0 0 340.832 2.588 40 0 EFABRN CO[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1 ZINC000097378504 472494393 /nfs/dbraw/zinc/49/43/93/472494393.db2.gz FAKCLZBBUQWOEM-IXDOHACOSA-N 0 0 336.407 2.770 40 0 EFABRN CCc1nc(CCNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)sc1C ZINC000097378847 472494425 /nfs/dbraw/zinc/49/44/25/472494425.db2.gz SQDUAMRTDKUDCE-UKRRQHHQSA-N 0 0 337.489 2.813 40 0 EFABRN Cc1nnc(CCC[S@](=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000097379547 472494477 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O=S(=O)(Cc1ccccc1)N1CCC(Nc2ncccc2F)CC1 ZINC000096460543 473433613 /nfs/dbraw/zinc/43/36/13/473433613.db2.gz AKUFWHQLOLUJHQ-UHFFFAOYSA-N 0 0 349.431 2.627 40 0 EFABRN CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1S(C)(=O)=O ZINC000096461276 473433902 /nfs/dbraw/zinc/43/39/02/473433902.db2.gz LHFCYRMRCCKZRD-CABCVRRESA-N 0 0 347.411 2.996 40 0 EFABRN CCn1cc(C(=O)NCCCNc2ccc(C)cn2)c(C(C)C)n1 ZINC000096461204 473433993 /nfs/dbraw/zinc/43/39/93/473433993.db2.gz NYSHCUQGYKOGGZ-UHFFFAOYSA-N 0 0 329.448 2.962 40 0 EFABRN CC(C)Cn1ccnc1CNC(=O)N1CCN(c2cccs2)CC1 ZINC000096465828 473435038 /nfs/dbraw/zinc/43/50/38/473435038.db2.gz SMERZXQEIYPWJW-UHFFFAOYSA-N 0 0 347.488 2.632 40 0 EFABRN Cc1c(NCC(C)(C)C)cccc1C(=O)NCC1(O)CCOCC1 ZINC000096462563 473435314 /nfs/dbraw/zinc/43/53/14/473435314.db2.gz LNCGTCMMNXUYEJ-UHFFFAOYSA-N 0 0 334.460 2.724 40 0 EFABRN CN(Cc1cccc(OC(F)(F)F)c1)Cc1cc(=O)c(O)co1 ZINC000096470276 473435614 /nfs/dbraw/zinc/43/56/14/473435614.db2.gz KQEUHKWUXNOSNW-UHFFFAOYSA-N 0 0 329.274 2.876 40 0 EFABRN COCCC1(c2nc(-c3cnn4c3nc(C)cc4C)no2)CCC1 ZINC000096471681 473435825 /nfs/dbraw/zinc/43/58/25/473435825.db2.gz BKAGXKHDHVMKGS-UHFFFAOYSA-N 0 0 327.388 2.854 40 0 EFABRN CS(=O)(=O)CCCCSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000096469620 473435963 /nfs/dbraw/zinc/43/59/63/473435963.db2.gz MNDOPUIHQVECPD-UHFFFAOYSA-N 0 0 347.412 2.667 40 0 EFABRN COc1cc(F)c(C(=O)NCc2cn3c(cccc3C)n2)cc1OC ZINC000096470308 473435974 /nfs/dbraw/zinc/43/59/74/473435974.db2.gz VMQJQVWVQMDCJU-UHFFFAOYSA-N 0 0 343.358 2.729 40 0 EFABRN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000096471310 473436047 /nfs/dbraw/zinc/43/60/47/473436047.db2.gz LXWOKKXIHGRTJT-VQIMIIECSA-N 0 0 342.395 2.964 40 0 EFABRN CCc1cc(CNC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)on1 ZINC000096469978 473436322 /nfs/dbraw/zinc/43/63/22/473436322.db2.gz WSMJAAOGFWERHB-ABAIWWIYSA-N 0 0 335.429 2.970 40 0 EFABRN Cc1sc(=O)n(CC(=O)Nc2c(F)cccc2NC2CC2)c1C ZINC000096468141 473436402 /nfs/dbraw/zinc/43/64/02/473436402.db2.gz 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Cc1ccc(CN2CCO[C@@H](c3cc(N(C)C)cc(C)n3)C2)cn1 ZINC000257284623 474932828 /nfs/dbraw/zinc/93/28/28/474932828.db2.gz PDNMOHZSANYRAP-LJQANCHMSA-N 0 0 326.444 2.733 40 0 EFABRN CC(C)c1nnc(CCC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)o1 ZINC000257288312 474935442 /nfs/dbraw/zinc/93/54/42/474935442.db2.gz PTSLSVNCAZHJHB-MRXNPFEDSA-N 0 0 342.443 2.641 40 0 EFABRN Cc1c[nH]nc1[C@H]1CCN(C(=O)c2cc(C)nc3onc(C)c32)C1 ZINC000257291111 474936183 /nfs/dbraw/zinc/93/61/83/474936183.db2.gz QFSLGFCKGULMCL-LBPRGKRZSA-N 0 0 325.372 2.501 40 0 EFABRN C[C@]12CCCCN(C(=O)CCOc3ccccc3)[C@H]1CCC(=O)N2 ZINC000257294315 474936618 /nfs/dbraw/zinc/93/66/18/474936618.db2.gz QTNOHMRZWJTTOJ-LPHOPBHVSA-N 0 0 330.428 2.505 40 0 EFABRN Cc1cc(-c2ccnn2C)nc(C2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000257296161 474937979 /nfs/dbraw/zinc/93/79/79/474937979.db2.gz RBMHCWACCKNFLE-UHFFFAOYSA-N 0 0 341.459 2.938 40 0 EFABRN O=C(NCc1ccnc([C@@H]2CCCOC2)n1)C1CCC(F)(F)CC1 ZINC000257298466 474938372 /nfs/dbraw/zinc/93/83/72/474938372.db2.gz 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339.439 2.838 40 0 EFABRN C=CC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2cccc(C)n2)n1 ZINC000585292880 479310312 /nfs/dbraw/zinc/31/03/12/479310312.db2.gz TWBRNRJALMVRML-OAHLLOKOSA-N 0 0 337.427 3.472 40 0 EFABRN C=CC(=O)N1CCC(Cc2cc(Nc3ncccc3C)ncn2)CC1 ZINC000585292249 479310616 /nfs/dbraw/zinc/31/06/16/479310616.db2.gz ZKLALIYLFCEEPJ-UHFFFAOYSA-N 0 0 337.427 2.891 40 0 EFABRN CO[C@H]1CN(C(=O)/C=C/c2cnn(C)c2)CC[C@@H]1Cc1ccccc1 ZINC000585290654 479310786 /nfs/dbraw/zinc/31/07/86/479310786.db2.gz SEFSCWNOCKTTDV-HKVOBHHDSA-N 0 0 339.439 2.540 40 0 EFABRN C=CC(=O)N1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 ZINC000585293309 479310975 /nfs/dbraw/zinc/31/09/75/479310975.db2.gz ZMPMQLBACZBIBU-LBPRGKRZSA-N 0 0 329.429 2.795 40 0 EFABRN CCO[C@H]1CSC2(CN(S(=O)(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000575402371 479437241 /nfs/dbraw/zinc/43/72/41/479437241.db2.gz BPTPHCIDKOBHCG-CQSZACIVSA-N 0 0 341.498 2.589 40 0 EFABRN COCC[C@H]1CO[C@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)C[C@@H]12 ZINC000575403437 479437293 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CC(C)c1cc(C(N)=O)c(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)s1 ZINC000017068397 471954935 /nfs/dbraw/zinc/95/49/35/471954935.db2.gz NCFGLCFGLPDRKF-KGOITJQVSA-N 0 0 332.425 2.506 40 0 EFABRN CC(C)c1cc(C(N)=O)c(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)s1 ZINC000017068398 471955475 /nfs/dbraw/zinc/95/54/75/471955475.db2.gz NCFGLCFGLPDRKF-FQPOAREZSA-N 0 0 332.425 2.506 40 0 EFABRN COc1ccccc1CCNC(=O)N1CCN(c2ccccc2)CC1 ZINC000017128618 471957145 /nfs/dbraw/zinc/95/71/45/471957145.db2.gz KNUFWIASZMNHLB-UHFFFAOYSA-N 0 0 339.439 2.770 40 0 EFABRN O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1cccnc1 ZINC000017169105 471958809 /nfs/dbraw/zinc/95/88/09/471958809.db2.gz KTGACNMLJJFSBS-UHFFFAOYSA-N 0 0 326.331 2.520 40 0 EFABRN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCCCCC2)c1 ZINC000017321155 471960593 /nfs/dbraw/zinc/96/05/93/471960593.db2.gz RPSXCWLHVNFQPR-UHFFFAOYSA-N 0 0 330.457 2.945 40 0 EFABRN CCS(=O)(=O)N1CCCc2cc(NC(=O)C3CCCC3)ccc21 ZINC000017316343 471960847 /nfs/dbraw/zinc/96/08/47/471960847.db2.gz 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Cc1ccccc1CC(=O)N1CC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000019237047 471978947 /nfs/dbraw/zinc/97/89/47/471978947.db2.gz PDNMWSZKAHUBPI-MRXNPFEDSA-N 0 0 334.379 2.956 40 0 EFABRN COc1cccc(-c2nnc(NC(=O)[C@@]3(C)CCCO3)s2)c1OC ZINC000019461239 471980147 /nfs/dbraw/zinc/98/01/47/471980147.db2.gz DATJWKDZEKFQCA-MRXNPFEDSA-N 0 0 349.412 2.730 40 0 EFABRN c1cc(-c2cnc(N3CCSCC3)nc2[C@H]2CCCO2)ccn1 ZINC000019405711 471980297 /nfs/dbraw/zinc/98/02/97/471980297.db2.gz FPHSMGDMDPSMDY-OAHLLOKOSA-N 0 0 328.441 2.943 40 0 EFABRN O=c1cc([C@@H]2CCCCN2Cc2ccccn2)nc(-c2cccnc2)[nH]1 ZINC000019401725 471980397 /nfs/dbraw/zinc/98/03/97/471980397.db2.gz MXUIQLOZSGDMTG-SFHVURJKSA-N 0 0 347.422 2.954 40 0 EFABRN Cc1nc(N)c2ccc([C@H]3CCN(C(=O)OC(C)(C)C)C3)nc2n1 ZINC000019704869 471982962 /nfs/dbraw/zinc/98/29/62/471982962.db2.gz LTRNZYJGOVZEDA-NSHDSACASA-N 0 0 329.404 2.640 40 0 EFABRN CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2C(=O)c1nccc2ccccc21 ZINC000019713207 471984206 /nfs/dbraw/zinc/98/42/06/471984206.db2.gz OWWDWTYDNZYAFD-DLBZAZTESA-N 0 0 337.423 2.850 40 0 EFABRN C[C@@H](CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C ZINC000019719944 471984579 /nfs/dbraw/zinc/98/45/79/471984579.db2.gz MQOJIJPCRNXALD-INIZCTEOSA-N 0 0 340.471 2.826 40 0 EFABRN O=C(CSc1nnc(Cc2ccccc2)[nH]1)NCc1ccccc1 ZINC000033665014 471985224 /nfs/dbraw/zinc/98/52/24/471985224.db2.gz LESHTLVBWLDCKT-UHFFFAOYSA-N 0 0 338.436 2.804 40 0 EFABRN OCCN(C(=S)Oc1ccc2nccnc2c1)c1ccccc1 ZINC000033651388 471985355 /nfs/dbraw/zinc/98/53/55/471985355.db2.gz NKZHNJKFEORKFX-UHFFFAOYSA-N 0 0 325.393 2.792 40 0 EFABRN CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)cc1 ZINC000020154040 471986437 /nfs/dbraw/zinc/98/64/37/471986437.db2.gz NMZQHRIDUACEEO-UHFFFAOYSA-N 0 0 325.412 2.920 40 0 EFABRN CCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(N)c2)c1 ZINC000020154100 471986695 /nfs/dbraw/zinc/98/66/95/471986695.db2.gz ULWHYHBVYKWFJE-UHFFFAOYSA-N 0 0 341.411 2.756 40 0 EFABRN O=C(NCc1ccccn1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000053248732 471987788 /nfs/dbraw/zinc/98/77/88/471987788.db2.gz 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/nfs/dbraw/zinc/99/46/49/471994649.db2.gz LOBCEFLWPMOXEJ-DIFFPNOSSA-N 0 0 332.473 2.761 40 0 EFABRN COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000035424993 471996405 /nfs/dbraw/zinc/99/64/05/471996405.db2.gz RPBQZTWKXDKPTP-HNNXBMFYSA-N 0 0 346.431 2.950 40 0 biogenic,in-vitro EFABRN NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1Br ZINC000035325486 471996780 /nfs/dbraw/zinc/99/67/80/471996780.db2.gz ADUYMRJXCWIFPX-MRXNPFEDSA-N 0 0 345.240 2.861 40 0 EFABRN COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC(C)C)n2)cn1 ZINC000035425190 471996837 /nfs/dbraw/zinc/99/68/37/471996837.db2.gz WGEUSVPWSRDCMP-HNNXBMFYSA-N 0 0 345.447 2.983 40 0 biogenic,in-vitro EFABRN CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccnc(OCCOC)c2)no1 ZINC000035424802 471996876 /nfs/dbraw/zinc/99/68/76/471996876.db2.gz MELZJDXHESHMIG-AWEZNQCLSA-N 0 0 332.404 2.704 40 0 biogenic,in-vitro EFABRN CCC(C)(C)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000035903698 471997863 /nfs/dbraw/zinc/99/78/63/471997863.db2.gz UUOOYHFTOLMVRN-UHFFFAOYSA-N 0 0 332.425 2.653 40 0 EFABRN Cc1ccc(C)c(N2CCN(CC(=O)Nc3nccs3)CC2)c1 ZINC000036186394 472000519 /nfs/dbraw/zinc/00/05/19/472000519.db2.gz NPSQODAAZKXLKT-UHFFFAOYSA-N 0 0 330.457 2.521 40 0 EFABRN CC(C)COc1cccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000036397233 472001992 /nfs/dbraw/zinc/00/19/92/472001992.db2.gz XCVDDXIGSKJJBJ-KRWDZBQOSA-N 0 0 330.428 2.605 40 0 EFABRN C[C@H](OC(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000036416355 472002297 /nfs/dbraw/zinc/00/22/97/472002297.db2.gz NGKWVPZDNFXGRL-VNHYZAJKSA-N 0 0 347.411 2.698 40 0 EFABRN NC(=O)CSc1nnc(SCCCc2ccccc2)s1 ZINC000036663268 472003026 /nfs/dbraw/zinc/00/30/26/472003026.db2.gz AIXXLKODUCMUPG-UHFFFAOYSA-N 0 0 325.484 2.840 40 0 EFABRN Cc1cc(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c(C)s1 ZINC000021677411 472003530 /nfs/dbraw/zinc/00/35/30/472003530.db2.gz WEOVBGVIANJQHG-MRXNPFEDSA-N 0 0 344.436 2.861 40 0 EFABRN C[C@H]1Nc2ncnn2[C@@H](c2cccs2)[C@H]1C(=O)Nc1ccccc1 ZINC000036701725 472004356 /nfs/dbraw/zinc/00/43/56/472004356.db2.gz GSRTUIYGCDJEQG-UGFHNGPFSA-N 0 0 339.424 2.998 40 0 EFABRN Cc1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1C ZINC000036723234 472005585 /nfs/dbraw/zinc/00/55/85/472005585.db2.gz OGNFZMJWHAMCML-UHFFFAOYSA-N 0 0 347.436 2.596 40 0 EFABRN Cn1cc(C(=O)N2CCc3ccccc3C2)c(=O)c2cc(F)ccc21 ZINC000022236434 472011351 /nfs/dbraw/zinc/01/13/51/472011351.db2.gz RGLNNMRXJUJLHF-UHFFFAOYSA-N 0 0 336.366 2.876 40 0 EFABRN CC[C@H](C)NC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000022273749 472012342 /nfs/dbraw/zinc/01/23/42/472012342.db2.gz NVOGSRVVUGFMRR-ZDUSSCGKSA-N 0 0 334.441 2.521 40 0 EFABRN CN(C)c1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)cn1 ZINC000022420372 472015266 /nfs/dbraw/zinc/01/52/66/472015266.db2.gz BHCYVYBDGVQMJI-UHFFFAOYSA-N 0 0 338.411 2.917 40 0 EFABRN Cc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1 ZINC000022538499 472016623 /nfs/dbraw/zinc/01/66/23/472016623.db2.gz XIFOQVIIKXDYIB-UHFFFAOYSA-N 0 0 339.317 2.964 40 0 EFABRN Cc1cc(Nc2ccc(I)cc2)nc(N)n1 ZINC000038356135 472018726 /nfs/dbraw/zinc/01/87/26/472018726.db2.gz ORMUAOAVOKJFME-UHFFFAOYSA-N 0 0 326.141 2.715 40 0 EFABRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000038753605 472021516 /nfs/dbraw/zinc/02/15/16/472021516.db2.gz HVCXSFHIVAPPPF-CYBMUJFWSA-N 0 0 345.395 2.969 40 0 EFABRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2 ZINC000039266857 472022720 /nfs/dbraw/zinc/02/27/20/472022720.db2.gz DDTCFJYEBXWJSJ-GIQLZXEWSA-N 0 0 344.455 2.959 40 0 EFABRN CCN(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000039985151 472026803 /nfs/dbraw/zinc/02/68/03/472026803.db2.gz QUWAOQLGPAJWIA-UHFFFAOYSA-N 0 0 346.452 2.953 40 0 EFABRN CCN(CC(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000039985148 472026957 /nfs/dbraw/zinc/02/69/57/472026957.db2.gz QUWHNZRMOMQHAX-HNNXBMFYSA-N 0 0 346.452 2.575 40 0 EFABRN O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000039918296 472027315 /nfs/dbraw/zinc/02/73/15/472027315.db2.gz PSSYQZHEUBRMHT-OAHLLOKOSA-N 0 0 326.371 2.538 40 0 EFABRN CCc1nn2c(ncc3c2ccn(CCCO)c3=O)c1-c1ccccc1 ZINC000040387829 472030148 /nfs/dbraw/zinc/03/01/48/472030148.db2.gz KNQZDASEXNCZJE-UHFFFAOYSA-N 0 0 348.406 2.656 40 0 EFABRN Nc1c2c(nn1-c1ccccc1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000040385467 472030515 /nfs/dbraw/zinc/03/05/15/472030515.db2.gz YJHNXSMRTLZXAV-UHFFFAOYSA-N 0 0 338.754 2.909 40 0 EFABRN O=c1c2cnc3ccnn3c2ccn1CCc1c[nH]c2ccc(F)cc12 ZINC000040387588 472030689 /nfs/dbraw/zinc/03/06/89/472030689.db2.gz KRGSJIZOGIWUQA-UHFFFAOYSA-N 0 0 347.353 2.907 40 0 EFABRN C[C@]1(c2ccco2)NC(=O)N(Cc2cc(-c3cccs3)on2)C1=O ZINC000040477575 472033336 /nfs/dbraw/zinc/03/33/36/472033336.db2.gz UBTALRYDOROCEJ-MRXNPFEDSA-N 0 0 343.364 2.963 40 0 EFABRN Fc1cc2ncn(-c3ccc4nnc(C(F)(F)F)n4n3)c2cc1F ZINC000023887712 472039301 /nfs/dbraw/zinc/03/93/01/472039301.db2.gz XKBIGEWDFPXTBN-UHFFFAOYSA-N 0 0 340.215 2.760 40 0 EFABRN CCCCc1noc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 ZINC000040714763 472040789 /nfs/dbraw/zinc/04/07/89/472040789.db2.gz OCWUDEXNYOAJIV-NSHDSACASA-N 0 0 335.433 2.592 40 0 EFABRN Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1ccc(F)cc1)O2 ZINC000040778686 472040893 /nfs/dbraw/zinc/04/08/93/472040893.db2.gz SUXFHCLPFRGHBQ-SFHVURJKSA-N 0 0 328.343 2.540 40 0 EFABRN COc1cccc([C@@H](C)NC(=O)[C@@H](C)n2cc3c(n2)c(C)nn3C)c1 ZINC000040715026 472040981 /nfs/dbraw/zinc/04/09/81/472040981.db2.gz AIFBAAATAMWAJH-DGCLKSJQSA-N 0 0 341.415 2.525 40 0 EFABRN Cc1ccccc1CNC(=O)c1cc(NC(=O)c2ccco2)n(C)n1 ZINC000040745817 472041006 /nfs/dbraw/zinc/04/10/06/472041006.db2.gz RKDCCLLIUBJBHP-UHFFFAOYSA-N 0 0 338.367 2.504 40 0 EFABRN CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)c3snnc3C)C2)n1 ZINC000040714798 472041072 /nfs/dbraw/zinc/04/10/72/472041072.db2.gz RDZJJLVMRPAGLX-GXSJLCMTSA-N 0 0 335.433 2.763 40 0 EFABRN Cc1nnsc1C(=O)N1CCCC[C@H]1c1nc(CC(C)C)no1 ZINC000040714942 472041269 /nfs/dbraw/zinc/04/12/69/472041269.db2.gz DGDAHQIYVVEPRP-NSHDSACASA-N 0 0 335.433 2.795 40 0 EFABRN COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000040946007 472042211 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CCOc1ccc(CNS(=O)(=O)C[C@H]2CCCCO2)cc1Cl ZINC000330543372 311321399 /nfs/dbraw/zinc/32/13/99/311321399.db2.gz YXVAWIRDWGSHKA-CYBMUJFWSA-N 0 0 347.864 2.727 40 0 EFABRN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000330902609 311342822 /nfs/dbraw/zinc/34/28/22/311342822.db2.gz PWKZHVPJCVHBKZ-ZETCQYMHSA-N 0 0 343.353 2.840 40 0 EFABRN COCC[C@H](C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1OC ZINC000330923528 311344093 /nfs/dbraw/zinc/34/40/93/311344093.db2.gz SQFBKZUCQCBFOQ-DZGCQCFKSA-N 0 0 327.446 2.587 40 0 EFABRN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC=C(c2ccco2)C1 ZINC000331420087 311376027 /nfs/dbraw/zinc/37/60/27/311376027.db2.gz CXSBQEVZBILTNS-AWEZNQCLSA-N 0 0 328.416 2.746 40 0 EFABRN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1oc2ccc(F)cc2c1C ZINC000331543974 311388186 /nfs/dbraw/zinc/38/81/86/311388186.db2.gz VWUBDZVCTLZENN-TZMCWYRMSA-N 0 0 347.390 2.594 40 0 EFABRN CC1(C)CC[C@@H](NC(=O)c2cnn3cc(Br)cnc23)C1 ZINC000331734955 311414461 /nfs/dbraw/zinc/41/44/61/311414461.db2.gz ULFDKTZCDCJUOX-SNVBAGLBSA-N 0 0 337.221 2.800 40 0 EFABRN CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000332533632 311515582 /nfs/dbraw/zinc/51/55/82/311515582.db2.gz SYGWXFCRNHMMPV-KRWDZBQOSA-N 0 0 335.469 2.605 40 0 EFABRN CC1=C(C)CN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000332697126 311535165 /nfs/dbraw/zinc/53/51/65/311535165.db2.gz VIBGLJCTWZHUML-OAHLLOKOSA-N 0 0 349.381 2.822 40 0 EFABRN CCO[C@H]1C[C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C12CCC2 ZINC000332928583 311549111 /nfs/dbraw/zinc/54/91/11/311549111.db2.gz NYXHGALTUCFKBA-GJZGRUSLSA-N 0 0 332.448 2.646 40 0 EFABRN Cn1ncc2c1nc(N1C[C@@H](c3ccccc3)C3(CCC3)C1)nc2N ZINC000334111096 311701423 /nfs/dbraw/zinc/70/14/23/311701423.db2.gz BWDWRSJSMAEAIE-HNNXBMFYSA-N 0 0 334.427 2.720 40 0 EFABRN CC[C@H]1CCc2nc(NC(=O)NCCc3ccn(C)n3)sc2C1 ZINC000516142527 315655718 /nfs/dbraw/zinc/65/57/18/315655718.db2.gz KXTUNMQWNGYPTD-NSHDSACASA-N 0 0 333.461 2.756 40 0 EFABRN CCOc1cc(-c2nnc3n2CCOC3)cc(OCC)c1OCC ZINC000557703011 318448122 /nfs/dbraw/zinc/44/81/22/318448122.db2.gz UTOZUUAIMNGHDE-UHFFFAOYSA-N 0 0 333.388 2.671 40 0 EFABRN CCc1oc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)cc1C ZINC000574475775 319866032 /nfs/dbraw/zinc/86/60/32/319866032.db2.gz DFVXRLVRORPUBT-INIZCTEOSA-N 0 0 340.423 2.724 40 0 EFABRN Cc1nc(CN(C)C(=O)N[C@H](c2ccccc2)C(F)(F)F)no1 ZINC000097100143 323213379 /nfs/dbraw/zinc/21/33/79/323213379.db2.gz ARAQOWZDNSXWDX-GFCCVEGCSA-N 0 0 328.294 2.823 40 0 EFABRN CN(CC[NH+](C)C)C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000097100515 323213384 /nfs/dbraw/zinc/21/33/84/323213384.db2.gz FVUOGHZGXZVSTN-LBPRGKRZSA-N 0 0 339.308 2.771 40 0 EFABRN CC[C@](NC(=O)c1ccncc1Cl)(C(=O)OC)c1ccccc1 ZINC000097212703 323213753 /nfs/dbraw/zinc/21/37/53/323213753.db2.gz BMUVUEUSIBPOGK-QGZVFWFLSA-N 0 0 332.787 2.943 40 0 EFABRN Cc1ccccc1-c1nc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)no1 ZINC000097228042 323213867 /nfs/dbraw/zinc/21/38/67/323213867.db2.gz SYNHGWURLRTAKH-JSGCOSHPSA-N 0 0 341.333 2.933 40 0 EFABRN CCc1nnc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)o1 ZINC000097232526 323213985 /nfs/dbraw/zinc/21/39/85/323213985.db2.gz CUTXNBJFLWINEK-AWEZNQCLSA-N 0 0 338.415 2.797 40 0 EFABRN CC(C)c1nc(C2(NC(=O)c3cccc4n[nH]nc43)CCCC2)no1 ZINC000097103935 323214030 /nfs/dbraw/zinc/21/40/30/323214030.db2.gz XHYIPQPJWZQTMU-UHFFFAOYSA-N 0 0 340.387 2.664 40 0 EFABRN C[C@@H]1CC[C@H](NC(=O)CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000097235744 323214220 /nfs/dbraw/zinc/21/42/20/323214220.db2.gz ACMCZSPMOOXZMB-MFKMUULPSA-N 0 0 328.334 2.810 40 0 EFABRN O=C([C@@H]1CCOC1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000097238636 323214222 /nfs/dbraw/zinc/21/42/22/323214222.db2.gz VWIOEEIWWLKQGY-OCCSQVGLSA-N 0 0 329.318 2.642 40 0 EFABRN O=C(c1csnn1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000097237888 323214339 /nfs/dbraw/zinc/21/43/39/323214339.db2.gz ABPQOWVEIVMQIT-GFCCVEGCSA-N 0 0 343.330 2.771 40 0 EFABRN COc1ccc(C(=O)N(c2ccccc2)C(C)C)cc1-n1cnnn1 ZINC000097237638 323214381 /nfs/dbraw/zinc/21/43/81/323214381.db2.gz CYRZXZGFKRISCH-UHFFFAOYSA-N 0 0 337.383 2.726 40 0 EFABRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(OC)c(-n2cnnn2)c1 ZINC000097237750 323214394 /nfs/dbraw/zinc/21/43/94/323214394.db2.gz VEAVZYDOZOAHCZ-HIFRSBDPSA-N 0 0 343.431 2.712 40 0 EFABRN CCN1CC[C@@H](NCc2csnn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000097371239 323214420 /nfs/dbraw/zinc/21/44/20/323214420.db2.gz WYFIZOCEUQNUFB-HIFRSBDPSA-N 0 0 342.390 2.881 40 0 EFABRN COC(=O)C1(CNC(=O)Cc2noc3ccccc23)CCCCC1 ZINC000097372100 323214432 /nfs/dbraw/zinc/21/44/32/323214432.db2.gz GHLYFXREDHETAK-UHFFFAOYSA-N 0 0 330.384 2.610 40 0 EFABRN Cc1cnc([C@H](NCc2cc(=O)n3ccsc3n2)C2CC2)s1 ZINC000097374414 323214675 /nfs/dbraw/zinc/21/46/75/323214675.db2.gz PWRIIZJXXFFQJL-CYBMUJFWSA-N 0 0 332.454 2.762 40 0 EFABRN CCn1cc(C(=O)N(C)c2cnn(C)c2)c(=O)c2cc(Cl)ccc21 ZINC000097376039 323214703 /nfs/dbraw/zinc/21/47/03/323214703.db2.gz ATBCVIOHWRPLKJ-UHFFFAOYSA-N 0 0 344.802 2.685 40 0 EFABRN O=C(NCc1ccc(Cn2ccnc2)cc1)NC1Cc2ccccc2C1 ZINC000097377158 323214723 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CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1C)C(C)(C)c1ccccc1 ZINC000119256639 323215319 /nfs/dbraw/zinc/21/53/19/323215319.db2.gz ANDPLTZGCQMPTN-OAHLLOKOSA-N 0 0 342.443 2.540 40 0 EFABRN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000124892453 323216690 /nfs/dbraw/zinc/21/66/90/323216690.db2.gz VPPGAJAVOUEEJA-WDEREUQCSA-N 0 0 342.361 2.917 40 0 EFABRN C[C@@H](Nc1cnn(CC(F)(F)F)c1)c1nnnn1-c1ccccc1 ZINC000126331572 323217138 /nfs/dbraw/zinc/21/71/38/323217138.db2.gz VPGGKBPIWYRYSY-SNVBAGLBSA-N 0 0 337.309 2.594 40 0 EFABRN Cn1cccc1[C@@H]1COCCN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000127053089 323217375 /nfs/dbraw/zinc/21/73/75/323217375.db2.gz HDZMPSQSQOTZFA-HNNXBMFYSA-N 0 0 342.424 2.690 40 0 EFABRN Cn1cccc1[C@@H]1COCCN1Cc1noc(-c2ccsc2)n1 ZINC000131991913 323219067 /nfs/dbraw/zinc/21/90/67/323219067.db2.gz MPMZZBILOBKRFR-AWEZNQCLSA-N 0 0 330.413 2.710 40 0 EFABRN Cc1cc(C)n2c(CN[C@@H](C[S@](C)=O)c3ccccc3)cnc2n1 ZINC000154728566 323220633 /nfs/dbraw/zinc/22/06/33/323220633.db2.gz ANZOMTBGALVIJL-BXKMTCNYSA-N 0 0 342.468 2.556 40 0 EFABRN Cc1cc(C)n2c(CN[C@@H](C[S@@](C)=O)c3ccccc3)cnc2n1 ZINC000154728784 323220647 /nfs/dbraw/zinc/22/06/47/323220647.db2.gz ANZOMTBGALVIJL-XDHUDOTRSA-N 0 0 342.468 2.556 40 0 EFABRN O=C(CC1CCCCC1)NCCNC(=O)c1c(F)ccc(F)c1F ZINC000184698295 323372264 /nfs/dbraw/zinc/37/22/64/323372264.db2.gz NYYUBVHBMUDDMB-UHFFFAOYSA-N 0 0 342.361 2.920 40 0 EFABRN O=C(NCc1ccc(Br)cc1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000187507627 323423139 /nfs/dbraw/zinc/42/31/39/323423139.db2.gz YQWHRYKRFMDKRU-MCIONIFRSA-N 0 0 339.233 2.816 40 0 EFABRN CO[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC[C@@H]1C ZINC000187646289 323425169 /nfs/dbraw/zinc/42/51/69/323425169.db2.gz JRXRVEOOWUMUAJ-RLFYNMQTSA-N 0 0 342.443 3.000 40 0 EFABRN COC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1 ZINC000188340174 323433409 /nfs/dbraw/zinc/43/34/09/323433409.db2.gz LCZODBHGUWHQLK-UHFFFAOYSA-N 0 0 338.285 2.817 40 0 EFABRN COc1cnccc1[C@@H](C)NC(=O)NC[C@@H](C)c1c(C)noc1C ZINC000190029751 323454588 /nfs/dbraw/zinc/45/45/88/323454588.db2.gz CDHSMKWAFXVORB-GHMZBOCLSA-N 0 0 332.404 2.859 40 0 EFABRN COc1ccccc1C1(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CCC1 ZINC000191040345 323463678 /nfs/dbraw/zinc/46/36/78/323463678.db2.gz DUHRZZGCESXXAG-QGPMSJSTSA-N 0 0 344.455 2.984 40 0 EFABRN C[C@@H](O)[C@H]1CCN(C(=O)NCCOc2cccc(Cl)c2Cl)C1 ZINC000195560184 323529145 /nfs/dbraw/zinc/52/91/45/323529145.db2.gz PPASLEAWEHVYFN-MNOVXSKESA-N 0 0 347.242 2.785 40 0 EFABRN O=C(NCCCc1nnc2ccccn21)c1cccnc1C(F)(F)F ZINC000195578032 323529877 /nfs/dbraw/zinc/52/98/77/323529877.db2.gz LKANZZRXTWRZEG-UHFFFAOYSA-N 0 0 349.316 2.506 40 0 EFABRN CN(C)c1ncccc1CNC(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000195574696 323530115 /nfs/dbraw/zinc/53/01/15/323530115.db2.gz IXJZZSRKBVUBTE-HNNXBMFYSA-N 0 0 344.390 2.610 40 0 EFABRN CC(=O)NC(C)(C)c1noc([C@@H]2CCN(c3ccccc3)[C@@H]2C)n1 ZINC000252506084 323531584 /nfs/dbraw/zinc/53/15/84/323531584.db2.gz VXXNWJUTFLKMAE-IUODEOHRSA-N 0 0 328.416 2.823 40 0 EFABRN Cc1nc2ccccc2n1C1CCN(c2ccc3nncn3n2)CC1 ZINC000296794736 323626012 /nfs/dbraw/zinc/62/60/12/323626012.db2.gz OMRIEHNEKRMSOK-UHFFFAOYSA-N 0 0 333.399 2.624 40 0 EFABRN CC1(C)CN(C(=O)Nc2ccn3ccnc3c2)C[C@@H](C(F)(F)F)O1 ZINC000296955557 323698521 /nfs/dbraw/zinc/69/85/21/323698521.db2.gz CKQJGZHQKGYRRW-NSHDSACASA-N 0 0 342.321 2.908 40 0 EFABRN CCOCCC1(CNS(=O)(=O)N2CCCCCC2)CCCC1 ZINC000390833154 323779789 /nfs/dbraw/zinc/77/97/89/323779789.db2.gz CXBTVCQBPSSGOG-UHFFFAOYSA-N 0 0 332.510 2.684 40 0 EFABRN COc1ccc(Br)cc1-c1noc(-c2ccnn2C)n1 ZINC000390832994 323779849 /nfs/dbraw/zinc/77/98/49/323779849.db2.gz AGZXFRLKPSUDBX-UHFFFAOYSA-N 0 0 335.161 2.908 40 0 EFABRN COC1([C@H](C)NC(=O)C2CCN(C(=O)c3ccccc3)CC2)CCC1 ZINC000583071111 324732483 /nfs/dbraw/zinc/73/24/83/324732483.db2.gz VRXDCXWJXAFDKL-HNNXBMFYSA-N 0 0 344.455 2.613 40 0 EFABRN CC(C)Cn1ccnc1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000064659736 462715925 /nfs/dbraw/zinc/71/59/25/462715925.db2.gz SDDYVIPBTBCVNT-UHFFFAOYSA-N 0 0 332.370 2.752 40 0 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COc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1Cl ZINC000271538785 474580845 /nfs/dbraw/zinc/58/08/45/474580845.db2.gz CXPKNZKSXZMKLJ-XHDPSFHLSA-N 0 0 347.864 2.831 40 0 EFABRN O[C@@H](c1nccn1C[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000184749057 474600500 /nfs/dbraw/zinc/60/05/00/474600500.db2.gz WJBMVUHBPWMXNZ-IAGOWNOFSA-N 0 0 330.334 2.977 40 0 EFABRN CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Sc2nncn2C)cc1 ZINC000278024770 474600618 /nfs/dbraw/zinc/60/06/18/474600618.db2.gz LECKPVPXPXYHEN-HUUCEWRRSA-N 0 0 346.456 2.966 40 0 EFABRN COc1ccccc1C1(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)CCC1 ZINC000251544417 474639028 /nfs/dbraw/zinc/63/90/28/474639028.db2.gz DUHRZZGCESXXAG-YXJHDRRASA-N 0 0 344.455 2.984 40 0 EFABRN COCc1nsc(N2CCN([C@H](C)c3cccc(OC)c3)CC2)n1 ZINC000267333046 474650813 /nfs/dbraw/zinc/65/08/13/474650813.db2.gz CDLGRBAWXSZJCA-CYBMUJFWSA-N 0 0 348.472 2.576 40 0 EFABRN CN(C)c1ccc([P@@](=O)(C2=C(O)CCC2)[C@H]2CCCC2=O)cc1 ZINC000252444093 474659168 /nfs/dbraw/zinc/65/91/68/474659168.db2.gz 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479304669 /nfs/dbraw/zinc/30/46/69/479304669.db2.gz QKFFCSSNIIUGTA-GFCCVEGCSA-N 0 0 345.468 2.862 40 0 EFABRN CC(=O)N[C@H]1CCCN(c2ccnc(C)n2)[C@H]1Cc1ccc(F)cc1 ZINC000585275156 479304748 /nfs/dbraw/zinc/30/47/48/479304748.db2.gz YMAMOUFAHZFJFI-ROUUACIJSA-N 0 0 342.418 2.640 40 0 EFABRN CO[C@@]1(COc2cccc(C)c2)CCCN(C(=O)c2cnco2)C1 ZINC000585275001 479304908 /nfs/dbraw/zinc/30/49/08/479304908.db2.gz SWQZHUUOUBOJHZ-SFHVURJKSA-N 0 0 330.384 2.683 40 0 EFABRN COc1cccc(CC(=O)N2CC[C@H](O)[C@H](Cc3ccccc3)C2)c1 ZINC000585271544 479305105 /nfs/dbraw/zinc/30/51/05/479305105.db2.gz HGSOQLLXHFLKFW-QUCCMNQESA-N 0 0 339.435 2.690 40 0 EFABRN CO[C@]1(COc2ccccc2C)CCCN(C(=O)c2cnco2)C1 ZINC000585274852 479305244 /nfs/dbraw/zinc/30/52/44/479305244.db2.gz PMOKOZLSWQETDB-GOSISDBHSA-N 0 0 330.384 2.683 40 0 EFABRN COc1cccc(C(=O)N2CC[C@@](O)(COc3ccccc3C)C2)c1 ZINC000585275858 479305294 /nfs/dbraw/zinc/30/52/94/479305294.db2.gz HRRJPNAHOVDINW-FQEVSTJZSA-N 0 0 341.407 2.660 40 0 EFABRN O=C(C1CCCCC1)N1CCO[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000585277249 479305755 /nfs/dbraw/zinc/30/57/55/479305755.db2.gz LGRJYAPEXBIKLK-IBGZPJMESA-N 0 0 335.419 2.538 40 0 EFABRN CO[C@]1(COc2ccccc2C)CCCN(C(=O)c2conc2C)C1 ZINC000585275886 479306149 /nfs/dbraw/zinc/30/61/49/479306149.db2.gz GFVRVECYFYCJTC-LJQANCHMSA-N 0 0 344.411 2.992 40 0 EFABRN CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)c2cc(C)no2)C1 ZINC000585277129 479306156 /nfs/dbraw/zinc/30/61/56/479306156.db2.gz LQQQXNSGCVMOBN-SFHVURJKSA-N 0 0 330.384 2.602 40 0 EFABRN CO[C@H]1CN(C(=O)COc2cccnc2)CC[C@@H]1Cc1ccccc1 ZINC000585278849 479306627 /nfs/dbraw/zinc/30/66/27/479306627.db2.gz HSDGYTFFSHBCQD-MJGOQNOKSA-N 0 0 340.423 2.567 40 0 EFABRN CO[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)[C@H]1Cc1ccccc1 ZINC000585277920 479307099 /nfs/dbraw/zinc/30/70/99/479307099.db2.gz QUDBFVPZLSBKKI-IRXDYDNUSA-N 0 0 326.396 2.650 40 0 EFABRN CO[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[C@@H]1Cc1ccccc1F ZINC000585278756 479307191 /nfs/dbraw/zinc/30/71/91/479307191.db2.gz 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479308584 /nfs/dbraw/zinc/30/85/84/479308584.db2.gz GGLLOISUMQHCSK-BLLLJJGKSA-N 0 0 325.840 2.733 40 0 EFABRN Cc1ccc(-c2cc(C(=O)N3CC[C@@]4(CCCO4)C(=O)C3)no2)cc1 ZINC000585288437 479309188 /nfs/dbraw/zinc/30/91/88/479309188.db2.gz AITPKWXNUFIKAK-IBGZPJMESA-N 0 0 340.379 2.614 40 0 EFABRN CO[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1C ZINC000585289361 479310126 /nfs/dbraw/zinc/31/01/26/479310126.db2.gz QFXYHSRKKYDYDT-RXOIRPBWSA-N 0 0 339.439 2.838 40 0 EFABRN O=C(C=Cc1c[nH]cn1)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585289923 479310984 /nfs/dbraw/zinc/31/09/84/479310984.db2.gz XSKLLQRGXPCABW-SCYVGKGRSA-N 0 0 345.830 2.528 40 0 EFABRN COc1cc(C)nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000603821382 479432054 /nfs/dbraw/zinc/43/20/54/479432054.db2.gz IFWCAOFDANCSQE-CQSZACIVSA-N 0 0 327.384 2.906 40 0 EFABRN CC(C)CCC(=O)N1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000575403240 479438377 /nfs/dbraw/zinc/43/83/77/479438377.db2.gz GADBPPFJHLKEJJ-KRWDZBQOSA-N 0 0 332.444 2.794 40 0 EFABRN 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ZINC000225952441 242079876 /nfs/dbraw/zinc/07/98/76/242079876.db2.gz VQIPCCQHCCEABQ-CQSZACIVSA-N 0 0 346.880 2.627 40 0 EFABRN CCS(=O)(=O)Nc1ccc(C(=O)N(C)c2ccc(OC)cc2)cc1 ZINC000225964148 242081790 /nfs/dbraw/zinc/08/17/90/242081790.db2.gz MGUYNBYRPHRVDE-UHFFFAOYSA-N 0 0 348.424 2.733 40 0 EFABRN CCN(CC)C(=O)Cn1ccc(=O)c2cc(Br)ccc21 ZINC000225729656 242008383 /nfs/dbraw/zinc/00/83/83/242008383.db2.gz QZZHZZPLFLYFLC-UHFFFAOYSA-N 0 0 337.217 2.632 40 0 EFABRN CCC(C)(C)NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000225737987 242011978 /nfs/dbraw/zinc/01/19/78/242011978.db2.gz PLBJOUAYNUTWAD-UHFFFAOYSA-N 0 0 340.489 2.846 40 0 EFABRN Nc1ccc2c(ncnc2NCc2nccn2CCc2ccccc2)n1 ZINC000225750695 242016236 /nfs/dbraw/zinc/01/62/36/242016236.db2.gz AJTNRZXNJPBXOJ-UHFFFAOYSA-N 0 0 345.410 2.658 40 0 EFABRN Cc1nc(C)c(CCNC(=O)NC[C@H](O)c2cc(C)cc(C)c2)s1 ZINC000225757945 242020588 /nfs/dbraw/zinc/02/05/88/242020588.db2.gz PGVSKMUWMIORDC-INIZCTEOSA-N 0 0 347.484 2.952 40 0 EFABRN 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339.302 2.995 40 0 EFABRN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NCc1cccnc1 ZINC000226851722 242116782 /nfs/dbraw/zinc/11/67/82/242116782.db2.gz AKHXEHIZQDNAIZ-OAHLLOKOSA-N 0 0 336.395 2.659 40 0 EFABRN Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NCc1ccco1 ZINC000226851806 242117817 /nfs/dbraw/zinc/11/78/17/242117817.db2.gz NLWGGTLEPRJJCG-AWEZNQCLSA-N 0 0 325.368 2.857 40 0 EFABRN C[C@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)Nc1ccon1 ZINC000227152498 242123295 /nfs/dbraw/zinc/12/32/95/242123295.db2.gz DEVJEHFVOFGXKM-JTQLQIEISA-N 0 0 332.747 2.920 40 0 EFABRN C[C@@H]1CN(C(=O)CCCn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 ZINC000227165024 242125469 /nfs/dbraw/zinc/12/54/69/242125469.db2.gz YNRYXBYYDQFOQI-HZPDHXFCSA-N 0 0 327.428 2.966 40 0 EFABRN Cc1cccc(OCc2cn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)nn2)c1 ZINC000227160827 242125732 /nfs/dbraw/zinc/12/57/32/242125732.db2.gz JFPRNEMZNHTHBE-HZPDHXFCSA-N 0 0 342.443 2.670 40 0 EFABRN CCc1nnc(NC(=O)c2cc(OC)nn2-c2ccccc2)s1 ZINC000227162536 242126027 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COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 ZINC000408707316 242555306 /nfs/dbraw/zinc/55/53/06/242555306.db2.gz JBYZAGQQPAPWFL-MRXNPFEDSA-N 0 0 338.407 2.673 40 0 EFABRN CCc1ccc(CNC(=O)C(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000408708388 242555968 /nfs/dbraw/zinc/55/59/68/242555968.db2.gz YTXIVZUBIHTCKY-UHFFFAOYSA-N 0 0 344.842 2.878 40 0 EFABRN CC(C)CNC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000408626083 242556362 /nfs/dbraw/zinc/55/63/62/242556362.db2.gz LOGCJFKSBBJQMA-UHFFFAOYSA-N 0 0 344.436 2.635 40 0 EFABRN CCOc1cc(CO)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409118689 242562501 /nfs/dbraw/zinc/56/25/01/242562501.db2.gz PPVBHYPWALPJEJ-UHFFFAOYSA-N 0 0 342.800 2.999 40 0 EFABRN COc1ccccc1CN(C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000021328740 212221387 /nfs/dbraw/zinc/22/13/87/212221387.db2.gz SRXQLEMVFOISTL-OAHLLOKOSA-N 0 0 342.370 2.919 40 0 EFABRN C[C@H]1CCc2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)cc2C1 ZINC000021110449 212208470 /nfs/dbraw/zinc/20/84/70/212208470.db2.gz NZTBUPGRDJWBCL-NSHDSACASA-N 0 0 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/nfs/dbraw/zinc/05/23/36/217052336.db2.gz FBNBHNPYPUHKPG-HNNXBMFYSA-N 0 0 335.791 2.920 40 0 EFABRN Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1ccoc1 ZINC000078446019 217053420 /nfs/dbraw/zinc/05/34/20/217053420.db2.gz KJLVOFZXIUESMA-HNNXBMFYSA-N 0 0 330.384 2.860 40 0 EFABRN O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H]1CCC(=O)NC1 ZINC000078394907 217046229 /nfs/dbraw/zinc/04/62/29/217046229.db2.gz RFMMEIDBTCIZLR-AWEZNQCLSA-N 0 0 325.368 2.879 40 0 EFABRN CN(c1ccccc1)c1ccccc1NC(=O)N[C@@H]1CCCNC1=O ZINC000078394298 217046277 /nfs/dbraw/zinc/04/62/77/217046277.db2.gz BLHSVNOYCQPEES-MRXNPFEDSA-N 0 0 338.411 2.855 40 0 EFABRN CN(c1ccccc1)c1ccccc1NC(=O)N[C@H]1CCCNC1=O ZINC000078394301 217046298 /nfs/dbraw/zinc/04/62/98/217046298.db2.gz BLHSVNOYCQPEES-INIZCTEOSA-N 0 0 338.411 2.855 40 0 EFABRN CCc1cccc(NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 ZINC000078394830 217046429 /nfs/dbraw/zinc/04/64/29/217046429.db2.gz GLTDXMHFZNUFRX-ZBFHGGJFSA-N 0 0 347.459 2.644 40 0 EFABRN CN(C)c1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000078394419 217046461 /nfs/dbraw/zinc/04/64/61/217046461.db2.gz QMJNPJVCFQNLNX-CQSZACIVSA-N 0 0 347.459 2.739 40 0 EFABRN CC(C)c1nc(C[S@@](=O)CC(=O)NCc2ccccc2)cs1 ZINC000078394660 217046754 /nfs/dbraw/zinc/04/67/54/217046754.db2.gz PYPFOKRHFNCUSG-QFIPXVFZSA-N 0 0 336.482 2.832 40 0 EFABRN CCc1ccc(NC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 ZINC000078394798 217046918 /nfs/dbraw/zinc/04/69/18/217046918.db2.gz WQXYXYZTHYIOLC-GDBMZVCRSA-N 0 0 347.459 2.644 40 0 EFABRN CN(C)C(=O)CNC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000078394972 217047113 /nfs/dbraw/zinc/04/71/13/217047113.db2.gz PDSOEFRCPKUSCS-UHFFFAOYSA-N 0 0 337.779 2.864 40 0 EFABRN CCOC(=O)c1ccc(Sc2n[nH]c(C(F)(F)F)n2)c(N)c1 ZINC000078406748 217048602 /nfs/dbraw/zinc/04/86/02/217048602.db2.gz WTOXJWCPLMNWCY-UHFFFAOYSA-N 0 0 332.307 2.734 40 0 EFABRN CO[C@@H](C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000078555155 217074843 /nfs/dbraw/zinc/07/48/43/217074843.db2.gz JFKXFIUBTGXEFX-MRXNPFEDSA-N 0 0 340.358 2.615 40 0 EFABRN COCCn1c(C)c(C)c2cc(C(=O)NC3=NCCS3)ccc21 ZINC000078481926 217060442 /nfs/dbraw/zinc/06/04/42/217060442.db2.gz IWYPSEMIOXDNED-UHFFFAOYSA-N 0 0 331.441 2.737 40 0 EFABRN COc1ccc(C)cc1C[S@](=O)[C@@H](C)C(=O)NCc1ccccc1 ZINC000078556078 217076021 /nfs/dbraw/zinc/07/60/21/217076021.db2.gz VJNZEJYBZBFGLA-IZHWHUGBSA-N 0 0 345.464 2.957 40 0 EFABRN Cc1ccc(C[S@](=O)CC(=O)NCCc2ccccc2C)cc1 ZINC000078556211 217076077 /nfs/dbraw/zinc/07/60/77/217076077.db2.gz VKWWZGAWMBGNQH-HSZRJFAPSA-N 0 0 329.465 2.911 40 0 EFABRN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)c(Cl)c2)on1 ZINC000078556366 217076180 /nfs/dbraw/zinc/07/61/80/217076180.db2.gz MGBMRZVFJYVYAO-MRVPVSSYSA-N 0 0 346.767 2.576 40 0 EFABRN C[C@@H](c1ccccc1F)[S@@](=O)Cc1cccc(OCC(N)=O)c1 ZINC000078556322 217076328 /nfs/dbraw/zinc/07/63/28/217076328.db2.gz UXXYWSIHPZFHCV-DAOPMYJZSA-N 0 0 335.400 2.700 40 0 EFABRN C[C@H](NC(=O)CSCc1nc(N)c2ccccc2n1)c1ccco1 ZINC000078555656 217076440 /nfs/dbraw/zinc/07/64/40/217076440.db2.gz ZYFRLZOEQAXZBM-NSHDSACASA-N 0 0 342.424 2.916 40 0 EFABRN Cc1nc(CSCc2ccc(S(=O)(=O)N(C)C)o2)cs1 ZINC000078555809 217076474 /nfs/dbraw/zinc/07/64/74/217076474.db2.gz MORNPPAPFKSDLB-UHFFFAOYSA-N 0 0 332.472 2.728 40 0 EFABRN COc1ccc(-c2nc(CS[C@@H]3CCCCNC3=O)no2)cc1 ZINC000078555733 217076539 /nfs/dbraw/zinc/07/65/39/217076539.db2.gz UCVBLTHYHDGIRA-CYBMUJFWSA-N 0 0 333.413 2.647 40 0 EFABRN Cn1cc([C@@H]2C[C@H]2C(=O)OCc2csc(-c3ccccn3)n2)cn1 ZINC000078556590 217077721 /nfs/dbraw/zinc/07/77/21/217077721.db2.gz AEOVRCWIKSINJO-UONOGXRCSA-N 0 0 340.408 2.786 40 0 EFABRN Cc1ccccc1Oc1ccccc1CNC(=O)[C@H]1CCC(=O)NC1 ZINC000078607316 217084888 /nfs/dbraw/zinc/08/48/88/217084888.db2.gz CLRDZLDOPKKMIW-INIZCTEOSA-N 0 0 338.407 2.930 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(Br)cn2)C1 ZINC000078619931 217089079 /nfs/dbraw/zinc/08/90/79/217089079.db2.gz HUYSWXFWFVJFEW-SNVBAGLBSA-N 0 0 343.225 2.660 40 0 EFABRN COC(=O)c1ccc(CCNC(=O)N[C@@H](C)c2csc(C)n2)cc1 ZINC000078663368 217097326 /nfs/dbraw/zinc/09/73/26/217097326.db2.gz MSLHWBUTCWQCOY-NSHDSACASA-N 0 0 347.440 2.841 40 0 EFABRN C[C@H]1CN(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCO1 ZINC000078664865 217098346 /nfs/dbraw/zinc/09/83/46/217098346.db2.gz NCIVWLUFYFGZMH-JSGCOSHPSA-N 0 0 338.379 2.636 40 0 EFABRN C[C@@H]1C[C@@H](C)CN(C(=O)COc2nc(Cc3ccc(F)cc3)no2)C1 ZINC000078672298 217098914 /nfs/dbraw/zinc/09/89/14/217098914.db2.gz GTQNFZAQGAOMQW-CHWSQXEVSA-N 0 0 347.390 2.683 40 0 EFABRN O=C(NCc1ccco1)NCc1nc(Cc2cccc(Cl)c2)no1 ZINC000078774984 217118524 /nfs/dbraw/zinc/11/85/24/217118524.db2.gz VSIJIWFKZRYBLW-UHFFFAOYSA-N 0 0 346.774 2.906 40 0 EFABRN COc1ccccc1Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000078774965 217118530 /nfs/dbraw/zinc/11/85/30/217118530.db2.gz SNCGIJDPLFEJKG-UHFFFAOYSA-N 0 0 344.392 2.740 40 0 EFABRN COc1ccc(Cc2noc(C3CCN(C(=O)N(C)C)CC3)n2)cc1 ZINC000078774465 217118759 /nfs/dbraw/zinc/11/87/59/217118759.db2.gz VIBPIQUUKQYUEX-UHFFFAOYSA-N 0 0 344.415 2.530 40 0 EFABRN Cc1noc(C)c1[C@@H](C)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000078774904 217119046 /nfs/dbraw/zinc/11/90/46/217119046.db2.gz RTXWDNBANBMHSF-SECBINFHSA-N 0 0 347.396 2.897 40 0 EFABRN O=C(CNc1ccccc1S(=O)(=O)C(F)F)NC1CCCCC1 ZINC000078879291 217136135 /nfs/dbraw/zinc/13/61/35/217136135.db2.gz QESKRBMNBRTFNM-UHFFFAOYSA-N 0 0 346.399 2.544 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000078879444 217137638 /nfs/dbraw/zinc/13/76/38/217137638.db2.gz ZLJYYXWMKUVRIS-RNCFNFMXSA-N 0 0 337.247 2.696 40 0 EFABRN Cc1cnn(CCC(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)c1 ZINC000078879680 217137701 /nfs/dbraw/zinc/13/77/01/217137701.db2.gz AIOBFZUOKBTXHZ-GJYPPUQNSA-N 0 0 327.428 2.959 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC000078879436 217137758 /nfs/dbraw/zinc/13/77/58/217137758.db2.gz PCSGYLQTDOICPJ-JTQLQIEISA-N 0 0 326.343 2.704 40 0 EFABRN COC(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)ccc1F ZINC000078883194 217138855 /nfs/dbraw/zinc/13/88/55/217138855.db2.gz 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/nfs/dbraw/zinc/14/79/37/217147937.db2.gz SIANYYLXBZEPEH-JOCHJYFZSA-N 0 0 337.828 2.886 40 0 EFABRN Cc1ccc(CCNC(=O)N[C@@H](c2nccn2C)c2ccccc2)cn1 ZINC000078924685 217149394 /nfs/dbraw/zinc/14/93/94/217149394.db2.gz WGAUZZCTZAMUQM-GOSISDBHSA-N 0 0 349.438 2.755 40 0 EFABRN Cc1ccc2c(CCNC(=O)c3[nH]ncc3Br)c[nH]c2c1 ZINC000078928461 217150334 /nfs/dbraw/zinc/15/03/34/217150334.db2.gz BVISZIDLRHLKTD-UHFFFAOYSA-N 0 0 347.216 2.934 40 0 EFABRN C[C@H](c1ccccn1)N(C)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078926219 217150448 /nfs/dbraw/zinc/15/04/48/217150448.db2.gz JGRZDOGVGXYOEX-KGLIPLIRSA-N 0 0 348.447 2.793 40 0 EFABRN Cc1noc([C@@H](C)OC(=O)c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000078985998 217165437 /nfs/dbraw/zinc/16/54/37/217165437.db2.gz WUBBBAYEIUBCLR-SNVBAGLBSA-N 0 0 329.356 2.669 40 0 EFABRN CN(C)C(=O)N1CCC(C(=O)OCCc2cccc(Cl)c2)CC1 ZINC000078986257 217165605 /nfs/dbraw/zinc/16/56/05/217165605.db2.gz HYUHCKARTBCZOA-UHFFFAOYSA-N 0 0 338.835 2.819 40 0 EFABRN O=C(C[C@H]1C=CCC1)NCCCC(=O)N1CCc2ccccc2C1 ZINC000078987567 217166263 /nfs/dbraw/zinc/16/62/63/217166263.db2.gz DHGPJQHGWOEQKJ-INIZCTEOSA-N 0 0 326.440 2.824 40 0 EFABRN CCS[C@H]1CCCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000078987363 217166478 /nfs/dbraw/zinc/16/64/78/217166478.db2.gz FTFCLEXRASONOD-AWEZNQCLSA-N 0 0 347.546 2.868 40 0 EFABRN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000078992667 217167412 /nfs/dbraw/zinc/16/74/12/217167412.db2.gz OTPIMKIAVVBNLL-DYVFJYSZSA-N 0 0 339.395 2.975 40 0 EFABRN COCC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1Br ZINC000078996379 217168512 /nfs/dbraw/zinc/16/85/12/217168512.db2.gz XFLRYCFOPJHUCX-MNOVXSKESA-N 0 0 330.222 2.758 40 0 EFABRN CCOc1ncc(C(=O)N[C@@H](c2nc(C)no2)C(C)C)cc1Cl ZINC000078996578 217170225 /nfs/dbraw/zinc/17/02/25/217170225.db2.gz CHPCDBUPNFALTE-GFCCVEGCSA-N 0 0 338.795 2.952 40 0 EFABRN O=C(CCn1ccccc1=O)N1CCc2ccc(Br)cc21 ZINC000078998235 217170334 /nfs/dbraw/zinc/17/03/34/217170334.db2.gz KYJFBKHNJMFPRX-UHFFFAOYSA-N 0 0 347.212 2.590 40 0 EFABRN COc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000078979363 217162772 /nfs/dbraw/zinc/16/27/72/217162772.db2.gz SCIVXABMLKAFKJ-HOTGVXAUSA-N 0 0 339.391 2.886 40 0 EFABRN CN(C)C(=O)CCOC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000078984715 217164187 /nfs/dbraw/zinc/16/41/87/217164187.db2.gz QVWCRRZJDRNLGH-CHWSQXEVSA-N 0 0 329.318 2.830 40 0 EFABRN C[C@H](Cn1cncn1)NC(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000079028757 217177863 /nfs/dbraw/zinc/17/78/63/217177863.db2.gz UGSIHIOYVGGVIY-CYBMUJFWSA-N 0 0 346.410 2.618 40 0 EFABRN CCCCN(C)c1ccc(NC(=O)N[C@H](C)Cn2cncn2)cc1 ZINC000079028847 217177984 /nfs/dbraw/zinc/17/79/84/217177984.db2.gz YUHRROSXZYXMDW-CQSZACIVSA-N 0 0 330.436 2.725 40 0 EFABRN COCC(=O)Nc1cccc(NC(=O)CO[C@@H]2CCCC[C@H]2C)c1 ZINC000079038873 217179350 /nfs/dbraw/zinc/17/93/50/217179350.db2.gz GNJFHIMXXZWUPL-CZUORRHYSA-N 0 0 334.416 2.805 40 0 EFABRN C[C@@H]1CCCCN1C(=O)CSc1nccn1Cc1ccccn1 ZINC000079038063 217179613 /nfs/dbraw/zinc/17/96/13/217179613.db2.gz 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ZINC000079094367 217190728 /nfs/dbraw/zinc/19/07/28/217190728.db2.gz IPDPFCLAVHAWCC-UHFFFAOYSA-N 0 0 343.427 2.989 40 0 EFABRN O=C(COC[C@@H]1CCCO1)N(Cc1cscn1)c1ccccc1 ZINC000079092947 217190748 /nfs/dbraw/zinc/19/07/48/217190748.db2.gz WQSVXCIMMCABAI-INIZCTEOSA-N 0 0 332.425 2.872 40 0 EFABRN O=C(CCc1ccsc1)NCc1ccnc(OC2CCOCC2)c1 ZINC000079095912 217191962 /nfs/dbraw/zinc/19/19/62/217191962.db2.gz QVJHIXQCFRJQBE-UHFFFAOYSA-N 0 0 346.452 2.950 40 0 EFABRN CCc1nnc(NC(=O)NCCc2c[nH]c3ccc(OC)cc23)s1 ZINC000079101208 217193387 /nfs/dbraw/zinc/19/33/87/217193387.db2.gz COMIFRYTCGWOCP-UHFFFAOYSA-N 0 0 345.428 2.955 40 0 EFABRN CCN(C)c1cccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)c1 ZINC000079101581 217194708 /nfs/dbraw/zinc/19/47/08/217194708.db2.gz ONVHWFMNRNAIFY-UHFFFAOYSA-N 0 0 346.475 2.913 40 0 EFABRN Cc1noc(CCC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)n1 ZINC000079050561 217183308 /nfs/dbraw/zinc/18/33/08/217183308.db2.gz LFZGKIFBNWDEPT-UHFFFAOYSA-N 0 0 336.342 2.828 40 0 EFABRN Cc1nnc(COc2ccc(NC(=O)c3scnc3C)cc2)o1 ZINC000079306750 217206528 /nfs/dbraw/zinc/20/65/28/217206528.db2.gz KXAOPDDZFXHOIV-UHFFFAOYSA-N 0 0 330.369 2.974 40 0 EFABRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000079335702 217210524 /nfs/dbraw/zinc/21/05/24/217210524.db2.gz NATWLAUVCYAFTP-LLVKDONJSA-N 0 0 340.370 2.952 40 0 EFABRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)COCc2ccccc2)C1 ZINC000079335736 217210833 /nfs/dbraw/zinc/21/08/33/217210833.db2.gz JLKSERWKFVMTFG-MRXNPFEDSA-N 0 0 348.443 2.576 40 0 EFABRN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC000079335733 217210954 /nfs/dbraw/zinc/21/09/54/217210954.db2.gz SHIPXGDXGQTPQQ-CYBMUJFWSA-N 0 0 336.407 2.741 40 0 EFABRN Cc1ccccc1[C@H]1CCN(C(=O)CS(=O)(=O)C2CCCC2)C1 ZINC000079336534 217211019 /nfs/dbraw/zinc/21/10/19/217211019.db2.gz BJOHQNJNBKMPFO-HNNXBMFYSA-N 0 0 335.469 2.668 40 0 EFABRN CO[C@H](C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000079335742 217211021 /nfs/dbraw/zinc/21/10/21/217211021.db2.gz ILNYAZQRINBKAC-HOCLYGCPSA-N 0 0 348.443 2.747 40 0 EFABRN C[C@H](NC(=O)c1csc(-c2nc[nH]n2)n1)c1ccc(F)c(F)c1 ZINC000079336358 217211130 /nfs/dbraw/zinc/21/11/30/217211130.db2.gz JFFPFGBJSIZPPN-ZETCQYMHSA-N 0 0 335.339 2.697 40 0 EFABRN Cc1cccc(NC(=O)C(=O)NCCc2ccc3c(c2)CCO3)c1C ZINC000079350665 217211969 /nfs/dbraw/zinc/21/19/69/217211969.db2.gz BPQTXFJXAGFDOT-UHFFFAOYSA-N 0 0 338.407 2.536 40 0 EFABRN CC1CCC(=CC(=O)N2CCC(NC(=O)c3cccnc3)CC2)CC1 ZINC000079352086 217212503 /nfs/dbraw/zinc/21/25/03/217212503.db2.gz GSRXDPRCCJXGTJ-UHFFFAOYSA-N 0 0 341.455 2.939 40 0 EFABRN CC(C)c1cc(CNC(=O)N[C@H](c2nnc3n2CCC3)C(C)C)on1 ZINC000079349590 217212658 /nfs/dbraw/zinc/21/26/58/217212658.db2.gz LIBHCCMTDQMGTL-HNNXBMFYSA-N 0 0 346.435 2.532 40 0 EFABRN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccnc1OC ZINC000079352126 217212742 /nfs/dbraw/zinc/21/27/42/217212742.db2.gz JKAXUQDUWUVYNM-HNNXBMFYSA-N 0 0 326.396 2.946 40 0 EFABRN C[C@](O)(CNC(=O)N[C@H]1COc2ccccc21)c1ccc(F)cc1F ZINC000079349406 217212792 /nfs/dbraw/zinc/21/27/92/217212792.db2.gz HLSKJGFHUSBHRQ-YJBOKZPZSA-N 0 0 348.349 2.605 40 0 EFABRN CNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(-c3ncc(C)o3)c2)C1 ZINC000079355744 217213101 /nfs/dbraw/zinc/21/31/01/217213101.db2.gz GFQATDZAIDPWPJ-AWEZNQCLSA-N 0 0 342.399 2.640 40 0 EFABRN COCc1cccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000079353556 217213298 /nfs/dbraw/zinc/21/32/98/217213298.db2.gz STFHZVHBNREVRT-INIZCTEOSA-N 0 0 339.439 2.747 40 0 EFABRN C[C@@H](c1cccnc1)N1CCN(C(=O)COc2ccccc2F)CC1 ZINC000079353396 217213427 /nfs/dbraw/zinc/21/34/27/217213427.db2.gz CRVAKLPZGLWBMN-HNNXBMFYSA-N 0 0 343.402 2.505 40 0 EFABRN CO[C@@H](C(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000079352918 217213490 /nfs/dbraw/zinc/21/34/90/217213490.db2.gz WQTOOGCNEDESAC-VQIMIIECSA-N 0 0 339.439 2.675 40 0 EFABRN COCc1cccc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000079353560 217213581 /nfs/dbraw/zinc/21/35/81/217213581.db2.gz STFHZVHBNREVRT-MRXNPFEDSA-N 0 0 339.439 2.747 40 0 EFABRN C[C@@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1nccs1 ZINC000079355160 217213643 /nfs/dbraw/zinc/21/36/43/217213643.db2.gz OANBVZSPDRYNGJ-ZIAGYGMSSA-N 0 0 345.472 2.688 40 0 EFABRN Cc1nc(-c2cnn(C)c2)sc1C(=O)N[C@@H](C)COCC(C)C ZINC000079357889 217214602 /nfs/dbraw/zinc/21/46/02/217214602.db2.gz JYKNOBGXHJCHFG-NSHDSACASA-N 0 0 336.461 2.643 40 0 EFABRN Cc1nn(C)c(=O)c(C(=O)N(Cc2ccc(F)cc2)CC2CC2)c1C ZINC000079360327 217214665 /nfs/dbraw/zinc/21/46/65/217214665.db2.gz IABFQKIRAHRSPF-UHFFFAOYSA-N 0 0 343.402 2.589 40 0 EFABRN O=C1[C@@H](Sc2nc3ncccn3n2)CCCN1c1cccc(F)c1 ZINC000079358860 217215095 /nfs/dbraw/zinc/21/50/95/217215095.db2.gz GRVOUGVEJQGFLD-ZDUSSCGKSA-N 0 0 343.387 2.551 40 0 EFABRN Cc1cccc(C(=O)NCCNC(=O)C(C)(C)c2cccs2)c1 ZINC000079357396 217215254 /nfs/dbraw/zinc/21/52/54/217215254.db2.gz VDVCKCDPMNXBQP-UHFFFAOYSA-N 0 0 330.453 2.880 40 0 EFABRN CCN1CCc2nc(NC(=O)[C@@H](C)c3c(C)nn(C)c3C)sc2C1 ZINC000079320630 217208452 /nfs/dbraw/zinc/20/84/52/217208452.db2.gz QZFOBEPYDVCYEF-JTQLQIEISA-N 0 0 347.488 2.614 40 0 EFABRN Cc1n[nH]c(C)c1NC(=O)CN1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000110641082 220050884 /nfs/dbraw/zinc/05/08/84/220050884.db2.gz DMGAEKJQTUWNHC-SUMWQHHRSA-N 0 0 342.443 2.735 40 0 EFABRN Cn1cc(-c2ncc(C(=O)O[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)s2)cn1 ZINC000110643823 220051111 /nfs/dbraw/zinc/05/11/11/220051111.db2.gz AWUWVGXBACYPJJ-FPMFFAJLSA-N 0 0 347.440 2.904 40 0 EFABRN Cc1nc(C)n(-c2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2)n1 ZINC000079403074 217221131 /nfs/dbraw/zinc/22/11/31/217221131.db2.gz FZODYHSRMSQCHB-UHFFFAOYSA-N 0 0 336.399 2.597 40 0 EFABRN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(-n2cncn2)c1 ZINC000079361556 217215831 /nfs/dbraw/zinc/21/58/31/217215831.db2.gz OVGZYGHOPJXHID-RHSMWYFYSA-N 0 0 328.416 2.592 40 0 EFABRN O=C([O-])C[NH2+][C@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C1CC1 ZINC000079414058 217221789 /nfs/dbraw/zinc/22/17/89/217221789.db2.gz NZWJHYDZDSSJLX-DLBZAZTESA-N 0 0 346.427 2.773 40 0 EFABRN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079413875 217221806 /nfs/dbraw/zinc/22/18/06/217221806.db2.gz JETVSXKGJHMQAX-MRXNPFEDSA-N 0 0 334.416 2.583 40 0 EFABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000016013513 211876803 /nfs/dbraw/zinc/87/68/03/211876803.db2.gz FCJUDJYAKUZXJD-GFCCVEGCSA-N 0 0 330.359 2.934 40 0 EFABRN CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc([S@](C)=O)cc1 ZINC000110666166 220053881 /nfs/dbraw/zinc/05/38/81/220053881.db2.gz QRHBHPVSSYGCDE-NXHTTZLHSA-N 0 0 338.473 2.523 40 0 EFABRN C[C@@H](C(=O)N1CCC[C@H]1c1cccnc1)n1nnc(-c2ccccc2)n1 ZINC000079375283 217217911 /nfs/dbraw/zinc/21/79/11/217217911.db2.gz ZNLVLTQJCRCLAZ-YOEHRIQHSA-N 0 0 348.410 2.660 40 0 EFABRN CC[N@H+](CC(=O)[O-])C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391567 217218748 /nfs/dbraw/zinc/21/87/48/217218748.db2.gz NVSCZJYXUGBGMZ-UHFFFAOYSA-N 0 0 334.416 2.631 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 ZINC000079438665 217225113 /nfs/dbraw/zinc/22/51/13/217225113.db2.gz SRDWIHGJVMGGGW-CYBMUJFWSA-N 0 0 329.393 2.609 40 0 EFABRN O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000079502044 217235815 /nfs/dbraw/zinc/23/58/15/217235815.db2.gz KPZZXCPVRLPIGY-SNPRPXQTSA-N 0 0 346.862 2.675 40 0 EFABRN COCCn1nc(C)c(NC(=O)C[C@H]2OCCc3ccccc32)c1C ZINC000079661955 217247166 /nfs/dbraw/zinc/24/71/66/217247166.db2.gz TZTHIVXOYZSYSO-QGZVFWFLSA-N 0 0 343.427 2.789 40 0 EFABRN [NH3+][C@@H](CCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000079670048 217247646 /nfs/dbraw/zinc/24/76/46/217247646.db2.gz RHOZHSSHUNDYGQ-KRWDZBQOSA-N 0 0 325.364 2.534 40 0 EFABRN C[C@H](NC(=O)c1csnn1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079606651 217243007 /nfs/dbraw/zinc/24/30/07/217243007.db2.gz BNRFXUXDDJTSCL-ZETCQYMHSA-N 0 0 335.776 2.733 40 0 EFABRN COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc2nccn2c1)c1ccccc1 ZINC000079635162 217245622 /nfs/dbraw/zinc/24/56/22/217245622.db2.gz HXKZFDHWCYXDEJ-GUYCJALGSA-N 0 0 337.379 2.615 40 0 EFABRN Cc1ccc(C(=O)NCC2CCN(Cc3csc(C)n3)CC2)n1C ZINC000111042534 220094356 /nfs/dbraw/zinc/09/43/56/220094356.db2.gz WNWSNTRVILOMHF-UHFFFAOYSA-N 0 0 346.500 2.740 40 0 EFABRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N1CCC(n2cncn2)CC1 ZINC000079839591 217257227 /nfs/dbraw/zinc/25/72/27/217257227.db2.gz CRLBLCKPOUPOMS-XIRDDKMYSA-N 0 0 334.464 2.816 40 0 EFABRN O=C(c1cn(Cc2cccnc2)nn1)N1CCC2(CCCCC2)CC1 ZINC000079919332 217264152 /nfs/dbraw/zinc/26/41/52/217264152.db2.gz CFTJDRQKMPNSDN-UHFFFAOYSA-N 0 0 339.443 2.908 40 0 EFABRN CC(C)(O)CNC(=O)CCc1cc(Cl)ccc1Br ZINC000079911811 217264243 /nfs/dbraw/zinc/26/42/43/217264243.db2.gz HJVSHMDVJQSWCT-UHFFFAOYSA-N 0 0 334.641 2.922 40 0 EFABRN CC(C)Oc1cccnc1C(=O)NC[C@H](O)c1c(F)cccc1F ZINC000080030016 217272820 /nfs/dbraw/zinc/27/28/20/217272820.db2.gz FUYSOJGBCNXAOE-ZDUSSCGKSA-N 0 0 336.338 2.610 40 0 EFABRN CN(CCOc1ccccc1)C(=O)Nc1ccccc1[S@](C)=O ZINC000080133436 217282358 /nfs/dbraw/zinc/28/23/58/217282358.db2.gz CSKZDLSVFDDLIW-HSZRJFAPSA-N 0 0 332.425 2.967 40 0 EFABRN COC[C@H]1CCN(C(=O)c2sc(C)c(Br)c2OC)C1 ZINC000080417158 217302661 /nfs/dbraw/zinc/30/26/61/217302661.db2.gz ORLPXUWDHQSKGN-VIFPVBQESA-N 0 0 348.262 2.936 40 0 EFABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC[C@@H]1c1cccn1C ZINC000080440391 217303363 /nfs/dbraw/zinc/30/33/63/217303363.db2.gz AJNZOYJPHNJWGJ-SCLBCKFNSA-N 0 0 343.475 2.853 40 0 EFABRN COc1ccc(-c2nc(CNC(=O)Cc3cc(C)on3)cs2)cc1 ZINC000080433423 217303636 /nfs/dbraw/zinc/30/36/36/217303636.db2.gz OXKOMIVHFZBLHW-UHFFFAOYSA-N 0 0 343.408 2.974 40 0 EFABRN Cc1ccc(CC(=O)NCCNc2ncc(Cl)cc2Cl)cn1 ZINC000080351879 217300282 /nfs/dbraw/zinc/30/02/82/217300282.db2.gz GYKMDNFKZAVNPC-UHFFFAOYSA-N 0 0 339.226 2.863 40 0 EFABRN COC(=O)c1cc(C(=O)NCCc2c(C)[nH]c3ccccc32)ccn1 ZINC000080478787 217307969 /nfs/dbraw/zinc/30/79/69/217307969.db2.gz KDMXACFNHVRBRV-UHFFFAOYSA-N 0 0 337.379 2.630 40 0 EFABRN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCO3)cs1 ZINC000111362945 220146311 /nfs/dbraw/zinc/14/63/11/220146311.db2.gz VQHKSUZWVYTOGI-SNVBAGLBSA-N 0 0 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/nfs/dbraw/zinc/11/63/45/217116345.db2.gz ABPYHTWFJODUMW-GOSISDBHSA-N 0 0 334.379 2.884 40 0 EFABRN Cc1ccc(Sc2ncccc2C(=O)NCC[S@@](C)=O)cc1C ZINC000078764249 217116358 /nfs/dbraw/zinc/11/63/58/217116358.db2.gz RHJHSTQTEWPHTG-QHCPKHFHSA-N 0 0 348.493 2.958 40 0 EFABRN Cc1noc(C)c1CCc1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000078774389 217118313 /nfs/dbraw/zinc/11/83/13/217118313.db2.gz WBOAUFMNAMYBHI-UHFFFAOYSA-N 0 0 338.371 2.786 40 0 EFABRN COc1ccc(-c2noc(CCNC(=O)c3ccsc3)n2)cc1 ZINC000078774130 217118328 /nfs/dbraw/zinc/11/83/28/217118328.db2.gz JSVUCRSDHLDJGQ-UHFFFAOYSA-N 0 0 329.381 2.779 40 0 EFABRN COc1ccc(Cc2noc([C@@H]3C[C@H]3c3cnn(C)c3)n2)cc1OC ZINC000078774606 217118402 /nfs/dbraw/zinc/11/84/02/217118402.db2.gz UCIONEGXBWKRKN-UONOGXRCSA-N 0 0 340.383 2.682 40 0 EFABRN Cc1nc(C)c(CCNC(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000078713604 217106700 /nfs/dbraw/zinc/10/67/00/217106700.db2.gz ANBAVHRNMHGUNQ-UHFFFAOYSA-N 0 0 326.425 2.918 40 0 EFABRN CC(C)Cc1nc(CSCc2nnnn2-c2ccccc2)no1 ZINC000078714476 217107775 /nfs/dbraw/zinc/10/77/75/217107775.db2.gz VZNJWHPVUKADRQ-UHFFFAOYSA-N 0 0 330.417 2.677 40 0 EFABRN COc1ccccc1[C@H](NC(=O)c1nccnc1N)c1ccccc1 ZINC000078727370 217109985 /nfs/dbraw/zinc/10/99/85/217109985.db2.gz HGAZDPDOYOAPDE-MRXNPFEDSA-N 0 0 334.379 2.587 40 0 EFABRN Cc1cc(C)n(Cc2nc(-c3ccc(-n4nc(C)cc4C)nc3)no2)n1 ZINC000078774649 217118779 /nfs/dbraw/zinc/11/87/79/217118779.db2.gz IVHHAUORZLVARR-UHFFFAOYSA-N 0 0 349.398 2.796 40 0 EFABRN COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000078878611 217136027 /nfs/dbraw/zinc/13/60/27/217136027.db2.gz INESNLOIFSDZNA-LSDHHAIUSA-N 0 0 343.379 2.787 40 0 EFABRN CC(=O)NCc1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)o1 ZINC000078878016 217136367 /nfs/dbraw/zinc/13/63/67/217136367.db2.gz OKLJUVHQWRKTRS-UHFFFAOYSA-N 0 0 334.338 2.966 40 0 EFABRN COCc1nc2ccccc2n1C[C@H](O)COc1ccccc1OC ZINC000016903773 211940227 /nfs/dbraw/zinc/94/02/27/211940227.db2.gz NYWXRBFFGYOZEI-AWEZNQCLSA-N 0 0 342.395 2.631 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@@]2(C)CC2(Cl)Cl)C1 ZINC000078879448 217137357 /nfs/dbraw/zinc/13/73/57/217137357.db2.gz ZLJYYXWMKUVRIS-TVQRCGJNSA-N 0 0 337.247 2.696 40 0 EFABRN CCCc1nn(CC(=O)NC2CCCCC2)c(=S)n1-n1cccc1 ZINC000016806803 211936654 /nfs/dbraw/zinc/93/66/54/211936654.db2.gz OTDBBWWLDDVBLW-UHFFFAOYSA-N 0 0 347.488 2.928 40 0 EFABRN Cc1cnn(CCC(=O)N2CCN([C@H](C)c3ccccc3F)CC2)c1 ZINC000078915116 217147365 /nfs/dbraw/zinc/14/73/65/217147365.db2.gz IVBMPECMVABAJY-MRXNPFEDSA-N 0 0 344.434 2.626 40 0 EFABRN CCOC(=O)C(Cl)=C(C)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000016740606 211932848 /nfs/dbraw/zinc/93/28/48/211932848.db2.gz KNNZXRZSTUVXOG-SDNWHVSQSA-N 0 0 349.818 2.930 40 0 EFABRN CCN(C(=O)Cc1ccc(C)nc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000078915285 217147748 /nfs/dbraw/zinc/14/77/48/217147748.db2.gz FCLXHMFXGIYIEA-SFHVURJKSA-N 0 0 337.423 2.587 40 0 EFABRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CC(=O)NCc1ccccn1 ZINC000078923129 217148299 /nfs/dbraw/zinc/14/82/99/217148299.db2.gz 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/nfs/dbraw/zinc/16/64/15/217166415.db2.gz MCCBWXZVMDHQPO-HNNXBMFYSA-N 0 0 335.473 2.603 40 0 EFABRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1c(C)noc1C ZINC000078990801 217167395 /nfs/dbraw/zinc/16/73/95/217167395.db2.gz UZMOSKFPTAFDIU-HNNXBMFYSA-N 0 0 329.400 2.758 40 0 EFABRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cnc(C)s1 ZINC000078996266 217168564 /nfs/dbraw/zinc/16/85/64/217168564.db2.gz NKPOLSVNGHGIIN-SCOAYWHSSA-N 0 0 344.436 2.755 40 0 EFABRN CCOC(=O)c1cnn(Cc2noc(-c3ccoc3)n2)c1C(F)F ZINC000078995670 217168781 /nfs/dbraw/zinc/16/87/81/217168781.db2.gz LASHWDZZIGGEBU-UHFFFAOYSA-N 0 0 338.270 2.689 40 0 EFABRN CSc1ccc(C(=O)NCCC(=O)N(C)Cc2ccccc2)o1 ZINC000078996390 217169194 /nfs/dbraw/zinc/16/91/94/217169194.db2.gz MIOSTWSRZMOGRN-UHFFFAOYSA-N 0 0 332.425 2.780 40 0 EFABRN CCOc1ncc(C(=O)N[C@H](c2nc(C)no2)C(C)C)cc1Cl ZINC000078996581 217170320 /nfs/dbraw/zinc/17/03/20/217170320.db2.gz CHPCDBUPNFALTE-LBPRGKRZSA-N 0 0 338.795 2.952 40 0 EFABRN C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)c1cccc(Cl)c1 ZINC000078978764 217162275 /nfs/dbraw/zinc/16/22/75/217162275.db2.gz YVEMXVZHYUHLFC-JTQLQIEISA-N 0 0 343.857 2.880 40 0 EFABRN CSc1ccc(C)c(C(=O)NCCC(=O)Nc2ccncc2)c1 ZINC000078979455 217162418 /nfs/dbraw/zinc/16/24/18/217162418.db2.gz IORLHKKRSHXZJT-UHFFFAOYSA-N 0 0 329.425 2.871 40 0 EFABRN CC(C)COC(=O)N1CCC(C(=O)Nc2ccc(N(C)C)cn2)CC1 ZINC000078978561 217162523 /nfs/dbraw/zinc/16/25/23/217162523.db2.gz SLYAFZDLSDEQLK-UHFFFAOYSA-N 0 0 348.447 2.591 40 0 EFABRN COC(=O)NCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000078979333 217163014 /nfs/dbraw/zinc/16/30/14/217163014.db2.gz VVUBBIHHNKBREK-CYBMUJFWSA-N 0 0 332.322 2.875 40 0 EFABRN O=C(c1ccccc1)N1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC000078979398 217163154 /nfs/dbraw/zinc/16/31/54/217163154.db2.gz QUPBWLDXGLGQGO-UHFFFAOYSA-N 0 0 344.361 2.953 40 0 EFABRN C[C@H]1CN(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)CCO1 ZINC000078979127 217163213 /nfs/dbraw/zinc/16/32/13/217163213.db2.gz HQEUKTVOGDGLNO-NSHDSACASA-N 0 0 327.388 2.602 40 0 EFABRN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCCS1(=O)=O ZINC000078984608 217163400 /nfs/dbraw/zinc/16/34/00/217163400.db2.gz URIRKAAXPKZAKX-NXEZZACHSA-N 0 0 334.224 2.659 40 0 EFABRN CC(C)c1nc(CCNC(=O)N[C@@H]2CCCc3c2cnn3C)cs1 ZINC000078979944 217163471 /nfs/dbraw/zinc/16/34/71/217163471.db2.gz JXJDWXHZJXNMSP-CQSZACIVSA-N 0 0 347.488 2.919 40 0 EFABRN O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CCCS1(=O)=O ZINC000078984601 217164342 /nfs/dbraw/zinc/16/43/42/217164342.db2.gz URIRKAAXPKZAKX-VHSXEESVSA-N 0 0 334.224 2.659 40 0 EFABRN C[C@@H](c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCOCC1 ZINC000078986303 217164873 /nfs/dbraw/zinc/16/48/73/217164873.db2.gz BRMQNCHOUFYTBQ-HNNXBMFYSA-N 0 0 346.452 2.881 40 0 EFABRN Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2C)cc1Cl ZINC000079029003 217177900 /nfs/dbraw/zinc/17/79/00/217177900.db2.gz OOVUMVAGBPSAJK-MRXNPFEDSA-N 0 0 346.814 2.745 40 0 EFABRN Cc1nc(CC(=O)OC2CCN(C(=O)OC(C)C)CC2)cs1 ZINC000079037215 217178908 /nfs/dbraw/zinc/17/89/08/217178908.db2.gz CVZCNLFCNPRGEO-UHFFFAOYSA-N 0 0 326.418 2.547 40 0 EFABRN Cc1csc(C2(NC(=O)c3cn4cccnc4n3)CCCC2)n1 ZINC000079034870 217179136 /nfs/dbraw/zinc/17/91/36/217179136.db2.gz VRWJGSQUILMQRX-UHFFFAOYSA-N 0 0 327.413 2.694 40 0 EFABRN C[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000079040416 217179576 /nfs/dbraw/zinc/17/95/76/217179576.db2.gz XFLPQGOJLRNFSA-GUYCJALGSA-N 0 0 349.427 2.659 40 0 EFABRN CC(C)n1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)n1 ZINC000079040203 217179643 /nfs/dbraw/zinc/17/96/43/217179643.db2.gz YUQAYFAKFNRUDM-CYBMUJFWSA-N 0 0 327.384 2.599 40 0 EFABRN C[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)c1ccccc1)S(C)(=O)=O ZINC000079040428 217179827 /nfs/dbraw/zinc/17/98/27/217179827.db2.gz XFLPQGOJLRNFSA-SUMWQHHRSA-N 0 0 349.427 2.659 40 0 EFABRN C[C@@H](C(=O)N(Cc1c(F)cccc1F)C1CCCC1)S(C)(=O)=O ZINC000079040590 217180039 /nfs/dbraw/zinc/18/00/39/217180039.db2.gz MKSRHODKTDVAOP-NSHDSACASA-N 0 0 345.411 2.669 40 0 EFABRN CC(=O)N[C@H](C)C(=O)Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000079044045 217180277 /nfs/dbraw/zinc/18/02/77/217180277.db2.gz OQZIWWUSXGKOBX-GFCCVEGCSA-N 0 0 349.394 2.602 40 0 EFABRN Cc1ccc([C@@H](NC(=O)N2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000079047630 217180927 /nfs/dbraw/zinc/18/09/27/217180927.db2.gz RZSYTFPKTRASID-QGZVFWFLSA-N 0 0 330.428 2.995 40 0 EFABRN CC(C)NC(=O)CCCC(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000078999584 217171571 /nfs/dbraw/zinc/17/15/71/217171571.db2.gz FUFSALLUAAVBDP-UHFFFAOYSA-N 0 0 349.822 2.554 40 0 EFABRN CC(C)(C)[S@](=O)CCNC(=O)COc1ccc2ccccc2c1 ZINC000079001909 217171930 /nfs/dbraw/zinc/17/19/30/217171930.db2.gz JKLSQEGJJHWDEA-QHCPKHFHSA-N 0 0 333.453 2.882 40 0 EFABRN Cc1cc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)ccn1 ZINC000079001792 217172842 /nfs/dbraw/zinc/17/28/42/217172842.db2.gz MCGSXLIBEYYTBP-SFHVURJKSA-N 0 0 325.412 2.712 40 0 EFABRN CN(C)C(=O)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 ZINC000016372791 211898097 /nfs/dbraw/zinc/89/80/97/211898097.db2.gz VHZATTMUZMAJJA-AWEZNQCLSA-N 0 0 331.445 2.710 40 0 EFABRN Cc1ccc(C(=O)N2CCN(c3ccc(SC(C)C)nn3)CC2)o1 ZINC000079089556 217189197 /nfs/dbraw/zinc/18/91/97/217189197.db2.gz ZTPUFXPOKGGHEX-UHFFFAOYSA-N 0 0 346.456 2.841 40 0 EFABRN C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccccc1C(F)(F)F)C1CC1 ZINC000079094076 217190145 /nfs/dbraw/zinc/19/01/45/217190145.db2.gz GHGQZHMUOSRLAB-JTQLQIEISA-N 0 0 349.374 2.743 40 0 EFABRN Cc1ccc(CNC(=O)Cc2coc(-c3ccc(F)cc3)n2)n1C ZINC000079094945 217190824 /nfs/dbraw/zinc/19/08/24/217190824.db2.gz CFPKCNAQCSPFCT-UHFFFAOYSA-N 0 0 327.359 2.987 40 0 EFABRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1cccc2ccccc21 ZINC000079098560 217193265 /nfs/dbraw/zinc/19/32/65/217193265.db2.gz AZSMEIYSJNUFGB-CQSZACIVSA-N 0 0 348.468 2.804 40 0 EFABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1cccc2ccccc21 ZINC000079098564 217193624 /nfs/dbraw/zinc/19/36/24/217193624.db2.gz AZSMEIYSJNUFGB-AWEZNQCLSA-N 0 0 348.468 2.804 40 0 EFABRN CC[C@H](Nc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1OC(F)F ZINC000079052464 217183222 /nfs/dbraw/zinc/18/32/22/217183222.db2.gz DAHMHMHFWAKAHC-NSHDSACASA-N 0 0 349.341 2.821 40 0 EFABRN 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339.439 2.504 40 0 EFABRN C[C@@H](c1cccnc1)N1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000079353496 217213610 /nfs/dbraw/zinc/21/36/10/217213610.db2.gz BGHIYPTYXQLGNO-HNNXBMFYSA-N 0 0 341.459 2.552 40 0 EFABRN Cc1ccc(C[C@H](NC(=O)c2ccc(=O)n(C)c2)c2ccccn2)cc1 ZINC000079360516 217215334 /nfs/dbraw/zinc/21/53/34/217215334.db2.gz KXOAGCMDQYLSDB-IBGZPJMESA-N 0 0 347.418 2.803 40 0 EFABRN COc1ccc(F)cc1C[S@](=O)CC(=O)NCC1CCCCC1 ZINC000079324407 217208211 /nfs/dbraw/zinc/20/82/11/217208211.db2.gz LBDNBZUMWUNAFT-HSZRJFAPSA-N 0 0 341.448 2.780 40 0 EFABRN CC(C)CNC(=O)C[S@](=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000079324658 217208237 /nfs/dbraw/zinc/20/82/37/217208237.db2.gz JZEJXOYMLLANPE-QHCPKHFHSA-N 0 0 338.404 2.502 40 0 EFABRN CCc1ccccc1NC(=O)C[S@@](=O)Cc1noc(CC(C)C)n1 ZINC000079324579 217208920 /nfs/dbraw/zinc/20/89/20/217208920.db2.gz OCTJGAFLRAGLAD-XMMPIXPASA-N 0 0 349.456 2.718 40 0 EFABRN COc1ccc2c(c1)OC[C@@H](C(=O)N(C)[C@@H](C)c1ccncc1)C2 ZINC000079321232 217208992 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Cc1ccc(F)cc1OCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000189489097 323447817 /nfs/dbraw/zinc/44/78/17/323447817.db2.gz NIUMATYBYVQJRM-UHFFFAOYSA-N 0 0 330.359 2.853 40 0 EFABRN CC(C)(CNC(=O)N1CCC(C)(C)S(=O)(=O)CC1)C1CCCC1 ZINC000194116756 323499578 /nfs/dbraw/zinc/49/95/78/323499578.db2.gz ZHRLAJIAOSLTQU-UHFFFAOYSA-N 0 0 344.521 2.812 40 0 EFABRN O=C(C[C@H]1COCCN1Cc1cn2ccsc2n1)c1ccccc1 ZINC000195566642 323529860 /nfs/dbraw/zinc/52/98/60/323529860.db2.gz PNIVMMIVJHGJOJ-INIZCTEOSA-N 0 0 341.436 2.870 40 0 EFABRN O=C(NCc1ccc(Br)cc1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000195573779 323530141 /nfs/dbraw/zinc/53/01/41/323530141.db2.gz YQWHRYKRFMDKRU-BFHYXJOUSA-N 0 0 339.233 2.816 40 0 EFABRN Cn1c(NC(=O)[C@H]2CCc3c[nH]nc3C2)nc2cc(Cl)ccc21 ZINC000079936279 463263191 /nfs/dbraw/zinc/26/31/91/463263191.db2.gz YPIBSCKWUWECLK-VIFPVBQESA-N 0 0 329.791 2.693 40 0 EFABRN Cc1noc(CCC(=O)Nc2ncc(-c3ccc(C)c(C)c3)n2C)n1 ZINC000036752427 463440475 /nfs/dbraw/zinc/44/04/75/463440475.db2.gz CEIHTKMZYZRDGI-UHFFFAOYSA-N 0 0 339.399 2.967 40 0 EFABRN NC(=O)[C@@H]1CCCN(c2ccc(NC/C=C/c3ccco3)cn2)C1 ZINC000095447428 473205922 /nfs/dbraw/zinc/20/59/22/473205922.db2.gz HMQPLOFAVTWJJW-ARUMEGIESA-N 0 0 326.400 2.502 40 0 EFABRN Cc1nc(CNC(=O)COc2ccccc2Br)oc1C ZINC000095449118 473207057 /nfs/dbraw/zinc/20/70/57/473207057.db2.gz PQCQKPMFANAWCY-UHFFFAOYSA-N 0 0 339.189 2.749 40 0 EFABRN CN(Cc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000095447789 473207197 /nfs/dbraw/zinc/20/71/97/473207197.db2.gz RWVPMKHNMQQZMP-NWDGAFQWSA-N 0 0 341.814 2.665 40 0 EFABRN COc1cc(OC)cc(N2CC[C@@H](N[C@@H](C)c3ccccn3)C2=O)c1 ZINC000090180088 472606840 /nfs/dbraw/zinc/60/68/40/472606840.db2.gz FXZJCDMGOJCMOL-SCLBCKFNSA-N 0 0 341.411 2.555 40 0 EFABRN NC(=O)c1cccc(CNC(=O)C2(c3ccc(F)cc3F)CCC2)c1 ZINC000095464268 473209429 /nfs/dbraw/zinc/20/94/29/473209429.db2.gz FONYZYNLRIRGJO-UHFFFAOYSA-N 0 0 344.361 2.802 40 0 EFABRN Cc1cc(S(=O)(=O)N[C@@H](c2ccn(C)c2)C(F)(F)F)c(C)o1 ZINC000095463670 473209700 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344.396 2.503 40 0 EFABRN CCc1nnc(NC(=O)CSc2nnc(C(C)C)n2CC)s1 ZINC000000410626 471355160 /nfs/dbraw/zinc/35/51/60/471355160.db2.gz NPVCEOWQKCWVJL-UHFFFAOYSA-N 0 0 340.478 2.566 40 0 EFABRN CCOC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 ZINC000000415681 471355515 /nfs/dbraw/zinc/35/55/15/471355515.db2.gz UZGNKQISIFHKCE-UHFFFAOYSA-N 0 0 331.397 2.855 40 0 EFABRN Cc1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1 ZINC000000420399 471356680 /nfs/dbraw/zinc/35/66/80/471356680.db2.gz QLQTUIQLQJOHIK-UHFFFAOYSA-N 0 0 325.397 2.702 40 0 EFABRN CCC(=O)Nc1cccc(NC(=O)CCn2nnc3ccccc32)c1 ZINC000000419225 471356912 /nfs/dbraw/zinc/35/69/12/471356912.db2.gz IQXUBMFTBPZKAM-UHFFFAOYSA-N 0 0 337.383 2.809 40 0 EFABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(N)=O)cc1 ZINC000000422652 471357782 /nfs/dbraw/zinc/35/77/82/471357782.db2.gz COZKCYQPBVJGKQ-UHFFFAOYSA-N 0 0 338.436 2.744 40 0 EFABRN Cc1ccccc1C(=O)Nc1c2c(nn1C(C)(C)C)CS(=O)(=O)C2 ZINC000000425786 471359271 /nfs/dbraw/zinc/35/92/71/471359271.db2.gz NRBXTAHGLNOBJG-UHFFFAOYSA-N 0 0 347.440 2.627 40 0 EFABRN COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)on3)no2)c1 ZINC000000425671 471359339 /nfs/dbraw/zinc/35/93/39/471359339.db2.gz IZACEFRWLWCRHN-UHFFFAOYSA-N 0 0 329.312 2.908 40 0 EFABRN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1OCC ZINC000000503990 471366077 /nfs/dbraw/zinc/36/60/77/471366077.db2.gz FNOXRHYYJYJJTD-UHFFFAOYSA-N 0 0 328.368 2.835 40 0 EFABRN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1 ZINC000000514535 471367689 /nfs/dbraw/zinc/36/76/89/471367689.db2.gz PZLUZMCETLHSCZ-UHFFFAOYSA-N 0 0 346.452 2.871 40 0 EFABRN COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2C=O)cc1OC ZINC000000519164 471367879 /nfs/dbraw/zinc/36/78/79/471367879.db2.gz VTZZWDULTAUODD-UHFFFAOYSA-N 0 0 344.363 2.959 40 0 biogenic EFABRN CCCC(=O)NC(=S)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000000558875 471370377 /nfs/dbraw/zinc/37/03/77/471370377.db2.gz FMGXPFOZLXSJEG-UHFFFAOYSA-N 0 0 336.442 2.868 40 0 EFABRN COc1ccccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 ZINC000000557841 471370876 /nfs/dbraw/zinc/37/08/76/471370876.db2.gz 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/nfs/dbraw/zinc/80/56/90/476805690.db2.gz LFDGDMNYIGONAZ-OAHLLOKOSA-N 0 0 327.771 2.896 40 0 EFABRN COc1nc(C)ccc1C(=O)Nc1ccc(OC(C)C)c(C(N)=O)c1 ZINC000390834376 476805765 /nfs/dbraw/zinc/80/57/65/476805765.db2.gz XKNWZMRYGDCMRR-UHFFFAOYSA-N 0 0 343.383 2.537 40 0 EFABRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)c2ccccc21 ZINC000390835579 476805803 /nfs/dbraw/zinc/80/58/03/476805803.db2.gz RGJHEKIAUIQIOK-UHFFFAOYSA-N 0 0 327.340 2.700 40 0 EFABRN CNC(=O)c1ccc(NC(=O)N2CCC=C(Br)C2)cc1 ZINC000390835602 476806071 /nfs/dbraw/zinc/80/60/71/476806071.db2.gz SBHZCMPWDIYVHN-UHFFFAOYSA-N 0 0 338.205 2.563 40 0 EFABRN CCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408550951 476966587 /nfs/dbraw/zinc/96/65/87/476966587.db2.gz GKULSURCHXIGLF-UONOGXRCSA-N 0 0 348.468 2.811 40 0 EFABRN COC[C@@H](C)NC(=O)CSCc1ccccc1Br ZINC000408576411 476968210 /nfs/dbraw/zinc/96/82/10/476968210.db2.gz UMJYVXNYQCZAFP-SNVBAGLBSA-N 0 0 332.263 2.833 40 0 EFABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccncc1 ZINC000408559452 476968487 /nfs/dbraw/zinc/96/84/87/476968487.db2.gz MDPGBSNASBZCDU-UHFFFAOYSA-N 0 0 326.805 2.612 40 0 EFABRN COC[C@H](C)NC(=O)CSCc1ccccc1Br ZINC000408576407 476968538 /nfs/dbraw/zinc/96/85/38/476968538.db2.gz UMJYVXNYQCZAFP-JTQLQIEISA-N 0 0 332.263 2.833 40 0 EFABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584188 476968758 /nfs/dbraw/zinc/96/87/58/476968758.db2.gz MTWRDRWOUBQZKE-CYBMUJFWSA-N 0 0 341.477 2.931 40 0 EFABRN CCC[C@H](OC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)C(=O)c1ccccc1 ZINC000408651354 476969841 /nfs/dbraw/zinc/96/98/41/476969841.db2.gz CFRFCYFBJPPPPP-VCCANDMLSA-N 0 0 342.391 2.779 40 0 EFABRN NN=c1[nH]c2ccccc2c(=O)n1-c1ccccc1OC(F)(F)F ZINC000408712780 476970856 /nfs/dbraw/zinc/97/08/56/476970856.db2.gz QCEIUVALONOHBR-UHFFFAOYSA-N 0 0 336.273 2.570 40 0 EFABRN CC(C)NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000408704722 476971177 /nfs/dbraw/zinc/97/11/77/476971177.db2.gz RVPFVQKIGWGZSX-UHFFFAOYSA-N 0 0 332.425 2.653 40 0 EFABRN CCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccccc2N)N1 ZINC000408738789 476972052 /nfs/dbraw/zinc/97/20/52/476972052.db2.gz OQFHXKHWIUNBNH-CQSZACIVSA-N 0 0 329.322 2.912 40 0 EFABRN CN(C)C(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 ZINC000408721264 476972274 /nfs/dbraw/zinc/97/22/74/476972274.db2.gz FXQPPWJKEXCVIP-KUHUBIRLSA-N 0 0 328.412 2.704 40 0 EFABRN O=C(c1ccc(N2C(=O)c3cccnc3C2=O)cc1)N1CCCCC1 ZINC000408722457 476972608 /nfs/dbraw/zinc/97/26/08/476972608.db2.gz ULIKXZPEMFSSKL-UHFFFAOYSA-N 0 0 335.363 2.508 40 0 EFABRN COc1ccc(C2=N/C(=C/c3ccc(O)c(OC)c3)C(=O)O2)cc1 ZINC000408839391 476973465 /nfs/dbraw/zinc/97/34/65/476973465.db2.gz RODMKAJJWAEYMP-NTEUORMPSA-N 0 0 325.320 2.754 40 0 EFABRN CN1C(=O)S/C(=C\c2cc(Br)c(O)cc2O)C1=O ZINC000408820783 476973955 /nfs/dbraw/zinc/97/39/55/476973955.db2.gz YPTQDSAKSSDCQO-OQFOIZHKSA-N 0 0 330.159 2.526 40 0 EFABRN O=C(OCc1ccccc1F)c1cccc(N2C(=O)C=CC2=O)c1 ZINC000409219194 476980395 /nfs/dbraw/zinc/98/03/95/476980395.db2.gz NVHDPZBJIFSWIZ-UHFFFAOYSA-N 0 0 325.295 2.612 40 0 EFABRN CCOC(=O)C1CCN(C(=S)Nc2ccc3conc3c2)CC1 ZINC000409196553 476980436 /nfs/dbraw/zinc/98/04/36/476980436.db2.gz PIUQWCNZLMPGAR-UHFFFAOYSA-N 0 0 333.413 2.800 40 0 EFABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CC2)ccc1C ZINC000409409621 476983059 /nfs/dbraw/zinc/98/30/59/476983059.db2.gz PNFIKTAKBSULBE-UHFFFAOYSA-N 0 0 344.436 2.996 40 0 EFABRN O=Cc1cn(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc12 ZINC000409412238 476983815 /nfs/dbraw/zinc/98/38/15/476983815.db2.gz ADNYUODTPSFRDK-UHFFFAOYSA-N 0 0 334.335 2.674 40 0 EFABRN COC(=O)[C@H]1CCc2nnc(COc3cc(C)ccc3C)n2CC1 ZINC000601044447 478628839 /nfs/dbraw/zinc/62/88/39/478628839.db2.gz PXXXTLATBHFSSD-AWEZNQCLSA-N 0 0 329.400 2.599 40 0 EFABRN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000514288637 479021575 /nfs/dbraw/zinc/02/15/75/479021575.db2.gz KFZSYMLTJFWPOK-ZBFHGGJFSA-N 0 0 332.400 2.605 40 0 biogenic,in-vitro EFABRN CC[C@H](O)/C=C\[C@@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)OC ZINC000514288239 479021603 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Fc1cccnc1OC[C@@H]1CCn2nccc2CN1Cc1ccco1 ZINC000585098543 479282652 /nfs/dbraw/zinc/28/26/52/479282652.db2.gz ZHCPJCHTCYVFLK-HNNXBMFYSA-N 0 0 342.374 2.864 40 0 EFABRN O=C(C1CC(F)C1)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000585101048 479283148 /nfs/dbraw/zinc/28/31/48/479283148.db2.gz ZMTLBBFWCBCSOD-FVKWTLKZSA-N 0 0 336.432 2.842 40 0 EFABRN c1ccc(CN2CC3(C2)OCC[C@H]3CCOc2ccccn2)nc1 ZINC000585102877 479284420 /nfs/dbraw/zinc/28/44/20/479284420.db2.gz LPUJBOPDGWGIKV-MRXNPFEDSA-N 0 0 325.412 2.537 40 0 EFABRN Cc1noc(C)c1C(=O)N1CCC[C@]2(CCN(CC3CC3)C2=O)CC1 ZINC000585103838 479284493 /nfs/dbraw/zinc/28/44/93/479284493.db2.gz RXCMOWUCRWBUJW-LJQANCHMSA-N 0 0 345.443 2.546 40 0 EFABRN O=C(NCC[C@H]1CCOC12CN(Cc1cccs1)C2)c1ccco1 ZINC000585103270 479284925 /nfs/dbraw/zinc/28/49/25/479284925.db2.gz STULVXXKXIXULF-AWEZNQCLSA-N 0 0 346.452 2.752 40 0 EFABRN CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)[C@@H]1C[C@H]1C)C2 ZINC000585106799 479286104 /nfs/dbraw/zinc/28/61/04/479286104.db2.gz IEBOFARZEXRJKY-STXHMFSFSA-N 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Cc1nnc(CN2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)s1 ZINC000585123485 479292851 /nfs/dbraw/zinc/29/28/51/479292851.db2.gz NDRHFDYZQCUHCB-QGZVFWFLSA-N 0 0 329.425 2.847 40 0 EFABRN Cc1nccn1CC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000585124222 479293386 /nfs/dbraw/zinc/29/33/86/479293386.db2.gz HLYFUYZWFYORBA-UHFFFAOYSA-N 0 0 334.782 2.824 40 0 EFABRN CCN(c1cccc(C)c1)S(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000585140491 479297507 /nfs/dbraw/zinc/29/75/07/479297507.db2.gz FWLSEBLICOUZOW-UHFFFAOYSA-N 0 0 333.335 2.952 40 0 EFABRN COc1cc(C[C@H](C)Nc2ccc(C)c(NS(C)(=O)=O)c2)ccn1 ZINC000585140477 479297893 /nfs/dbraw/zinc/29/78/93/479297893.db2.gz FSFRYHTVRWOOGA-ZDUSSCGKSA-N 0 0 349.456 2.813 40 0 EFABRN Cc1ccc(C)c(OCc2nnc(CCCNC(=O)C3CC3)o2)c1 ZINC000585139798 479297904 /nfs/dbraw/zinc/29/79/04/479297904.db2.gz QHOYEHDIBMCLNN-UHFFFAOYSA-N 0 0 329.400 2.724 40 0 EFABRN Cc1ncc(NC(=O)N[C@@H](c2ccccc2)C2(CO)CCC2)cn1 ZINC000585140873 479298519 /nfs/dbraw/zinc/29/85/19/479298519.db2.gz MCEOAZQNJZDANL-INIZCTEOSA-N 0 0 326.400 2.810 40 0 EFABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC000585140950 479298694 /nfs/dbraw/zinc/29/86/94/479298694.db2.gz LWYCOXUWCNTPBZ-NSHDSACASA-N 0 0 327.388 2.547 40 0 EFABRN COC(=O)N(C)CCCC(=O)N(C)c1nc(-c2ccccn2)cs1 ZINC000585141433 479298803 /nfs/dbraw/zinc/29/88/03/479298803.db2.gz UPVOVSHAVZGGLZ-UHFFFAOYSA-N 0 0 348.428 2.646 40 0 EFABRN Cc1cccc([N-]S(=O)(=O)c2cnn(C)c2Br)c1C ZINC000585141040 479298823 /nfs/dbraw/zinc/29/88/23/479298823.db2.gz OBNSBJHBBNEKBF-UHFFFAOYSA-N 0 0 344.234 2.600 40 0 EFABRN O=C(NCc1noc(-c2ccccc2)n1)N[C@H](C1CC1)C(F)(F)F ZINC000585141410 479298888 /nfs/dbraw/zinc/29/88/88/479298888.db2.gz UJXTZPIQACTXBC-GFCCVEGCSA-N 0 0 340.305 2.877 40 0 EFABRN Cn1nccc1NC(=O)N1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000585141658 479299039 /nfs/dbraw/zinc/29/90/39/479299039.db2.gz WUFIPISGQCKDOR-CYBMUJFWSA-N 0 0 336.436 2.928 40 0 EFABRN CCc1[nH]c(=O)sc1S(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000585141701 479299791 /nfs/dbraw/zinc/29/97/91/479299791.db2.gz FGRLJDWMDHRSTF-VIFPVBQESA-N 0 0 344.433 2.932 40 0 EFABRN O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](Cc2cccnc2)C1 ZINC000585181348 479301681 /nfs/dbraw/zinc/30/16/81/479301681.db2.gz XXHRNIOGIYETPA-QGZVFWFLSA-N 0 0 347.422 2.757 40 0 EFABRN CNc1cc([C@@H]2CCCN(C(=O)c3c(C)onc3C(C)C)C2)ccn1 ZINC000585181497 479302179 /nfs/dbraw/zinc/30/21/79/479302179.db2.gz LIPNBPAZPCGPPS-OAHLLOKOSA-N 0 0 342.443 3.563 40 0 EFABRN CC(=O)N1CCN(C(=O)c2n[nH]c3ccccc32)[C@@H](c2ccccc2)C1 ZINC000585182283 479302474 /nfs/dbraw/zinc/30/24/74/479302474.db2.gz QHRDGLMKAZEDDS-GOSISDBHSA-N 0 0 348.406 2.609 40 0 EFABRN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cc(CO)n[nH]3)C1)CCCC2 ZINC000585270163 479303226 /nfs/dbraw/zinc/30/32/26/479303226.db2.gz CNNFOLQRCNBPNW-CYBMUJFWSA-N 0 0 343.427 2.702 40 0 EFABRN Cc1cc(-c2nccn2C)nc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000585182535 479303859 /nfs/dbraw/zinc/30/38/59/479303859.db2.gz GQPOXFNGGNRTJP-HNNXBMFYSA-N 0 0 339.443 2.692 40 0 EFABRN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)CC2CCOCC2)cc1 ZINC000585275627 479304455 /nfs/dbraw/zinc/30/44/55/479304455.db2.gz FFVJIOYJWOQQCY-OALUTQOASA-N 0 0 331.456 2.706 40 0 EFABRN CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)c2ccncc2)C1 ZINC000585273196 479304521 /nfs/dbraw/zinc/30/45/21/479304521.db2.gz BAUOBICEYFLWBP-IBGZPJMESA-N 0 0 326.396 2.700 40 0 EFABRN CCCc1ncc(CN2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585275862 479304542 /nfs/dbraw/zinc/30/45/42/479304542.db2.gz HUDGHNBBYBMFOZ-IEBWSBKVSA-N 0 0 343.446 2.994 40 0 EFABRN COc1ccccc1C(=O)N1CCC[C@](O)(COc2ccccc2)C1 ZINC000585272075 479304631 /nfs/dbraw/zinc/30/46/31/479304631.db2.gz KOVYMLKHTMKMAD-HXUWFJFHSA-N 0 0 341.407 2.741 40 0 EFABRN CO[C@]1(COc2ccccc2C)CCCN(C(=O)C2CCOCC2)C1 ZINC000585275342 479304692 /nfs/dbraw/zinc/30/46/92/479304692.db2.gz ASSKPPCHEGGLNU-HXUWFJFHSA-N 0 0 347.455 2.808 40 0 EFABRN CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2ccncc2)C1 ZINC000585274577 479305249 /nfs/dbraw/zinc/30/52/49/479305249.db2.gz LCKOOFKXHKHRFP-SFHVURJKSA-N 0 0 330.359 2.531 40 0 EFABRN CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)Cc2ccccn2)C1 ZINC000585275457 479305257 /nfs/dbraw/zinc/30/52/57/479305257.db2.gz CJJITGOJFLQKDF-FQEVSTJZSA-N 0 0 340.423 2.629 40 0 EFABRN CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2conc2C)C1 ZINC000585277175 479305601 /nfs/dbraw/zinc/30/56/01/479305601.db2.gz MUVROHQGGGQRDR-SFHVURJKSA-N 0 0 348.374 2.822 40 0 EFABRN CNc1cccc(C(=O)N2CC[C@H](OC)[C@H](Cc3ccccc3)C2)n1 ZINC000585276527 479305765 /nfs/dbraw/zinc/30/57/65/479305765.db2.gz MJCKGXSIKVMVBV-AEFFLSMTSA-N 0 0 339.439 2.843 40 0 EFABRN O=C([O-])c1ccccc1C[N@H+]1CC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585276467 479305800 /nfs/dbraw/zinc/30/58/00/479305800.db2.gz LSMKSYWZSWEBNM-IBGZPJMESA-N 0 0 345.370 2.540 40 0 EFABRN Cc1ccccc1OC[C@]1(O)CCN(C(=O)c2cccc(F)c2)C1 ZINC000585277675 479306107 /nfs/dbraw/zinc/30/61/07/479306107.db2.gz OAGVPAPSABOQOO-IBGZPJMESA-N 0 0 329.371 2.790 40 0 EFABRN O=C(c1cc(C2CC2)on1)N1CCC[C@](O)(COc2ccccc2)C1 ZINC000585275925 479306444 /nfs/dbraw/zinc/30/64/44/479306444.db2.gz INYXATIDFAYCCT-LJQANCHMSA-N 0 0 342.395 2.598 40 0 EFABRN CO[C@H]1CCCN(C(=O)c2ncccc2O)[C@H]1Cc1ccc(F)cc1 ZINC000585279275 479306874 /nfs/dbraw/zinc/30/68/74/479306874.db2.gz YTSUZNBKEOFKMJ-RDJZCZTQSA-N 0 0 344.386 2.789 40 0 EFABRN CO[C@]1(COc2ccccc2C)CCN(C(=O)c2cc(C)no2)C1 ZINC000585279225 479306978 /nfs/dbraw/zinc/30/69/78/479306978.db2.gz XQRQZKTWPRZKIC-GOSISDBHSA-N 0 0 330.384 2.602 40 0 EFABRN O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585277980 479307079 /nfs/dbraw/zinc/30/70/79/479307079.db2.gz ZFCIDFKHXWXPAS-ROUUACIJSA-N 0 0 343.402 2.634 40 0 EFABRN Cc1ccc(C(=O)N2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)nn1 ZINC000585279138 479307523 /nfs/dbraw/zinc/30/75/23/479307523.db2.gz VOROHNBVQNWBSQ-PBHICJAKSA-N 0 0 345.830 2.504 40 0 EFABRN CO[C@H]1CN(C(=O)Cc2ccccn2)CC[C@@H]1Cc1ccccc1F ZINC000585279337 479307626 /nfs/dbraw/zinc/30/76/26/479307626.db2.gz KKMUCLXQVDYPDF-APWZRJJASA-N 0 0 342.414 2.869 40 0 EFABRN CO[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[C@@H]1Cc1ccccc1C ZINC000585278420 479307643 /nfs/dbraw/zinc/30/76/43/479307643.db2.gz DLLWYRICHZIPAW-SJLPKXTDSA-N 0 0 327.428 2.746 40 0 EFABRN CC(=O)N1CCC[C@H](NC(=O)C2CCC2)[C@@H]1Cc1cccc(F)c1 ZINC000585280589 479307884 /nfs/dbraw/zinc/30/78/84/479307884.db2.gz KYSMDOHDQPTIOP-ROUUACIJSA-N 0 0 332.419 2.664 40 0 EFABRN CCc1cc(C(=O)N2CC[C@H](Cc3ccccc3)[C@@H](OC)C2)n(C)n1 ZINC000585279831 479308134 /nfs/dbraw/zinc/30/81/34/479308134.db2.gz QFEYUXXIKGBBFQ-APWZRJJASA-N 0 0 341.455 2.702 40 0 EFABRN CO[C@@H]1CN(C(=O)Cc2ccncc2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585280172 479308367 /nfs/dbraw/zinc/30/83/67/479308367.db2.gz ZBHOSLZOOQMQQY-IEBWSBKVSA-N 0 0 342.414 2.869 40 0 EFABRN CO[C@H]1CN(C(=O)Cc2c(C)n[nH]c2C)CC[C@@H]1Cc1ccccc1 ZINC000585280071 479308496 /nfs/dbraw/zinc/30/84/96/479308496.db2.gz XQVRDTYJMKCRIQ-MJGOQNOKSA-N 0 0 341.455 2.675 40 0 EFABRN Cc1cc(C(=O)N2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)ccn1 ZINC000585280039 479308703 /nfs/dbraw/zinc/30/87/03/479308703.db2.gz WXKUKPCNWUAKMC-QAPCUYQASA-N 0 0 328.387 2.595 40 0 EFABRN CO[C@H]1CN(C(=O)C=Cc2c[nH]cn2)CC[C@@H]1Cc1ccccc1C ZINC000585289359 479309389 /nfs/dbraw/zinc/30/93/89/479309389.db2.gz QFXYHSRKKYDYDT-KRZVHVFCSA-N 0 0 339.439 2.838 40 0 EFABRN Cc1cc(C(=O)NC[C@H]2CCC[C@@H](Oc3ccc(C)cc3)[C@@H]2O)on1 ZINC000585286540 479309881 /nfs/dbraw/zinc/30/98/81/479309881.db2.gz ZRXJEFZFQUUNQX-QGPMSJSTSA-N 0 0 344.411 2.630 40 0 EFABRN O=C(C=Cc1c[nH]cn1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000585291984 479310549 /nfs/dbraw/zinc/31/05/49/479310549.db2.gz UTKYSGKDNFCYLE-CJRIBOPCSA-N 0 0 337.423 2.877 40 0 EFABRN C=CC(=O)N1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 ZINC000585293100 479310781 /nfs/dbraw/zinc/31/07/81/479310781.db2.gz WVOVBITZVZQPIX-GFCCVEGCSA-N 0 0 329.429 2.795 40 0 EFABRN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)/C=C/c1csc(C)n1 ZINC000585290754 479310951 /nfs/dbraw/zinc/31/09/51/479310951.db2.gz WUYMMJBIGSYLTM-RUBBHVMPSA-N 0 0 347.484 2.714 40 0 EFABRN CC1CCN(C(=O)c2ccc(N3CCC[C@@H](CO)[C@H]3C)nc2)CC1 ZINC000574619424 479318114 /nfs/dbraw/zinc/31/81/14/479318114.db2.gz FLNYXYMFGZYSBY-WBVHZDCISA-N 0 0 331.460 2.551 40 0 EFABRN O=C(N1CC2(C1)C[C@@H](OCc1cccnc1)CS2)C1(F)CCC1 ZINC000575403711 479437255 /nfs/dbraw/zinc/43/72/55/479437255.db2.gz MYUSGGKERCYOCL-CQSZACIVSA-N 0 0 336.432 2.577 40 0 EFABRN CC(C)CCC(=O)N1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000575403241 479437500 /nfs/dbraw/zinc/43/75/00/479437500.db2.gz GADBPPFJHLKEJJ-QGZVFWFLSA-N 0 0 332.444 2.794 40 0 EFABRN Cc1ccncc1CO[C@@H]1CCOC2(CN(C(=O)CC(C)C)C2)C1 ZINC000575403927 479437722 /nfs/dbraw/zinc/43/77/22/479437722.db2.gz KXMITJFKWMMUNT-QGZVFWFLSA-N 0 0 332.444 2.713 40 0 EFABRN Cc1cccc(CO[C@@H]2CSC3(CN(C(=O)[C@H]4C[C@H]4C)C3)C2)n1 ZINC000575404137 479438208 /nfs/dbraw/zinc/43/82/08/479438208.db2.gz QAYXNDDAVKPMPE-KCXAZCMYSA-N 0 0 332.469 2.649 40 0 EFABRN Cc1cncc(CO[C@@H]2CCOC3(CN(C(=O)CC(C)C)C3)C2)c1 ZINC000575402899 479438412 /nfs/dbraw/zinc/43/84/12/479438412.db2.gz DKNIZVDSKMEMMZ-QGZVFWFLSA-N 0 0 332.444 2.713 40 0 EFABRN CC(C)CC(=O)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 ZINC000575404830 479438785 /nfs/dbraw/zinc/43/87/85/479438785.db2.gz OYHHFYJMINVOJF-SFHVURJKSA-N 0 0 327.428 2.857 40 0 EFABRN Cc1cccc(CO[C@H]2CCOC3(CN(C(=O)C4(F)CCC4)C3)C2)n1 ZINC000575404526 479438794 /nfs/dbraw/zinc/43/87/94/479438794.db2.gz NNQZDYGIGPDUDQ-INIZCTEOSA-N 0 0 348.418 2.559 40 0 EFABRN O=C(N1CC2(C1)C[C@H](OCc1ccncc1)CS2)C1(F)CCC1 ZINC000575404341 479438848 /nfs/dbraw/zinc/43/88/48/479438848.db2.gz RVDXWCCUCBYMST-AWEZNQCLSA-N 0 0 336.432 2.577 40 0 EFABRN Cc1nc(CO[C@@H]2CSC3(CN(C(=O)[C@H]4C[C@@H]4C)C3)C2)cs1 ZINC000575405271 479439322 /nfs/dbraw/zinc/43/93/22/479439322.db2.gz XZKNPGVNVZXFJG-BPNCWPANSA-N 0 0 338.498 2.711 40 0 EFABRN CCCCC(=O)N1CC2(C1)C[C@H](OCc1csc(C)n1)CCO2 ZINC000575405157 479439333 /nfs/dbraw/zinc/43/93/33/479439333.db2.gz RNFDULBNCQQOBM-OAHLLOKOSA-N 0 0 338.473 2.918 40 0 EFABRN O=C(C1CCC1)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 ZINC000575405900 479439371 /nfs/dbraw/zinc/43/93/71/479439371.db2.gz UUXMRBJHMMLAJC-GOSISDBHSA-N 0 0 325.412 2.611 40 0 EFABRN Cc1nc(CO[C@@H]2CCOC3(CN(C(=O)C4CCC4)C3)C2)cs1 ZINC000575404367 479439490 /nfs/dbraw/zinc/43/94/90/479439490.db2.gz LSCFGDSNDBPPNG-OAHLLOKOSA-N 0 0 336.457 2.528 40 0 EFABRN CC(C)CC(=O)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000575404755 479439532 /nfs/dbraw/zinc/43/95/32/479439532.db2.gz PVFUDMVHNVEBEC-HNNXBMFYSA-N 0 0 327.490 2.562 40 0 EFABRN COCC[C@H]1CO[C@H]2CN(C(=O)c3oc4ccccc4c3C)C[C@@H]12 ZINC000575404559 479439638 /nfs/dbraw/zinc/43/96/38/479439638.db2.gz NRPSJKSTCAUSKP-QRTARXTBSA-N 0 0 329.396 2.865 40 0 EFABRN Cc1ccoc1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 ZINC000575405481 479439777 /nfs/dbraw/zinc/43/97/77/479439777.db2.gz IOECJKJRIPBWQT-INIZCTEOSA-N 0 0 337.379 2.888 40 0 EFABRN O=C(C1CCC1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575415032 479441738 /nfs/dbraw/zinc/44/17/38/479441738.db2.gz WRRUSRLSNCLUCE-HNNXBMFYSA-N 0 0 341.860 2.828 40 0 EFABRN COc1ccccc1CC(=O)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575413919 479442099 /nfs/dbraw/zinc/44/20/99/479442099.db2.gz QWYHDMSESKAMFR-AWEZNQCLSA-N 0 0 346.814 2.966 40 0 EFABRN CCN(C(=S)Nc1ccc(C)cc1)[C@]1(C)CCS(=O)(=O)C1 ZINC000575420976 479444056 /nfs/dbraw/zinc/44/40/56/479444056.db2.gz LWFQSXOQVNDFRX-OAHLLOKOSA-N 0 0 326.487 2.591 40 0 EFABRN O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](Oc2ncccn2)C1 ZINC000575604767 479449085 /nfs/dbraw/zinc/44/90/85/479449085.db2.gz AVPJRCWAPNPJDQ-LLVKDONJSA-N 0 0 337.301 2.789 40 0 EFABRN COc1ccc(C(=O)N2CCC[C@@H](Oc3ccncc3)C2)cc1F ZINC000575604921 479449321 /nfs/dbraw/zinc/44/93/21/479449321.db2.gz HXRZVIHPGRUECP-OAHLLOKOSA-N 0 0 330.359 2.913 40 0 EFABRN CSc1ccccc1C(=O)NCc1ccnc(N2CCCC2=O)c1 ZINC000575606925 479450505 /nfs/dbraw/zinc/45/05/05/479450505.db2.gz HKHXOPQUTQOOTG-UHFFFAOYSA-N 0 0 341.436 2.860 40 0 EFABRN COc1ccc(Br)c(C(=O)NCc2cnoc2C)c1 ZINC000575606173 479450511 /nfs/dbraw/zinc/45/05/11/479450511.db2.gz SSFVDNQJMSZMDO-UHFFFAOYSA-N 0 0 325.162 2.684 40 0 EFABRN CC(C)=CC(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 ZINC000575606426 479450804 /nfs/dbraw/zinc/45/08/04/479450804.db2.gz JLWPTSMCXPNZOS-OAHLLOKOSA-N 0 0 341.860 2.994 40 0 EFABRN O=C(Nc1ccccc1F)N1CCC[C@@H](Oc2ncc(F)cn2)C1 ZINC000575606432 479450960 /nfs/dbraw/zinc/45/09/60/479450960.db2.gz VZNUPKPCBWDDRP-GFCCVEGCSA-N 0 0 334.326 2.830 40 0 EFABRN O=C(c1ccccc1Br)N1CC[C@H](Oc2ccncn2)C1 ZINC000575608443 479452089 /nfs/dbraw/zinc/45/20/89/479452089.db2.gz YFPGCHBARYWFIH-NSHDSACASA-N 0 0 348.200 2.533 40 0 EFABRN O=S(=O)(c1cccs1)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575607659 479452169 /nfs/dbraw/zinc/45/21/69/479452169.db2.gz VPEQWOMFLWRLTC-SNVBAGLBSA-N 0 0 344.845 2.639 40 0 EFABRN COc1ccccc1OCC(=O)N1CCC[C@@H](Oc2ccncc2)C1 ZINC000575612276 479454044 /nfs/dbraw/zinc/45/40/44/479454044.db2.gz KWSIPLMHRNRYGP-MRXNPFEDSA-N 0 0 342.395 2.539 40 0 EFABRN Cc1ccc(C)n1CC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000604418916 479515435 /nfs/dbraw/zinc/51/54/35/479515435.db2.gz URGJWPSRUHYSBX-MRXNPFEDSA-N 0 0 337.427 2.554 40 0 EFABRN 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348.397 2.704 40 0 EFABRN Cn1ccc(C(=O)Nc2ccc(OCCc3ccccc3)nc2)cc1=O ZINC000076447600 202389059 /nfs/dbraw/zinc/38/90/59/202389059.db2.gz NWGJGNSQHITZIS-UHFFFAOYSA-N 0 0 349.390 2.654 40 0 EFABRN O=C(NCC(=O)N1CCCCC[C@H]1c1ccco1)NCc1ccco1 ZINC000076651958 202389162 /nfs/dbraw/zinc/38/91/62/202389162.db2.gz MGLCZRGFQDDIHP-HNNXBMFYSA-N 0 0 345.399 2.816 40 0 EFABRN O=C(O[C@@H]1CCS(=O)(=O)C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000076906879 202389172 /nfs/dbraw/zinc/38/91/72/202389172.db2.gz LJCQQHJXWQLBLN-AGIUHOORSA-N 0 0 349.235 2.827 40 0 EFABRN O=C(CS(=O)(=O)C1CCCC1)NC1(c2cccc(Cl)c2)CC1 ZINC000076934566 202389185 /nfs/dbraw/zinc/38/91/85/202389185.db2.gz WBLZPXMUWQBGSS-UHFFFAOYSA-N 0 0 341.860 2.803 40 0 EFABRN O=C(OCc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000076850188 202389338 /nfs/dbraw/zinc/38/93/38/202389338.db2.gz NPIMJTZZKMIKJL-INIZCTEOSA-N 0 0 342.370 2.816 40 0 EFABRN CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000076501905 202389447 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EFABRN CSCC[C@H](C)NC(=O)NCc1ccc(Cn2ccnc2)cc1 ZINC000077348170 202391969 /nfs/dbraw/zinc/39/19/69/202391969.db2.gz AENCTHHJLPQOQF-AWEZNQCLSA-N 0 0 332.473 2.872 40 0 EFABRN Cc1ncc(CNC(=O)C(=O)Nc2cccc3ccc(C)nc32)s1 ZINC000077820635 202392923 /nfs/dbraw/zinc/39/29/23/202392923.db2.gz QUKMBRPHHOVAQR-UHFFFAOYSA-N 0 0 340.408 2.563 40 0 EFABRN CCc1nc(SCCOc2ccc3c(C)cc(=O)oc3c2)n[nH]1 ZINC000077491029 202393048 /nfs/dbraw/zinc/39/30/48/202393048.db2.gz DYSJDJNILJROQQ-UHFFFAOYSA-N 0 0 331.397 2.953 40 0 EFABRN CCc1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)n1C ZINC000077491434 202393161 /nfs/dbraw/zinc/39/31/61/202393161.db2.gz GGPHVVKDWUJWOK-UHFFFAOYSA-N 0 0 345.424 2.963 40 0 EFABRN O=C(COc1cccnc1Cl)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000077493800 202393210 /nfs/dbraw/zinc/39/32/10/202393210.db2.gz TZOLDKBJSDONIH-AWEZNQCLSA-N 0 0 345.830 2.757 40 0 EFABRN COc1ccc(Br)c(NC(=O)N[C@@H](C)[C@@H](C)CO)c1 ZINC000077696613 202393387 /nfs/dbraw/zinc/39/33/87/202393387.db2.gz PXEYXDNANWWVQO-IUCAKERBSA-N 0 0 331.210 2.596 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327.432 2.559 40 0 EFABRN O=C(c1ccsc1)N1CCC2(CCN(c3ncccn3)C2)CC1 ZINC000096157533 473316270 /nfs/dbraw/zinc/31/62/70/473316270.db2.gz NVSHYNYJJABJFQ-UHFFFAOYSA-N 0 0 328.441 2.671 40 0 EFABRN CC(C)CN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O ZINC000096157736 473316628 /nfs/dbraw/zinc/31/66/28/473316628.db2.gz UNJGFABPISJHIU-UHFFFAOYSA-N 0 0 332.419 2.936 40 0 EFABRN Cc1nc(-c2cc(C(=O)N3CCOCC3)c3ccccn23)cs1 ZINC000096154807 473317039 /nfs/dbraw/zinc/31/70/39/473317039.db2.gz MYOJNIMECKPZTQ-UHFFFAOYSA-N 0 0 327.409 2.844 40 0 EFABRN O=C(C1CC=CC1)N1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000096158472 473317429 /nfs/dbraw/zinc/31/74/29/473317429.db2.gz NHFMNFQOYKTOJS-UHFFFAOYSA-N 0 0 326.444 2.652 40 0 EFABRN O=C(c1cccs1)N1CCC[C@]2(CCN(c3ncc(F)cn3)C2)C1 ZINC000096158138 473317697 /nfs/dbraw/zinc/31/76/97/473317697.db2.gz YEYIXLFOFLZQHF-KRWDZBQOSA-N 0 0 346.431 2.810 40 0 EFABRN CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1cccc(F)c1 ZINC000096519888 473455831 /nfs/dbraw/zinc/45/58/31/473455831.db2.gz QMDXTSAHXHIRFJ-ZJUUUORDSA-N 0 0 345.617 2.581 40 0 EFABRN CC[C@](Br)(C(=O)c1ccc(OC)cc1)S(=O)(=O)CC ZINC000096518737 473455877 /nfs/dbraw/zinc/45/58/77/473455877.db2.gz WXCKABBEXRGLQJ-CYBMUJFWSA-N 0 0 349.246 2.814 40 0 EFABRN Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cn1 ZINC000096161338 473320383 /nfs/dbraw/zinc/32/03/83/473320383.db2.gz RYNWFXAUSQSTBD-GOSISDBHSA-N 0 0 349.434 2.526 40 0 EFABRN Cn1cccc1C(=O)N1CCC2(CC(Oc3cccnc3)C2)CC1 ZINC000096159353 473320513 /nfs/dbraw/zinc/32/05/13/473320513.db2.gz QBOKQJZXPNVKBE-UHFFFAOYSA-N 0 0 325.412 2.884 40 0 EFABRN CC[C@](Br)([C@@H](O)c1cccc(Cl)c1)S(C)(=O)=O ZINC000096521473 473456690 /nfs/dbraw/zinc/45/66/90/473456690.db2.gz IKWLYIPFCQPVOW-WDEREUQCSA-N 0 0 341.654 2.919 40 0 EFABRN CCS(=O)(=O)[C@](C)(Br)[C@H](O)c1cccc(Cl)c1 ZINC000096521343 473456703 /nfs/dbraw/zinc/45/67/03/473456703.db2.gz XSDDFBPKCFTFDG-MNOVXSKESA-N 0 0 341.654 2.919 40 0 EFABRN CC(C)c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)no1 ZINC000096181197 473322585 /nfs/dbraw/zinc/32/25/85/473322585.db2.gz COIUXTYURKQTQQ-UHFFFAOYSA-N 0 0 331.391 2.895 40 0 EFABRN C[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1)c1ccncc1 ZINC000096181105 473323375 /nfs/dbraw/zinc/32/33/75/473323375.db2.gz RWTZDRKTPQQYOY-RBOXIYTFSA-N 0 0 329.425 2.540 40 0 EFABRN CCN(CC)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2CC ZINC000096183034 473324030 /nfs/dbraw/zinc/32/40/30/473324030.db2.gz FIDRHWHLIWNFRB-UHFFFAOYSA-N 0 0 338.473 2.751 40 0 EFABRN COc1c(Br)c(C(=O)Nc2nc(C)c(C)s2)nn1C ZINC000096182458 473324133 /nfs/dbraw/zinc/32/41/33/473324133.db2.gz PMJHBQCTYPTLQR-UHFFFAOYSA-N 0 0 345.222 2.517 40 0 EFABRN Cc1nnc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)s1 ZINC000096181835 473324211 /nfs/dbraw/zinc/32/42/11/473324211.db2.gz IDOCBXPGANXLRW-JSGCOSHPSA-N 0 0 348.403 2.534 40 0 EFABRN COc1c(C(=O)Nc2cccc(C)n2)nnn1Cc1ccc(C)cc1 ZINC000096183352 473324219 /nfs/dbraw/zinc/32/42/19/473324219.db2.gz YEFFHIODJQQWTG-UHFFFAOYSA-N 0 0 337.383 2.599 40 0 EFABRN Cc1nnc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2Cl)s1 ZINC000096183514 473324245 /nfs/dbraw/zinc/32/42/45/473324245.db2.gz LWDGBGADJRRBOO-UHFFFAOYSA-N 0 0 348.819 2.700 40 0 EFABRN Cc1cc(NC(=O)c2nnn(Cc3ccc(C)cc3)c2Cl)n(C)n1 ZINC000096183518 473324575 /nfs/dbraw/zinc/32/45/75/473324575.db2.gz JYHCIABUCBYRCC-UHFFFAOYSA-N 0 0 344.806 2.582 40 0 EFABRN Cc1ccc([C@H]2[C@@H](C(=O)NCc3ccccc3F)CC(=O)N2C)cc1 ZINC000096181260 473324626 /nfs/dbraw/zinc/32/46/26/473324626.db2.gz SZFHXANQWMGTRZ-LPHOPBHVSA-N 0 0 340.398 2.970 40 0 EFABRN Cc1ccc(Cn2nnc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2Cl)cc1 ZINC000096183533 473324793 /nfs/dbraw/zinc/32/47/93/473324793.db2.gz MTIZIPAKWXXLCN-CHWSQXEVSA-N 0 0 348.834 2.538 40 0 EFABRN O=C(NCCc1ccccc1)c1nnn(Cc2ccccc2)c1Cl ZINC000096183432 473324861 /nfs/dbraw/zinc/32/48/61/473324861.db2.gz VYDZCOGPRFYBNA-UHFFFAOYSA-N 0 0 340.814 2.952 40 0 EFABRN CCn1ccc(C(=O)NCC2(c3ccc(C)cc3)CCOCC2)n1 ZINC000096182500 473324948 /nfs/dbraw/zinc/32/49/48/473324948.db2.gz UVWDBRCSOHFKHE-UHFFFAOYSA-N 0 0 327.428 2.690 40 0 EFABRN COc1c(C(=O)Nc2nc(C)c(C)s2)nnn1Cc1ccccc1 ZINC000096183445 473325211 /nfs/dbraw/zinc/32/52/11/473325211.db2.gz PNOKUACFRYIHME-UHFFFAOYSA-N 0 0 343.412 2.661 40 0 EFABRN CN(Cc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185985 473326461 /nfs/dbraw/zinc/32/64/61/473326461.db2.gz FYKGBHZBZNTZSW-INMHGKMJSA-N 0 0 346.452 2.845 40 0 EFABRN CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)NCc2cccc(F)c2)O1 ZINC000096186649 473328874 /nfs/dbraw/zinc/32/88/74/473328874.db2.gz YXSHXOBUJWDXOI-IKGGRYGDSA-N 0 0 336.407 2.694 40 0 EFABRN O=C(c1ccsc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC000096187897 473329722 /nfs/dbraw/zinc/32/97/22/473329722.db2.gz RLDSATZULSGDLM-CQSZACIVSA-N 0 0 331.441 2.643 40 0 EFABRN O=C(Cc1ccccn1)N1CCc2c(COCC3CC3)cncc2C1 ZINC000096189406 473330425 /nfs/dbraw/zinc/33/04/25/473330425.db2.gz SRKLYQRYULZKSM-UHFFFAOYSA-N 0 0 337.423 2.531 40 0 EFABRN CCn1nc(C)cc1NC(=O)[C@]1(C)CC(c2cccc(F)c2)=NO1 ZINC000096192938 473332161 /nfs/dbraw/zinc/33/21/61/473332161.db2.gz 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/nfs/dbraw/zinc/33/58/46/473335846.db2.gz SZKYCMZPKCNCAC-UHFFFAOYSA-N 0 0 348.454 2.817 40 0 EFABRN CCc1cnc(N2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)nc1 ZINC000096199601 473335908 /nfs/dbraw/zinc/33/59/08/473335908.db2.gz DOQLSYHQFJEKLU-KRWDZBQOSA-N 0 0 336.439 2.682 40 0 EFABRN O=C([C@H]1CCOC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC000096200095 473336292 /nfs/dbraw/zinc/33/62/92/473336292.db2.gz GVTLXQGXLVMONB-GBESFXJTSA-N 0 0 329.440 2.662 40 0 EFABRN COCCO[C@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200515 473336384 /nfs/dbraw/zinc/33/63/84/473336384.db2.gz WDPVPFGIXQUUFB-IRXDYDNUSA-N 0 0 346.452 2.632 40 0 EFABRN CCOC[C@@H]1CN(Cc2cccnc2)Cc2cn(CC3CC3)nc21 ZINC000096198157 473334662 /nfs/dbraw/zinc/33/46/62/473334662.db2.gz UZKUYUKRNBJIPW-SFHVURJKSA-N 0 0 326.444 2.824 40 0 EFABRN c1ncn2c1CN(Cc1ccccn1)C[C@@H](COCc1ccncc1)C2 ZINC000096208006 473343426 /nfs/dbraw/zinc/34/34/26/473343426.db2.gz SCPMOGDUULBOEI-GOSISDBHSA-N 0 0 349.438 2.522 40 0 EFABRN O=C(c1ccccc1)N1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096206776 473341383 /nfs/dbraw/zinc/34/13/83/473341383.db2.gz YINYSLNCGQYSDO-YLJYHZDGSA-N 0 0 337.423 2.957 40 0 EFABRN Cc1cccc(CN2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 ZINC000096209174 473344612 /nfs/dbraw/zinc/34/46/12/473344612.db2.gz RGDHQBBPAYEBRN-QGZVFWFLSA-N 0 0 349.438 2.693 40 0 EFABRN CCOC[C@H]1COCCC12CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC000096208754 473344994 /nfs/dbraw/zinc/34/49/94/473344994.db2.gz OSBAUTPRIUBNCA-SFHVURJKSA-N 0 0 346.471 2.994 40 0 EFABRN CCOC[C@@H]1COCCC12CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC000096208753 473345140 /nfs/dbraw/zinc/34/51/40/473345140.db2.gz OSBAUTPRIUBNCA-GOSISDBHSA-N 0 0 346.471 2.994 40 0 EFABRN Cc1nc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096216846 473349480 /nfs/dbraw/zinc/34/94/80/473349480.db2.gz JGJSOIXEVGKTGM-QGZVFWFLSA-N 0 0 329.473 2.734 40 0 EFABRN CCN(C)c1ccnc([C@@H]2COCCN2C(=O)c2sccc2C)n1 ZINC000096217757 473350641 /nfs/dbraw/zinc/35/06/41/473350641.db2.gz XIPRITSHICXDSK-ZDUSSCGKSA-N 0 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343.408 2.684 40 0 EFABRN COc1cccc(/C=C2\NC(=S)N(Cc3ccco3)C2=O)c1OC ZINC000015253987 471895178 /nfs/dbraw/zinc/89/51/78/471895178.db2.gz GREJLRKEJWZAKS-LCYFTJDESA-N 0 0 344.392 2.555 40 0 EFABRN CC(=O)N1CCc2cc(S(=O)(=O)Oc3cccc(F)c3)ccc21 ZINC000015323539 471898928 /nfs/dbraw/zinc/89/89/28/471898928.db2.gz DHHBQMWARUXLMB-UHFFFAOYSA-N 0 0 335.356 2.502 40 0 EFABRN CC(=O)N1CCc2cc(S(=O)(=O)Oc3cc(C)cc(C)c3)ccc21 ZINC000015324146 471899327 /nfs/dbraw/zinc/89/93/27/471899327.db2.gz VWPAXEDWEYBWSK-UHFFFAOYSA-N 0 0 345.420 2.980 40 0 EFABRN COc1cc(-n2c(=O)[nH]c3ccccc3c2=O)c(OC)cc1Cl ZINC000015424664 471905571 /nfs/dbraw/zinc/90/55/71/471905571.db2.gz GENGUAFHVWHDBF-UHFFFAOYSA-N 0 0 332.743 2.762 40 0 EFABRN Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccnc3)n2)c1 ZINC000015674388 471914083 /nfs/dbraw/zinc/91/40/83/471914083.db2.gz ORKMRLUIMPMONB-SJORKVTESA-N 0 0 336.395 2.748 40 0 biogenic,in-vitro EFABRN Cc1ccccc1OCC(=O)Nc1nn2c(CC(C)C)nnc2s1 ZINC000015674581 471914596 /nfs/dbraw/zinc/91/45/96/471914596.db2.gz MUSSRZUDZZPOAL-UHFFFAOYSA-N 0 0 345.428 2.710 40 0 EFABRN CC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C)sc2n1 ZINC000015731950 471914788 /nfs/dbraw/zinc/91/47/88/471914788.db2.gz IWVMNUVSCGZYNS-UHFFFAOYSA-N 0 0 346.437 2.710 40 0 EFABRN CC(C)Cc1nn2c(nc(COC(=O)C3CCCCC3)cc2=O)s1 ZINC000015734034 471915831 /nfs/dbraw/zinc/91/58/31/471915831.db2.gz DXTUXBXEBFLDKV-UHFFFAOYSA-N 0 0 349.456 2.973 40 0 EFABRN Cc1ccc(C(=O)OCc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000015733973 471916146 /nfs/dbraw/zinc/91/61/46/471916146.db2.gz WPFFGWCEOYFAPD-UHFFFAOYSA-N 0 0 343.408 2.940 40 0 EFABRN CCOc1ccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)cc1 ZINC000015734141 471916218 /nfs/dbraw/zinc/91/62/18/471916218.db2.gz DYOZDDBBGXJLKU-UHFFFAOYSA-N 0 0 344.392 2.820 40 0 EFABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016022893 471922913 /nfs/dbraw/zinc/92/29/13/471922913.db2.gz WEBTUVLPHTYUTJ-ZDUSSCGKSA-N 0 0 344.436 2.528 40 0 EFABRN COc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c1 ZINC000016029502 471924616 /nfs/dbraw/zinc/92/46/16/471924616.db2.gz DVUWNQLWXGWMMH-ZDUSSCGKSA-N 0 0 340.379 2.695 40 0 EFABRN CCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000016183464 471927329 /nfs/dbraw/zinc/92/73/29/471927329.db2.gz FZYYLCOUPZKYDV-UHFFFAOYSA-N 0 0 333.409 2.997 40 0 EFABRN CN(CCCNC(=O)c1ccc(F)cc1)C(=O)c1ccc(F)cc1 ZINC000016188523 471927519 /nfs/dbraw/zinc/92/75/19/471927519.db2.gz ZTBBBESGLINXQX-UHFFFAOYSA-N 0 0 332.350 2.857 40 0 EFABRN CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000016162454 471927639 /nfs/dbraw/zinc/92/76/39/471927639.db2.gz JPRSMRFXIZLTRE-UHFFFAOYSA-N 0 0 332.425 2.508 40 0 EFABRN O=C(Cn1ncn(-n2cccc2)c1=S)Nc1cccc(Cl)c1 ZINC000016777947 471949930 /nfs/dbraw/zinc/94/99/30/471949930.db2.gz MFVKAPYVWXHEAS-UHFFFAOYSA-N 0 0 333.804 2.819 40 0 EFABRN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21OC(=O)CS1 ZINC000017068025 471954941 /nfs/dbraw/zinc/95/49/41/471954941.db2.gz YAECNZAXHGGUOP-KRWDZBQOSA-N 0 0 331.393 2.680 40 0 EFABRN Cc1noc(C)c1S(=O)(=O)NCCSc1ccc(C)cc1 ZINC000017331794 471961224 /nfs/dbraw/zinc/96/12/24/471961224.db2.gz SFLOVODVMFRIIR-UHFFFAOYSA-N 0 0 326.443 2.670 40 0 EFABRN C[C@@H]1CCC[C@H](C)N1C(=O)OCC12CO[C@]3(C)CC[C@](C)(OC1)N23 ZINC000017352505 471961756 /nfs/dbraw/zinc/96/17/56/471961756.db2.gz IIZTVTSZAVGEOG-SSAZZLEASA-N 0 0 338.448 2.713 40 0 EFABRN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000017395868 471962734 /nfs/dbraw/zinc/96/27/34/471962734.db2.gz KONXPZCAMSVYMV-UHFFFAOYSA-N 0 0 336.388 2.637 40 0 EFABRN Ic1ccc(-c2nc3c[nH]nc3s2)cc1 ZINC000017957932 471966061 /nfs/dbraw/zinc/96/60/61/471966061.db2.gz HOWLOQPSHHAYEL-QMMMGPOBSA-N 0 0 327.150 2.551 40 0 EFABRN COc1ccccc1[C@@H](C)NC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000017971109 471966859 /nfs/dbraw/zinc/96/68/59/471966859.db2.gz IHJXXOPKMCEZAL-GFCCVEGCSA-N 0 0 343.379 2.966 40 0 EFABRN O=C(CSc1nccc(=O)[nH]1)Nc1nc(-c2ccccc2)cs1 ZINC000018069118 471967898 /nfs/dbraw/zinc/96/78/98/471967898.db2.gz XURSFXNALSJROZ-UHFFFAOYSA-N 0 0 344.421 2.624 40 0 EFABRN O=c1[nH]c2ccccc2nc1C=CNC(=S)NCc1ccccc1 ZINC000018178676 471971574 /nfs/dbraw/zinc/97/15/74/471971574.db2.gz HEIHLAQGBSXOMU-ZHACJKMWSA-N 0 0 336.420 2.970 40 0 EFABRN COc1ccc(-c2nnc(COC(=O)c3ccc(O)cc3)o2)cc1 ZINC000018321435 471974743 /nfs/dbraw/zinc/97/47/43/471974743.db2.gz WAPASOTWTSGQAM-UHFFFAOYSA-N 0 0 326.308 2.808 40 0 EFABRN Nc1nc(COC(=O)COc2ccc3c(c2)CCC3)nc2ccccc12 ZINC000018259869 471974863 /nfs/dbraw/zinc/97/48/63/471974863.db2.gz HIFPMNOVDBDQQY-UHFFFAOYSA-N 0 0 349.390 2.823 40 0 EFABRN CC(C)(C)C(=O)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019081340 471976532 /nfs/dbraw/zinc/97/65/32/471976532.db2.gz HRYKEMCMUKZSMD-AWEZNQCLSA-N 0 0 326.400 2.954 40 0 EFABRN COc1ccc(CN(C)S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019077775 471976762 /nfs/dbraw/zinc/97/67/62/471976762.db2.gz LCBLFSPCXYLRTI-UHFFFAOYSA-N 0 0 349.437 2.521 40 0 EFABRN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019081338 471976946 /nfs/dbraw/zinc/97/69/46/471976946.db2.gz HRYKEMCMUKZSMD-CQSZACIVSA-N 0 0 326.400 2.954 40 0 EFABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1 ZINC000019118086 471977504 /nfs/dbraw/zinc/97/75/04/471977504.db2.gz BQDLMMDHPCZZQF-MRXNPFEDSA-N 0 0 341.411 2.796 40 0 EFABRN Cc1cc(-c2cc3nc(C)c(C)c(N4C[C@@H](C)O[C@@H](C)C4)n3n2)no1 ZINC000019119552 471977578 /nfs/dbraw/zinc/97/75/78/471977578.db2.gz VWPRTANIEDPOGH-TXEJJXNPSA-N 0 0 341.415 2.923 40 0 EFABRN C[C@@]12C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H](c1ccccc1)N1CCCN12 ZINC000019171059 471977944 /nfs/dbraw/zinc/97/79/44/471977944.db2.gz NBIADNCGQLITLE-UEXGIBASSA-N 0 0 347.418 2.612 40 0 EFABRN Cc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(C(C)(C)C)no3)C2)cc1 ZINC000019211289 471978120 /nfs/dbraw/zinc/97/81/20/471978120.db2.gz AUPZRQGAXXVKJU-CYBMUJFWSA-N 0 0 349.456 2.854 40 0 EFABRN Cc1nonc1CC(=O)N[C@H](Cc1ccsc1)c1ncccc1C ZINC000019237620 471978694 /nfs/dbraw/zinc/97/86/94/471978694.db2.gz NCFADFYWHAJZMJ-OAHLLOKOSA-N 0 0 342.424 2.786 40 0 EFABRN Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)C(C)C)c2N)cc1 ZINC000019213075 471978978 /nfs/dbraw/zinc/97/89/78/471978978.db2.gz XBNAMHQCWHNZOG-MRXNPFEDSA-N 0 0 340.427 2.593 40 0 EFABRN O=C(NCCn1ncc(-c2ccccn2)c1C1CC1)c1ccccn1 ZINC000019402718 471980078 /nfs/dbraw/zinc/98/00/78/471980078.db2.gz SOSVHUNXWNVGPK-UHFFFAOYSA-N 0 0 333.395 2.648 40 0 EFABRN O=C(c1cccnc1)N1CCC(c2nnc(-c3ccccn3)o2)CC1 ZINC000019403453 471980157 /nfs/dbraw/zinc/98/01/57/471980157.db2.gz MGAVQFFHEBNTAV-UHFFFAOYSA-N 0 0 335.367 2.546 40 0 EFABRN C[C@H](Cn1cncn1)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000019457886 471980301 /nfs/dbraw/zinc/98/03/01/471980301.db2.gz HQXQSEXHHFOWPO-CYBMUJFWSA-N 0 0 331.395 2.682 40 0 EFABRN CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C2CCC2)cc1 ZINC000019590914 471981766 /nfs/dbraw/zinc/98/17/66/471981766.db2.gz NJIYMBZJQYRCJQ-MRXNPFEDSA-N 0 0 336.395 2.699 40 0 EFABRN O=C(C1CCCC1)N1CCO[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019687657 471983538 /nfs/dbraw/zinc/98/35/38/471983538.db2.gz HFSDNGSRJSXBKH-GOSISDBHSA-N 0 0 338.411 2.629 40 0 EFABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCCC2)ncc1C(=O)N(C)C ZINC000019754252 471984818 /nfs/dbraw/zinc/98/48/18/471984818.db2.gz HSFMEMXWJLQIPS-INIZCTEOSA-N 0 0 344.459 2.731 40 0 EFABRN CC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000019946105 471985494 /nfs/dbraw/zinc/98/54/94/471985494.db2.gz ZMPYBVCNAARZDQ-HNNXBMFYSA-N 0 0 346.452 2.797 40 0 EFABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)c(O)c(C)c2)C1=O ZINC000033684102 471985791 /nfs/dbraw/zinc/98/57/91/471985791.db2.gz OHFHDJUGPQJASI-ZWSXMNCCSA-N 0 0 349.408 2.997 40 0 EFABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)c(O)c(C)c2)C1=O ZINC000033684100 471985799 /nfs/dbraw/zinc/98/57/99/471985799.db2.gz OHFHDJUGPQJASI-KAQJVSAMSA-N 0 0 349.408 2.997 40 0 EFABRN COc1cc2ccccc2cc1C(=O)Nn1c(C)nnc1SC ZINC000033792734 471986249 /nfs/dbraw/zinc/98/62/49/471986249.db2.gz MFPDJTCKBAAWTE-UHFFFAOYSA-N 0 0 328.397 2.854 40 0 EFABRN C[C@H](C(=O)NC(C)(C)C)N1c2cccc3cccc(c23)S1(=O)=O ZINC000033735946 471987013 /nfs/dbraw/zinc/98/70/13/471987013.db2.gz NCDVGFACSIWDAG-LLVKDONJSA-N 0 0 332.425 2.652 40 0 EFABRN COC(=O)Oc1ccc([C@@H]2Nc3ccccc3C(=O)N2)cc1OC ZINC000020244050 471988414 /nfs/dbraw/zinc/98/84/14/471988414.db2.gz VPQGDTAVOJDXGN-OAHLLOKOSA-N 0 0 328.324 2.695 40 0 EFABRN Cc1cc([C@H](C)NC(=O)C2CCN(c3cnccn3)CC2)c(C)o1 ZINC000067083770 471990482 /nfs/dbraw/zinc/99/04/82/471990482.db2.gz BJSWDXKPVLKPFC-ZDUSSCGKSA-N 0 0 328.416 2.780 40 0 EFABRN O=C(Nc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2cccnc21 ZINC000035313709 471995033 /nfs/dbraw/zinc/99/50/33/471995033.db2.gz LKUNEEGHOROBKD-UHFFFAOYSA-N 0 0 349.346 2.583 40 0 EFABRN CCCCNC(=O)CSc1nnc2c3ccccc3n(C)c2n1 ZINC000035289264 471995223 /nfs/dbraw/zinc/99/52/23/471995223.db2.gz PNFLNBMZEZOLEX-UHFFFAOYSA-N 0 0 329.429 2.525 40 0 EFABRN COc1ccc(Nc2cc(C(F)(F)F)nc3ncnn32)cc1OC ZINC000035314628 471995444 /nfs/dbraw/zinc/99/54/44/471995444.db2.gz WRXGGJPXEQRBFL-UHFFFAOYSA-N 0 0 339.277 2.904 40 0 EFABRN CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(NCCOC)nc2)no1 ZINC000035425205 471997093 /nfs/dbraw/zinc/99/70/93/471997093.db2.gz JKSPPVMSGLAQQV-AWEZNQCLSA-N 0 0 331.420 2.737 40 0 biogenic,in-vitro EFABRN C[C@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(F)cc1Cl)nn2C ZINC000035597840 471997129 /nfs/dbraw/zinc/99/71/29/471997129.db2.gz UVRHQYCHJHBEGA-ZETCQYMHSA-N 0 0 336.754 2.911 40 0 EFABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000021347118 471999617 /nfs/dbraw/zinc/99/96/17/471999617.db2.gz ZIIGSHQFJGHDET-INIZCTEOSA-N 0 0 338.407 2.673 40 0 EFABRN COC(=O)c1ccccc1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000036397076 472001492 /nfs/dbraw/zinc/00/14/92/472001492.db2.gz MSYAGDGXWVBGPR-MRXNPFEDSA-N 0 0 342.326 2.744 40 0 EFABRN CCc1nnc2sc(Cn3nc(C(F)F)cc3C(F)F)nn12 ZINC000036613011 472002046 /nfs/dbraw/zinc/00/20/46/472002046.db2.gz GLLVKIFLYKVFAJ-UHFFFAOYSA-N 0 0 334.302 2.868 40 0 EFABRN CS(=O)(=O)Nc1ccccc1CNC(=O)c1ccccc1Cl ZINC000036397223 472002318 /nfs/dbraw/zinc/00/23/18/472002318.db2.gz KMWLITAOKHZVJF-UHFFFAOYSA-N 0 0 338.816 2.642 40 0 EFABRN 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Cc1ccc([C@]2(C)NC(=O)N(Cc3c(C)nc4ccccn43)C2=O)o1 ZINC000096424893 473404182 /nfs/dbraw/zinc/40/41/82/473404182.db2.gz LPZIUVNHHKZXPE-SFHVURJKSA-N 0 0 338.367 2.511 40 0 EFABRN COc1cc(CNC(=O)[C@H](C)n2nc(C)cc2C)c2ccccc2n1 ZINC000096425935 473405050 /nfs/dbraw/zinc/40/50/50/473405050.db2.gz HPOVRCAKXLHOQM-AWEZNQCLSA-N 0 0 338.411 2.934 40 0 EFABRN Cc1cccc(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000096425849 473405094 /nfs/dbraw/zinc/40/50/94/473405094.db2.gz HNJQIBUHARVXKK-CYBMUJFWSA-N 0 0 349.427 2.958 40 0 EFABRN CCc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)o1 ZINC000096425833 473405108 /nfs/dbraw/zinc/40/51/08/473405108.db2.gz RCTSMSNHGLSBCG-SNVBAGLBSA-N 0 0 339.388 2.876 40 0 EFABRN Cc1nc(CC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)cs1 ZINC000096425886 473405136 /nfs/dbraw/zinc/40/51/36/473405136.db2.gz ODGQAMYJLWLKBX-INIZCTEOSA-N 0 0 343.452 2.614 40 0 EFABRN Cc1cccc(NC(=O)CCNC(=O)CNc2c(C)cccc2C)n1 ZINC000096426309 473405226 /nfs/dbraw/zinc/40/52/26/473405226.db2.gz 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473406818 /nfs/dbraw/zinc/40/68/18/473406818.db2.gz BBVAEQAFRBMPLD-INIZCTEOSA-N 0 0 336.461 2.877 40 0 EFABRN Cc1ccccc1C[C@@H](C)NC(=O)CNc1ccc(-n2cncn2)cc1 ZINC000096427419 473406864 /nfs/dbraw/zinc/40/68/64/473406864.db2.gz ZXEKWFOABYZIGJ-MRXNPFEDSA-N 0 0 349.438 2.735 40 0 EFABRN CC(=O)Nc1ccc(F)c(NCC(=O)N(CC(F)(F)F)C(C)C)c1 ZINC000096427407 473406993 /nfs/dbraw/zinc/40/69/93/473406993.db2.gz SAAOJHIJPRFVRP-UHFFFAOYSA-N 0 0 349.328 2.995 40 0 EFABRN CC(C)(CNS(=O)(=O)CC1CCOCC1)c1cccc(Cl)c1 ZINC000096427837 473407024 /nfs/dbraw/zinc/40/70/24/473407024.db2.gz QCAYBYBPJSXLPG-UHFFFAOYSA-N 0 0 345.892 2.964 40 0 EFABRN CC(C)c1noc(-c2ccnc(N(C)Cc3nnc4ccccn43)c2)n1 ZINC000096427347 473407192 /nfs/dbraw/zinc/40/71/92/473407192.db2.gz INLAIQYXVFHTNR-UHFFFAOYSA-N 0 0 349.398 2.934 40 0 EFABRN CSc1nnc(CNc2ccccc2N2CCC(O)CC2)s1 ZINC000096427440 473407311 /nfs/dbraw/zinc/40/73/11/473407311.db2.gz RHNKDFGEQOICPC-UHFFFAOYSA-N 0 0 336.486 2.833 40 0 EFABRN O=S(=O)(Cc1ccon1)N1CC2(CCCC2)c2c1cccc2F ZINC000096427860 473407328 /nfs/dbraw/zinc/40/73/28/473407328.db2.gz MOVDWMAKWRGGEZ-UHFFFAOYSA-N 0 0 336.388 2.976 40 0 EFABRN CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000096427756 473407349 /nfs/dbraw/zinc/40/73/49/473407349.db2.gz SDWQINOGKOMOFH-UHFFFAOYSA-N 0 0 343.399 2.953 40 0 EFABRN O=S(=O)(CC1CCOCC1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000096428122 473408226 /nfs/dbraw/zinc/40/82/26/473408226.db2.gz AOXNWZMSWQTHNB-ROUUACIJSA-N 0 0 337.485 2.744 40 0 EFABRN Cc1c(Br)cccc1C(=O)NCCc1nncn1C1CC1 ZINC000096430972 473409308 /nfs/dbraw/zinc/40/93/08/473409308.db2.gz MSDBJDCOVNTSMK-UHFFFAOYSA-N 0 0 349.232 2.656 40 0 EFABRN C/C(=C\C(=O)N[C@@H](C)Cn1cncn1)c1cccc(C(F)(F)F)c1 ZINC000096430618 473409609 /nfs/dbraw/zinc/40/96/09/473409609.db2.gz BDVHVPJNECNCES-BCMYLCSRSA-N 0 0 338.333 2.905 40 0 EFABRN CCOC1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 ZINC000096430661 473409623 /nfs/dbraw/zinc/40/96/23/473409623.db2.gz QSWMLRDCUQOFMY-SFHVURJKSA-N 0 0 344.455 2.514 40 0 EFABRN Cc1c(Br)cccc1C(=O)N1CC[S@@](=O)[C@@H](C)[C@@H]1C ZINC000096431165 473410035 /nfs/dbraw/zinc/41/00/35/473410035.db2.gz KIMZFFUQLXFOCJ-ADWYPQAOSA-N 0 0 344.274 2.739 40 0 EFABRN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CC1(Cl)Cl ZINC000096431465 473410119 /nfs/dbraw/zinc/41/01/19/473410119.db2.gz WGSZOWJOGIBVQE-CYBMUJFWSA-N 0 0 342.201 2.864 40 0 EFABRN C[C@H](CNC(=O)[C@H](C)NC(=O)C1CCC1)Oc1ccc(Cl)cc1 ZINC000096431965 473410184 /nfs/dbraw/zinc/41/01/84/473410184.db2.gz PNKZLASORBSIKC-NEPJUHHUSA-N 0 0 338.835 2.528 40 0 EFABRN C[C@@H](NC(=O)C1CCC1)C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000096431962 473410555 /nfs/dbraw/zinc/41/05/55/473410555.db2.gz PNKZLASORBSIKC-NWDGAFQWSA-N 0 0 338.835 2.528 40 0 EFABRN C[C@@H](CNC(=O)c1cnc2ccccn2c1=O)Sc1ccccc1 ZINC000096431735 473410624 /nfs/dbraw/zinc/41/06/24/473410624.db2.gz KWWPTFHTASZVCS-ZDUSSCGKSA-N 0 0 339.420 2.605 40 0 EFABRN O=C(COC[C@H]1CCCO1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000096431374 473410908 /nfs/dbraw/zinc/41/09/08/473410908.db2.gz NGNQEWNKMOFBBF-CQSZACIVSA-N 0 0 336.819 2.676 40 0 EFABRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)CCCS(C)(=O)=O)C1 ZINC000096431614 473411002 /nfs/dbraw/zinc/41/10/02/473411002.db2.gz AEUQOLBHOPOVFI-IUODEOHRSA-N 0 0 327.421 2.560 40 0 EFABRN Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000096432778 473411411 /nfs/dbraw/zinc/41/14/11/473411411.db2.gz IEDSVVKUVLNBIS-JTQLQIEISA-N 0 0 343.362 2.717 40 0 EFABRN Cc1cc(CSCC(=O)NCCc2c(F)cccc2F)on1 ZINC000096433407 473411458 /nfs/dbraw/zinc/41/14/58/473411458.db2.gz WSUCLGPBSNZMIG-UHFFFAOYSA-N 0 0 326.368 2.853 40 0 EFABRN C[C@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)[C@H](c2ccccc2)CO1 ZINC000096433342 473411579 /nfs/dbraw/zinc/41/15/79/473411579.db2.gz ZCHDUDSWCRRQCH-KXBFYZLASA-N 0 0 348.406 2.870 40 0 EFABRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1CCCOC1 ZINC000096432943 473411711 /nfs/dbraw/zinc/41/17/11/473411711.db2.gz PQJGRJIKBDEVDS-KRWDZBQOSA-N 0 0 331.460 2.573 40 0 EFABRN CCO[C@@H]1C[C@@H](NC(=O)Nc2cnc3c(c2)c(C)nn3C)C12CCC2 ZINC000096434034 473412406 /nfs/dbraw/zinc/41/24/06/473412406.db2.gz MTBICPJVKPUJAN-HUUCEWRRSA-N 0 0 343.431 2.746 40 0 EFABRN COC[C@@H]1CN(C(=O)Nc2ccc(C)c(Br)c2)CCO1 ZINC000096433932 473412516 /nfs/dbraw/zinc/41/25/16/473412516.db2.gz SNWIIWNSTDTKCD-LBPRGKRZSA-N 0 0 343.221 2.637 40 0 EFABRN CNC(=O)c1sc([C@@H](NC(=O)c2ccccc2)C2CC2)nc1C ZINC000096433584 473412630 /nfs/dbraw/zinc/41/26/30/473412630.db2.gz UJFIJTMSSUOSIC-ZDUSSCGKSA-N 0 0 329.425 2.692 40 0 EFABRN C[C@H](CCc1cccn1C)NC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000096433902 473412638 /nfs/dbraw/zinc/41/26/38/473412638.db2.gz GOLPSKWHNZRKQS-CYBMUJFWSA-N 0 0 349.456 2.571 40 0 EFABRN CCOc1ccc(NC(=O)N2CCN(Cc3ccon3)CC2)c(C)c1 ZINC000096434170 473412646 /nfs/dbraw/zinc/41/26/46/473412646.db2.gz NHEHCTWRMSMGLL-UHFFFAOYSA-N 0 0 344.415 2.731 40 0 EFABRN COc1ccc(Br)c(NC(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000096434426 473412753 /nfs/dbraw/zinc/41/27/53/473412753.db2.gz GXESHMJQVPMFQP-RNCFNFMXSA-N 0 0 343.221 2.740 40 0 EFABRN Cc1cnc(CCNC(=O)Nc2nnc(C(F)(F)F)s2)s1 ZINC000096433841 473412999 /nfs/dbraw/zinc/41/29/99/473412999.db2.gz UNHFECFUQDASTH-UHFFFAOYSA-N 0 0 337.352 2.686 40 0 EFABRN C[C@@H](CCc1cccn1C)NC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000096433925 473413014 /nfs/dbraw/zinc/41/30/14/473413014.db2.gz UDSYKGHJJUTMPI-AWEZNQCLSA-N 0 0 342.443 2.870 40 0 EFABRN CCc1nncn1CCNC(=O)Nc1ccc(C)c(C(F)(F)F)c1 ZINC000096433911 473413053 /nfs/dbraw/zinc/41/30/53/473413053.db2.gz MTDXZKHEHVKZRH-UHFFFAOYSA-N 0 0 341.337 2.989 40 0 EFABRN Cc1cc(C)n(-c2cccc(NC(=O)N[C@@H]3CCC[C@H]3CO)c2)n1 ZINC000096434130 473413202 /nfs/dbraw/zinc/41/32/02/473413202.db2.gz ZHEWAFBWPPRIQJ-WMLDXEAASA-N 0 0 328.416 2.772 40 0 EFABRN CCn1ccc2ccc(NC(=O)N3CCC(C(=O)N(C)C)CC3)cc21 ZINC000096435088 473413624 /nfs/dbraw/zinc/41/36/24/473413624.db2.gz USNCGHYWQNVHSJ-UHFFFAOYSA-N 0 0 342.443 2.993 40 0 EFABRN O=C(Nc1cccc2[nH]ccc21)N1CCN(Cc2ccon2)CC1 ZINC000096434447 473413654 /nfs/dbraw/zinc/41/36/54/473413654.db2.gz GCAGYJQLPXOVNH-UHFFFAOYSA-N 0 0 325.372 2.506 40 0 EFABRN Cc1cn(-c2ccccc2)nc1NC(=O)NC[C@](C)(O)c1ccco1 ZINC000096434727 473414043 /nfs/dbraw/zinc/41/40/43/473414043.db2.gz BAWVUJDDGQJLGP-SFHVURJKSA-N 0 0 340.383 2.803 40 0 EFABRN C[C@@H](CNC(=O)Nc1ccnc(C(=O)N(C)C)c1)Cc1cccs1 ZINC000096435065 473414171 /nfs/dbraw/zinc/41/41/71/473414171.db2.gz NSORPWUVRXJMDK-GFCCVEGCSA-N 0 0 346.456 2.845 40 0 EFABRN CCO[C@@H]1C[C@H](NC(=O)Nc2cnn(CC(F)(F)F)c2)C12CCC2 ZINC000096435005 473414463 /nfs/dbraw/zinc/41/44/63/473414463.db2.gz ABUCOUGPRPWFCR-NWDGAFQWSA-N 0 0 346.353 2.915 40 0 EFABRN O=C(COc1cc(Cl)cc(Cl)c1)NC[C@@H](O)c1ccco1 ZINC000096436108 473414799 /nfs/dbraw/zinc/41/47/99/473414799.db2.gz IARYTMJISKPRGL-GFCCVEGCSA-N 0 0 330.167 2.815 40 0 EFABRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC(=O)N1CCCC1 ZINC000096435941 473414807 /nfs/dbraw/zinc/41/48/07/473414807.db2.gz ZIHOCYLMSBPOCY-HNNXBMFYSA-N 0 0 331.460 2.804 40 0 EFABRN COCc1csc(NC(=O)N2CCN(Cc3ccccc3)CC2)n1 ZINC000096435557 473415004 /nfs/dbraw/zinc/41/50/04/473415004.db2.gz XKWGBVLECOKGHU-UHFFFAOYSA-N 0 0 346.456 2.639 40 0 EFABRN O=C(Nc1ccc(Br)c(F)c1)N1CCC[C@@H](CO)C1 ZINC000096435434 473415259 /nfs/dbraw/zinc/41/52/59/473415259.db2.gz ZLZXVKLLKOQATK-SECBINFHSA-N 0 0 331.185 2.824 40 0 EFABRN CN(CCO)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000096435498 473415675 /nfs/dbraw/zinc/41/56/75/473415675.db2.gz TVKCJYMKQQXJNN-UHFFFAOYSA-N 0 0 341.127 2.924 40 0 EFABRN CN(C)C(=O)c1cccc(CCNC(=O)NCc2ccccc2F)c1 ZINC000096437434 473416626 /nfs/dbraw/zinc/41/66/26/473416626.db2.gz FPKXTPFRNIELJU-UHFFFAOYSA-N 0 0 343.402 2.569 40 0 EFABRN Cc1n[nH]c(=S)n1CCNC(=O)c1cc(C)ccc1N1CCCC1 ZINC000096437422 473416968 /nfs/dbraw/zinc/41/69/68/473416968.db2.gz HFCOOCNWIDEVQX-UHFFFAOYSA-N 0 0 345.472 2.588 40 0 EFABRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCCC(=O)N2CCCC2)C1 ZINC000096437516 473417273 /nfs/dbraw/zinc/41/72/73/473417273.db2.gz VQQPRLVVLWSUGZ-RHSMWYFYSA-N 0 0 347.434 2.931 40 0 EFABRN Cc1cccc(=O)n1CCCCNC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000096439879 473417454 /nfs/dbraw/zinc/41/74/54/473417454.db2.gz CSJUCKHOSCQSAV-IAGOWNOFSA-N 0 0 331.460 2.911 40 0 EFABRN Cc1csc([C@@H](C)NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)n1 ZINC000096439748 473417889 /nfs/dbraw/zinc/41/78/89/473417889.db2.gz QFMPEEUCTZEMRP-BDJLRTHQSA-N 0 0 337.445 2.929 40 0 EFABRN CC[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1c(C)nn(C)c1C ZINC000096439590 473418095 /nfs/dbraw/zinc/41/80/95/473418095.db2.gz RYUSTOHXUKBOHN-LSDHHAIUSA-N 0 0 328.416 2.921 40 0 EFABRN COc1cccc(F)c1[C@H](C)NC(=O)CNC(=O)c1ccccc1C ZINC000096440991 473418371 /nfs/dbraw/zinc/41/83/71/473418371.db2.gz NQKBMOXIINQOGB-ZDUSSCGKSA-N 0 0 344.386 2.750 40 0 EFABRN Cc1ccc(N2CCC(NC(=O)N3CCS[C@H](C)[C@@H]3C)CC2)nc1 ZINC000096440808 473418642 /nfs/dbraw/zinc/41/86/42/473418642.db2.gz JHNLMRNXWWKNRW-LSDHHAIUSA-N 0 0 348.516 2.894 40 0 EFABRN O=C(OCCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccn1 ZINC000096442072 473419635 /nfs/dbraw/zinc/41/96/35/473419635.db2.gz JCLYKGNRTXTWFV-KRWDZBQOSA-N 0 0 342.370 2.611 40 0 EFABRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cscn2)C1 ZINC000096441550 473419732 /nfs/dbraw/zinc/41/97/32/473419732.db2.gz OODVFFXHOXTJAC-NSHDSACASA-N 0 0 335.395 2.766 40 0 EFABRN NC(=O)c1ccccc1COC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000096441979 473420063 /nfs/dbraw/zinc/42/00/63/473420063.db2.gz CHTMMGYXLAIXCN-KGLIPLIRSA-N 0 0 331.318 2.911 40 0 EFABRN O=C(OCCCn1ccccc1=O)[C@@H]1SCCc2ccccc21 ZINC000096441957 473420329 /nfs/dbraw/zinc/42/03/29/473420329.db2.gz MAZQFBKXENWBTG-QGZVFWFLSA-N 0 0 329.421 2.812 40 0 EFABRN CC(C)c1nn(C)c(Cl)c1C(=O)OCc1ccccc1C(N)=O ZINC000096441975 473420444 /nfs/dbraw/zinc/42/04/44/473420444.db2.gz DBGBQWHGVMJBDM-UHFFFAOYSA-N 0 0 335.791 2.653 40 0 EFABRN O=C(OCc1cc2ccccc2o1)c1cn(Cc2ccccn2)nn1 ZINC000096441848 473420644 /nfs/dbraw/zinc/42/06/44/473420644.db2.gz LZVIOETUADTZNV-UHFFFAOYSA-N 0 0 334.335 2.825 40 0 EFABRN O=C(CN(C(=O)[C@H]1CCCS1)c1ccccc1)N1CCCCC1 ZINC000096443124 473421048 /nfs/dbraw/zinc/42/10/48/473421048.db2.gz ILRAJHAVPOLEFE-MRXNPFEDSA-N 0 0 332.469 2.928 40 0 EFABRN Cc1nc(C(C)(C)NCc2nnnn2-c2ccccc2)sc1C ZINC000096443572 473421487 /nfs/dbraw/zinc/42/14/87/473421487.db2.gz LIBYOJLOTUXGFO-UHFFFAOYSA-N 0 0 328.445 2.761 40 0 EFABRN O=C(OC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccc2c[nH]nc21 ZINC000096442641 473421670 /nfs/dbraw/zinc/42/16/70/473421670.db2.gz VAZPRVQIBRPNOF-HNNXBMFYSA-N 0 0 349.390 2.768 40 0 EFABRN Cn1cc(C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cn1 ZINC000096445094 473422331 /nfs/dbraw/zinc/42/23/31/473422331.db2.gz KZPWEPGBWFDGMW-FSPWUOQZSA-N 0 0 327.403 2.754 40 0 EFABRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000096444548 473422355 /nfs/dbraw/zinc/42/23/55/473422355.db2.gz BKKGATJTCMJLKP-YPMHNXCESA-N 0 0 346.353 2.868 40 0 EFABRN Cc1nn(C)c(C)c1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 ZINC000096444856 473422571 /nfs/dbraw/zinc/42/25/71/473422571.db2.gz CPISIIJTSQLJSU-UHFFFAOYSA-N 0 0 332.351 2.784 40 0 EFABRN CN(Cc1ccsc1)C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000096444583 473422698 /nfs/dbraw/zinc/42/26/98/473422698.db2.gz DLBNGBZJFDGMMF-UHFFFAOYSA-N 0 0 330.453 2.981 40 0 EFABRN CC(C)c1nccn1CCC(=O)N1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000096444527 473422740 /nfs/dbraw/zinc/42/27/40/473422740.db2.gz BKYNVEMLSYOBHG-OAHLLOKOSA-N 0 0 348.491 2.692 40 0 EFABRN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000096445082 473422841 /nfs/dbraw/zinc/42/28/41/473422841.db2.gz QAGTXXXGLAKBRO-GOSISDBHSA-N 0 0 335.411 2.973 40 0 EFABRN Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000096444586 473422921 /nfs/dbraw/zinc/42/29/21/473422921.db2.gz VQXCQIPQBVDTQV-UHFFFAOYSA-N 0 0 346.350 2.878 40 0 EFABRN Cn1cc(C[C@@H]2CCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)C2)cn1 ZINC000096446094 473423313 /nfs/dbraw/zinc/42/33/13/473423313.db2.gz KHWXOMUJBYDAHY-MORSLUCNSA-N 0 0 342.418 2.689 40 0 EFABRN CCN(C)c1ccccc1NC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000096445994 473423401 /nfs/dbraw/zinc/42/34/01/473423401.db2.gz QGCPUAZHVCZPGK-OAHLLOKOSA-N 0 0 341.459 2.973 40 0 EFABRN CC[C@@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)c1noc(C)n1 ZINC000096445904 473423643 /nfs/dbraw/zinc/42/36/43/473423643.db2.gz CKCXAUHJHHZVDA-LLVKDONJSA-N 0 0 326.303 2.938 40 0 EFABRN CC[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1noc(C)n1 ZINC000096445919 473423932 /nfs/dbraw/zinc/42/39/32/473423932.db2.gz DHTBAUMYRZVDLB-HNNXBMFYSA-N 0 0 340.387 2.896 40 0 EFABRN COCCCNC(=O)CSCc1ccc(Br)cc1 ZINC000113932558 473424191 /nfs/dbraw/zinc/42/41/91/473424191.db2.gz QQUJWLKWDVGPPQ-UHFFFAOYSA-N 0 0 332.263 2.835 40 0 EFABRN COc1csc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 ZINC000096446246 473424211 /nfs/dbraw/zinc/42/42/11/473424211.db2.gz ZCOPVYTXCUIKGF-UHFFFAOYSA-N 0 0 327.409 2.932 40 0 EFABRN CC(C)OCCN1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000096445963 473424248 /nfs/dbraw/zinc/42/42/48/473424248.db2.gz JDDDVEHEYRQOIG-UHFFFAOYSA-N 0 0 338.452 2.547 40 0 EFABRN O=C(NC[C@H]1CCCCN1C(=O)Nc1cccnc1)c1ccccc1 ZINC000096446918 473424614 /nfs/dbraw/zinc/42/46/14/473424614.db2.gz QRARJKPSIGWLNG-QGZVFWFLSA-N 0 0 338.411 2.898 40 0 EFABRN CCc1cnc(CN(C)C(=O)Nc2nc3c(s2)COCC3)s1 ZINC000096447170 473424784 /nfs/dbraw/zinc/42/47/84/473424784.db2.gz PJPQCLMBPIRJIL-UHFFFAOYSA-N 0 0 338.458 2.899 40 0 EFABRN C[C@@H](NC(=O)NC[C@@]1(O)CCSC1)c1ccccc1C(F)(F)F ZINC000096447317 473425103 /nfs/dbraw/zinc/42/51/03/473425103.db2.gz LDEXFFYMWICDDU-YGRLFVJLSA-N 0 0 348.390 2.934 40 0 EFABRN CC(C)[C@@H](NC(=O)NCc1csc(N(C)C)n1)c1ccccn1 ZINC000096447011 473425463 /nfs/dbraw/zinc/42/54/63/473425463.db2.gz SKYJYRVSUFIRLO-CQSZACIVSA-N 0 0 333.461 2.801 40 0 EFABRN CN(C1c2ccccc2-c2ccccc21)S(=O)(=O)c1c[nH]cn1 ZINC000096449266 473426001 /nfs/dbraw/zinc/42/60/01/473426001.db2.gz VPYIMTYIKGHYHE-UHFFFAOYSA-N 0 0 325.393 2.800 40 0 EFABRN CNC(=O)[C@H](C)CN(C)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000096448434 473426196 /nfs/dbraw/zinc/42/61/96/473426196.db2.gz KTRYYFCUVPORSI-GFCCVEGCSA-N 0 0 325.412 2.784 40 0 EFABRN C[C@@H](NC(=O)NC[C@]1(O)CCSC1)c1ccc(F)cc1Cl ZINC000096447353 473426720 /nfs/dbraw/zinc/42/67/20/473426720.db2.gz FHGZRHXEILVGBS-YMTOWFKASA-N 0 0 332.828 2.707 40 0 EFABRN NC(=O)CCn1c(S[C@@H]2CCc3c2cccc3F)nnc1C1CC1 ZINC000096447690 473426846 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SSBFAXDMGNMOAX-NSHDSACASA-N 0 0 341.342 2.859 40 0 biogenic,in-vitro EFABRN CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000225441278 474212453 /nfs/dbraw/zinc/21/24/53/474212453.db2.gz PUNVGWJPPCKBBR-OAHLLOKOSA-N 0 0 342.414 2.840 40 0 EFABRN CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(C)c1 ZINC000225441324 474212500 /nfs/dbraw/zinc/21/25/00/474212500.db2.gz PUNVGWJPPCKBBR-HNNXBMFYSA-N 0 0 342.414 2.840 40 0 EFABRN O=C(Cc1ccsc1)N1CC[C@@H]2O[C@H](COCC3CC3)CC[C@@H]21 ZINC000247807040 474212840 /nfs/dbraw/zinc/21/28/40/474212840.db2.gz BXFIATRRRCDTAL-ULQDDVLXSA-N 0 0 335.469 2.866 40 0 EFABRN COc1cccnc1NC(=S)NCc1ccc(-n2ccnc2)cc1 ZINC000225455692 474213293 /nfs/dbraw/zinc/21/32/93/474213293.db2.gz KLUJXMOSROEBGN-UHFFFAOYSA-N 0 0 339.424 2.763 40 0 EFABRN Cc1ccnc(C(=O)N2CC3(C2)C[C@H](Oc2cccnc2)CS3)c1 ZINC000247822322 474213751 /nfs/dbraw/zinc/21/37/51/474213751.db2.gz HJDFDSDODTUTGR-HNNXBMFYSA-N 0 0 341.436 2.564 40 0 EFABRN COC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2ccnn21 ZINC000247816994 474213789 /nfs/dbraw/zinc/21/37/89/474213789.db2.gz BSURNJPFCRFQAR-AWEZNQCLSA-N 0 0 327.409 2.941 40 0 EFABRN COC(C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)OC ZINC000225450826 474213885 /nfs/dbraw/zinc/21/38/85/474213885.db2.gz DPUKINGLQLEEPX-GOSISDBHSA-N 0 0 342.439 2.653 40 0 EFABRN C[C@H](NC(=O)c1c[nH]nc1-c1ccsc1)[C@H](O)Cc1ccccc1 ZINC000188839107 474214125 /nfs/dbraw/zinc/21/41/25/474214125.db2.gz SKYNLZKSQZQTND-BLLLJJGKSA-N 0 0 341.436 2.860 40 0 EFABRN c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2cccnc2)n1 ZINC000247819448 474214378 /nfs/dbraw/zinc/21/43/78/474214378.db2.gz CLZKCVLEESVYPG-LZLYRXPVSA-N 0 0 345.468 2.734 40 0 EFABRN c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCCN3Cc2cccnc2)n1 ZINC000247819446 474214467 /nfs/dbraw/zinc/21/44/67/474214467.db2.gz CLZKCVLEESVYPG-JFIYKMOQSA-N 0 0 345.468 2.734 40 0 EFABRN c1ccc(CN2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)nc1 ZINC000247849821 474215180 /nfs/dbraw/zinc/21/51/80/474215180.db2.gz OIAXVSWXHZEWGM-QGZVFWFLSA-N 0 0 334.485 2.585 40 0 EFABRN COC(=O)C[C@@H](C)c1ccc(NC(=O)NCCC2(O)CCC2)cc1 ZINC000225478420 474216198 /nfs/dbraw/zinc/21/61/98/474216198.db2.gz MSWKLSKKYIZSGH-CYBMUJFWSA-N 0 0 334.416 2.780 40 0 EFABRN O=C1CCCN1CC[C@H]1CCOC12CN(Cc1cccc(Cl)c1)C2 ZINC000247857095 474216658 /nfs/dbraw/zinc/21/66/58/474216658.db2.gz KEUMMBVCDMSQKL-INIZCTEOSA-N 0 0 348.874 2.943 40 0 EFABRN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1=CCCCC1 ZINC000225480542 474216846 /nfs/dbraw/zinc/21/68/46/474216846.db2.gz GOJAGPOIMGZQAU-KRWDZBQOSA-N 0 0 326.440 2.694 40 0 EFABRN CCc1ccc2occ(C(=O)N3CCC(C(=O)N(C)C)CC3)c2c1 ZINC000225491721 474217310 /nfs/dbraw/zinc/21/73/10/474217310.db2.gz KOBYLYKZCQUFGH-UHFFFAOYSA-N 0 0 328.412 2.936 40 0 EFABRN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccc(F)c(F)c1)C2 ZINC000225493875 474217789 /nfs/dbraw/zinc/21/77/89/474217789.db2.gz GIGDPUXYQBLVHL-INIZCTEOSA-N 0 0 347.409 2.871 40 0 biogenic,in-vitro EFABRN Cc1ccn(C)c1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000225488856 474218139 /nfs/dbraw/zinc/21/81/39/474218139.db2.gz CKPIFXZQFVOFAX-AWEZNQCLSA-N 0 0 347.415 2.626 40 0 EFABRN C[C@H]1C[C@H](C(=O)Nc2nc3ccccc3nc2N2CCCC2)CO1 ZINC000225485632 474218249 /nfs/dbraw/zinc/21/82/49/474218249.db2.gz DRPZZEDTKWMOIE-STQMWFEESA-N 0 0 326.400 2.594 40 0 EFABRN COc1nccnc1O[C@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC000225494228 474218514 /nfs/dbraw/zinc/21/85/14/474218514.db2.gz FJPTVZGIAJOLSZ-LBPRGKRZSA-N 0 0 333.413 2.539 40 0 EFABRN COCCn1ccc(C(=O)N2CC[C@@H](C)c3cccc(OC)c32)n1 ZINC000225487810 474218674 /nfs/dbraw/zinc/21/86/74/474218674.db2.gz SBVLPZHPSWEABT-CYBMUJFWSA-N 0 0 329.400 2.692 40 0 EFABRN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1ccccc1F)C2 ZINC000225493927 474218709 /nfs/dbraw/zinc/21/87/09/474218709.db2.gz XWBRCRKTTXXNII-KRWDZBQOSA-N 0 0 329.419 2.732 40 0 biogenic,in-vitro EFABRN CC(C)CN(C(=O)c1cncnc1N)[C@H]1CCCc2cccnc21 ZINC000225488397 474218751 /nfs/dbraw/zinc/21/87/51/474218751.db2.gz DHPHDGKCJLBGQX-HNNXBMFYSA-N 0 0 325.416 2.630 40 0 EFABRN COc1ccc2ccccc2c1CNc1nc2c(cnn2C)c(N)n1 ZINC000225511051 474218954 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Cc1cccc(CO[C@@H]2CCOC3(CN(C(=O)c4ccco4)C3)C2)n1 ZINC000247876342 474220124 /nfs/dbraw/zinc/22/01/24/474220124.db2.gz ORNOVLKWDLOMFS-MRXNPFEDSA-N 0 0 342.395 2.573 40 0 EFABRN COCC[C@H]1CCOC12CN(C(=O)CCc1ccc(Cl)cc1)C2 ZINC000247880624 474220757 /nfs/dbraw/zinc/22/07/57/474220757.db2.gz PWMWBHPLXSODDW-HNNXBMFYSA-N 0 0 337.847 2.927 40 0 EFABRN C[C@@]1(c2ccccc2)CC(=O)N(C[C@@H](O)c2ccc(F)cc2)C1=O ZINC000225526158 474220797 /nfs/dbraw/zinc/22/07/97/474220797.db2.gz GVCCAUPJURWGKC-APWZRJJASA-N 0 0 327.355 2.576 40 0 EFABRN COC[C@@H]1CN(C(=O)c2ccccc2)Cc2c1cnn2CC1CC1 ZINC000247880615 474221084 /nfs/dbraw/zinc/22/10/84/474221084.db2.gz PWDUBINPDIOXOZ-INIZCTEOSA-N 0 0 325.412 2.679 40 0 EFABRN Cc1cccc(CN2CC3(C2)OCC[C@H]3CCOc2cccnc2)n1 ZINC000247893885 474221590 /nfs/dbraw/zinc/22/15/90/474221590.db2.gz WMEYTSDDLMOMFR-QGZVFWFLSA-N 0 0 339.439 2.845 40 0 EFABRN COC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2cncn21 ZINC000247887446 474221738 /nfs/dbraw/zinc/22/17/38/474221738.db2.gz RYWRKRKWTMZMCU-HNNXBMFYSA-N 0 0 333.819 2.699 40 0 EFABRN c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccoc2)n1 ZINC000247885536 474222017 /nfs/dbraw/zinc/22/20/17/474222017.db2.gz RNJSETOEHWTZSP-YQQAZPJKSA-N 0 0 334.441 2.932 40 0 EFABRN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000225532268 474222187 /nfs/dbraw/zinc/22/21/87/474222187.db2.gz ZUMJQZWUMJGGMC-VYDXJSESSA-N 0 0 334.460 2.534 40 0 EFABRN Cc1cccc(CO[C@H]2CSC3(CN(C(=O)c4ccco4)C3)C2)n1 ZINC000247889961 474222293 /nfs/dbraw/zinc/22/22/93/474222293.db2.gz VCCKELLOAWJAIE-OAHLLOKOSA-N 0 0 344.436 2.900 40 0 EFABRN O=C(Cc1cccs1)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 ZINC000247888634 474222810 /nfs/dbraw/zinc/22/28/10/474222810.db2.gz XPLHCLPQWJOIJN-MRXNPFEDSA-N 0 0 345.468 2.887 40 0 EFABRN COCCc1nsc(Sc2nnc(-c3cccs3)n2C)n1 ZINC000225543693 474222992 /nfs/dbraw/zinc/22/29/92/474222992.db2.gz XEENUPYDGAFJIQ-UHFFFAOYSA-N 0 0 339.471 2.735 40 0 EFABRN Cc1cccc(CN2CC3(C2)OCC[C@@H]3CCOc2ccccn2)n1 ZINC000247902716 474223360 /nfs/dbraw/zinc/22/33/60/474223360.db2.gz 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Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1cccnc1 ZINC000223468708 241654009 /nfs/dbraw/zinc/65/40/09/241654009.db2.gz XRAJMEPDIKKRTB-MSOLQXFVSA-N 0 0 349.463 2.988 40 0 EFABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223503463 241659384 /nfs/dbraw/zinc/65/93/84/241659384.db2.gz UPIBIYFKMYHXHA-MRXNPFEDSA-N 0 0 340.423 2.619 40 0 EFABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1cccc(F)c1 ZINC000224305634 241749168 /nfs/dbraw/zinc/74/91/68/241749168.db2.gz LNRJJGBSNMYNMC-UHFFFAOYSA-N 0 0 345.378 2.713 40 0 EFABRN Cc1ccc(OCCNC(=O)[C@H]2COc3ccccc3O2)cc1C ZINC000223744468 241686908 /nfs/dbraw/zinc/68/69/08/241686908.db2.gz HTIRSRCUGVUDHX-GOSISDBHSA-N 0 0 327.380 2.638 40 0 EFABRN Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c(C)c1 ZINC000223823750 241694785 /nfs/dbraw/zinc/69/47/85/241694785.db2.gz YTTLZTXBDBLWFV-UHFFFAOYSA-N 0 0 332.425 2.952 40 0 EFABRN CCOC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 ZINC000225144716 241802062 /nfs/dbraw/zinc/80/20/62/241802062.db2.gz BRWOQFYYOQEJAO-UHFFFAOYSA-N 0 0 333.409 2.997 40 0 EFABRN CCOC(=O)c1cnc(NC(=S)NC2CCCCCC2)nc1C ZINC000225195891 241808387 /nfs/dbraw/zinc/80/83/87/241808387.db2.gz GWFNSHRMCXBQSC-UHFFFAOYSA-N 0 0 336.461 2.971 40 0 EFABRN COc1ccc(CC(=O)NC[C@H]2COc3ccccc3O2)cc1C ZINC000225280967 241819873 /nfs/dbraw/zinc/81/98/73/241819873.db2.gz OTRFRBCBDWYKPZ-HNNXBMFYSA-N 0 0 327.380 2.502 40 0 EFABRN CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(N)cc1 ZINC000225313593 241822439 /nfs/dbraw/zinc/82/24/39/241822439.db2.gz JILWEFUTJAKGBR-UHFFFAOYSA-N 0 0 341.230 2.856 40 0 EFABRN COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(F)cc1 ZINC000224601881 241767297 /nfs/dbraw/zinc/76/72/97/241767297.db2.gz VTLKJTBHMDKXLJ-ZDUSSCGKSA-N 0 0 333.359 2.797 40 0 EFABRN O=C(Cc1ccc(I)cc1)NC1CC=CC1 ZINC000225406062 241849087 /nfs/dbraw/zinc/84/90/87/241849087.db2.gz ZFPNTPPEQZVRNR-UHFFFAOYSA-N 0 0 327.165 2.669 40 0 EFABRN COc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)c(OC)c1 ZINC000225433041 241860838 /nfs/dbraw/zinc/86/08/38/241860838.db2.gz CZKCYEKPNNSRPY-UHFFFAOYSA-N 0 0 327.384 2.922 40 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DMJXYFMPBHYREK-UHFFFAOYSA-N 0 0 341.396 2.627 40 0 EFABRN Cc1cnn(C[C@@H]2CN(c3ncc(Cl)cc3Cl)CCO2)c1 ZINC000225819974 242052267 /nfs/dbraw/zinc/05/22/67/242052267.db2.gz JYVLQRPJPLUNFK-LBPRGKRZSA-N 0 0 327.215 2.799 40 0 EFABRN CCC(C)(C)NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000225850968 242063691 /nfs/dbraw/zinc/06/36/91/242063691.db2.gz PDPNIWJTBWVLGM-UHFFFAOYSA-N 0 0 330.475 2.834 40 0 EFABRN COC(=O)c1ccccc1NC(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000225861173 242064213 /nfs/dbraw/zinc/06/42/13/242064213.db2.gz OCLYRQANQDOWDN-UHFFFAOYSA-N 0 0 348.358 2.597 40 0 EFABRN CCS(=O)(=O)Nc1cccc(C(=O)N(C)c2ccc(OC)cc2)c1 ZINC000225969246 242084306 /nfs/dbraw/zinc/08/43/06/242084306.db2.gz ODDSHWZXWDUSBB-UHFFFAOYSA-N 0 0 348.424 2.733 40 0 EFABRN CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc(C)c2)c1=O ZINC000225968748 242084447 /nfs/dbraw/zinc/08/44/47/242084447.db2.gz BYZUCTZPTHGZBR-UHFFFAOYSA-N 0 0 342.395 2.946 40 0 EFABRN CNC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 ZINC000225878308 242068158 /nfs/dbraw/zinc/06/81/58/242068158.db2.gz HCSPNTLWPXNDLD-UHFFFAOYSA-N 0 0 329.429 2.785 40 0 EFABRN CCOCCOc1ccc(NC(=O)C(C)(C)Br)c(C)n1 ZINC000225880378 242069495 /nfs/dbraw/zinc/06/94/95/242069495.db2.gz OGBHVSREJSPYCF-UHFFFAOYSA-N 0 0 345.237 2.917 40 0 EFABRN Cc1ccc(CNC(=S)Nc2nc(C)cc(N3CCCC3)n2)o1 ZINC000225915996 242077234 /nfs/dbraw/zinc/07/72/34/242077234.db2.gz ZYMZQFYUFHDZRH-UHFFFAOYSA-N 0 0 331.445 2.773 40 0 EFABRN CCCCCNC(=O)C[C@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000225952458 242079561 /nfs/dbraw/zinc/07/95/61/242079561.db2.gz VQIPCCQHCCEABQ-AWEZNQCLSA-N 0 0 346.880 2.627 40 0 EFABRN CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccccc2F)c1 ZINC000225967333 242081201 /nfs/dbraw/zinc/08/12/01/242081201.db2.gz PLBINDUEXVCEJC-UHFFFAOYSA-N 0 0 336.388 2.864 40 0 EFABRN CC(C)OCCCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 ZINC000225724710 242005053 /nfs/dbraw/zinc/00/50/53/242005053.db2.gz NNFLPMCCVXNUIT-UHFFFAOYSA-N 0 0 336.819 2.586 40 0 EFABRN CCCCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 ZINC000225725971 242005146 /nfs/dbraw/zinc/00/51/46/242005146.db2.gz HQCDQRKASQFQCZ-UHFFFAOYSA-N 0 0 337.217 2.680 40 0 EFABRN CCCOC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000225726685 242005579 /nfs/dbraw/zinc/00/55/79/242005579.db2.gz HKMQKINOODBYCA-UHFFFAOYSA-N 0 0 348.443 2.832 40 0 EFABRN O=C(Cn1ccc(=O)c2cc(Br)ccc21)NC1CCCC1 ZINC000225726219 242005853 /nfs/dbraw/zinc/00/58/53/242005853.db2.gz ONVZMVAISHEHMB-UHFFFAOYSA-N 0 0 349.228 2.823 40 0 EFABRN Cc1cnc(CNC(=O)c2cc(Br)cc3[nH]cnc32)o1 ZINC000225735262 242009479 /nfs/dbraw/zinc/00/94/79/242009479.db2.gz NRZARUKBXHNQRA-UHFFFAOYSA-N 0 0 335.161 2.552 40 0 EFABRN CC(C)(COCc1ccccc1)C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000225735452 242010057 /nfs/dbraw/zinc/01/00/57/242010057.db2.gz IVWHMFYDXLSGLL-MRXNPFEDSA-N 0 0 342.443 2.754 40 0 EFABRN O=C(c1ccccn1)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 ZINC000225732520 242010257 /nfs/dbraw/zinc/01/02/57/242010257.db2.gz ODCODQKQBFLMNH-GFCCVEGCSA-N 0 0 337.301 2.789 40 0 EFABRN CCCn1c2ccc(S(=O)(=O)NC(CC)CC)cc2sc1=O ZINC000225735368 242010774 /nfs/dbraw/zinc/01/07/74/242010774.db2.gz XGHCCMRASPXBPI-UHFFFAOYSA-N 0 0 342.486 2.940 40 0 EFABRN CC(C)OCCCNC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 ZINC000225736483 242012647 /nfs/dbraw/zinc/01/26/47/242012647.db2.gz JURCNBLGKUBTLG-UHFFFAOYSA-N 0 0 336.819 2.586 40 0 EFABRN CC(=O)Nc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 ZINC000225745975 242014201 /nfs/dbraw/zinc/01/42/01/242014201.db2.gz MIEYZDSSQAJWBL-UHFFFAOYSA-N 0 0 349.390 2.907 40 0 EFABRN COc1ccc(CNC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 ZINC000225743452 242014717 /nfs/dbraw/zinc/01/47/17/242014717.db2.gz LUTJPILXJHSJNG-UHFFFAOYSA-N 0 0 336.391 2.635 40 0 EFABRN COc1ccccc1NC(=O)Cn1ccc(=O)c2cc(F)ccc21 ZINC000225750615 242017595 /nfs/dbraw/zinc/01/75/95/242017595.db2.gz PPUOFDJQSGOLDZ-UHFFFAOYSA-N 0 0 326.327 2.788 40 0 EFABRN CCc1nc(CNC(=O)c2ccccc2S[C@@H](C)C(N)=O)cs1 ZINC000225762821 242023752 /nfs/dbraw/zinc/02/37/52/242023752.db2.gz XJPIFEZRIZJSPB-JTQLQIEISA-N 0 0 349.481 2.601 40 0 EFABRN CO[C@H](CSc1nnc(CN2CCCC2=O)o1)c1ccccc1 ZINC000225776824 242030290 /nfs/dbraw/zinc/03/02/90/242030290.db2.gz JFUQZFJPHWRWCW-CYBMUJFWSA-N 0 0 333.413 2.672 40 0 EFABRN CCS(=O)(=O)N(C)c1cccc(C(=O)N(C)Cc2ccccc2)c1 ZINC000225968119 242082786 /nfs/dbraw/zinc/08/27/86/242082786.db2.gz YNTUMQJWHKNSRT-UHFFFAOYSA-N 0 0 346.452 2.745 40 0 EFABRN O=C(NC[C@H]1Cc2ccccc2CO1)c1ccc(Br)o1 ZINC000225785066 242034977 /nfs/dbraw/zinc/03/49/77/242034977.db2.gz QLXWLOUVZZRQJJ-GFCCVEGCSA-N 0 0 336.185 2.913 40 0 EFABRN O=C(Nc1nccs1)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000226748554 242110419 /nfs/dbraw/zinc/11/04/19/242110419.db2.gz JWJWYLCZXZTSCY-LBPRGKRZSA-N 0 0 335.816 2.926 40 0 EFABRN O=C(NCc1nccs1)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000226748041 242110599 /nfs/dbraw/zinc/11/05/99/242110599.db2.gz VOVBUODBUSQCKT-ZDUSSCGKSA-N 0 0 349.843 2.604 40 0 EFABRN O=C(c1nc2ccccc2s1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000226753033 242112944 /nfs/dbraw/zinc/11/29/44/242112944.db2.gz GJGLOSYACBNLCM-UHFFFAOYSA-N 0 0 343.452 2.771 40 0 EFABRN Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NCc1ccco1 ZINC000226851811 242117902 /nfs/dbraw/zinc/11/79/02/242117902.db2.gz NLWGGTLEPRJJCG-CQSZACIVSA-N 0 0 325.368 2.857 40 0 EFABRN O=C(COc1ccn(-c2ccccc2)n1)NCc1cccc(F)c1 ZINC000226853246 242118015 /nfs/dbraw/zinc/11/80/15/242118015.db2.gz TXLDKJBKSDQPJB-UHFFFAOYSA-N 0 0 325.343 2.707 40 0 EFABRN CCn1nc(C)cc1NC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000227115020 242122194 /nfs/dbraw/zinc/12/21/94/242122194.db2.gz YJJMNRNJSVQPSB-QGZVFWFLSA-N 0 0 330.363 2.872 40 0 EFABRN C[C@@H](Oc1nn(-c2ccccc2)cc1Cl)C(=O)NC[C@@H]1CCCO1 ZINC000227152558 242123152 /nfs/dbraw/zinc/12/31/52/242123152.db2.gz YBCGWNDJRXKWHJ-OCCSQVGLSA-N 0 0 349.818 2.588 40 0 EFABRN O=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)N1CCC(O)CC1 ZINC000227163709 242125085 /nfs/dbraw/zinc/12/50/85/242125085.db2.gz AAALQNUKTZRVFT-UHFFFAOYSA-N 0 0 347.846 2.967 40 0 EFABRN COCc1nc2ccccc2n1C[C@H](O)COc1ccc(OC)cc1 ZINC000021659900 212237733 /nfs/dbraw/zinc/23/77/33/212237733.db2.gz UOUXRLUCNIEEMO-AWEZNQCLSA-N 0 0 342.395 2.631 40 0 EFABRN CCOc1ccc(NC(=O)c2nc(-n3cnnc3)ccc2Cl)cc1 ZINC000021721327 212244358 /nfs/dbraw/zinc/24/43/58/212244358.db2.gz NYDCMBWTHFFQEE-UHFFFAOYSA-N 0 0 343.774 2.967 40 0 EFABRN CC1CCN(c2cc(Cl)nc(NC(=S)NC3CC3)n2)CC1 ZINC000226004703 242085218 /nfs/dbraw/zinc/08/52/18/242085218.db2.gz QABPQSKVBKGULM-UHFFFAOYSA-N 0 0 325.869 2.815 40 0 EFABRN Cc1cc(Sc2ncccn2)nc(NC(=S)NC2CCCC2)n1 ZINC000226006841 242085269 /nfs/dbraw/zinc/08/52/69/242085269.db2.gz QXZGCCWKWKCNPV-UHFFFAOYSA-N 0 0 346.485 2.955 40 0 EFABRN C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CC3)n2)C1 ZINC000226004719 242086172 /nfs/dbraw/zinc/08/61/72/242086172.db2.gz HULTXUDBNDGDAX-SECBINFHSA-N 0 0 325.869 2.815 40 0 EFABRN C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NC3CC3)n2)C1 ZINC000226004728 242086328 /nfs/dbraw/zinc/08/63/28/242086328.db2.gz HULTXUDBNDGDAX-VIFPVBQESA-N 0 0 325.869 2.815 40 0 EFABRN COc1ccc2oc(=O)c(C(=O)NCc3ccccc3OC)cc2c1 ZINC000226038429 242088127 /nfs/dbraw/zinc/08/81/27/242088127.db2.gz YVVFJJOHUVOXER-UHFFFAOYSA-N 0 0 339.347 2.740 40 0 EFABRN CCCOC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000021712162 212241475 /nfs/dbraw/zinc/24/14/75/212241475.db2.gz WHXVUBBTOIERFT-JXMROGBWSA-N 0 0 349.408 2.725 40 0 EFABRN CCCCOC(=O)c1ccc(-n2nc3cc(N)c(OC)cc3n2)cc1 ZINC000226264781 242093046 /nfs/dbraw/zinc/09/30/46/242093046.db2.gz DXBKPJYKALQBQA-UHFFFAOYSA-N 0 0 340.383 2.968 40 0 EFABRN CCOc1ccccc1C(=O)N1CCN(Cc2nc(C)cs2)CC1 ZINC000021687158 212240412 /nfs/dbraw/zinc/24/04/12/212240412.db2.gz WAOSWIUTLGQHJQ-UHFFFAOYSA-N 0 0 345.468 2.808 40 0 EFABRN COc1cccc(C(=O)Nc2cc3sc(=NN)[nH]c3c(OC)c2)c1 ZINC000226310845 242096114 /nfs/dbraw/zinc/09/61/14/242096114.db2.gz CKCNTLKRCJETKG-UHFFFAOYSA-N 0 0 344.396 2.851 40 0 EFABRN COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc2sc(N)nc21 ZINC000226314521 242097605 /nfs/dbraw/zinc/09/76/05/242097605.db2.gz IXRHALVZVFYJEK-UHFFFAOYSA-N 0 0 349.437 2.996 40 0 EFABRN Cc1ccccc1OCC(=O)Nc1ccc2[nH]c(=NN)sc2c1 ZINC000226312633 242097734 /nfs/dbraw/zinc/09/77/34/242097734.db2.gz RQYIKJGBZATVML-UHFFFAOYSA-N 0 0 328.397 2.908 40 0 EFABRN Cc1cccc(-n2ccnc2S[C@H](C(=O)NC(N)=O)C(C)C)c1C ZINC000021609514 212235160 /nfs/dbraw/zinc/23/51/60/212235160.db2.gz RVCFPFZQDXCTHG-AWEZNQCLSA-N 0 0 346.456 2.801 40 0 EFABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ncccc1C ZINC000021596216 212233907 /nfs/dbraw/zinc/23/39/07/212233907.db2.gz OCFROVVDMWGOSO-UHFFFAOYSA-N 0 0 331.397 2.534 40 0 EFABRN COc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000021596181 212233659 /nfs/dbraw/zinc/23/36/59/212233659.db2.gz PDVUFQCADIAYOX-UHFFFAOYSA-N 0 0 344.392 2.593 40 0 EFABRN CC1(C)[C@H](NC(=O)Nc2ccn(Cc3ccccc3)n2)[C@@H]2CCO[C@H]21 ZINC000230096473 242230901 /nfs/dbraw/zinc/23/09/01/242230901.db2.gz YGJSZAIQOLMFOV-USXIJHARSA-N 0 0 340.427 2.866 40 0 EFABRN CCOC(=O)NC1([N-]c2ccc(Cl)c[nH+]2)Oc2ccccc2O1 ZINC000021486544 212226304 /nfs/dbraw/zinc/22/63/04/212226304.db2.gz SLFJWBYSKUDTQA-UHFFFAOYSA-N 0 0 335.747 2.976 40 0 EFABRN CCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000409364161 242565841 /nfs/dbraw/zinc/56/58/41/242565841.db2.gz VMRLCGOOSSDKLJ-UHFFFAOYSA-N 0 0 346.452 2.865 40 0 EFABRN Cc1ccc(NC(=O)Cn2cc(C(=O)C(N)=O)c3ccccc32)cc1C ZINC000408571059 242553956 /nfs/dbraw/zinc/55/39/56/242553956.db2.gz NCZAQTBUTJIPQJ-UHFFFAOYSA-N 0 0 349.390 2.565 40 0 EFABRN COC(=O)c1cc(OC(=O)c2ccc(Cl)cc2Cl)nn1C ZINC000408564085 242554037 /nfs/dbraw/zinc/55/40/37/242554037.db2.gz XOBFGVIHPBCMIM-UHFFFAOYSA-N 0 0 329.139 2.733 40 0 EFABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000408595409 242554144 /nfs/dbraw/zinc/55/41/44/242554144.db2.gz QECFELZXVVCHMY-CQSZACIVSA-N 0 0 338.473 2.698 40 0 EFABRN CCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408584120 242554373 /nfs/dbraw/zinc/55/43/73/242554373.db2.gz LVHRSJXYADVULZ-AWEZNQCLSA-N 0 0 340.489 2.848 40 0 EFABRN FC(F)COCc1nn(C(F)F)cc1I ZINC000408716499 242558727 /nfs/dbraw/zinc/55/87/27/242558727.db2.gz NQXZCXNGBLTSDS-UHFFFAOYSA-N 0 0 338.042 2.665 40 0 EFABRN COc1cc(CO)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409119740 242562542 /nfs/dbraw/zinc/56/25/42/242562542.db2.gz QDHJGDSKYMHUDV-UHFFFAOYSA-N 0 0 328.773 2.609 40 0 EFABRN CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc(C)on1 ZINC000021372306 212222957 /nfs/dbraw/zinc/22/29/57/212222957.db2.gz SIWUTPQUEWDKLD-CMDGGOBGSA-N 0 0 330.340 2.577 40 0 EFABRN C[C@H](NC(=O)[C@H](C)N1CCN(c2nccs2)CC1)c1ccccc1 ZINC000021335053 212220988 /nfs/dbraw/zinc/22/09/88/212220988.db2.gz MNRGVHHEFHLAAC-GJZGRUSLSA-N 0 0 344.484 2.531 40 0 EFABRN CS(=O)(=O)c1ccc(C(=O)Nc2cccc3cnccc32)cc1 ZINC000021217687 212216962 /nfs/dbraw/zinc/21/69/62/212216962.db2.gz LGBQVCMYVXHABN-UHFFFAOYSA-N 0 0 326.377 2.891 40 0 EFABRN CCN(CC)C(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1F ZINC000021187064 212215054 /nfs/dbraw/zinc/21/50/54/212215054.db2.gz MWORPNKCUAHZOH-OAHLLOKOSA-N 0 0 335.448 2.829 40 0 EFABRN COC(=O)c1cccc(OS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000021130536 212210229 /nfs/dbraw/zinc/21/02/29/212210229.db2.gz DAOWULSGYQEEOF-UHFFFAOYSA-N 0 0 326.757 2.894 40 0 EFABRN Cc1cc(C)cc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)c1 ZINC000021110426 212208993 /nfs/dbraw/zinc/20/89/93/212208993.db2.gz VEQUGNFBXCBKRS-LBPRGKRZSA-N 0 0 325.412 2.624 40 0 EFABRN CC(C)Cc1nn2c(nc(COC(=O)c3cccs3)cc2=O)s1 ZINC000020991597 212195319 /nfs/dbraw/zinc/19/53/19/212195319.db2.gz FADOPPBFSXWJEO-UHFFFAOYSA-N 0 0 349.437 2.768 40 0 EFABRN COc1ccccc1OCC(=O)Nc1ccc(Br)cn1 ZINC000021001753 212199843 /nfs/dbraw/zinc/19/98/43/212199843.db2.gz YANOABQPGTWXPS-UHFFFAOYSA-N 0 0 337.173 2.870 40 0 EFABRN CC(=O)c1ccc(NC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000240897331 242979688 /nfs/dbraw/zinc/97/96/88/242979688.db2.gz ISGBMLRQLLQRPX-ACJLOTCBSA-N 0 0 332.400 2.609 40 0 EFABRN O=C(/C=C\c1cccnc1)N1C[C@H](c2ncon2)[C@@H](c2ccccc2)C1 ZINC000239612052 242959298 /nfs/dbraw/zinc/95/92/98/242959298.db2.gz FIRUVEGGRSHMML-MSOLQXFVSA-N 0 0 346.390 2.888 40 0 EFABRN Cc1nnc(CNC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n1C1CC1 ZINC000242147468 243010641 /nfs/dbraw/zinc/01/06/41/243010641.db2.gz WSCMTJRVTCFINR-CYBMUJFWSA-N 0 0 346.818 2.757 40 0 EFABRN COc1ccc(Oc2ncccc2NC(=O)CC2OCCCO2)cc1 ZINC000242284606 243015397 /nfs/dbraw/zinc/01/53/97/243015397.db2.gz YIBLLWVUMGOSHH-UHFFFAOYSA-N 0 0 344.367 2.974 40 0 EFABRN CCCC(=O)Nc1nn2c(nnc2-c2ccc(OC)c(OC)c2)s1 ZINC000020902155 212184475 /nfs/dbraw/zinc/18/44/75/212184475.db2.gz NLHJMKQTPAHIIP-UHFFFAOYSA-N 0 0 347.400 2.609 40 0 EFABRN O=C(c1ccccc1F)N1CCCN(Cc2cncc(F)c2)CC1 ZINC000241776891 243001670 /nfs/dbraw/zinc/00/16/70/243001670.db2.gz RTJARXKJLPABOG-UHFFFAOYSA-N 0 0 331.366 2.708 40 0 EFABRN COC(=O)c1cncnc1NCc1ccc(N2CCCCCC2)nc1 ZINC000241897360 243005160 /nfs/dbraw/zinc/00/51/60/243005160.db2.gz TYBKKVOIDMJBFJ-UHFFFAOYSA-N 0 0 341.415 2.651 40 0 EFABRN Cc1cccc2oc(CCN[C@H](C(N)=O)c3ccc(F)cc3)nc21 ZINC000242339264 243018940 /nfs/dbraw/zinc/01/89/40/243018940.db2.gz ZGJNGYAUIHNWTL-KRWDZBQOSA-N 0 0 327.359 2.634 40 0 EFABRN COCCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O ZINC000020798034 212171899 /nfs/dbraw/zinc/17/18/99/212171899.db2.gz VTOYAGXQBZZOTP-UHFFFAOYSA-N 0 0 339.399 2.571 40 0 EFABRN NC(=O)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000020835095 212174860 /nfs/dbraw/zinc/17/48/60/212174860.db2.gz QOHLKGLAEQACHU-UHFFFAOYSA-N 0 0 331.363 2.600 40 0 EFABRN C[C@@H]1C[C@@H]1[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1ccc(Cl)cc1 ZINC000245305004 243102629 /nfs/dbraw/zinc/10/26/29/243102629.db2.gz HMBRISVVQCCVFB-SDJAHQOYSA-N 0 0 335.835 2.567 40 0 EFABRN COc1ccc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000245339053 243102721 /nfs/dbraw/zinc/10/27/21/243102721.db2.gz QFJNPEUQNWGCFV-GDBMZVCRSA-N 0 0 329.437 2.622 40 0 EFABRN COc1ccccc1C1(CNC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000245343858 243102768 /nfs/dbraw/zinc/10/27/68/243102768.db2.gz WDBYLAGNTFWDPE-KBRIMQKVSA-N 0 0 344.455 2.840 40 0 EFABRN O=C1C[C@H](N2CCc3ccccc32)C(=O)N1c1ccc(F)c(F)c1 ZINC000020634672 212158716 /nfs/dbraw/zinc/15/87/16/212158716.db2.gz HXCJNEOZESJYTR-INIZCTEOSA-N 0 0 328.318 2.659 40 0 EFABRN COc1ccc(OC)c(CCNC(=O)c2noc3c2C[C@@H](C)CC3)c1 ZINC000020572082 212147830 /nfs/dbraw/zinc/14/78/30/212147830.db2.gz ZRFUDHJMMXNCCP-LBPRGKRZSA-N 0 0 344.411 2.789 40 0 EFABRN O=c1c(O)coc(CO)c1[C@H](Nc1ccccn1)c1ccc(F)cc1 ZINC000020528636 212143321 /nfs/dbraw/zinc/14/33/21/212143321.db2.gz WASFSLYAOXTSBD-QGZVFWFLSA-N 0 0 342.326 2.573 40 0 EFABRN COCC[C@@H]1CN(C(=O)c2ccnc3ccccc32)Cc2ccnn21 ZINC000247906531 243477938 /nfs/dbraw/zinc/47/79/38/243477938.db2.gz XFFKDLNDWTUREP-OAHLLOKOSA-N 0 0 336.395 2.665 40 0 EFABRN Cc1ccc(CN2Cc3ccnn3[C@@H](COCc3cccnc3)C2)o1 ZINC000248056036 243513780 /nfs/dbraw/zinc/51/37/80/243513780.db2.gz BXFWOZKQYJUGRW-GOSISDBHSA-N 0 0 338.411 2.953 40 0 EFABRN CC[C@](O)(CCN1CCOCC1)c1ccc(Br)cc1 ZINC000020494189 212140795 /nfs/dbraw/zinc/14/07/95/212140795.db2.gz OSPKPXIIILKVRA-HNNXBMFYSA-N 0 0 328.250 2.769 40 0 EFABRN CCc1nc(CNC(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)cs1 ZINC000252479822 243762768 /nfs/dbraw/zinc/76/27/68/243762768.db2.gz BNHFOWRBESATAD-HUUCEWRRSA-N 0 0 349.431 2.862 40 0 EFABRN COC(=O)CC(C)(C)C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000252482863 243772215 /nfs/dbraw/zinc/77/22/15/243772215.db2.gz DPHMBUHTTGCYIO-ZDUSSCGKSA-N 0 0 329.400 2.639 40 0 EFABRN O=C(NOCc1ccccc1)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000252484202 243776213 /nfs/dbraw/zinc/77/62/13/243776213.db2.gz FRGRZASMXQFEMW-OAHLLOKOSA-N 0 0 330.409 2.828 40 0 EFABRN C[C@@H](CC(=O)c1ccccc1)NC(=O)C1CCN(CC(F)F)CC1 ZINC000252485202 243782625 /nfs/dbraw/zinc/78/26/25/243782625.db2.gz GPBZRSFKHLUFBH-ZDUSSCGKSA-N 0 0 338.398 2.741 40 0 EFABRN Cc1csc(C(=O)NCC[C@@H](C)[S@@](C)=O)c1Br ZINC000252494141 243805104 /nfs/dbraw/zinc/80/51/04/243805104.db2.gz NMFDPTINFKSKFU-CQLKUDPESA-N 0 0 338.292 2.706 40 0 EFABRN CCCc1nnc(NC(=O)c2ncccc2Br)s1 ZINC000252495654 243810351 /nfs/dbraw/zinc/81/03/51/243810351.db2.gz OVBPCTBRMTXDCL-UHFFFAOYSA-N 0 0 327.207 2.900 40 0 EFABRN O=C(NCc1ccc(Cl)cc1)c1cccnc1O[C@@H]1CCOC1 ZINC000252507699 243829815 /nfs/dbraw/zinc/82/98/15/243829815.db2.gz 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/nfs/dbraw/zinc/07/34/46/217073446.db2.gz LHCCGJZBBISRDW-UHFFFAOYSA-N 0 0 346.452 2.783 40 0 EFABRN Cc1cc(NC(=O)[C@@H](C)SCc2nc(N)c3ccccc3n2)on1 ZINC000078555651 217075019 /nfs/dbraw/zinc/07/50/19/217075019.db2.gz QBUUFEYYXAHLCY-SNVBAGLBSA-N 0 0 343.412 2.769 40 0 EFABRN CO[C@H](C(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1 ZINC000078555153 217075518 /nfs/dbraw/zinc/07/55/18/217075518.db2.gz JFKXFIUBTGXEFX-INIZCTEOSA-N 0 0 340.358 2.615 40 0 EFABRN COc1cccc(C[S@@](=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 ZINC000078556260 217076128 /nfs/dbraw/zinc/07/61/28/217076128.db2.gz HHHNAVDSGLGFFZ-OWJWWREXSA-N 0 0 345.464 2.991 40 0 EFABRN O=C1CNC(=O)N1CCCSCc1coc(-c2cccc(F)c2)n1 ZINC000078555731 217076259 /nfs/dbraw/zinc/07/62/59/217076259.db2.gz FMLUDIIVWWBUPE-UHFFFAOYSA-N 0 0 349.387 2.656 40 0 EFABRN C[C@@H](SCC(=O)N[C@@H]1CCCCNC1=O)c1ccc(F)cc1F ZINC000078555787 217076478 /nfs/dbraw/zinc/07/64/78/217076478.db2.gz SKZBLBMHLAHUSV-QMTHXVAHSA-N 0 0 342.411 2.544 40 0 EFABRN COc1ccc(C[S@](=O)[C@@H](C)C(=O)NC2CCCC2)cc1F ZINC000078556200 217076492 /nfs/dbraw/zinc/07/64/92/217076492.db2.gz KVAXHZBYNQMSQW-KPWVOAKYSA-N 0 0 327.421 2.530 40 0 EFABRN Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)c2ccc(F)cc2)on1 ZINC000078556402 217076568 /nfs/dbraw/zinc/07/65/68/217076568.db2.gz GPRNXXLMXGKYMR-WDEREUQCSA-N 0 0 340.376 2.625 40 0 EFABRN CN(C(=O)CCc1cccs1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078594047 217081665 /nfs/dbraw/zinc/08/16/65/217081665.db2.gz NPLXNCFCJCVHIO-MRXNPFEDSA-N 0 0 328.437 2.945 40 0 EFABRN COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2)c(OC)c1 ZINC000078607583 217084902 /nfs/dbraw/zinc/08/49/02/217084902.db2.gz POCIAFUSHWSEKM-AWEZNQCLSA-N 0 0 326.396 2.713 40 0 EFABRN Cc1cccc(Oc2ccccc2CNC(=O)[C@@H]2CCC(=O)NC2)c1 ZINC000078607416 217085445 /nfs/dbraw/zinc/08/54/45/217085445.db2.gz QKJAGYWNFQGYIK-MRXNPFEDSA-N 0 0 338.407 2.930 40 0 EFABRN CCn1nc(C)c(C(=O)N(C)c2ccc(Br)cn2)c1C ZINC000078606496 217085459 /nfs/dbraw/zinc/08/54/59/217085459.db2.gz MBEWXGTVITVIQV-UHFFFAOYSA-N 0 0 337.221 2.954 40 0 EFABRN CCn1c(CCNC(=O)CCc2cc(F)ccc2F)n[nH]c1=S ZINC000078604083 217085985 /nfs/dbraw/zinc/08/59/85/217085985.db2.gz REZKDACPULKXJU-UHFFFAOYSA-N 0 0 340.399 2.530 40 0 EFABRN COc1ccccc1NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000017743864 211971980 /nfs/dbraw/zinc/97/19/80/211971980.db2.gz JZHJHYDLUWOJDT-GFCCVEGCSA-N 0 0 348.424 2.981 40 0 EFABRN C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC000078655914 217095436 /nfs/dbraw/zinc/09/54/36/217095436.db2.gz VSPOVTCTOXYJPC-MWLCHTKSSA-N 0 0 329.227 2.506 40 0 EFABRN COC(=O)N1CCC(NC(=O)C[C@@H](C)Cc2ccccc2OC)CC1 ZINC000078655962 217095692 /nfs/dbraw/zinc/09/56/92/217095692.db2.gz WDGVQASTUNFRDN-AWEZNQCLSA-N 0 0 348.443 2.611 40 0 EFABRN CNC(=O)C1CCC(NC(=O)N[C@@H](C)c2cc(C)cc(C)c2)CC1 ZINC000078657121 217096255 /nfs/dbraw/zinc/09/62/55/217096255.db2.gz KFRRDIFLPFUBRI-UQPPLGOBSA-N 0 0 331.460 2.968 40 0 EFABRN CCc1nc(COC(=O)[C@H]2CCCN2C(=O)c2ccco2)cs1 ZINC000078657886 217096419 /nfs/dbraw/zinc/09/64/19/217096419.db2.gz FMTZURNZXLWVNP-GFCCVEGCSA-N 0 0 334.397 2.647 40 0 EFABRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCCS1(=O)=O ZINC000078657769 217097064 /nfs/dbraw/zinc/09/70/64/217097064.db2.gz KYOCVGSOEDEXAF-VIFPVBQESA-N 0 0 336.240 2.734 40 0 EFABRN O=C(NCc1cccnc1)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000078657476 217097067 /nfs/dbraw/zinc/09/70/67/217097067.db2.gz LXMUIQVDDJVEAV-UHFFFAOYSA-N 0 0 343.387 2.985 40 0 EFABRN COc1ncccc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000078664689 217097865 /nfs/dbraw/zinc/09/78/65/217097865.db2.gz WZSFWIZATZSOKM-ZDUSSCGKSA-N 0 0 340.301 2.572 40 0 EFABRN CCNC(=O)c1cccc(CNC(=O)N[C@H](C)c2csc(C)n2)c1 ZINC000078663489 217098491 /nfs/dbraw/zinc/09/84/91/217098491.db2.gz GCKRXSDXEUUXHZ-LLVKDONJSA-N 0 0 346.456 2.762 40 0 EFABRN C[C@@H]1CN(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCO1 ZINC000078664860 217098510 /nfs/dbraw/zinc/09/85/10/217098510.db2.gz NCIVWLUFYFGZMH-OCCSQVGLSA-N 0 0 338.379 2.636 40 0 EFABRN CCCO[C@@H]1CCCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1 ZINC000078671074 217099576 /nfs/dbraw/zinc/09/95/76/217099576.db2.gz NRPAFLDRDASSFK-AQRXXJNJSA-N 0 0 344.455 2.971 40 0 EFABRN C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000078673024 217099626 /nfs/dbraw/zinc/09/96/26/217099626.db2.gz MJEBLUOQQKHAKS-KOLCDFICSA-N 0 0 343.221 2.671 40 0 EFABRN C[C@@H]1C[C@H](C)CN(C(=O)COc2nc(Cc3ccc(F)cc3)no2)C1 ZINC000078672291 217099692 /nfs/dbraw/zinc/09/96/92/217099692.db2.gz GTQNFZAQGAOMQW-BETUJISGSA-N 0 0 347.390 2.683 40 0 EFABRN COC(=O)[C@@H](CNC(=O)C1CCCCCC1)Cc1ccc(O)cc1 ZINC000078678480 217100588 /nfs/dbraw/zinc/10/05/88/217100588.db2.gz BOOGLUFQJSUHPO-MRXNPFEDSA-N 0 0 333.428 2.811 40 0 EFABRN COC(=O)c1ccc(-c2noc([C@@H](C)NC(=O)c3ccoc3)n2)cc1 ZINC000078775038 217118584 /nfs/dbraw/zinc/11/85/84/217118584.db2.gz JAMCNGJEFVLXOS-SNVBAGLBSA-N 0 0 341.323 2.607 40 0 EFABRN CNC(=O)NC(=O)CCS[C@H](C)c1ccc(OC(F)F)cc1 ZINC000078714592 217107793 /nfs/dbraw/zinc/10/77/93/217107793.db2.gz IGBYGVPRTVPDAT-SECBINFHSA-N 0 0 332.372 2.928 40 0 EFABRN Cc1cc(CSCc2ccc(S(=O)(=O)N3CCCC3)o2)on1 ZINC000078714462 217107888 /nfs/dbraw/zinc/10/78/88/217107888.db2.gz LTYFEIIYFDRZTQ-UHFFFAOYSA-N 0 0 342.442 2.794 40 0 EFABRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000078727246 217110093 /nfs/dbraw/zinc/11/00/93/217110093.db2.gz OJNYTYHXCLKLMD-CQSZACIVSA-N 0 0 341.329 2.704 40 0 EFABRN O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000078727245 217110222 /nfs/dbraw/zinc/11/02/22/217110222.db2.gz OJNYTYHXCLKLMD-AWEZNQCLSA-N 0 0 341.329 2.704 40 0 EFABRN Cc1noc(C)c1CCc1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000078774920 217118773 /nfs/dbraw/zinc/11/87/73/217118773.db2.gz AMGTWGQJPMICGC-UHFFFAOYSA-N 0 0 347.396 2.530 40 0 EFABRN COc1cc2nc(NCc3ccc(C)nc3)nc(N)c2cc1OC ZINC000078876466 217136256 /nfs/dbraw/zinc/13/62/56/217136256.db2.gz MXSOAVIGPMKMRH-UHFFFAOYSA-N 0 0 325.372 2.545 40 0 EFABRN O=C(COCC(F)(F)F)NCc1ccc(Br)cc1F ZINC000078880324 217137726 /nfs/dbraw/zinc/13/77/26/217137726.db2.gz QHXFLKBEOGPBDB-UHFFFAOYSA-N 0 0 344.102 2.783 40 0 EFABRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@]2(C)CC2(Cl)Cl)C1 ZINC000078879453 217138080 /nfs/dbraw/zinc/13/80/80/217138080.db2.gz ZLJYYXWMKUVRIS-ZANVPECISA-N 0 0 337.247 2.696 40 0 EFABRN CC(C)c1nc(NC(=O)c2ccn(-c3ccccc3F)n2)n(C)n1 ZINC000078912863 217145840 /nfs/dbraw/zinc/14/58/40/217145840.db2.gz SLFKRMCYFICDHO-UHFFFAOYSA-N 0 0 328.351 2.516 40 0 EFABRN C[C@H](C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)n1ccnc1 ZINC000078918192 217147619 /nfs/dbraw/zinc/14/76/19/217147619.db2.gz UZFZIVDDQONQGJ-CQSZACIVSA-N 0 0 346.394 2.716 40 0 EFABRN CCN(C(=O)[C@H]1C[C@@H]1c1cccnc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078915207 217147726 /nfs/dbraw/zinc/14/77/26/217147726.db2.gz UMLVRPHOVRVGIQ-CEXWTWQISA-N 0 0 349.434 2.839 40 0 EFABRN CCCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000078917812 217147810 /nfs/dbraw/zinc/14/78/10/217147810.db2.gz UKFYGLFLXKGKFI-HNNXBMFYSA-N 0 0 341.415 2.591 40 0 EFABRN COCC[C@@H](C)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000078925415 217149004 /nfs/dbraw/zinc/14/90/04/217149004.db2.gz HKCWMKIXRDHLBK-RNCFNFMXSA-N 0 0 335.231 2.751 40 0 EFABRN Cc1cnc(CN2CCN(c3ccnc(-c4ccccc4)n3)CC2)cn1 ZINC000078923021 217149039 /nfs/dbraw/zinc/14/90/39/217149039.db2.gz RGJVZQDKRRYAPT-UHFFFAOYSA-N 0 0 346.438 2.564 40 0 EFABRN C[C@@H](c1ccccn1)N(C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078926198 217150109 /nfs/dbraw/zinc/15/01/09/217150109.db2.gz JGRZDOGVGXYOEX-UONOGXRCSA-N 0 0 348.447 2.793 40 0 EFABRN COCCOc1cccc(C(=O)N[C@@H]2CCc3c2cccc3O)c1 ZINC000078929054 217150156 /nfs/dbraw/zinc/15/01/56/217150156.db2.gz VYSADWAYTLZRPC-QGZVFWFLSA-N 0 0 327.380 2.835 40 0 EFABRN O=C(C[C@@H]1C=CCC1)NCCCC(=O)N1CCc2ccccc2C1 ZINC000078987574 217166766 /nfs/dbraw/zinc/16/67/66/217166766.db2.gz DHGPJQHGWOEQKJ-MRXNPFEDSA-N 0 0 326.440 2.824 40 0 EFABRN O=C(CS(=O)(=O)c1cccc(Cl)c1)Nc1cccc(F)c1 ZINC000078978774 217162349 /nfs/dbraw/zinc/16/23/49/217162349.db2.gz IKYWBOWEIFAHJM-UHFFFAOYSA-N 0 0 327.764 2.892 40 0 EFABRN O=C(CCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000078979465 217162830 /nfs/dbraw/zinc/16/28/30/217162830.db2.gz NJINWWDGFJAADH-VXGBXAGGSA-N 0 0 343.349 2.895 40 0 EFABRN C[C@H](C(=O)NCc1cccs1)S(=O)(=O)c1cccc(Cl)c1 ZINC000078978770 217162972 /nfs/dbraw/zinc/16/29/72/217162972.db2.gz YVEMXVZHYUHLFC-SNVBAGLBSA-N 0 0 343.857 2.880 40 0 EFABRN O=C(CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1ccncc1 ZINC000078979462 217163019 /nfs/dbraw/zinc/16/30/19/217163019.db2.gz NJINWWDGFJAADH-RYUDHWBXSA-N 0 0 343.349 2.895 40 0 EFABRN C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000078978814 217163250 /nfs/dbraw/zinc/16/32/50/217163250.db2.gz WBMDGVDCOPPURU-LBPRGKRZSA-N 0 0 337.828 2.819 40 0 EFABRN CN(C(=O)Nc1cccc(Cl)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000079028267 217176749 /nfs/dbraw/zinc/17/67/49/217176749.db2.gz ONJRGGYFPRJPTM-NSHDSACASA-N 0 0 349.740 2.967 40 0 EFABRN CCc1cc(CNC(=O)Nc2ccc3c(c2)CCCN3C(C)=O)[nH]n1 ZINC000079028726 217177971 /nfs/dbraw/zinc/17/79/71/217177971.db2.gz XWDRKCJQAGGBHO-UHFFFAOYSA-N 0 0 341.415 2.593 40 0 EFABRN CCCc1nc(CSc2nnc(C3CCOCC3)n2N)cs1 ZINC000079036731 217178690 /nfs/dbraw/zinc/17/86/90/217178690.db2.gz WTACPOMCYRAWTB-UHFFFAOYSA-N 0 0 339.490 2.587 40 0 EFABRN COc1cccc(C[C@@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1 ZINC000079036905 217178915 /nfs/dbraw/zinc/17/89/15/217178915.db2.gz KHIYAXXYJFNHEG-CYBMUJFWSA-N 0 0 344.386 2.829 40 0 EFABRN COc1ccc(Oc2ncccc2NC(=O)[C@H](C)n2cncn2)cc1 ZINC000079039075 217179478 /nfs/dbraw/zinc/17/94/78/217179478.db2.gz JQKNZLOEHWUIQA-LBPRGKRZSA-N 0 0 339.355 2.674 40 0 EFABRN Cc1cc(NC(=O)c2ccn(C(C)C)n2)n(-c2nc(C)cc(C)n2)n1 ZINC000079040386 217179601 /nfs/dbraw/zinc/17/96/01/217179601.db2.gz DQNLVUAZLBLHQM-UHFFFAOYSA-N 0 0 339.403 2.617 40 0 EFABRN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000079040015 217179720 /nfs/dbraw/zinc/17/97/20/217179720.db2.gz QTLMAEDOHXHYMY-ZBFHGGJFSA-N 0 0 328.416 2.860 40 0 EFABRN C[C@@H](C(=O)N(Cc1ccco1)c1ccc(F)cc1F)n1cncn1 ZINC000079039491 217179723 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472208189 /nfs/dbraw/zinc/20/81/89/472208189.db2.gz CSIHNZIVQYNUFP-LLVKDONJSA-N 0 0 327.775 2.807 40 0 EFABRN CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000043220479 472210819 /nfs/dbraw/zinc/21/08/19/472210819.db2.gz RPTAFFVANGYTGC-HNNXBMFYSA-N 0 0 340.851 2.926 40 0 EFABRN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000028196517 472217244 /nfs/dbraw/zinc/21/72/44/472217244.db2.gz GNVULFKHBGGTBT-UHFFFAOYSA-N 0 0 341.335 2.861 40 0 EFABRN Cc1nn(Cn2ccc(C(=O)NCc3ccccc3)n2)c(C)c1Cl ZINC000028238154 472218391 /nfs/dbraw/zinc/21/83/91/472218391.db2.gz QWUNJSGPDFQJOO-UHFFFAOYSA-N 0 0 343.818 2.786 40 0 EFABRN COC(=O)[C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c2ccccc12 ZINC000084784383 472218510 /nfs/dbraw/zinc/21/85/10/472218510.db2.gz WMIKAUCJBVILSG-NVXWUHKLSA-N 0 0 328.412 2.949 40 0 EFABRN CC(=O)c1ccc(NC(=O)CCn2cc(Br)cn2)cc1 ZINC000028237040 472218987 /nfs/dbraw/zinc/21/89/87/472218987.db2.gz BRASSENPVSFELS-UHFFFAOYSA-N 0 0 336.189 2.877 40 0 EFABRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c(C)nn(C)c1C ZINC000028236518 472219270 /nfs/dbraw/zinc/21/92/70/472219270.db2.gz XTXKBZOYIPGHIA-UHFFFAOYSA-N 0 0 337.427 2.769 40 0 EFABRN CCCC(=O)Nc1cccc(C(=O)Nc2nnc(COC)s2)c1 ZINC000028250629 472220133 /nfs/dbraw/zinc/22/01/33/472220133.db2.gz JKONVJXPTBMNSO-UHFFFAOYSA-N 0 0 334.401 2.675 40 0 EFABRN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000028320365 472221224 /nfs/dbraw/zinc/22/12/24/472221224.db2.gz UHDZHSXGDAFLJQ-SFHVURJKSA-N 0 0 349.394 2.648 40 0 EFABRN COC(=O)C[C@H](NC(=O)c1ccc(Br)cc1F)C1CC1 ZINC000084823132 472221458 /nfs/dbraw/zinc/22/14/58/472221458.db2.gz YBEHAQURBQFQHC-LBPRGKRZSA-N 0 0 344.180 2.660 40 0 EFABRN CCn1ncc(CNC(=O)Cc2ccc(Br)cc2)c1C ZINC000028575123 472228487 /nfs/dbraw/zinc/22/84/87/472228487.db2.gz FGDLKTRBYWVDHP-UHFFFAOYSA-N 0 0 336.233 2.833 40 0 EFABRN CCn1nc(C)c(S(=O)(=O)NCc2ccccc2Cl)c1C ZINC000028577806 472229887 /nfs/dbraw/zinc/22/98/87/472229887.db2.gz WBTVRUWTSYIDIW-UHFFFAOYSA-N 0 0 327.837 2.652 40 0 EFABRN O=S(=O)(Cc1ccccc1Cl)NCc1ccc(O)c(F)c1 ZINC000084938697 472229716 /nfs/dbraw/zinc/22/97/16/472229716.db2.gz YYVZPPYXNMWMLS-UHFFFAOYSA-N 0 0 329.780 2.804 40 0 EFABRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccco2)CC1=O ZINC000028648389 472231394 /nfs/dbraw/zinc/23/13/94/472231394.db2.gz QBPOOURNKXNLST-NSHDSACASA-N 0 0 348.786 2.611 40 0 EFABRN CCCN(Cc1ncc(C(C)C)o1)S(=O)(=O)N1CCCCC1 ZINC000085262014 472235148 /nfs/dbraw/zinc/23/51/48/472235148.db2.gz UUZQSOLPALFDRW-UHFFFAOYSA-N 0 0 329.466 2.741 40 0 EFABRN CC(C)NC(=O)O[C@H]1COCCN(c2nc3ccccc3s2)C1 ZINC000085436018 472248144 /nfs/dbraw/zinc/24/81/44/472248144.db2.gz GPAQAKHVTZXYSN-GFCCVEGCSA-N 0 0 335.429 2.636 40 0 biogenic,in-vitro EFABRN Cc1ccc(N2CCC[C@@H](C(=O)NCc3ccccc3Cl)C2)nn1 ZINC000085470841 472251896 /nfs/dbraw/zinc/25/18/96/472251896.db2.gz ONTGAKFZDQNFEJ-OAHLLOKOSA-N 0 0 344.846 2.971 40 0 EFABRN Cc1cc(C)n(-c2nc(CCNC(=O)[C@H]3CC=CCC3)cs2)n1 ZINC000085473544 472252723 /nfs/dbraw/zinc/25/27/23/472252723.db2.gz VSRYNBMHUYHAIZ-AWEZNQCLSA-N 0 0 330.457 2.961 40 0 EFABRN CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1ccccc1C)CS2 ZINC000085473859 472252799 /nfs/dbraw/zinc/25/27/99/472252799.db2.gz MSIKVIJQCCBTLD-ZDUSSCGKSA-N 0 0 343.452 2.783 40 0 EFABRN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CSc2ncc(C)c(=O)n2C1 ZINC000085473715 472253618 /nfs/dbraw/zinc/25/36/18/472253618.db2.gz ROKGWXWWKIPNAG-NSHDSACASA-N 0 0 349.843 2.874 40 0 EFABRN Cn1nc(CNC(=O)Cc2ccccc2Cl)cc1-c1ccccn1 ZINC000085556620 472257221 /nfs/dbraw/zinc/25/72/21/472257221.db2.gz SJPRPZWRTVESEC-UHFFFAOYSA-N 0 0 340.814 2.994 40 0 EFABRN COC(=O)C[C@@H](C)NC(=O)Nc1cc(Br)ccc1F ZINC000085588356 472259860 /nfs/dbraw/zinc/25/98/60/472259860.db2.gz UJIKGONGLYRVTN-SSDOTTSWSA-N 0 0 333.157 2.661 40 0 EFABRN CC[C@@H](CO)N1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 ZINC000085616768 472260516 /nfs/dbraw/zinc/26/05/16/472260516.db2.gz ZWNWIHYBEYGTLD-ZDUSSCGKSA-N 0 0 325.840 2.569 40 0 EFABRN O[C@H](C[C@@H]1CCCN1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074860 472261682 /nfs/dbraw/zinc/26/16/82/472261682.db2.gz QQRXNEXTBRKGSH-RBUKOAKNSA-N 0 0 349.438 2.750 40 0 EFABRN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cnccn1 ZINC000029242610 472261941 /nfs/dbraw/zinc/26/19/41/472261941.db2.gz LTLSUFUGQYXETQ-UHFFFAOYSA-N 0 0 340.364 2.624 40 0 EFABRN C[C@H]1Oc2ccc(NC(=O)NCCc3cccs3)cc2NC1=O ZINC000043872434 472270552 /nfs/dbraw/zinc/27/05/52/472270552.db2.gz UTXVUSDHFDBRBY-SNVBAGLBSA-N 0 0 331.397 2.832 40 0 EFABRN O=C(NCC1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000043976975 472276775 /nfs/dbraw/zinc/27/67/75/472276775.db2.gz GHKRICPPDFPUKS-UHFFFAOYSA-N 0 0 336.848 2.838 40 0 EFABRN CSc1ccccc1C(=O)NCC1CCN(c2ncccn2)CC1 ZINC000043977080 472277287 /nfs/dbraw/zinc/27/72/87/472277287.db2.gz VRCXIHONXOYKJR-UHFFFAOYSA-N 0 0 342.468 2.845 40 0 EFABRN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)Nc1ccccc1 ZINC000044003367 472278416 /nfs/dbraw/zinc/27/84/16/472278416.db2.gz XWCOOEOCNCFBEM-UHFFFAOYSA-N 0 0 329.322 2.609 40 0 EFABRN O=CN1CCc2cc(C(=O)COc3ccc4ccc(=O)oc4c3)ccc21 ZINC000044029129 472280544 /nfs/dbraw/zinc/28/05/44/472280544.db2.gz TXNMJWRUUFYXLT-UHFFFAOYSA-N 0 0 349.342 2.574 40 0 EFABRN COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(N)(=O)=O ZINC000029652922 472286355 /nfs/dbraw/zinc/28/63/55/472286355.db2.gz KRECDYRDIHLGIV-UHFFFAOYSA-N 0 0 348.424 2.718 40 0 EFABRN O=C(/C=C/c1ccccc1)NCc1ccc(CN2CCOCC2)cc1 ZINC000029714497 472290517 /nfs/dbraw/zinc/29/05/17/472290517.db2.gz ATTNLYGCQUMMDT-ZHACJKMWSA-N 0 0 336.435 2.848 40 0 EFABRN C[C@H](NC(=O)NC1CCC(O)CC1)c1cccc(N2CCCC2)c1 ZINC000086991664 472295839 /nfs/dbraw/zinc/29/58/39/472295839.db2.gz HUFKNXOZLZIATC-NXVRBGIVSA-N 0 0 331.460 2.951 40 0 EFABRN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCC(F)(F)F)c1 ZINC000029816272 472297474 /nfs/dbraw/zinc/29/74/74/472297474.db2.gz ZYXHHNDDUGZQLK-UHFFFAOYSA-N 0 0 344.362 2.985 40 0 EFABRN CCn1c2ccccc2n(C[C@@H](O)COc2cccc(C)c2)c1=O ZINC000044348680 472301113 /nfs/dbraw/zinc/30/11/13/472301113.db2.gz RSCCBNHTQOAVKO-OAHLLOKOSA-N 0 0 326.396 2.571 40 0 EFABRN COC(=O)c1cc(NC(=S)NC[C@@H]2CCCO2)ccc1Cl ZINC000044385548 472304314 /nfs/dbraw/zinc/30/43/14/472304314.db2.gz JDHIFYIFZXCBOI-JTQLQIEISA-N 0 0 328.821 2.592 40 0 EFABRN COC(=O)c1cc(NC(=S)NC[C@H]2CCCO2)ccc1Cl ZINC000044385550 472304905 /nfs/dbraw/zinc/30/49/05/472304905.db2.gz JDHIFYIFZXCBOI-SNVBAGLBSA-N 0 0 328.821 2.592 40 0 EFABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000087103647 472306033 /nfs/dbraw/zinc/30/60/33/472306033.db2.gz SNBRMUDNLJMBKZ-GXTWGEPZSA-N 0 0 345.451 2.513 40 0 EFABRN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000087103649 472306245 /nfs/dbraw/zinc/30/62/45/472306245.db2.gz SNBRMUDNLJMBKZ-TZMCWYRMSA-N 0 0 345.451 2.513 40 0 EFABRN CN(C)C(=O)CCNC(=O)N[C@@H](c1ccccc1)c1cccc(F)c1 ZINC000087134127 472309097 /nfs/dbraw/zinc/30/90/97/472309097.db2.gz AWSBTJCZMAEZOZ-SFHVURJKSA-N 0 0 343.402 2.693 40 0 EFABRN CCc1noc(CC)c1CC(=O)NCc1noc(-c2ccsc2)n1 ZINC000087208080 472315474 /nfs/dbraw/zinc/31/54/74/472315474.db2.gz NFEPFNQVQMGQOS-UHFFFAOYSA-N 0 0 346.412 2.770 40 0 EFABRN COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2)cc1F ZINC000030332633 472328403 /nfs/dbraw/zinc/32/84/03/472328403.db2.gz LLKWJMVHQUHVEA-UHFFFAOYSA-N 0 0 339.388 2.500 40 0 EFABRN O=C([C@H]1COc2ccccc21)N(CC(F)(F)F)[C@H]1CCCOC1 ZINC000087390919 472332545 /nfs/dbraw/zinc/33/25/45/472332545.db2.gz MYYPSYJAVGUTGX-AAEUAGOBSA-N 0 0 329.318 2.733 40 0 EFABRN CN(C1CCCCC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030493509 472334215 /nfs/dbraw/zinc/33/42/15/472334215.db2.gz TUJORQPCHOAWMB-UHFFFAOYSA-N 0 0 336.457 2.767 40 0 EFABRN CN(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000030499344 472335221 /nfs/dbraw/zinc/33/52/21/472335221.db2.gz WGSMBSIWNVFJKS-INIZCTEOSA-N 0 0 338.860 2.921 40 0 EFABRN COc1cc(CN2CC[C@H](NC(=O)[C@H]3CC=CCC3)C2)cc(OC)c1 ZINC000087503478 472341684 /nfs/dbraw/zinc/34/16/84/472341684.db2.gz QPARMGIBNJQDHF-IRXDYDNUSA-N 0 0 344.455 2.751 40 0 EFABRN Cc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2c1C(=O)CCC2 ZINC000044867855 472345722 /nfs/dbraw/zinc/34/57/22/472345722.db2.gz HWWJPGOQZKEJGF-UHFFFAOYSA-N 0 0 337.423 2.805 40 0 EFABRN COc1ccc(CCNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cc1 ZINC000044867928 472345834 /nfs/dbraw/zinc/34/58/34/472345834.db2.gz NDJAXABOPBIDNA-UHFFFAOYSA-N 0 0 326.396 2.823 40 0 EFABRN COC(=O)C1CCN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)CC1 ZINC000044880788 472346927 /nfs/dbraw/zinc/34/69/27/472346927.db2.gz QHBYWIDMYAEBJS-OAHLLOKOSA-N 0 0 333.428 2.791 40 0 EFABRN CN(Cc1ccc(Cl)nc1)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000030762031 472348074 /nfs/dbraw/zinc/34/80/74/472348074.db2.gz WIIOXDQXADQJCH-UHFFFAOYSA-N 0 0 341.802 2.647 40 0 EFABRN O=C(Cc1n[nH]c(=O)c2ccccc12)N[C@H](c1ccccc1)C1CC1 ZINC000044893036 472348329 /nfs/dbraw/zinc/34/83/29/472348329.db2.gz YCSLVNGQRUOVRT-LJQANCHMSA-N 0 0 333.391 2.733 40 0 EFABRN Cc1cc(NC(=O)CN(C)Cc2ccc(Br)s2)on1 ZINC000044896552 472349363 /nfs/dbraw/zinc/34/93/63/472349363.db2.gz MEXKOXUZYAYDOF-UHFFFAOYSA-N 0 0 344.234 2.878 40 0 EFABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000030852317 472350190 /nfs/dbraw/zinc/35/01/90/472350190.db2.gz DSWAEIBRJBVODI-KRWDZBQOSA-N 0 0 340.379 2.838 40 0 EFABRN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 ZINC000030850919 472350234 /nfs/dbraw/zinc/35/02/34/472350234.db2.gz XJOHECPYQFEZKZ-LBPRGKRZSA-N 0 0 329.352 2.888 40 0 EFABRN C[C@H](C(=O)N(C)C1CCCCC1)N(c1ccccc1)S(C)(=O)=O ZINC000044900131 472350785 /nfs/dbraw/zinc/35/07/85/472350785.db2.gz DILDQXJCOTWJOC-CQSZACIVSA-N 0 0 338.473 2.632 40 0 EFABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000030855903 472351097 /nfs/dbraw/zinc/35/10/97/472351097.db2.gz IOPQBQWKXWXQET-HNNXBMFYSA-N 0 0 333.409 2.887 40 0 EFABRN Cc1ccc(CN(C)C(=O)CCn2cnc3sccc3c2=O)cc1 ZINC000030898284 472352935 /nfs/dbraw/zinc/35/29/35/472352935.db2.gz RTRLYYOTCIHBEP-UHFFFAOYSA-N 0 0 341.436 2.815 40 0 EFABRN O=C(COc1ccccc1)Nc1cccn(Cc2ccccc2)c1=O ZINC000088266639 472353952 /nfs/dbraw/zinc/35/39/52/472353952.db2.gz JDWQRWIAGVELST-UHFFFAOYSA-N 0 0 334.375 2.914 40 0 EFABRN O=C(c1ccc(Cn2ccnc2)cc1)N1CC(=O)Nc2ccccc21 ZINC000030940962 472355232 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C[C@H](OC(=O)CCn1nnc2ccccc2c1=O)c1ccc(F)cc1 ZINC000031641590 472386885 /nfs/dbraw/zinc/38/68/85/472386885.db2.gz OEQDJIXOBCPWTH-LBPRGKRZSA-N 0 0 341.342 2.625 40 0 EFABRN C[C@@H](Cc1c(F)cccc1F)NC(=O)COc1ccccc1CO ZINC000089129075 472389932 /nfs/dbraw/zinc/38/99/32/472389932.db2.gz LVCRWTWEDVBYBK-LBPRGKRZSA-N 0 0 335.350 2.583 40 0 EFABRN CNC(=O)c1cccc(CCNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000128041947 472393154 /nfs/dbraw/zinc/39/31/54/472393154.db2.gz DODHJOFPLZHAPE-MRXNPFEDSA-N 0 0 341.411 2.728 40 0 EFABRN Cc1ccc(S(=O)(=O)Nc2cc(Br)c[nH]c2=O)cc1 ZINC000096760576 472397063 /nfs/dbraw/zinc/39/70/63/472397063.db2.gz RQACVRWLMNLABH-UHFFFAOYSA-N 0 0 343.202 2.659 40 0 EFABRN Cn1cc(-c2ncc(C(=O)N3CCOc4ccccc4C3)s2)cn1 ZINC000069695802 472398416 /nfs/dbraw/zinc/39/84/16/472398416.db2.gz PMGMJGHHQALNHB-UHFFFAOYSA-N 0 0 340.408 2.578 40 0 EFABRN CCCOc1ccc(S(=O)(=O)NCCCOC)c2ccccc12 ZINC000031904073 472401652 /nfs/dbraw/zinc/40/16/52/472401652.db2.gz QSNMURBQLVLRDG-UHFFFAOYSA-N 0 0 337.441 2.943 40 0 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Cc1cc(C(=O)N2Cc3ccnn3CC[C@@H]2COCC2CC2)c(C)o1 ZINC000585096906 479281113 /nfs/dbraw/zinc/28/11/13/479281113.db2.gz FIXPNDHCOXJDAR-QGZVFWFLSA-N 0 0 343.427 2.934 40 0 EFABRN COCc1nnc2n1CCN(C(=O)CCc1ccc(Cl)cc1)[C@H]2C ZINC000585096753 479281279 /nfs/dbraw/zinc/28/12/79/479281279.db2.gz CDSQEUMAPZJQMI-LBPRGKRZSA-N 0 0 348.834 2.614 40 0 EFABRN COCc1nnc2n1CCN(C(=O)c1ccc3ccccc3c1)[C@@H]2C ZINC000585097644 479281834 /nfs/dbraw/zinc/28/18/34/479281834.db2.gz OQZMUSMFEBTBOF-CYBMUJFWSA-N 0 0 336.395 2.795 40 0 EFABRN CCOC[C@H]1CCn2nccc2CN1C(=O)c1ccc(C)c(F)c1 ZINC000585098527 479281891 /nfs/dbraw/zinc/28/18/91/479281891.db2.gz ZCZXJTMUVYRQEV-MRXNPFEDSA-N 0 0 331.391 2.782 40 0 EFABRN COCCc1cnc2n1CCN(C(=O)CCc1ccccc1C)[C@H]2C ZINC000585098747 479282722 /nfs/dbraw/zinc/28/27/22/479282722.db2.gz YWCNLOFVUIMJBZ-INIZCTEOSA-N 0 0 341.455 2.916 40 0 EFABRN O=C(c1ccccc1)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1 ZINC000585102127 479283255 /nfs/dbraw/zinc/28/32/55/479283255.db2.gz ADCCKCOMERJQDW-UHFFFAOYSA-N 0 0 326.440 2.941 40 0 EFABRN Cc1ncc(CN2CC[C@@]23CCCN(C(=O)C2(F)CCC2)C3)s1 ZINC000585102290 479283304 /nfs/dbraw/zinc/28/33/04/479283304.db2.gz WFNYUCDZPCIZOP-MRXNPFEDSA-N 0 0 337.464 2.911 40 0 EFABRN Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(CC3CC3)C2=O)CC1 ZINC000585103836 479284460 /nfs/dbraw/zinc/28/44/60/479284460.db2.gz RXCMOWUCRWBUJW-IBGZPJMESA-N 0 0 345.443 2.546 40 0 EFABRN c1ccc(CN2CC3(C2)C[C@@H](OCc2cccnc2)CS3)nc1 ZINC000585105321 479285609 /nfs/dbraw/zinc/28/56/09/479285609.db2.gz TXFMFJHUUCGXSY-QGZVFWFLSA-N 0 0 327.453 2.753 40 0 EFABRN Cc1cccc(CO[C@@H]2CCOC3(CN(Cc4cccnc4)C3)C2)n1 ZINC000585104961 479285747 /nfs/dbraw/zinc/28/57/47/479285747.db2.gz MUGCNLGBAIUSMJ-LJQANCHMSA-N 0 0 339.439 2.735 40 0 EFABRN O=C(c1ccccc1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000585107216 479286169 /nfs/dbraw/zinc/28/61/69/479286169.db2.gz BRFSLIZXENSWIR-XLIONFOSSA-N 0 0 342.439 2.873 40 0 EFABRN Cc1cccc(CO[C@@H]2CCOC3(CN(Cc4ccco4)C3)C2)n1 ZINC000585105506 479286225 /nfs/dbraw/zinc/28/62/25/479286225.db2.gz YIZKYOQQXVNTNC-QGZVFWFLSA-N 0 0 328.412 2.933 40 0 EFABRN Cc1ccccc1C(=O)N1C[C@@H]2C(=O)N(Cc3cccnc3)CC[C@@H]2C1 ZINC000585107830 479287027 /nfs/dbraw/zinc/28/70/27/479287027.db2.gz IKRTYNOATDCARW-MJGOQNOKSA-N 0 0 349.434 2.511 40 0 EFABRN CCn1ncc2c1[C@H](COCC1CC1)CN(C(=O)C1(F)CCC1)C2 ZINC000585110767 479287333 /nfs/dbraw/zinc/28/73/33/479287333.db2.gz CXLPKWSJJJYLSZ-HNNXBMFYSA-N 0 0 335.423 2.648 40 0 EFABRN COCc1cccc(-c2n[nH]c3c2CCN(C(=O)[C@@H]2C[C@H]2F)CC3)c1 ZINC000585110384 479287502 /nfs/dbraw/zinc/28/75/02/479287502.db2.gz NTEIPJQNWFPSMJ-HZPDHXFCSA-N 0 0 343.402 2.508 40 0 EFABRN CCc1ccc(CN2CCc3oc(C(=O)NC(C)C)nc3C2)cc1 ZINC000585111491 479287615 /nfs/dbraw/zinc/28/76/15/479287615.db2.gz BTLJCGWPLGZNML-UHFFFAOYSA-N 0 0 327.428 2.934 40 0 EFABRN Cc1ccccc1C(=O)N1C[C@@H]2CCN(Cc3cccnc3)C(=O)[C@H]2C1 ZINC000585107828 479287666 /nfs/dbraw/zinc/28/76/66/479287666.db2.gz IKRTYNOATDCARW-HKUYNNGSSA-N 0 0 349.434 2.511 40 0 EFABRN Cc1nc(CN2C[C@H]3CN(C(=O)c4ccccc4C)C[C@@H]3C2)cs1 ZINC000585107605 479287870 /nfs/dbraw/zinc/28/78/70/479287870.db2.gz QUQORQJXSIRDMY-HOTGVXAUSA-N 0 0 341.480 2.964 40 0 EFABRN O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)C1CCCC1 ZINC000585111284 479288073 /nfs/dbraw/zinc/28/80/73/479288073.db2.gz MOESKXIYEGRPRN-SFHVURJKSA-N 0 0 339.439 2.852 40 0 EFABRN CO[C@@H]1CCN(C(=O)c2nnsc2C)C[C@H]1Cc1ccccc1 ZINC000585113509 479288421 /nfs/dbraw/zinc/28/84/21/479288421.db2.gz UWWNMIOPLCROHG-HUUCEWRRSA-N 0 0 331.441 2.566 40 0 EFABRN COC[C@H](C)NC(=O)c1nc2c(o1)CCN([C@@H](C)c1ccccc1)C2 ZINC000585112632 479288804 /nfs/dbraw/zinc/28/88/04/479288804.db2.gz SIZZSRVDURNBGO-KBPBESRZSA-N 0 0 343.427 2.559 40 0 EFABRN O=C(N[C@@H]1CC[C@@H](F)C1)c1nc2c(o1)CCN(Cc1ccccc1)C2 ZINC000585112326 479288911 /nfs/dbraw/zinc/28/89/11/479288911.db2.gz OQGNMYHBVBGNKC-HUUCEWRRSA-N 0 0 343.402 2.853 40 0 EFABRN O=C1CCCN1CC[C@H]1CN(Cc2cccs2)Cc2ccnn21 ZINC000585112668 479289179 /nfs/dbraw/zinc/28/91/79/479289179.db2.gz VAEIHARAHOVSOD-HNNXBMFYSA-N 0 0 330.457 2.514 40 0 EFABRN O=C(c1cc[nH]n1)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 ZINC000585113515 479289360 /nfs/dbraw/zinc/28/93/60/479289360.db2.gz WJQDKIRJJXLODD-IEBWSBKVSA-N 0 0 339.439 2.910 40 0 EFABRN O=C(NCC[C@@H]1CN(Cc2cccs2)Cc2ccnn21)C1CCC1 ZINC000585112547 479289693 /nfs/dbraw/zinc/28/96/93/479289693.db2.gz SOKXDNZBRGMRBF-OAHLLOKOSA-N 0 0 344.484 2.808 40 0 EFABRN Cc1cccc(CN2Cc3ccnn3[C@H](COc3ccccn3)C2)n1 ZINC000585112672 479289703 /nfs/dbraw/zinc/28/97/03/479289703.db2.gz SRCLOJZHVSSAHM-SFHVURJKSA-N 0 0 335.411 2.617 40 0 EFABRN Cn1ncc(C2CCC2)c1C(=O)N1CCN(c2cccc(F)c2)CC1 ZINC000585114291 479290615 /nfs/dbraw/zinc/29/06/15/479290615.db2.gz NKWZBRFDJXUBDT-UHFFFAOYSA-N 0 0 342.418 2.789 40 0 EFABRN O=C(N[C@H](c1ncc[nH]1)c1ccc(F)cc1)c1noc2c1CCCC2 ZINC000585124087 479292870 /nfs/dbraw/zinc/29/28/70/479292870.db2.gz ORKFKYDCWKKRJO-HNNXBMFYSA-N 0 0 340.358 2.935 40 0 EFABRN CCO[C@@H](C(=O)N1CCc2c(cnn2-c2ccccc2)C1)C(C)C ZINC000585123309 479293353 /nfs/dbraw/zinc/29/33/53/479293353.db2.gz IGYSMJUNQCVRIK-GOSISDBHSA-N 0 0 327.428 2.818 40 0 EFABRN CCCCN(C)c1ccc(C(=O)NC[C@@H]2CC(=O)N[C@@H](C)C2)cc1 ZINC000585140245 479297496 /nfs/dbraw/zinc/29/74/96/479297496.db2.gz ARLJVFFYURXTJR-GJZGRUSLSA-N 0 0 331.460 2.567 40 0 EFABRN CCCNC(=O)COc1ccc(C(F)(F)F)nc1Br ZINC000585140083 479297539 /nfs/dbraw/zinc/29/75/39/479297539.db2.gz HGCHJJCYBQERBR-UHFFFAOYSA-N 0 0 341.127 2.768 40 0 EFABRN CCCCN(C)c1ccc(C(=O)NC[C@H]2CC(=O)N[C@@H](C)C2)cc1 ZINC000585140247 479298052 /nfs/dbraw/zinc/29/80/52/479298052.db2.gz ARLJVFFYURXTJR-LSDHHAIUSA-N 0 0 331.460 2.567 40 0 EFABRN O=C(N(c1cccnc1)C1CC[NH+](CCCF)CC1)C(F)(F)F ZINC000585141265 479298711 /nfs/dbraw/zinc/29/87/11/479298711.db2.gz SIYOHJJAXFKWTC-UHFFFAOYSA-N 0 0 333.329 2.801 40 0 EFABRN Cc1cc(NC(=O)N2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)n(C)n1 ZINC000585141280 479299312 /nfs/dbraw/zinc/29/93/12/479299312.db2.gz SBDDNYARCASDRY-CHWSQXEVSA-N 0 0 336.436 2.703 40 0 EFABRN CON([C@@H](C)c1ccccc1C)S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000585142407 479299679 /nfs/dbraw/zinc/29/96/79/479299679.db2.gz WPJAXRDJKFNZJZ-AWEZNQCLSA-N 0 0 349.456 2.769 40 0 EFABRN CC(C)(CO)[C@@H](NC(=O)Nc1ccc(C2CC2)nn1)c1ccccc1 ZINC000585141824 479300094 /nfs/dbraw/zinc/30/00/94/479300094.db2.gz YZNAGSBEDCIYBY-KRWDZBQOSA-N 0 0 340.427 3.235 40 0 EFABRN Cc1cc(C)nc(O[C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000585147413 479300682 /nfs/dbraw/zinc/30/06/82/479300682.db2.gz XJYAMNNNLWBOHX-INIZCTEOSA-N 0 0 329.375 2.916 40 0 EFABRN Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)n1 ZINC000585181407 479301831 /nfs/dbraw/zinc/30/18/31/479301831.db2.gz FGNJAQRVLAYKPJ-OAHLLOKOSA-N 0 0 337.427 2.864 40 0 EFABRN Cc1cnc(NC(=O)C2CCN(c3cc4c(nn3)CCC4)CC2)s1 ZINC000585150614 479302050 /nfs/dbraw/zinc/30/20/50/479302050.db2.gz YDSPUGUTINZQDJ-UHFFFAOYSA-N 0 0 343.456 2.585 40 0 EFABRN Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCCN2C(=O)c2ccccn2)n1 ZINC000585182412 479302538 /nfs/dbraw/zinc/30/25/38/479302538.db2.gz NHYFRSUMTBXECX-INIZCTEOSA-N 0 0 348.410 2.938 40 0 EFABRN O[C@@]1(COc2cccc(F)c2)CCN(Cc2ccc(Cl)cn2)C1 ZINC000585268843 479302833 /nfs/dbraw/zinc/30/28/33/479302833.db2.gz ARAXMDIHSRFXRQ-KRWDZBQOSA-N 0 0 336.794 2.890 40 0 EFABRN Cc1nc(C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)co1 ZINC000585269237 479302862 /nfs/dbraw/zinc/30/28/62/479302862.db2.gz MOMIKVKNUZJWSW-HOTGVXAUSA-N 0 0 334.803 2.845 40 0 EFABRN CO[C@H]1CCCN(Cc2ncccc2F)[C@H]1CCC(=O)N1CCCC1 ZINC000585269487 479303030 /nfs/dbraw/zinc/30/30/30/479303030.db2.gz WJIYPKJEQJAOAH-ROUUACIJSA-N 0 0 349.450 2.603 40 0 EFABRN Cc1ccc(OC[C@@]2(O)CCN(Cc3nccn3C(C)C)C2)cc1 ZINC000585269377 479303310 /nfs/dbraw/zinc/30/33/10/479303310.db2.gz QVMHCKNMIJBZIF-LJQANCHMSA-N 0 0 329.444 2.788 40 0 EFABRN O=C(CCOc1ccccc1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585270850 479303399 /nfs/dbraw/zinc/30/33/99/479303399.db2.gz BYOMNYSNZOETAP-QUCCMNQESA-N 0 0 339.435 2.908 40 0 EFABRN CN(C)Cc1c[nH]c([C@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)n1 ZINC000585182596 479303611 /nfs/dbraw/zinc/30/36/11/479303611.db2.gz XIIWGCDOLNKXDV-GOSISDBHSA-N 0 0 339.443 2.526 40 0 EFABRN CO[C@@H]1CCCC[C@@H](NC(=O)c2oc3c(cccc3F)c2C)[C@H]1O ZINC000585271570 479304788 /nfs/dbraw/zinc/30/47/88/479304788.db2.gz GGENSMUXWUKKOG-RBSFLKMASA-N 0 0 335.375 2.929 40 0 EFABRN CO[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1Cc1ccc(C)cc1 ZINC000585275704 479304962 /nfs/dbraw/zinc/30/49/62/479304962.db2.gz DRJXOMBLCBNCCA-ROUUACIJSA-N 0 0 325.412 2.647 40 0 EFABRN O=C(CCc1ccccc1F)N1CC[C@](O)(COc2ccccc2)C1 ZINC000585274019 479305337 /nfs/dbraw/zinc/30/53/37/479305337.db2.gz YLECWPBESDEYJD-HXUWFJFHSA-N 0 0 343.398 2.801 40 0 EFABRN CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)Cc2ccncc2)C1 ZINC000585276287 479305593 /nfs/dbraw/zinc/30/55/93/479305593.db2.gz HTYYRWJDQLIRPD-HXUWFJFHSA-N 0 0 340.423 2.629 40 0 EFABRN CO[C@]1(COc2cccc(C)c2)CCCN(C(=O)c2conc2C)C1 ZINC000585276925 479306116 /nfs/dbraw/zinc/30/61/16/479306116.db2.gz KPKGCZFEORUGAZ-LJQANCHMSA-N 0 0 344.411 2.992 40 0 EFABRN CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)c2cc(C)no2)C1 ZINC000585277128 479306423 /nfs/dbraw/zinc/30/64/23/479306423.db2.gz LQQQXNSGCVMOBN-GOSISDBHSA-N 0 0 330.384 2.602 40 0 EFABRN CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)Cc2cc(C)no2)C1 ZINC000585278495 479307045 /nfs/dbraw/zinc/30/70/45/479307045.db2.gz SXJILGYDONLQBM-IBGZPJMESA-N 0 0 344.411 2.530 40 0 EFABRN CO[C@H]1CN(C(=O)Cc2ccncc2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279361 479307051 /nfs/dbraw/zinc/30/70/51/479307051.db2.gz KSVFJAJVXHNRCH-MJGOQNOKSA-N 0 0 342.414 2.869 40 0 EFABRN CO[C@@H]1CN(C(=O)c2ccc(C)nn2)CC[C@@H]1Cc1ccccc1C ZINC000585278249 479307236 /nfs/dbraw/zinc/30/72/36/479307236.db2.gz AICYDQARYOVYEZ-IEBWSBKVSA-N 0 0 339.439 2.813 40 0 EFABRN CNc1cccc(C(=O)N2CC[C@H](Cc3ccccc3)[C@H](OC)C2)n1 ZINC000585278933 479307647 /nfs/dbraw/zinc/30/76/47/479307647.db2.gz JHJXUSSNBGWOPX-SJLPKXTDSA-N 0 0 339.439 2.843 40 0 EFABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585279560 479307898 /nfs/dbraw/zinc/30/78/98/479307898.db2.gz 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ZINC000585279531 479308546 /nfs/dbraw/zinc/30/85/46/479308546.db2.gz ZKWGMHFCQXCERB-FQEVSTJZSA-N 0 0 340.423 2.745 40 0 EFABRN CO[C@@H]1CN(C(=O)c2ccnnc2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585279763 479308617 /nfs/dbraw/zinc/30/86/17/479308617.db2.gz OHEYQBFGLJLSPN-SJLPKXTDSA-N 0 0 325.412 2.505 40 0 EFABRN Cc1cc(C(=O)NC[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)no1 ZINC000585287279 479309402 /nfs/dbraw/zinc/30/94/02/479309402.db2.gz WRKXBKGYZDYREC-ZTFGCOKTSA-N 0 0 344.411 2.630 40 0 EFABRN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CC[C@]2(CCCO2)C(=O)C1 ZINC000585288517 479309645 /nfs/dbraw/zinc/30/96/45/479309645.db2.gz CUGAEKFDTXBAPM-GOSISDBHSA-N 0 0 330.359 2.580 40 0 EFABRN C=CC(=O)N1CCC[C@@H](Cc2cc(Nc3ncccc3C)ncn2)C1 ZINC000585291857 479310447 /nfs/dbraw/zinc/31/04/47/479310447.db2.gz ULKZROMPDVUJQR-HNNXBMFYSA-N 0 0 337.427 2.891 40 0 EFABRN C=CC(=O)N1CCC[C@H](Cc2cc(Nc3ncc(C)s3)ncn2)C1 ZINC000585292819 479310705 /nfs/dbraw/zinc/31/07/05/479310705.db2.gz SOGOHYUQPMGYMF-CYBMUJFWSA-N 0 0 343.456 2.952 40 0 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Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@@H]1COCCO1 ZINC000078666529 217098446 /nfs/dbraw/zinc/09/84/46/217098446.db2.gz YKWALGXGULUWCO-ZDUSSCGKSA-N 0 0 331.372 2.522 40 0 EFABRN C[C@@H]1CC(Nc2ccc(NC3=CC(=O)O[C@@H](C)C3)cc2)=CC(=O)O1 ZINC000017140881 211956636 /nfs/dbraw/zinc/95/66/36/211956636.db2.gz KVWURTWAXZTMOL-TXEJJXNPSA-N 0 0 328.368 2.949 40 0 EFABRN Cc1ncsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000078771661 217117128 /nfs/dbraw/zinc/11/71/28/217117128.db2.gz DJXUPFAHKMZBSF-SNVBAGLBSA-N 0 0 325.434 2.533 40 0 EFABRN Cc1ncsc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000078771657 217117183 /nfs/dbraw/zinc/11/71/83/217117183.db2.gz DJXUPFAHKMZBSF-JTQLQIEISA-N 0 0 325.434 2.533 40 0 EFABRN CS(=O)(=O)c1ccc(-c2noc(COc3ccccc3F)n2)cc1 ZINC000078774946 217118636 /nfs/dbraw/zinc/11/86/36/217118636.db2.gz ACIBABQGEOSFGC-UHFFFAOYSA-N 0 0 348.355 2.858 40 0 EFABRN COc1ccc(-c2noc(CCn3cnc4ccccc4c3=O)n2)cc1 ZINC000078774148 217118941 /nfs/dbraw/zinc/11/89/41/217118941.db2.gz LFDKDNRKCLXXFV-UHFFFAOYSA-N 0 0 348.362 2.698 40 0 EFABRN Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCN(C)c1ccccc1 ZINC000078776473 217118944 /nfs/dbraw/zinc/11/89/44/217118944.db2.gz XNPCVRFKIIRFEZ-UHFFFAOYSA-N 0 0 346.452 2.864 40 0 EFABRN Cc1cnn(CCC(=O)N2[C@@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC000078879688 217137569 /nfs/dbraw/zinc/13/75/69/217137569.db2.gz AIOBFZUOKBTXHZ-TXPKVOOTSA-N 0 0 327.428 2.959 40 0 EFABRN O=C(CN(C(=O)c1cscn1)c1ccccc1)N1CCCCC1 ZINC000078879589 217137606 /nfs/dbraw/zinc/13/76/06/217137606.db2.gz MKHAFSLBSBDKPB-UHFFFAOYSA-N 0 0 329.425 2.802 40 0 EFABRN CC(C)n1cnnc1CCNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000078912227 217146104 /nfs/dbraw/zinc/14/61/04/217146104.db2.gz ZIPREEAQAQKYQK-GJZGRUSLSA-N 0 0 332.835 2.975 40 0 EFABRN CC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)C[C@@H](C)O1 ZINC000078924805 217148565 /nfs/dbraw/zinc/14/85/65/217148565.db2.gz XQHYBTBIZJVBFI-IIYDPXPESA-N 0 0 333.432 2.915 40 0 EFABRN CCn1nc(C)c(CNC(=O)[C@H](C)N2CCc3ccccc3C2)c1C ZINC000078928928 217150669 /nfs/dbraw/zinc/15/06/69/217150669.db2.gz RRHAOIJEQMECEW-INIZCTEOSA-N 0 0 340.471 2.583 40 0 EFABRN Cc1n[nH]c(=O)c(C(=O)N[C@@H](C)CCc2ccc(F)c(F)c2)c1C ZINC000078988295 217166650 /nfs/dbraw/zinc/16/66/50/217166650.db2.gz QEYWEMXBKJNWPU-VIFPVBQESA-N 0 0 335.354 2.828 40 0 EFABRN Cn1cc(-c2ncc(C(=O)OCCCc3cccnc3)s2)cn1 ZINC000078989331 217167617 /nfs/dbraw/zinc/16/76/17/217167617.db2.gz BDXWLQZUSUDNRZ-UHFFFAOYSA-N 0 0 328.397 2.728 40 0 EFABRN Cn1cc(-c2ncc(C(=O)NCCCOc3ccccc3)s2)cn1 ZINC000078989563 217167887 /nfs/dbraw/zinc/16/78/87/217167887.db2.gz NHLKZZSQDKGDSE-UHFFFAOYSA-N 0 0 342.424 2.743 40 0 EFABRN CCOC(=O)c1cnn(Cc2nc(-c3ccoc3)no2)c1C(F)F ZINC000078995674 217168485 /nfs/dbraw/zinc/16/84/85/217168485.db2.gz RYFMWUIWMGVKQM-UHFFFAOYSA-N 0 0 338.270 2.689 40 0 EFABRN Cc1nonc1NC(=O)[C@H](C)Oc1ccccc1Br ZINC000078996359 217168559 /nfs/dbraw/zinc/16/85/59/217168559.db2.gz VOUINCWYJKFLMQ-QMMMGPOBSA-N 0 0 326.150 2.547 40 0 EFABRN C[C@H](Oc1ccccc1Br)C(=O)N[C@@H]1CCCOC1 ZINC000078996472 217169187 /nfs/dbraw/zinc/16/91/87/217169187.db2.gz RBMKRSVQVKODLS-WDEREUQCSA-N 0 0 328.206 2.512 40 0 EFABRN C[C@H](Oc1ccccc1Br)C(=O)NCC[C@H]1CCCO1 ZINC000078998693 217169657 /nfs/dbraw/zinc/16/96/57/217169657.db2.gz CQWPJTUYAAWOBS-NWDGAFQWSA-N 0 0 342.233 2.902 40 0 EFABRN COc1c(C(=O)NCCCSc2ccc(F)cc2)c(C)nn1C ZINC000078998486 217169842 /nfs/dbraw/zinc/16/98/42/217169842.db2.gz FQCBKZVKZHENJK-UHFFFAOYSA-N 0 0 337.420 2.788 40 0 EFABRN CNc1snc(C)c1C(=O)OCc1cc(F)cc2c1OCOC2 ZINC000016553961 211913349 /nfs/dbraw/zinc/91/33/49/211913349.db2.gz KSJNKCVHDNAAQU-UHFFFAOYSA-N 0 0 338.360 2.856 40 0 EFABRN C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000079028775 217177849 /nfs/dbraw/zinc/17/78/49/217177849.db2.gz CCNNERYSHQSSHE-VIFPVBQESA-N 0 0 327.360 2.803 40 0 EFABRN CCc1cc(CNC(=O)Nc2cc(F)ccc2-n2cccn2)[nH]n1 ZINC000079028842 217177883 /nfs/dbraw/zinc/17/78/83/217177883.db2.gz OLYQPIASMKMPIM-UHFFFAOYSA-N 0 0 328.351 2.619 40 0 EFABRN COc1cccc(C[C@H](C)NC(=O)C(=O)Nc2ccc(F)cc2C)c1 ZINC000079036902 217178447 /nfs/dbraw/zinc/17/84/47/217178447.db2.gz KHIYAXXYJFNHEG-ZDUSSCGKSA-N 0 0 344.386 2.829 40 0 EFABRN Cc1ccc(NC(=O)[C@@H](C)S(C)(=O)=O)c(OCc2ccccc2)c1 ZINC000079039475 217179416 /nfs/dbraw/zinc/17/94/16/217179416.db2.gz CXULPCTUHKWLNK-CQSZACIVSA-N 0 0 347.436 2.946 40 0 EFABRN CC(C)n1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)n1 ZINC000079040209 217179597 /nfs/dbraw/zinc/17/95/97/217179597.db2.gz YUQAYFAKFNRUDM-ZDUSSCGKSA-N 0 0 327.384 2.599 40 0 EFABRN C[C@@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)S(C)(=O)=O ZINC000079039366 217179647 /nfs/dbraw/zinc/17/96/47/217179647.db2.gz VWAMUBYPNVZKGG-YJBOKZPZSA-N 0 0 345.464 2.910 40 0 EFABRN C[C@H]1CCCC[C@@H]1OCC(=O)NCc1nc(-c2cccs2)n[nH]1 ZINC000079049758 217181857 /nfs/dbraw/zinc/18/18/57/217181857.db2.gz XNTMEVLHUJJTFW-RYUDHWBXSA-N 0 0 334.445 2.745 40 0 EFABRN O=C(c1cccc2cn[nH]c21)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000079050423 217181866 /nfs/dbraw/zinc/18/18/66/217181866.db2.gz 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/nfs/dbraw/zinc/19/09/34/217190934.db2.gz VQZADFMGYVYYNW-JTQLQIEISA-N 0 0 328.319 2.721 40 0 EFABRN CC(C)CS(=O)(=O)CC(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000079095961 217191411 /nfs/dbraw/zinc/19/14/11/217191411.db2.gz CYIXDHFERVOWSZ-GOSISDBHSA-N 0 0 337.485 2.638 40 0 EFABRN C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)o1)c1cc(F)ccc1F ZINC000079099645 217192412 /nfs/dbraw/zinc/19/24/12/217192412.db2.gz PPLYQTGLHJYVJZ-MRVPVSSYSA-N 0 0 330.308 2.879 40 0 EFABRN CC(C)C(=O)Nc1cccc(OC(=O)[C@@H](C(C)C)N2CCCC2=O)c1 ZINC000079050823 217183270 /nfs/dbraw/zinc/18/32/70/217183270.db2.gz KHPSADYXACCIKQ-QGZVFWFLSA-N 0 0 346.427 2.834 40 0 EFABRN CN(C(=O)CCc1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079297806 217204005 /nfs/dbraw/zinc/20/40/05/217204005.db2.gz ZCXYAGWYZSTZQR-UHFFFAOYSA-N 0 0 347.459 2.872 40 0 EFABRN Cc1noc(OCc2nc(-c3ccc(Br)s3)no2)n1 ZINC000079309285 217205567 /nfs/dbraw/zinc/20/55/67/217205567.db2.gz SSKPPFALGMIOQU-UHFFFAOYSA-N 0 0 343.162 2.831 40 0 EFABRN Cc1cc(C)n(CCCNC(=O)c2ccc3c(c2)nc(C)n3C)n1 ZINC000079330734 217210332 /nfs/dbraw/zinc/21/03/32/217210332.db2.gz JZERXGUFXABUPB-UHFFFAOYSA-N 0 0 325.416 2.515 40 0 EFABRN O=C(N[C@@H]1CCCCc2ccccc21)c1cnc2n(c1=O)CCS2 ZINC000079335683 217210334 /nfs/dbraw/zinc/21/03/34/217210334.db2.gz NNVORVQDHVBGFX-OAHLLOKOSA-N 0 0 341.436 2.547 40 0 EFABRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000079335700 217210528 /nfs/dbraw/zinc/21/05/28/217210528.db2.gz NATWLAUVCYAFTP-NSHDSACASA-N 0 0 340.370 2.952 40 0 EFABRN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)COCc2ccccc2)C1 ZINC000079335734 217211005 /nfs/dbraw/zinc/21/10/05/217211005.db2.gz JLKSERWKFVMTFG-INIZCTEOSA-N 0 0 348.443 2.576 40 0 EFABRN Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000016083870 211880442 /nfs/dbraw/zinc/88/04/42/211880442.db2.gz FSNNDJUYZANPCT-UHFFFAOYSA-N 0 0 332.425 2.563 40 0 EFABRN COc1cccc(CC(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000079335722 217211435 /nfs/dbraw/zinc/21/14/35/217211435.db2.gz WOGQUADWJBJLDR-OAHLLOKOSA-N 0 0 348.443 2.611 40 0 EFABRN CN(Cc1cccc(O)c1)C(=O)C(=O)c1ccc(Br)cc1 ZINC000079349706 217212348 /nfs/dbraw/zinc/21/23/48/217212348.db2.gz UBGCBTHQAMWJGQ-UHFFFAOYSA-N 0 0 348.196 2.996 40 0 EFABRN O=C(NCCCn1ccnc1)C1(c2ccccc2Cl)CCOCC1 ZINC000079351745 217212618 /nfs/dbraw/zinc/21/26/18/217212618.db2.gz MSZJPFFJJKFFLA-UHFFFAOYSA-N 0 0 347.846 2.791 40 0 EFABRN Cc1nc([C@H](NC(=O)c2cccc(C)n2)c2ccccc2F)no1 ZINC000079350956 217212665 /nfs/dbraw/zinc/21/26/65/217212665.db2.gz FSGDROSHWRVAIM-OAHLLOKOSA-N 0 0 326.331 2.740 40 0 EFABRN Cc1nc(COc2ccc(O[C@@H]3CCCCNC3=O)cc2)oc1C ZINC000079354008 217213026 /nfs/dbraw/zinc/21/30/26/217213026.db2.gz HKJXEMYTMRPLSH-MRXNPFEDSA-N 0 0 330.384 2.918 40 0 EFABRN O=S(=O)(c1c[nH]c2ncccc12)N1CC[C@H](c2cccc(F)c2)C1 ZINC000079354768 217213132 /nfs/dbraw/zinc/21/31/32/217213132.db2.gz MICGFBQLQYOGBI-ZDUSSCGKSA-N 0 0 345.399 2.880 40 0 EFABRN C[C@H](c1cccnc1)N1CCN(C(=O)COc2ccccc2F)CC1 ZINC000079353402 217213137 /nfs/dbraw/zinc/21/31/37/217213137.db2.gz CRVAKLPZGLWBMN-OAHLLOKOSA-N 0 0 343.402 2.505 40 0 EFABRN CCOCc1ccccc1NC(=O)NCCCCn1ccccc1=O ZINC000079355632 217213185 /nfs/dbraw/zinc/21/31/85/217213185.db2.gz CELHEZGXHBXAMD-UHFFFAOYSA-N 0 0 343.427 2.987 40 0 EFABRN C[C@H](c1cccnc1)N1CCN(C(=O)N[C@@H](C)c2nccs2)CC1 ZINC000079355157 217213636 /nfs/dbraw/zinc/21/36/36/217213636.db2.gz OANBVZSPDRYNGJ-UONOGXRCSA-N 0 0 345.472 2.688 40 0 EFABRN COCC[S@@](=O)Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C)c1 ZINC000110599349 220046607 /nfs/dbraw/zinc/04/66/07/220046607.db2.gz PEJRJVYEUKAYMP-BSGVFPLJSA-N 0 0 338.473 2.892 40 0 EFABRN O=S(=O)(c1c[nH]c2ncccc12)N(Cc1ccsc1)C1CC1 ZINC000079354732 217214255 /nfs/dbraw/zinc/21/42/55/217214255.db2.gz XGKBALWBLSRMJL-UHFFFAOYSA-N 0 0 333.438 2.978 40 0 EFABRN C[C@H](NC(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1nccs1 ZINC000079355154 217214381 /nfs/dbraw/zinc/21/43/81/217214381.db2.gz OANBVZSPDRYNGJ-KBPBESRZSA-N 0 0 345.472 2.688 40 0 EFABRN CCn1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)cn1 ZINC000079359391 217214697 /nfs/dbraw/zinc/21/46/97/217214697.db2.gz 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CCOc1cc([C@@H](O)[C@H](O)c2ccc(O)c(OCC)c2)ccc1O ZINC000001747338 471397970 /nfs/dbraw/zinc/39/79/70/471397970.db2.gz WBGIKQHDGCVGMC-QZTJIDSGSA-N 0 0 334.368 2.662 40 0 EFABRN CCC[C@H](CC[n+]1c(C)sc2ccc(OC)cc21)S(=O)(=O)[O-] ZINC000001881706 471399238 /nfs/dbraw/zinc/39/92/38/471399238.db2.gz XVWVMHSYLOKALD-CYBMUJFWSA-O 0 0 344.478 2.952 40 0 EFABRN CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2OC)n1 ZINC000001924682 471399450 /nfs/dbraw/zinc/39/94/50/471399450.db2.gz UYKFRTURSVOKHL-CMDGGOBGSA-N 0 0 346.408 2.909 40 0 EFABRN Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000002623486 471412679 /nfs/dbraw/zinc/41/26/79/471412679.db2.gz VZSFWPMJOOHIMX-KRWDZBQOSA-N 0 0 332.469 2.885 40 0 EFABRN O=C(c1cccs1)N1CCC[C@@H]1C(=O)N1CCc2ccccc21 ZINC000002630700 471413961 /nfs/dbraw/zinc/41/39/61/471413961.db2.gz ANIBQKCNUYOYIE-OAHLLOKOSA-N 0 0 326.421 2.942 40 0 EFABRN COc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1Cl ZINC000002653907 471414781 /nfs/dbraw/zinc/41/47/81/471414781.db2.gz VZPNFJDDRWYULT-UHFFFAOYSA-N 0 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2.889 40 0 EFABRN c1ccc([C@H]2O[C@H]3O[C@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H]3O2)cc1 ZINC000005667097 471515932 /nfs/dbraw/zinc/51/59/32/471515932.db2.gz IHXGBIRUYZZCIT-KCTOORRSSA-N 0 0 326.348 2.940 40 0 EFABRN COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 ZINC000005696573 471517053 /nfs/dbraw/zinc/51/70/53/471517053.db2.gz WMQUFNJCVUNGSS-GFCCVEGCSA-N 0 0 329.352 2.888 40 0 EFABRN CC(=O)c1nn(-c2cccc(O)c2)/c(=N/C(=O)c2ccccc2)s1 ZINC000005726499 471518671 /nfs/dbraw/zinc/51/86/71/471518671.db2.gz KEZXEECKHPREIT-ZCXUNETKSA-N 0 0 339.376 2.583 40 0 EFABRN CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1 ZINC000005782695 471519993 /nfs/dbraw/zinc/51/99/93/471519993.db2.gz XUYQGMPGGLOTCL-GFCCVEGCSA-N 0 0 343.374 2.586 40 0 EFABRN CC1=C(C(=O)N(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1 ZINC000005782693 471520019 /nfs/dbraw/zinc/52/00/19/471520019.db2.gz XUYQGMPGGLOTCL-LBPRGKRZSA-N 0 0 343.374 2.586 40 0 EFABRN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](O)[C@H]2C)OCO4)c(OC)c1 ZINC000005765745 471520021 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CO[C@H](C)c1cccc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 ZINC000096434548 473413715 /nfs/dbraw/zinc/41/37/15/473413715.db2.gz RNSGXNYVVGVPSP-CQSZACIVSA-N 0 0 344.415 2.732 40 0 EFABRN C[C@H](CCc1cccn1C)NC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000096434874 473413798 /nfs/dbraw/zinc/41/37/98/473413798.db2.gz AHQCUCIOMPDQQB-ZLOXQWCVSA-N 0 0 333.457 2.905 40 0 EFABRN Cc1ccnc(-c2ccc(NC(=O)N[C@H](CCO)C(C)C)cc2)n1 ZINC000096434931 473413837 /nfs/dbraw/zinc/41/38/37/473413837.db2.gz GVTJPXBTZLLPCU-MRXNPFEDSA-N 0 0 328.416 2.981 40 0 EFABRN CC(C)c1cnc(-c2ccc(NC(=O)N[C@H]3CCN(C)C3=O)cc2)o1 ZINC000096434958 473413906 /nfs/dbraw/zinc/41/39/06/473413906.db2.gz OZFJFJFDBFABAE-AWEZNQCLSA-N 0 0 342.399 2.817 40 0 EFABRN O=C(NCc1ccsc1)Nc1ccn(CCc2ccncc2)n1 ZINC000096435227 473413917 /nfs/dbraw/zinc/41/39/17/473413917.db2.gz RKNGWNMLZBLBEU-UHFFFAOYSA-N 0 0 327.413 2.904 40 0 EFABRN O=C(Nc1cc(Br)ccc1F)N[C@H]1CCC[C@@H]1CO ZINC000096434839 473414000 /nfs/dbraw/zinc/41/40/00/473414000.db2.gz NUIBOVOYFRZTJA-KCJUWKMLSA-N 0 0 331.185 2.871 40 0 EFABRN Cc1noc(C)c1[C@H](C)NC(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000096435060 473414005 /nfs/dbraw/zinc/41/40/05/473414005.db2.gz IEYDLSSEDRKCCQ-NSHDSACASA-N 0 0 340.387 2.814 40 0 EFABRN CSc1c(Cl)cccc1NC(=O)N[C@@H](C)Cn1cncn1 ZINC000096435388 473415443 /nfs/dbraw/zinc/41/54/43/473415443.db2.gz JZYVPNPBJCSBRA-VIFPVBQESA-N 0 0 325.825 2.864 40 0 EFABRN C[S@](=O)c1cccc(NC(=O)N2CCC(OCC3CC3)CC2)c1 ZINC000096434870 473414127 /nfs/dbraw/zinc/41/41/27/473414127.db2.gz WZUDMYHWZDQDCH-HSZRJFAPSA-N 0 0 336.457 2.847 40 0 EFABRN CC(C)Cn1ccnc1CNC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000096434878 473414345 /nfs/dbraw/zinc/41/43/45/473414345.db2.gz UYZSQDSNMAGUAN-QHCPKHFHSA-N 0 0 334.445 2.598 40 0 EFABRN COc1ccc(NC(=O)N[C@H]2CCC[C@@H]2CO)cc1Br ZINC000096434916 473414388 /nfs/dbraw/zinc/41/43/88/473414388.db2.gz DAUMDRHOQZMMRF-SKDRFNHKSA-N 0 0 343.221 2.740 40 0 EFABRN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccccc2F)cn1 ZINC000096435683 473414942 /nfs/dbraw/zinc/41/49/42/473414942.db2.gz KJRPQRDEXSGUSO-UHFFFAOYSA-N 0 0 347.371 2.821 40 0 EFABRN O=C(NCCNc1ccccn1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096435997 473415314 /nfs/dbraw/zinc/41/53/14/473415314.db2.gz DYQSPYQLFHNYHR-UHFFFAOYSA-N 0 0 349.394 2.851 40 0 EFABRN CCCc1nc(CSc2nnc([C@@H]3CCCCO3)n2N)cs1 ZINC000096436701 473416272 /nfs/dbraw/zinc/41/62/72/473416272.db2.gz VCWXNIVYFCQUCA-NSHDSACASA-N 0 0 339.490 2.935 40 0 EFABRN Nn1c(SCc2ccnc(Cl)c2)nnc1[C@@H]1CCCCO1 ZINC000096436695 473416501 /nfs/dbraw/zinc/41/65/01/473416501.db2.gz PNMYQERWGIRUJS-JTQLQIEISA-N 0 0 325.825 2.574 40 0 EFABRN O=C(Cn1ccc2ccccc21)NCCn1c(=S)[nH]nc1C1CC1 ZINC000096437028 473416634 /nfs/dbraw/zinc/41/66/34/473416634.db2.gz MCXOBKJHFJVATJ-UHFFFAOYSA-N 0 0 341.440 2.589 40 0 EFABRN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000096437098 473416749 /nfs/dbraw/zinc/41/67/49/473416749.db2.gz IHBXWDXBWKOPEU-GJZGRUSLSA-N 0 0 331.460 2.802 40 0 EFABRN CC(C)Cc1nnc([C@@H](C)Nc2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000096437035 473416848 /nfs/dbraw/zinc/41/68/48/473416848.db2.gz NRDDDOUGMSFSRQ-LLVKDONJSA-N 0 0 329.404 2.632 40 0 EFABRN Cc1nc(-c2cccc(C(=O)NC[C@@H](O)c3ccccc3C)c2)no1 ZINC000096436519 473417124 /nfs/dbraw/zinc/41/71/24/473417124.db2.gz ROOYCSIGAFTIRH-QGZVFWFLSA-N 0 0 337.379 2.817 40 0 EFABRN Cc1ccc(-c2cnc(CNC(=O)NCCCn3cccn3)o2)cc1 ZINC000096439190 473417578 /nfs/dbraw/zinc/41/75/78/473417578.db2.gz DEQXPLMUMCCPCN-UHFFFAOYSA-N 0 0 339.399 2.736 40 0 EFABRN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCc3c2cnn3C)C12CCCC2 ZINC000096439283 473417614 /nfs/dbraw/zinc/41/76/14/473417614.db2.gz YTMCLBDFTYNLMG-DJIMGWMZSA-N 0 0 346.475 2.835 40 0 EFABRN Cc1cc(CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)no1 ZINC000096439473 473417940 /nfs/dbraw/zinc/41/79/40/473417940.db2.gz JFYIEDVPTSWUQN-MRXNPFEDSA-N 0 0 329.400 2.731 40 0 EFABRN CCO[C@@H]1C[C@H](NC(=O)NCC[S@@](=O)C(C)(C)C)C12CCCC2 ZINC000096440378 473418377 /nfs/dbraw/zinc/41/83/77/473418377.db2.gz UZICEKNYSBJWSA-UDFDBXRZSA-N 0 0 344.521 2.571 40 0 EFABRN Cc1ccc([C@@](C)(O)CNC(=O)N[C@H](c2ccccn2)C(C)C)o1 ZINC000096440639 473418680 /nfs/dbraw/zinc/41/86/80/473418680.db2.gz PWGWQZUQSIQXJU-WMZOPIPTSA-N 0 0 331.416 2.887 40 0 EFABRN Cc1ccc(C[C@@H](C)NC(=O)N2CCN(Cc3ccon3)CC2)s1 ZINC000096440660 473418792 /nfs/dbraw/zinc/41/87/92/473418792.db2.gz NBKJISCGALTQII-CYBMUJFWSA-N 0 0 348.472 2.503 40 0 EFABRN Cc1cc([C@@](C)(O)CNC(=O)NCc2csc(C3CC3)n2)c(C)o1 ZINC000096440148 473418797 /nfs/dbraw/zinc/41/87/97/473418797.db2.gz BLKRNIBGQBYLQL-KRWDZBQOSA-N 0 0 349.456 2.937 40 0 EFABRN Cc1cccc2nc(CNC(=O)N[C@H](C)CCc3cccn3C)cn21 ZINC000096440606 473418913 /nfs/dbraw/zinc/41/89/13/473418913.db2.gz ZTTVEJKOTZOPHM-CQSZACIVSA-N 0 0 339.443 2.802 40 0 EFABRN Cc1cccc([C@H]2CCCN2C(=O)N[C@H]2CCC(=O)N(C)C2)c1C ZINC000096440679 473419260 /nfs/dbraw/zinc/41/92/60/473419260.db2.gz WQWOUNGTHZLZDD-DOTOQJQBSA-N 0 0 329.444 2.771 40 0 EFABRN C/C(=C\C(=O)N1CCCS1(=O)=O)c1ccccc1C(F)(F)F ZINC000096441814 473419862 /nfs/dbraw/zinc/41/98/62/473419862.db2.gz KOTSJQJXCNGUMU-MDZDMXLPSA-N 0 0 333.331 2.671 40 0 EFABRN Cc1cnc(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)o1 ZINC000096441365 473420360 /nfs/dbraw/zinc/42/03/60/473420360.db2.gz QJUKAEKQCIIHJO-UHFFFAOYSA-N 0 0 342.395 2.849 40 0 EFABRN C/C(=C\C(=O)O[C@H]1CCS(=O)(=O)C1)c1ccccc1C(F)(F)F ZINC000096441885 473420558 /nfs/dbraw/zinc/42/05/58/473420558.db2.gz CFVWQOVDNMRFAB-UQSGXBNBSA-N 0 0 348.342 2.839 40 0 EFABRN Cc1noc(C)c1C(=O)Nc1ccccc1Sc1nncn1C ZINC000096443092 473421386 /nfs/dbraw/zinc/42/13/86/473421386.db2.gz BTXUBUBJHWOSKX-UHFFFAOYSA-N 0 0 329.385 2.823 40 0 EFABRN C[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccccc2)CO1 ZINC000096443596 473421502 /nfs/dbraw/zinc/42/15/02/473421502.db2.gz WMGZWSJMMNZATI-KSSFIOAISA-N 0 0 335.407 2.885 40 0 EFABRN COc1cc(NC(=O)CCc2cnn(C)c2)ccc1Br ZINC000096445113 473422283 /nfs/dbraw/zinc/42/22/83/473422283.db2.gz NBPIXYZHQGZXGN-UHFFFAOYSA-N 0 0 338.205 2.763 40 0 EFABRN CC(C)c1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)n(C)n1 ZINC000096445242 473422415 /nfs/dbraw/zinc/42/24/15/473422415.db2.gz IAPKOBBMNKKWMA-UHFFFAOYSA-N 0 0 337.427 2.718 40 0 EFABRN CN(Cc1nnc(-c2ccccc2)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444966 473422709 /nfs/dbraw/zinc/42/27/09/473422709.db2.gz YIMFMUBAMHDAMQ-GJZGRUSLSA-N 0 0 349.456 2.524 40 0 EFABRN COc1ccncc1NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000096446528 473423620 /nfs/dbraw/zinc/42/36/20/473423620.db2.gz OLSGDRIPHZIRTK-INIZCTEOSA-N 0 0 329.375 2.832 40 0 EFABRN CCOc1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000113936016 473423599 /nfs/dbraw/zinc/42/35/99/473423599.db2.gz ZATJPVRJZIZBCA-UHFFFAOYSA-N 0 0 348.424 2.733 40 0 EFABRN Cc1nc(C(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)no1 ZINC000190903188 473424003 /nfs/dbraw/zinc/42/40/03/473424003.db2.gz CTJTUSPHCRLUKM-UHFFFAOYSA-N 0 0 329.278 2.548 40 0 EFABRN Cn1cc(C[C@@H]2CCN(Cc3nnc(-c4cccs4)o3)C2)cn1 ZINC000096447071 473424832 /nfs/dbraw/zinc/42/48/32/473424832.db2.gz LEBAMTLWBZBXMU-LBPRGKRZSA-N 0 0 329.429 2.596 40 0 EFABRN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CCS(C)(=O)=O ZINC000096446757 473424936 /nfs/dbraw/zinc/42/49/36/473424936.db2.gz FFJFCTPTTGWUEA-NEPJUHHUSA-N 0 0 331.865 2.725 40 0 EFABRN O=C(NCc1ccc(Cl)cc1Cl)NC[C@@]1(O)CCSC1 ZINC000096447287 473424951 /nfs/dbraw/zinc/42/49/51/473424951.db2.gz JUSQUHMCDGZLDN-ZDUSSCGKSA-N 0 0 335.256 2.661 40 0 EFABRN O=C(NCC1CCC2(CC1)OCCO2)c1ccc(-n2ccnc2)cc1 ZINC000096446866 473425068 /nfs/dbraw/zinc/42/50/68/473425068.db2.gz CHUUGVHGJLQLGD-UHFFFAOYSA-N 0 0 341.411 2.535 40 0 EFABRN CC(C)N(C)C(=O)[C@H](C)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000096446913 473425157 /nfs/dbraw/zinc/42/51/57/473425157.db2.gz HTPQVHMBMZKMOF-JTQLQIEISA-N 0 0 337.363 2.734 40 0 EFABRN Cc1nc(CN2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000096447099 473425174 /nfs/dbraw/zinc/42/51/74/473425174.db2.gz GXRXMQOYKPAJPL-CYBMUJFWSA-N 0 0 327.306 2.970 40 0 EFABRN Cc1cc(C)n(Cc2cccc(NC(=O)NCc3ccon3)c2)n1 ZINC000096447166 473425284 /nfs/dbraw/zinc/42/52/84/473425284.db2.gz ZTYGVDMTXZDRHN-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/42/63/10/473426310.db2.gz VATQURDGZKDSPH-NRFANRHFSA-N 0 0 346.518 2.731 40 0 EFABRN CN(Cc1ccccc1F)C(=O)Cn1cc(NC(=O)C(C)(C)C)cn1 ZINC000096447961 473426671 /nfs/dbraw/zinc/42/66/71/473426671.db2.gz OOBOHVDPRRLMIS-UHFFFAOYSA-N 0 0 346.406 2.665 40 0 EFABRN Cc1ccc2[nH]c(S[C@H]3CCN(C4CCOCC4)C3=O)nc2c1 ZINC000096447671 473426772 /nfs/dbraw/zinc/42/67/72/473426772.db2.gz FPWHLXOELFHRSG-HNNXBMFYSA-N 0 0 331.441 2.743 40 0 EFABRN CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000096448433 473426827 /nfs/dbraw/zinc/42/68/27/473426827.db2.gz KTRYYFCUVPORSI-LBPRGKRZSA-N 0 0 325.412 2.784 40 0 EFABRN O=C(Nc1ncccc1Br)c1cc(-n2cccn2)ccn1 ZINC000096449809 473427149 /nfs/dbraw/zinc/42/71/49/473427149.db2.gz VHPHVKUMBAVVMT-UHFFFAOYSA-N 0 0 344.172 2.677 40 0 EFABRN CCc1cc(N2CCC(NC(=O)/C=C/c3ccccc3)CC2)ncn1 ZINC000096450793 473428056 /nfs/dbraw/zinc/42/80/56/473428056.db2.gz VAFRANJQUDLMSZ-CMDGGOBGSA-N 0 0 336.439 2.837 40 0 EFABRN C[C@@H](Nc1cccc(C(F)(F)F)n1)c1cccc(S(N)(=O)=O)c1 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RUAMWPZSMJLQGJ-UHFFFAOYSA-N 0 0 328.372 2.651 40 0 EFABRN O=C(O[C@H]1OCCO[C@@H]1OC(=O)C1CCCCC1)C1CCCCC1 ZINC000000313279 209530619 /nfs/dbraw/zinc/53/06/19/209530619.db2.gz DBTAJZRTQFNCNW-QZTJIDSGSA-N 0 0 340.416 2.932 40 0 EFABRN CS(=O)(=O)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000000324851 209537221 /nfs/dbraw/zinc/53/72/21/209537221.db2.gz CQFVHWPGHVXCGY-NSHDSACASA-N 0 0 341.820 2.529 40 0 EFABRN COc1ccc(CCC(=O)NCCOc2ccccc2)cc1OC ZINC000029224458 212658079 /nfs/dbraw/zinc/65/80/79/212658079.db2.gz KLUORWRSOQCUND-UHFFFAOYSA-N 0 0 329.396 2.832 40 0 EFABRN COc1ccc(CNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000072331530 216155247 /nfs/dbraw/zinc/15/52/47/216155247.db2.gz KCHBIFPWNQYTGZ-UHFFFAOYSA-N 0 0 331.368 2.651 40 0 EFABRN Cn1ccnc1CN1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000072322086 216150171 /nfs/dbraw/zinc/15/01/71/216150171.db2.gz OSEBIACFWVBCSH-INIZCTEOSA-N 0 0 341.390 2.523 40 0 biogenic,in-vitro EFABRN Cc1cc(-c2cnc(N3CCOCC3)nc2-c2cccnc2C)on1 ZINC000072336762 216158124 /nfs/dbraw/zinc/15/81/24/216158124.db2.gz RNHBXCIVPHQWNN-UHFFFAOYSA-N 0 0 337.383 2.647 40 0 EFABRN OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 ZINC000072340279 216158419 /nfs/dbraw/zinc/15/84/19/216158419.db2.gz PMSQLRIGDQZIAT-UHFFFAOYSA-N 0 0 339.424 2.623 40 0 EFABRN O=c1n(Cc2ccccn2)nc(-c2cccs2)n1-c1cccnc1 ZINC000072346612 216159908 /nfs/dbraw/zinc/15/99/08/216159908.db2.gz LARCEYPGESENIG-UHFFFAOYSA-N 0 0 335.392 2.601 40 0 EFABRN CS(=O)(=O)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072348971 216160782 /nfs/dbraw/zinc/16/07/82/216160782.db2.gz XAZPMCZAPGJVOL-HNNXBMFYSA-N 0 0 348.443 2.951 40 0 EFABRN c1ccc(Nc2cncc([C@H]3CCCN(c4ncccn4)C3)n2)nc1 ZINC000072354349 216162655 /nfs/dbraw/zinc/16/26/55/216162655.db2.gz FVTOLNSNIOERPD-AWEZNQCLSA-N 0 0 333.399 2.789 40 0 EFABRN CC(C)c1nccn1-c1cncc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355580 216163629 /nfs/dbraw/zinc/16/36/29/216163629.db2.gz XVHPHCXQLBJQSL-OAHLLOKOSA-N 0 0 349.442 2.960 40 0 EFABRN COc1cccc(-c2cnc(N)nc2[C@H]2CCCN2c2cnccn2)c1 ZINC000072354675 216164003 /nfs/dbraw/zinc/16/40/03/216164003.db2.gz HKJRESFSVMPONN-MRXNPFEDSA-N 0 0 348.410 2.866 40 0 EFABRN COCCN1CCC[C@@H]1c1cc(C(F)(F)F)c(CNC(C)=O)cn1 ZINC000072355996 216164070 /nfs/dbraw/zinc/16/40/70/216164070.db2.gz DUKSZQFUQQAECW-OAHLLOKOSA-N 0 0 345.365 2.520 40 0 EFABRN CC(=O)Nc1cc(CC[C@@H]2CCCN(c3cnccn3)C2)ccn1 ZINC000072355250 216164078 /nfs/dbraw/zinc/16/40/78/216164078.db2.gz HFTMWZPOROPQJP-INIZCTEOSA-N 0 0 325.416 2.679 40 0 EFABRN CC(C)CC(=O)N1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361959 216168858 /nfs/dbraw/zinc/16/88/58/216168858.db2.gz KCHNVABFQURFOX-AWEZNQCLSA-N 0 0 340.431 2.762 40 0 EFABRN COCC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(C)c3)n2)C1 ZINC000072362318 216169128 /nfs/dbraw/zinc/16/91/28/216169128.db2.gz LKPBMCVSBPUKSZ-OAHLLOKOSA-N 0 0 341.411 2.930 40 0 EFABRN CC(C)CC(=O)N1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000072361952 216169300 /nfs/dbraw/zinc/16/93/00/216169300.db2.gz ZUDSYPIRWDASBZ-CQSZACIVSA-N 0 0 340.431 2.762 40 0 EFABRN c1ccc(Nc2nccnc2[C@H]2CCCN(c3ncccn3)C2)nc1 ZINC000072363622 216170221 /nfs/dbraw/zinc/17/02/21/216170221.db2.gz YARBIZRHXSJGHC-AWEZNQCLSA-N 0 0 333.399 2.789 40 0 EFABRN c1ccc(Nc2ccc(C[C@@H]3CCCN(c4cnccn4)C3)nn2)nc1 ZINC000072363531 216170242 /nfs/dbraw/zinc/17/02/42/216170242.db2.gz ILXKDCUAXYHPBE-HNNXBMFYSA-N 0 0 347.426 2.864 40 0 EFABRN c1ccc(Nc2cnc([C@@H]3CCCN(c4ncccn4)C3)cn2)nc1 ZINC000072362477 216170337 /nfs/dbraw/zinc/17/03/37/216170337.db2.gz IRGAAXMQSXOLTN-CQSZACIVSA-N 0 0 333.399 2.789 40 0 EFABRN COc1ccc(-c2nccnc2C[C@H]2CCCN(C(C)=O)C2)cc1 ZINC000072365821 216171546 /nfs/dbraw/zinc/17/15/46/216171546.db2.gz WJUJSXFFMLTYHF-OAHLLOKOSA-N 0 0 325.412 2.953 40 0 EFABRN CNc1ncc(CN2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072366769 216171915 /nfs/dbraw/zinc/17/19/15/216171915.db2.gz GTRNURNYRWKFLD-QGZVFWFLSA-N 0 0 349.442 2.745 40 0 EFABRN CS(=O)(=O)c1c[nH]nc1[C@@H]1CCCN1Cc1ccc2[nH]ccc2c1 ZINC000072366184 216172150 /nfs/dbraw/zinc/17/21/50/216172150.db2.gz RGWMUWUQJFJZMR-HNNXBMFYSA-N 0 0 344.440 2.632 40 0 EFABRN Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 ZINC000072360344 216167844 /nfs/dbraw/zinc/16/78/44/216167844.db2.gz VGWPBDTURWUSAR-QGZVFWFLSA-N 0 0 349.442 2.994 40 0 EFABRN CC(C)CC(=O)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 ZINC000072361962 216168332 /nfs/dbraw/zinc/16/83/32/216168332.db2.gz BLSVCYJGQUPITA-CQSZACIVSA-N 0 0 340.431 2.762 40 0 EFABRN Cc1nc(Nc2cnccn2)cc([C@@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000072361945 216168583 /nfs/dbraw/zinc/16/85/83/216168583.db2.gz MZEBPAJKSGFYGJ-CQSZACIVSA-N 0 0 340.431 2.681 40 0 EFABRN COCC(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000072362282 216168618 /nfs/dbraw/zinc/16/86/18/216168618.db2.gz CDAPJLJFTPOBSP-UHFFFAOYSA-N 0 0 345.374 2.760 40 0 EFABRN COCC(=O)N1CCC(c2nccnc2Oc2ccc(C)cc2)CC1 ZINC000072362305 216168694 /nfs/dbraw/zinc/16/86/94/216168694.db2.gz CNKLIXIGUCNRQL-UHFFFAOYSA-N 0 0 341.411 2.930 40 0 EFABRN Nc1nc2nc([C@@H]3CCCN(C(=O)c4cncs4)C3)ccc2s1 ZINC000072368445 216174738 /nfs/dbraw/zinc/17/47/38/216174738.db2.gz XUQNXOWGLMMCNC-SECBINFHSA-N 0 0 345.453 2.750 40 0 EFABRN O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]Cc1ccccc1 ZINC000000195722 209477418 /nfs/dbraw/zinc/47/74/18/209477418.db2.gz BKMSFKHMILVYJG-OAHLLOKOSA-N 0 0 332.787 2.912 40 0 EFABRN O=C([O-])[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCc1ccccc1 ZINC000000195807 209476637 /nfs/dbraw/zinc/47/66/37/209476637.db2.gz SELRPUVHRUDBSB-INIZCTEOSA-N 0 0 346.814 2.954 40 0 EFABRN CCn1c(SC)nnc1C1CCN(c2nc(C)cc(C)n2)CC1 ZINC000072369212 216175856 /nfs/dbraw/zinc/17/58/56/216175856.db2.gz JCWGEPDVMORISE-UHFFFAOYSA-N 0 0 332.477 2.811 40 0 EFABRN Cc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(CCC(=O)[O-])n3)C2)cn1 ZINC000072367146 216173695 /nfs/dbraw/zinc/17/36/95/216173695.db2.gz RYCCEGXNZLVBNW-MRXNPFEDSA-N 0 0 340.427 2.577 40 0 EFABRN CC(=O)N1CCC[C@H](c2cccc(Nc3nc(C)cc(C)n3)n2)C1 ZINC000072375932 216178626 /nfs/dbraw/zinc/17/86/26/216178626.db2.gz IACNNHGWUUMOGN-HNNXBMFYSA-N 0 0 325.416 2.958 40 0 EFABRN CC(C)(O)C(=O)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 ZINC000072375458 216178697 /nfs/dbraw/zinc/17/86/97/216178697.db2.gz XJNZVQVWUXFMQT-AWEZNQCLSA-N 0 0 344.390 2.794 40 0 EFABRN c1cnc(N2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)nc1 ZINC000072377964 216178850 /nfs/dbraw/zinc/17/88/50/216178850.db2.gz IDOVRWQHFQBLOZ-CQSZACIVSA-N 0 0 334.387 2.532 40 0 EFABRN O=C(c1cccnc1)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072377756 216179240 /nfs/dbraw/zinc/17/92/40/216179240.db2.gz QUSNYYZRFMUGQI-INIZCTEOSA-N 0 0 346.394 2.988 40 0 EFABRN COCC(=O)N1CCC[C@@H]1c1cccc(Nc2ncc(C)s2)n1 ZINC000072375230 216179618 /nfs/dbraw/zinc/17/96/18/216179618.db2.gz FCIXPLISKMSRBO-CYBMUJFWSA-N 0 0 332.429 2.900 40 0 EFABRN CCc1nnc(Nc2cccc(C3CCN(C(C)=O)CC3)n2)s1 ZINC000072376127 216179740 /nfs/dbraw/zinc/17/97/40/216179740.db2.gz ZXIDBPXDKYRZBJ-UHFFFAOYSA-N 0 0 331.445 2.965 40 0 EFABRN O=C(C1CCCC1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377958 216179774 /nfs/dbraw/zinc/17/97/74/216179774.db2.gz AYMWZNYOALRVFF-HNNXBMFYSA-N 0 0 338.415 2.864 40 0 EFABRN CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378499 216180988 /nfs/dbraw/zinc/18/09/88/216180988.db2.gz COUBDIINZXXIRW-HNNXBMFYSA-N 0 0 325.416 2.688 40 0 EFABRN COCC(=O)N1CCC[C@@H](c2cccc(-n3ccnc3C(C)C)n2)C1 ZINC000072378913 216181445 /nfs/dbraw/zinc/18/14/45/216181445.db2.gz DSCNTKUYPVHVGD-OAHLLOKOSA-N 0 0 342.443 2.743 40 0 EFABRN Cc1cc(Br)cc(C(=O)NCC[C@H](C)[S@](C)=O)c1 ZINC000129532687 223066390 /nfs/dbraw/zinc/06/63/90/223066390.db2.gz MUSJFBFMJZTMAN-XTZNXHDOSA-N 0 0 332.263 2.644 40 0 EFABRN Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378428 216181629 /nfs/dbraw/zinc/18/16/29/216181629.db2.gz FZJCTTSUXFIGMP-KRWDZBQOSA-N 0 0 333.395 2.948 40 0 EFABRN Cc1nc(C(=O)N2CCC(c3cccc(-n4ccnc4)n3)CC2)co1 ZINC000072379261 216181684 /nfs/dbraw/zinc/18/16/84/216181684.db2.gz SFOWPKIOUWKING-UHFFFAOYSA-N 0 0 337.383 2.584 40 0 EFABRN COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2cnccn2)C1 ZINC000072369624 216177927 /nfs/dbraw/zinc/17/79/27/216177927.db2.gz JHMUFSNVOATRQD-OAHLLOKOSA-N 0 0 325.412 2.742 40 0 EFABRN COCC(=O)N1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375222 216178037 /nfs/dbraw/zinc/17/80/37/216178037.db2.gz YAELUSGCZJWVFI-OAHLLOKOSA-N 0 0 326.400 2.839 40 0 EFABRN COCC(=O)N1CC[C@@H](c2nc(C)cc(Oc3ccc(F)cc3)n2)C1 ZINC000072383872 216185680 /nfs/dbraw/zinc/18/56/80/216185680.db2.gz RLZXWNDTRVBNDC-CYBMUJFWSA-N 0 0 345.374 2.679 40 0 EFABRN COCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 ZINC000072382527 216183106 /nfs/dbraw/zinc/18/31/06/216183106.db2.gz BBOJSJQFUSRWEB-LBPRGKRZSA-N 0 0 347.444 2.603 40 0 EFABRN COCC(=O)N1CCCC[C@H]1c1nc(C)cc(Nc2ccccn2)n1 ZINC000072382499 216183270 /nfs/dbraw/zinc/18/32/70/216183270.db2.gz SMXZHBJBKGBDFA-AWEZNQCLSA-N 0 0 341.415 2.624 40 0 EFABRN Cc1nc(Nc2ncccn2)cc([C@H]2CCN(C(=O)CC(C)C)C2)n1 ZINC000072383721 216183976 /nfs/dbraw/zinc/18/39/76/216183976.db2.gz YFEZCLJCGWIBQE-AWEZNQCLSA-N 0 0 340.431 2.681 40 0 EFABRN COc1ccc(Oc2cc(C)nc([C@H]3CCN(C(C)=O)C3)n2)cc1 ZINC000072383533 216184127 /nfs/dbraw/zinc/18/41/27/216184127.db2.gz IYLDNEGKQDHURG-AWEZNQCLSA-N 0 0 327.384 2.922 40 0 EFABRN COCCNc1cc([C@H]2CCN2Cc2ccc(OC)cc2)nc(C)n1 ZINC000072387604 216187283 /nfs/dbraw/zinc/18/72/83/216187283.db2.gz RPEFCMCGNKIQOE-GOSISDBHSA-N 0 0 342.443 2.799 40 0 EFABRN CNc1cc([C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1 ZINC000072387855 216188644 /nfs/dbraw/zinc/18/86/44/216188644.db2.gz FSSXFGXEBFRINZ-SFHVURJKSA-N 0 0 337.427 2.882 40 0 EFABRN CC(=O)N1CCN(Cc2c3cc(C)cnc3[nH]c2C(F)(F)F)CC1 ZINC000072395400 216192188 /nfs/dbraw/zinc/19/21/88/216192188.db2.gz XVAJGTCPQLSRKQ-UHFFFAOYSA-N 0 0 340.349 2.554 40 0 EFABRN Cn1nc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)c2nccnc21 ZINC000072393890 216192363 /nfs/dbraw/zinc/19/23/63/216192363.db2.gz GCKIECRXPGPYIZ-GFCCVEGCSA-N 0 0 339.374 2.522 40 0 EFABRN Cn1nc([C@H]2CCCN(C(=O)c3ccccc3F)C2)c2nccnc21 ZINC000072393891 216192523 /nfs/dbraw/zinc/19/25/23/216192523.db2.gz GCKIECRXPGPYIZ-LBPRGKRZSA-N 0 0 339.374 2.522 40 0 EFABRN 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SWTLZFUOOWFMBA-ZBFHGGJFSA-N 0 0 342.443 2.890 40 0 EFABRN Cc1cc(OCC(=O)NC2CCOCC2)cc(C)c1Br ZINC000190174027 238271184 /nfs/dbraw/zinc/27/11/84/238271184.db2.gz YUGGPFHATHURBM-UHFFFAOYSA-N 0 0 342.233 2.740 40 0 EFABRN COc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1OC ZINC000027697116 212574259 /nfs/dbraw/zinc/57/42/59/212574259.db2.gz UTSIHTARUHLTHF-NSHDSACASA-N 0 0 329.352 2.924 40 0 EFABRN COc1cc(C(=O)C2=Nc3ccccc3CN2)cc(OC)c1OC ZINC000027753392 212576391 /nfs/dbraw/zinc/57/63/91/212576391.db2.gz XDABIEXKUNQPGQ-UHFFFAOYSA-N 0 0 326.352 2.729 40 0 EFABRN CC(C)=CC(=O)NCc1ccc(C(=O)Oc2c(C)nn(C)c2C)cc1 ZINC000072497446 216262756 /nfs/dbraw/zinc/26/27/56/216262756.db2.gz USQHIVPGNXLHJC-UHFFFAOYSA-N 0 0 341.411 2.839 40 0 EFABRN Cc1cc(OC(F)F)c(C(=O)NCCNc2ccc(C)nn2)s1 ZINC000072574592 216276953 /nfs/dbraw/zinc/27/69/53/216276953.db2.gz RARSWMNBWDRKTA-UHFFFAOYSA-N 0 0 342.371 2.598 40 0 EFABRN C[C@H](c1ccccn1)N(C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000072552898 216273972 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ZINC000018947385 211996728 /nfs/dbraw/zinc/99/67/28/211996728.db2.gz FNBSFCJWSLRRMY-UHFFFAOYSA-N 0 0 329.385 2.776 40 0 EFABRN O=C(OCCCc1cccnc1)c1ccc(-n2cnnn2)cc1Cl ZINC000078443818 217053241 /nfs/dbraw/zinc/05/32/41/217053241.db2.gz HWGHEDCGPGRWQY-UHFFFAOYSA-N 0 0 343.774 2.500 40 0 EFABRN CCC(=O)N1CCC[C@H](C(=O)O[C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000078442436 217053539 /nfs/dbraw/zinc/05/35/39/217053539.db2.gz WTVLJARZALBAMS-BBRMVZONSA-N 0 0 346.427 2.898 40 0 EFABRN CCc1ccc(NC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 ZINC000078394796 217046576 /nfs/dbraw/zinc/04/65/76/217046576.db2.gz WQXYXYZTHYIOLC-HOCLYGCPSA-N 0 0 347.459 2.644 40 0 EFABRN CCc1nc(CSCc2nc(N)nc(Nc3ccccc3)n2)no1 ZINC000078394050 217046714 /nfs/dbraw/zinc/04/67/14/217046714.db2.gz SBZGMKPSXSSIIF-UHFFFAOYSA-N 0 0 343.416 2.576 40 0 EFABRN COc1ncccc1C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000078393914 217046933 /nfs/dbraw/zinc/04/69/33/217046933.db2.gz YNTICVQPKFFDEY-CYBMUJFWSA-N 0 0 349.431 2.562 40 0 EFABRN CC(=O)N1CCC(NC(=O)CS[C@H](C)CCc2ccccc2)CC1 ZINC000078394053 217047201 /nfs/dbraw/zinc/04/72/01/217047201.db2.gz TVGSSRJGVAMNFC-OAHLLOKOSA-N 0 0 348.512 2.868 40 0 EFABRN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCN2 ZINC000078403724 217048843 /nfs/dbraw/zinc/04/88/43/217048843.db2.gz KPKQXYQPWZPBIJ-AWEZNQCLSA-N 0 0 330.453 2.954 40 0 EFABRN O=C(c1sccc1OC(F)F)N1CCN(Cc2ccco2)CC1 ZINC000078498363 217063956 /nfs/dbraw/zinc/06/39/56/217063956.db2.gz XTQQFXBDAOTZLV-UHFFFAOYSA-N 0 0 342.367 2.901 40 0 EFABRN Cn1ccc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)cc1=O ZINC000078510613 217065871 /nfs/dbraw/zinc/06/58/71/217065871.db2.gz CGFQEBQRWFOGEX-QGZVFWFLSA-N 0 0 328.387 2.762 40 0 EFABRN CC(C)CNC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000078525804 217068874 /nfs/dbraw/zinc/06/88/74/217068874.db2.gz PXANCWMFMHYSFL-UHFFFAOYSA-N 0 0 344.459 2.751 40 0 EFABRN CC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000078548101 217072342 /nfs/dbraw/zinc/07/23/42/217072342.db2.gz VRSQAPLOORWTHB-KRWDZBQOSA-N 0 0 349.390 2.845 40 0 EFABRN O=C(C[S@](=O)Cc1cccc(F)c1)NCC1(c2ccccc2)CC1 ZINC000078556123 217075943 /nfs/dbraw/zinc/07/59/43/217075943.db2.gz ULTPELDZYCZNEJ-DEOSSOPVSA-N 0 0 345.439 2.922 40 0 EFABRN O=C(C[S@](=O)Cc1ccccc1)NCC1(c2ccccc2)CC1 ZINC000078556023 217076106 /nfs/dbraw/zinc/07/61/06/217076106.db2.gz SXPBZTQKLLSFED-QHCPKHFHSA-N 0 0 327.449 2.783 40 0 EFABRN O=C(C[S@@](=O)Cc1ccccc1F)NCC1(c2ccccc2)CC1 ZINC000078556007 217076252 /nfs/dbraw/zinc/07/62/52/217076252.db2.gz MRQWGKJDOKJDPK-XMMPIXPASA-N 0 0 345.439 2.922 40 0 EFABRN COc1cccc(C[S@@](=O)CC(=O)NCc2ccc(C)c(F)c2)c1 ZINC000078556247 217076337 /nfs/dbraw/zinc/07/63/37/217076337.db2.gz BHUNAYOJOZZOLY-DEOSSOPVSA-N 0 0 349.427 2.708 40 0 EFABRN COc1cccc(C[S@@](=O)[C@H](C)C(=O)NCc2ccccc2)c1 ZINC000078556257 217076595 /nfs/dbraw/zinc/07/65/95/217076595.db2.gz REKSHZFFTIEREK-FATZIPQQSA-N 0 0 331.437 2.649 40 0 EFABRN O=C(CSCc1cc(F)cc2c1OCOC2)NC1CCCC1 ZINC000078557529 217077198 /nfs/dbraw/zinc/07/71/98/217077198.db2.gz UFIDLYXFMAKACN-UHFFFAOYSA-N 0 0 325.405 2.984 40 0 EFABRN CN(C)C(=S)/N=c1\ssc(=S)n1Cc1ccccn1 ZINC000018038006 211977690 /nfs/dbraw/zinc/97/76/90/211977690.db2.gz CHRQMWFBTUXQFM-RAXLEYEMSA-N 0 0 328.513 2.531 40 0 EFABRN CC(=O)c1ccc(NC(=O)C(=O)NCc2csc(C(C)C)n2)cc1 ZINC000078602889 217084307 /nfs/dbraw/zinc/08/43/07/217084307.db2.gz RFGOWEWSWYOVQU-UHFFFAOYSA-N 0 0 345.424 2.724 40 0 EFABRN CCOC1CCN(C(=O)NCCOc2ccc(F)c(F)c2)CC1 ZINC000078605214 217085739 /nfs/dbraw/zinc/08/57/39/217085739.db2.gz FPECAZKAHRTQHS-UHFFFAOYSA-N 0 0 328.359 2.554 40 0 EFABRN CCO[C@H]1C[C@@H]1C(=O)OC1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000078612447 217087687 /nfs/dbraw/zinc/08/76/87/217087687.db2.gz HIUPXDFAVLAKPJ-ROUUACIJSA-N 0 0 331.412 2.826 40 0 EFABRN CC(C)c1cc(NC(=O)N2CCN([C@H](C)C(F)(F)F)CC2)no1 ZINC000078628065 217092432 /nfs/dbraw/zinc/09/24/32/217092432.db2.gz KSKSVQITDKADAP-SNVBAGLBSA-N 0 0 334.342 2.898 40 0 EFABRN COC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000078655983 217095474 /nfs/dbraw/zinc/09/54/74/217095474.db2.gz LCTHDEZBEGZCQD-LSDHHAIUSA-N 0 0 336.819 2.791 40 0 EFABRN O=C(NC[C@H]1CCOC1)Nc1cccc(OCc2cscn2)c1 ZINC000078657434 217096522 /nfs/dbraw/zinc/09/65/22/217096522.db2.gz KVQVDUJZEUVEIN-GFCCVEGCSA-N 0 0 333.413 2.880 40 0 EFABRN Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@H]1COCCO1 ZINC000078666531 217098429 /nfs/dbraw/zinc/09/84/29/217098429.db2.gz YKWALGXGULUWCO-CYBMUJFWSA-N 0 0 331.372 2.522 40 0 EFABRN C[C@H](NC(=O)c1sccc1S(=O)(=O)C(F)F)c1ccncc1 ZINC000078671484 217098920 /nfs/dbraw/zinc/09/89/20/217098920.db2.gz AMDWXWUZBLYXMG-QMMMGPOBSA-N 0 0 346.380 2.630 40 0 EFABRN CCCO[C@H]1CCCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1 ZINC000078671076 217099090 /nfs/dbraw/zinc/09/90/90/217099090.db2.gz NRPAFLDRDASSFK-CMAIMYMYSA-N 0 0 344.455 2.971 40 0 EFABRN C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(Br)c[nH]c2=O)C1 ZINC000078673032 217099319 /nfs/dbraw/zinc/09/93/19/217099319.db2.gz MJEBLUOQQKHAKS-MWLCHTKSSA-N 0 0 343.221 2.671 40 0 EFABRN COc1ccc(Cc2noc([C@@H]3C[C@@H]3c3cnn(C)c3)n2)cc1OC ZINC000078774608 217118546 /nfs/dbraw/zinc/11/85/46/217118546.db2.gz UCIONEGXBWKRKN-ZIAGYGMSSA-N 0 0 340.383 2.682 40 0 EFABRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CC[C@H]1CCCO1 ZINC000078769712 217117218 /nfs/dbraw/zinc/11/72/18/217117218.db2.gz JTCVOVMEGOFWLT-ZBFHGGJFSA-N 0 0 348.468 2.794 40 0 EFABRN O=C(Cc1noc(COCc2ccccc2)n1)NC1CCCCC1 ZINC000078773424 217117467 /nfs/dbraw/zinc/11/74/67/217117467.db2.gz LOBUUDVVJLGRTM-UHFFFAOYSA-N 0 0 329.400 2.778 40 0 EFABRN COC(=O)NCCCc1nc(-c2cc(Br)cs2)no1 ZINC000078774493 217118360 /nfs/dbraw/zinc/11/83/60/217118360.db2.gz WWIIGEAYUGLECX-UHFFFAOYSA-N 0 0 346.206 2.849 40 0 EFABRN CC(=O)Nc1nc(CSCc2nnnn2-c2ccccc2)cs1 ZINC000078714473 217107846 /nfs/dbraw/zinc/10/78/46/217107846.db2.gz FYSOVQDTQAPHCO-UHFFFAOYSA-N 0 0 346.441 2.511 40 0 EFABRN O=C(Nc1c(N2CCCC2)cccc1N1CCCC1)c1cnsn1 ZINC000078877807 217136814 /nfs/dbraw/zinc/13/68/14/217136814.db2.gz FWFYGCJLTCPMOE-UHFFFAOYSA-N 0 0 343.456 2.991 40 0 EFABRN COc1ccc(NC(=O)CNC(=O)OCC(F)(F)F)c(Cl)c1 ZINC000078883473 217139478 /nfs/dbraw/zinc/13/94/78/217139478.db2.gz IVZBWPBRHBMBBD-UHFFFAOYSA-N 0 0 340.685 2.576 40 0 EFABRN Cc1nn2cccnc2c1C(=O)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000078912679 217146008 /nfs/dbraw/zinc/14/60/08/217146008.db2.gz RRRNGZOVQIQMDB-NSHDSACASA-N 0 0 341.440 2.864 40 0 EFABRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)CCCNC(=O)C1CC1 ZINC000078917329 217147256 /nfs/dbraw/zinc/14/72/56/217147256.db2.gz GWUSZMXRRDHYES-ZRGWGRIASA-N 0 0 344.455 2.670 40 0 EFABRN O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000078914769 217147540 /nfs/dbraw/zinc/14/75/40/217147540.db2.gz KIIBUPFWQQPGNP-OLZOCXBDSA-N 0 0 339.326 2.510 40 0 EFABRN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(C(N)=O)cc1 ZINC000078917337 217147806 /nfs/dbraw/zinc/14/78/06/217147806.db2.gz RQIYSLMUFNMIJE-GLJUWKHASA-N 0 0 338.407 2.776 40 0 EFABRN CCc1nc(CN2CCC(CNC(=O)c3ccco3)CC2)cs1 ZINC000078917453 217147890 /nfs/dbraw/zinc/14/78/90/217147890.db2.gz XZNVQXKLHLJFNF-UHFFFAOYSA-N 0 0 333.457 2.941 40 0 EFABRN CCN(C(=O)[C@@H]1C[C@@H]1c1cccnc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078915195 217147946 /nfs/dbraw/zinc/14/79/46/217147946.db2.gz UMLVRPHOVRVGIQ-GUDVDZBRSA-N 0 0 349.434 2.839 40 0 EFABRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCc3c2cccc3O)C1 ZINC000078929107 217150507 /nfs/dbraw/zinc/15/05/07/217150507.db2.gz MRIMSAPDPRPDSK-CZUORRHYSA-N 0 0 344.455 2.780 40 0 EFABRN C[C@H](c1ccccn1)N(C)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078926208 217150837 /nfs/dbraw/zinc/15/08/37/217150837.db2.gz JGRZDOGVGXYOEX-ZIAGYGMSSA-N 0 0 348.447 2.793 40 0 EFABRN Cc1cc(C)n(-c2cncc(N3CC[C@@H](Nc4ccccc4)C3)n2)n1 ZINC000078988125 217166731 /nfs/dbraw/zinc/16/67/31/217166731.db2.gz OOKQOJQDNXWUQV-QGZVFWFLSA-N 0 0 334.427 2.970 40 0 EFABRN Cn1cc(-c2ncc(C(=O)N3CCC(n4cccc4)CC3)s2)cn1 ZINC000078991121 217167153 /nfs/dbraw/zinc/16/71/53/217167153.db2.gz LCZFLXLYBWOHKG-UHFFFAOYSA-N 0 0 341.440 2.822 40 0 EFABRN COc1ccncc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000078991215 217167282 /nfs/dbraw/zinc/16/72/82/217167282.db2.gz NJTBCLDJRMPVNS-OAHLLOKOSA-N 0 0 333.294 2.500 40 0 EFABRN CCOc1ncccc1NC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000078989855 217167306 /nfs/dbraw/zinc/16/73/06/217167306.db2.gz JSIIOLAAZWDJDI-UHFFFAOYSA-N 0 0 329.385 2.590 40 0 EFABRN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1c(C)noc1C ZINC000078990808 217167444 /nfs/dbraw/zinc/16/74/44/217167444.db2.gz UZMOSKFPTAFDIU-OAHLLOKOSA-N 0 0 329.400 2.758 40 0 EFABRN Cc1ccccc1-n1cc(C(=O)N[C@H]2CCC[C@H]2n2ccnc2)cn1 ZINC000078989953 217167897 /nfs/dbraw/zinc/16/78/97/217167897.db2.gz IEKRMCYTPHZITD-FUHWJXTLSA-N 0 0 335.411 2.901 40 0 EFABRN Cc1nonc1NC(=O)[C@@H](C)Oc1ccccc1Br ZINC000078996354 217168842 /nfs/dbraw/zinc/16/88/42/217168842.db2.gz VOUINCWYJKFLMQ-MRVPVSSYSA-N 0 0 326.150 2.547 40 0 EFABRN C[C@H](Oc1ccccc1Br)C(=O)NCC[C@@H]1CCCO1 ZINC000078998674 217169678 /nfs/dbraw/zinc/16/96/78/217169678.db2.gz CQWPJTUYAAWOBS-RYUDHWBXSA-N 0 0 342.233 2.902 40 0 EFABRN Cn1cc(CC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)cn1 ZINC000078996935 217169772 /nfs/dbraw/zinc/16/97/72/217169772.db2.gz MZYFKUDJMVPCCZ-MRXNPFEDSA-N 0 0 333.407 2.712 40 0 EFABRN COCc1cccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000078997699 217169932 /nfs/dbraw/zinc/16/99/32/217169932.db2.gz LWKMMTUGWKPITF-INIZCTEOSA-N 0 0 342.370 2.507 40 0 EFABRN C[C@@H](Oc1ccccc1Br)C(=O)NCCc1cccnc1 ZINC000078998721 217169969 /nfs/dbraw/zinc/16/99/69/217169969.db2.gz AMDMNNKGUDYCKT-GFCCVEGCSA-N 0 0 349.228 2.970 40 0 EFABRN CCC[C@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016637368 211923036 /nfs/dbraw/zinc/92/30/36/211923036.db2.gz LMMNVIQAMKNXEK-LBPRGKRZSA-N 0 0 346.880 2.655 40 0 EFABRN COc1ccc(CNC(=O)c2c(C)nn(C)c2C)c(C(F)(F)F)c1 ZINC000078979524 217162198 /nfs/dbraw/zinc/16/21/98/217162198.db2.gz SDAQLADZNLFHMA-UHFFFAOYSA-N 0 0 341.333 2.994 40 0 EFABRN COC(=O)NCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000078979329 217162965 /nfs/dbraw/zinc/16/29/65/217162965.db2.gz VVUBBIHHNKBREK-ZDUSSCGKSA-N 0 0 332.322 2.875 40 0 EFABRN COc1ccccc1[C@H]1C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000078979376 217163114 /nfs/dbraw/zinc/16/31/14/217163114.db2.gz SCIVXABMLKAFKJ-HZPDHXFCSA-N 0 0 339.391 2.886 40 0 EFABRN CO[C@@H]1CCC[C@@H]1OC(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000078985174 217163573 /nfs/dbraw/zinc/16/35/73/217163573.db2.gz OHXHNSIULPVEMH-ZBFHGGJFSA-N 0 0 334.368 2.531 40 0 EFABRN CC(C)(Oc1cccc(Cl)c1)C(=O)N1CCC(n2cncn2)CC1 ZINC000079034411 217178493 /nfs/dbraw/zinc/17/84/93/217178493.db2.gz XAMPVIQLMRFISG-UHFFFAOYSA-N 0 0 348.834 2.953 40 0 EFABRN CCN(C(=O)N[C@@H](c1ccccc1)C(C)C)[C@H](C)CS(C)(=O)=O ZINC000079036017 217179113 /nfs/dbraw/zinc/17/91/13/217179113.db2.gz LCGQSGMLTYIJLR-GDBMZVCRSA-N 0 0 340.489 2.848 40 0 EFABRN C[C@H](C(=O)N(Cc1ccco1)c1ccc(F)cc1F)n1cncn1 ZINC000079039496 217179426 /nfs/dbraw/zinc/17/94/26/217179426.db2.gz IDJVOLKAOFQFCB-LLVKDONJSA-N 0 0 332.310 2.944 40 0 EFABRN C[C@H](C(=O)N(Cc1c(F)cccc1F)C1CCCC1)S(C)(=O)=O ZINC000079040593 217179488 /nfs/dbraw/zinc/17/94/88/217179488.db2.gz MKSRHODKTDVAOP-LLVKDONJSA-N 0 0 345.411 2.669 40 0 EFABRN Cc1nc2c(s1)[C@H](OC(=O)c1cccc(-n3cnnn3)c1)CCC2 ZINC000079037513 217179728 /nfs/dbraw/zinc/17/97/28/217179728.db2.gz CIKYKBCUQIYHOD-CQSZACIVSA-N 0 0 341.396 2.662 40 0 EFABRN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCCc1ccccn1 ZINC000079038912 217179903 /nfs/dbraw/zinc/17/99/03/217179903.db2.gz BOESSGVYAKBDST-GOSISDBHSA-N 0 0 338.407 2.531 40 0 EFABRN C[C@@H]1CCCC[C@H]1OCC(=O)Oc1cccc(S(C)(=O)=O)c1 ZINC000079039273 217179942 /nfs/dbraw/zinc/17/99/42/217179942.db2.gz YLERRPGKMQGPQI-IUODEOHRSA-N 0 0 326.414 2.591 40 0 EFABRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000079042142 217180739 /nfs/dbraw/zinc/18/07/39/217180739.db2.gz XIXVMFABLUGREH-YUTCNCBUSA-N 0 0 343.876 2.725 40 0 EFABRN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCn2cccc2[C@@H]1C ZINC000079043514 217181208 /nfs/dbraw/zinc/18/12/08/217181208.db2.gz HMGRDXTWOMQREZ-KBPBESRZSA-N 0 0 326.400 2.602 40 0 EFABRN Cc1nnc(CNC(=O)c2ccc(OCc3ccccc3)cc2)n1C ZINC000079049400 217181620 /nfs/dbraw/zinc/18/16/20/217181620.db2.gz OYFCKQSMXDCTOQ-UHFFFAOYSA-N 0 0 336.395 2.633 40 0 EFABRN CN(CC(=O)N(Cc1cccnc1)C[C@H]1CCCO1)c1ccccc1 ZINC000079050450 217181695 /nfs/dbraw/zinc/18/16/95/217181695.db2.gz ZAKSAOPBBPNULG-LJQANCHMSA-N 0 0 339.439 2.726 40 0 EFABRN Cc1cccc(CN(Cc2ccccn2)C(=O)Cn2ccccc2=O)c1 ZINC000079000883 217170808 /nfs/dbraw/zinc/17/08/08/217170808.db2.gz XEIQLXQJXOYHFT-UHFFFAOYSA-N 0 0 347.418 2.781 40 0 EFABRN COc1ccccc1C[C@@H](C)CC(=O)NCc1nncn1C(C)C ZINC000079001374 217171536 /nfs/dbraw/zinc/17/15/36/217171536.db2.gz VPLYBEDTVKTHKG-CQSZACIVSA-N 0 0 330.432 2.753 40 0 EFABRN O=C(N[C@@H]1COc2ccccc21)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000078999480 217171567 /nfs/dbraw/zinc/17/15/67/217171567.db2.gz AZDFRKAPSGTBFY-YQQAZPJKSA-N 0 0 342.439 2.665 40 0 EFABRN O=C(CCCc1ccccc1)NOCC(=O)Nc1ccc(F)cc1F ZINC000079002829 217172591 /nfs/dbraw/zinc/17/25/91/217172591.db2.gz YNJZYJJRIVMQKH-UHFFFAOYSA-N 0 0 348.349 2.974 40 0 EFABRN Cc1ccc(-c2noc(COc3cccc(CC(N)=O)c3)n2)cc1F ZINC000079090001 217189488 /nfs/dbraw/zinc/18/94/88/217189488.db2.gz QZOHCODOMLRPQL-UHFFFAOYSA-N 0 0 341.342 2.791 40 0 EFABRN Cc1nn(C)cc1[C@@H](C)Nc1nc(N(C)C)cc(C(F)(F)F)n1 ZINC000079089691 217189613 /nfs/dbraw/zinc/18/96/13/217189613.db2.gz WIFXWMSEUHMTCM-MRVPVSSYSA-N 0 0 328.342 2.776 40 0 EFABRN C[C@H]([C@H](C)N(C)C(=O)NCC[C@H](C)c1ccccc1)S(C)(=O)=O ZINC000079098585 217192418 /nfs/dbraw/zinc/19/24/18/217192418.db2.gz JVKZWPARXCIUPV-SOUVJXGZSA-N 0 0 340.489 2.643 40 0 EFABRN O=C(c1ccc2nccn2c1)N(Cc1ccncc1)Cc1cccnc1 ZINC000079048841 217182233 /nfs/dbraw/zinc/18/22/33/217182233.db2.gz IABRONLYBXYDIG-UHFFFAOYSA-N 0 0 343.390 2.967 40 0 EFABRN CN(CCCNC(=O)c1cccc(F)c1)C(=O)c1cccc(F)c1 ZINC000016188529 211888573 /nfs/dbraw/zinc/88/85/73/211888573.db2.gz JEOKPVJURKOZPT-UHFFFAOYSA-N 0 0 332.350 2.857 40 0 EFABRN CC(C)OCCOCc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 ZINC000079295082 217204183 /nfs/dbraw/zinc/20/41/83/217204183.db2.gz 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Cc1nc(COc2ccc(O[C@H]3CCCCNC3=O)cc2)oc1C ZINC000079354013 217213964 /nfs/dbraw/zinc/21/39/64/217213964.db2.gz HKJXEMYTMRPLSH-INIZCTEOSA-N 0 0 330.384 2.918 40 0 EFABRN CN(C)c1cccc(C(=O)NCCc2csc(N3CCCC3)n2)c1 ZINC000079358699 217215068 /nfs/dbraw/zinc/21/50/68/217215068.db2.gz HHKZEPKGKARBPS-UHFFFAOYSA-N 0 0 344.484 2.782 40 0 EFABRN COc1c(NC(=O)c2ccc(F)cc2Br)c(C)nn1C ZINC000079358301 217215203 /nfs/dbraw/zinc/21/52/03/217215203.db2.gz KNQIGUZOGVJRPR-UHFFFAOYSA-N 0 0 342.168 2.891 40 0 EFABRN CC(C)(C)OC(=O)NCCCNC(=O)C1(c2cccc(F)c2)CC1 ZINC000079361762 217215789 /nfs/dbraw/zinc/21/57/89/217215789.db2.gz VSGYMAFOEBDDSX-UHFFFAOYSA-N 0 0 336.407 2.888 40 0 EFABRN COc1ccc2c(c1)OC[C@H](C(=O)N(C)[C@H](C)c1ccncc1)C2 ZINC000079321228 217208326 /nfs/dbraw/zinc/20/83/26/217208326.db2.gz RIQRXVURYPKGHT-CZUORRHYSA-N 0 0 326.396 2.861 40 0 EFABRN COc1ccc(C[S@](=O)Cc2cccc(C(=O)N(C)C)c2)cc1F ZINC000079324704 217208355 /nfs/dbraw/zinc/20/83/55/217208355.db2.gz DSXOSQFHEMDNCZ-DEOSSOPVSA-N 0 0 349.427 2.985 40 0 EFABRN CC(C)(CNC(=O)CSc1ccncc1)c1ccc2c(c1)OCO2 ZINC000079320626 217208382 /nfs/dbraw/zinc/20/83/82/217208382.db2.gz MVCCPLBDFHFFRZ-UHFFFAOYSA-N 0 0 344.436 2.996 40 0 EFABRN COc1ccc2c(c1)OC[C@H](C(=O)N(C)[C@@H](C)c1ccncc1)C2 ZINC000079321224 217208739 /nfs/dbraw/zinc/20/87/39/217208739.db2.gz RIQRXVURYPKGHT-XJKSGUPXSA-N 0 0 326.396 2.861 40 0 EFABRN Cc1cc(C)n(CCCNC(=O)CSCC(=O)c2ccccc2)n1 ZINC000079330737 217209345 /nfs/dbraw/zinc/20/93/45/217209345.db2.gz CYOSKMVPYZLQFQ-UHFFFAOYSA-N 0 0 345.468 2.622 40 0 EFABRN Cn1cc(-c2ncc(C(=O)O[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)s2)cn1 ZINC000110643818 220051062 /nfs/dbraw/zinc/05/10/62/220051062.db2.gz AWUWVGXBACYPJJ-KWCYVHTRSA-N 0 0 347.440 2.904 40 0 EFABRN CC(C)[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391585 217219230 /nfs/dbraw/zinc/21/92/30/217219230.db2.gz IOIFHORDDMLMHR-MRXNPFEDSA-N 0 0 334.416 2.583 40 0 EFABRN C[C@@H]1CN(CCc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 ZINC000110646591 220051519 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/nfs/dbraw/zinc/55/37/74/218553774.db2.gz LEWJBZCFSGTTJU-INIZCTEOSA-N 0 0 338.411 2.724 40 0 EFABRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(F)cc1 ZINC000096060552 218553790 /nfs/dbraw/zinc/55/37/90/218553790.db2.gz JIPLJRQEOGDWKI-QGZVFWFLSA-N 0 0 330.407 2.573 40 0 EFABRN Cc1ccsc1C(=O)N1C[C@H](c2nc(C)no2)C[C@H]2OCC[C@H]21 ZINC000096064926 218559795 /nfs/dbraw/zinc/55/97/95/218559795.db2.gz VKWZBVQMVCYAAZ-JHJVBQTASA-N 0 0 333.413 2.535 40 0 EFABRN Cc1nc(CO[C@H]2COC3(C2)CCN(c2cncnc2)CC3)cs1 ZINC000096073184 218571375 /nfs/dbraw/zinc/57/13/75/218571375.db2.gz LEEHSKWTPIYYRX-MRXNPFEDSA-N 0 0 346.456 2.586 40 0 EFABRN COc1ccc(CC(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 ZINC000006921568 210744974 /nfs/dbraw/zinc/74/49/74/210744974.db2.gz XPHRGJJKHUZXFK-LJQANCHMSA-N 0 0 339.391 2.801 40 0 EFABRN O=C(c1ccoc1)N1CCO[C@@H]2C[C@@H](COCc3ccccn3)C[C@@H]21 ZINC000096082930 218582278 /nfs/dbraw/zinc/58/22/78/218582278.db2.gz FIIDESJMQYRVHJ-JCGIZDLHSA-N 0 0 342.395 2.511 40 0 EFABRN CCC(CC)C(=O)N1CCc2onc(COc3cccnc3)c2C1 ZINC000096085118 218583695 /nfs/dbraw/zinc/58/36/95/218583695.db2.gz UKAQXPHAJXONEX-UHFFFAOYSA-N 0 0 329.400 2.970 40 0 EFABRN COC[C@@H]1CC2(CO1)CCN(C(=O)CCc1ccccc1C)CC2 ZINC000096105795 218598435 /nfs/dbraw/zinc/59/84/35/218598435.db2.gz NICCBAAKXMVAEW-SFHVURJKSA-N 0 0 331.456 2.972 40 0 EFABRN CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc(N2CCCCC2)n1 ZINC000096101217 218594729 /nfs/dbraw/zinc/59/47/29/218594729.db2.gz NGVMKFZXJYOVIJ-GASCZTMLSA-N 0 0 346.475 2.840 40 0 EFABRN Cc1cc2nc(CO[C@H]3CN(Cc4ncc[nH]4)C[C@H]3F)[nH]c2cc1C ZINC000096112350 218608170 /nfs/dbraw/zinc/60/81/70/218608170.db2.gz ZPDWRDXSVBTNLU-CJNGLKHVSA-N 0 0 343.406 2.642 40 0 biogenic,in-vitro EFABRN Cn1c(CO[C@H]2CN(Cc3nccs3)C[C@H]2F)nc2ccccc21 ZINC000096112205 218608482 /nfs/dbraw/zinc/60/84/82/218608482.db2.gz LVABLLUOQAZHPO-DOMZBBRYSA-N 0 0 346.431 2.769 40 0 biogenic,in-vitro EFABRN Cc1cccc2c1nc1n2[C@@H](CNC(=O)Cc2ccccc2)COC1 ZINC000096112606 218608704 /nfs/dbraw/zinc/60/87/04/218608704.db2.gz ISFNWQCQOJOSRK-INIZCTEOSA-N 0 0 335.407 2.775 40 0 biogenic,in-vitro EFABRN Cc1cccc(OC2CCN(S(=O)(=O)c3cccs3)CC2)n1 ZINC000096119567 218612518 /nfs/dbraw/zinc/61/25/18/218612518.db2.gz AITUZXLKKRCTAH-UHFFFAOYSA-N 0 0 338.454 2.684 40 0 EFABRN Cc1noc(C)c1CN1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC000096109743 218604313 /nfs/dbraw/zinc/60/43/13/218604313.db2.gz YNZGFHBVAQKSJZ-CYBMUJFWSA-N 0 0 330.432 2.991 40 0 EFABRN O=C(C1=CCCC1)N1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096110388 218606016 /nfs/dbraw/zinc/60/60/16/218606016.db2.gz LEDKPRNGNVKJFV-MJGOQNOKSA-N 0 0 328.412 2.578 40 0 EFABRN COc1ccc(CNC(=S)NCCOc2ccccc2OC)cc1 ZINC000006784568 210709979 /nfs/dbraw/zinc/70/99/79/210709979.db2.gz AWVJLURYXMFVES-UHFFFAOYSA-N 0 0 346.452 2.747 40 0 EFABRN CCc1nc(-c2noc3ccc(C(=O)N(C)CCOC)cc32)co1 ZINC000096154399 218630908 /nfs/dbraw/zinc/63/09/08/218630908.db2.gz ZKDWXBLKDSBBMX-UHFFFAOYSA-N 0 0 329.356 2.764 40 0 EFABRN Cc1cncc(C(=O)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c1 ZINC000096161349 218637776 /nfs/dbraw/zinc/63/77/76/218637776.db2.gz GJMKJPDLLWMFKR-GOSISDBHSA-N 0 0 349.434 2.526 40 0 EFABRN COc1c(C(=O)N2CCC(C)CC2)nnn1Cc1ccc(C)cc1 ZINC000096183387 218645098 /nfs/dbraw/zinc/64/50/98/218645098.db2.gz DYPCVVZJCQIOFQ-UHFFFAOYSA-N 0 0 328.416 2.516 40 0 EFABRN COc1ccccc1OCC(=O)Nc1cc(-c2ccncc2)no1 ZINC000096183265 218645679 /nfs/dbraw/zinc/64/56/79/218645679.db2.gz XNIDXDYFWSTJLR-UHFFFAOYSA-N 0 0 325.324 2.763 40 0 EFABRN CCn1ccc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)n1 ZINC000096183173 218645940 /nfs/dbraw/zinc/64/59/40/218645940.db2.gz KUUMBGWDEMSDKX-UHFFFAOYSA-N 0 0 326.400 2.556 40 0 EFABRN Cc1ccc(CN2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)s1 ZINC000096187543 218654528 /nfs/dbraw/zinc/65/45/28/218654528.db2.gz VMSVIZKFMVYXMK-UHFFFAOYSA-N 0 0 330.457 2.542 40 0 EFABRN O=C(Cc1cccs1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC000096187919 218655087 /nfs/dbraw/zinc/65/50/87/218655087.db2.gz RKAAIFCAJYKBPR-OAHLLOKOSA-N 0 0 345.468 2.572 40 0 EFABRN CCn1ncc2c1[C@@H](COCC1CC1)N(C(=O)c1cscn1)CC2 ZINC000096197833 218667843 /nfs/dbraw/zinc/66/78/43/218667843.db2.gz PMEDIMHEGOTRKW-OAHLLOKOSA-N 0 0 346.456 2.526 40 0 EFABRN COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2c1cnn2CC1CC1 ZINC000096197937 218668373 /nfs/dbraw/zinc/66/83/73/218668373.db2.gz DBCNULIWWJRBQV-AWEZNQCLSA-N 0 0 345.468 2.670 40 0 EFABRN COc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCC3CCC3)C2)cc1 ZINC000096206868 218681708 /nfs/dbraw/zinc/68/17/08/218681708.db2.gz CBKQJUILZCFMJD-YLJYHZDGSA-N 0 0 345.439 2.601 40 0 EFABRN O=C(CC1CC1)N1CCC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC000096208509 218683991 /nfs/dbraw/zinc/68/39/91/218683991.db2.gz RZLVSCGCCRAZIQ-HKUYNNGSSA-N 0 0 330.428 2.548 40 0 EFABRN Cc1occc1C(=O)N1CC[C@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC000096217554 218691966 /nfs/dbraw/zinc/69/19/66/218691966.db2.gz VVLFHOKLPIMXOE-LPHOPBHVSA-N 0 0 342.395 2.573 40 0 EFABRN Cc1nnc(N2CCC3(CCOC[C@@H]3COCC3CC3)CC2)s1 ZINC000096218395 218692428 /nfs/dbraw/zinc/69/24/28/218692428.db2.gz AFHJBCWOQHVGKO-OAHLLOKOSA-N 0 0 337.489 2.896 40 0 EFABRN O=C(c1cccc(F)c1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096218586 218694005 /nfs/dbraw/zinc/69/40/05/218694005.db2.gz VVNYOWNXTIJTCJ-HKUYNNGSSA-N 0 0 342.370 2.673 40 0 EFABRN Cc1cc(C)n(Cc2cccc(-c3nc4c5cnnc-5ncn4[nH]3)c2)n1 ZINC000006412779 210631700 /nfs/dbraw/zinc/63/17/00/210631700.db2.gz HXRANCAJZMHZTK-UHFFFAOYSA-N 0 0 344.382 2.529 40 0 EFABRN O=C(CC1CCCC1)N1CC[C@@]2(C[C@@H]2C(=O)NCc2ccncc2)C1 ZINC000096227579 218704318 /nfs/dbraw/zinc/70/43/18/218704318.db2.gz LWGWRTZYEOKRGI-YLJYHZDGSA-N 0 0 341.455 2.517 40 0 EFABRN COc1ccc2[nH]c3nc(SCC(=O)NC(C)(C)C)nnc3c2c1 ZINC000006357265 210623293 /nfs/dbraw/zinc/62/32/93/210623293.db2.gz RELVSUVICVTINC-UHFFFAOYSA-N 0 0 345.428 2.522 40 0 EFABRN CCOC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000006316420 210618209 /nfs/dbraw/zinc/61/82/09/210618209.db2.gz OVUCULUASBRYRM-UHFFFAOYSA-N 0 0 331.393 2.615 40 0 EFABRN CCC(=O)N1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096241617 218714322 /nfs/dbraw/zinc/71/43/22/218714322.db2.gz FSRJJIKDVANPOV-UHFFFAOYSA-N 0 0 338.451 2.976 40 0 EFABRN CC(C)n1cnc2nnc3ccc(C(=O)NCc4cccnc4)cc3c21 ZINC000096264239 218732078 /nfs/dbraw/zinc/73/20/78/218732078.db2.gz SPKRQCMUDKFPHW-UHFFFAOYSA-N 0 0 346.394 2.885 40 0 EFABRN Cc1ccc(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c(C)c1 ZINC000096336179 218744341 /nfs/dbraw/zinc/74/43/41/218744341.db2.gz BBYHCHPNIDXNIZ-UHFFFAOYSA-N 0 0 339.321 2.961 40 0 EFABRN Cc1ncsc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000096405201 218754822 /nfs/dbraw/zinc/75/48/22/218754822.db2.gz KJZCFXLHUVFWNL-CYBMUJFWSA-N 0 0 347.465 2.914 40 0 EFABRN CCCNC(=O)CCC(=O)N1CCSC[C@@H]1c1ccc(C)cc1 ZINC000096407602 218759190 /nfs/dbraw/zinc/75/91/90/218759190.db2.gz MDLAXXIKUNWXMA-MRXNPFEDSA-N 0 0 334.485 2.918 40 0 EFABRN COC(=O)NCc1ccc(Nc2ncc(Br)cn2)cc1 ZINC000096409551 218762528 /nfs/dbraw/zinc/76/25/28/218762528.db2.gz YIIKSSSNSOMPTD-UHFFFAOYSA-N 0 0 337.177 2.839 40 0 EFABRN O=C(/C=C/c1ccnc2ccccc12)N1CCC[C@H](C2OCCO2)C1 ZINC000096410082 218763049 /nfs/dbraw/zinc/76/30/49/218763049.db2.gz GUFYZCDKYXWISE-WAVCKPEOSA-N 0 0 338.407 2.860 40 0 EFABRN CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(C(N)=O)cc2)c1 ZINC000096410162 218763917 /nfs/dbraw/zinc/76/39/17/218763917.db2.gz KAQZNBJSUMWOHZ-GOSISDBHSA-N 0 0 337.423 2.829 40 0 EFABRN C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1 ZINC000096410243 218764094 /nfs/dbraw/zinc/76/40/94/218764094.db2.gz OCOINXUHDIWTQM-DZGCQCFKSA-N 0 0 338.473 2.891 40 0 EFABRN COCCS(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1 ZINC000096408700 218760615 /nfs/dbraw/zinc/76/06/15/218760615.db2.gz QXERIJWQYUZMJF-AWEZNQCLSA-N 0 0 325.455 2.598 40 0 EFABRN C[C@H](NC(=O)NCC[S@@](C)=O)c1cc(F)c(Cl)cc1Cl ZINC000096408735 218760793 /nfs/dbraw/zinc/76/07/93/218760793.db2.gz YAYXKPRWRAQBDL-JKNYTWMOSA-N 0 0 341.235 2.871 40 0 EFABRN CCc1ncncc1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000096412601 218768587 /nfs/dbraw/zinc/76/85/87/218768587.db2.gz MCGXSADCTWYHRE-GOSISDBHSA-N 0 0 343.402 2.764 40 0 EFABRN C[C@@H]1Cc2cc(S(=O)(=O)NCc3cscn3)cc(Cl)c2O1 ZINC000096413031 218769978 /nfs/dbraw/zinc/76/99/78/218769978.db2.gz GVBRKOGKOCYATA-MRVPVSSYSA-N 0 0 344.845 2.598 40 0 EFABRN O=C(CCc1c[nH]c2ccccc12)Nc1cnn(-c2ncccn2)c1 ZINC000096414097 218771050 /nfs/dbraw/zinc/77/10/50/218771050.db2.gz YOICEAXBSXNXAW-UHFFFAOYSA-N 0 0 332.367 2.715 40 0 EFABRN COC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000152388659 223955287 /nfs/dbraw/zinc/95/52/87/223955287.db2.gz QKRBOAQBGQSLRC-SSDOTTSWSA-N 0 0 330.258 2.758 40 0 EFABRN CC(C)(C)c1nnc(CNC(=O)c2cccc3c2OCCO3)s1 ZINC000268320857 251823582 /nfs/dbraw/zinc/82/35/82/251823582.db2.gz ZQWKYLWDPLAPMN-UHFFFAOYSA-N 0 0 333.413 2.537 40 0 EFABRN CC[C@H](c1ccncc1)N(C)C(=O)NCc1cccnc1N(C)C ZINC000096415219 218774767 /nfs/dbraw/zinc/77/47/67/218774767.db2.gz RXZMEEVCQMHGOI-MRXNPFEDSA-N 0 0 327.432 2.835 40 0 EFABRN C[C@H](NC(=O)NCC(C)(C)CCS(C)(=O)=O)c1ccccc1 ZINC000096415167 218774257 /nfs/dbraw/zinc/77/42/57/218774257.db2.gz PVTRNBDHDPFQKA-ZDUSSCGKSA-N 0 0 326.462 2.508 40 0 EFABRN C[C@H]1CCCC[C@H]1OCCNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000096416903 218778562 /nfs/dbraw/zinc/77/85/62/218778562.db2.gz PSDAKIWZHPUSRJ-DZGCQCFKSA-N 0 0 347.415 2.974 40 0 EFABRN COc1ccc(OC)c(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 ZINC000042646635 532969542 /nfs/dbraw/zinc/96/95/42/532969542.db2.gz RHJRZXPKGHCXNV-UHFFFAOYSA-N 0 0 348.786 2.612 40 0 EFABRN CN(C)c1ccc(CCCNC(=O)NC[C@@H](O)c2ccsc2)cc1 ZINC000096417653 218778929 /nfs/dbraw/zinc/77/89/29/218778929.db2.gz UBQXNVUHOYMYID-QGZVFWFLSA-N 0 0 347.484 2.780 40 0 EFABRN CCCc1nnc(NC(=O)NC[C@](C)(O)c2cccs2)s1 ZINC000096417934 218779839 /nfs/dbraw/zinc/77/98/39/218779839.db2.gz UGBBWGGXHFTLOE-ZDUSSCGKSA-N 0 0 326.447 2.581 40 0 EFABRN O=c1c2cnc(N3CCCC3)[nH]c-2cn1CCc1ccc(Cl)cc1 ZINC000057279620 285027484 /nfs/dbraw/zinc/02/74/84/285027484.db2.gz XMXNARAJTQVUHN-UHFFFAOYSA-N 0 0 342.830 2.929 40 0 EFABRN COc1ccc(OC)c2c1CN(c1nnc(C(C)C)s1)C[C@@H]2O ZINC000153060522 532996037 /nfs/dbraw/zinc/99/60/37/532996037.db2.gz JXLLWSNTSYIWSK-NSHDSACASA-N 0 0 335.429 2.732 40 0 EFABRN COc1ccc(Br)cc1NC(=O)NC[C@H](O)C(C)C ZINC000096420133 218784195 /nfs/dbraw/zinc/78/41/95/218784195.db2.gz LNFTUMBQXZJHDG-NSHDSACASA-N 0 0 331.210 2.596 40 0 EFABRN COc1c(C)cnc(CN(C)C(=O)c2nc(C)n3ccccc23)c1C ZINC000096420717 218785726 /nfs/dbraw/zinc/78/57/26/218785726.db2.gz SASVWUZKVNYNSZ-UHFFFAOYSA-N 0 0 338.411 2.935 40 0 EFABRN CCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1 ZINC000096426316 218796356 /nfs/dbraw/zinc/79/63/56/218796356.db2.gz FTTRXTLMSMIBCF-AWEZNQCLSA-N 0 0 343.402 2.809 40 0 EFABRN Cn1ccnc1S[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000096422200 218789265 /nfs/dbraw/zinc/78/92/65/218789265.db2.gz TYLGIAFGMMINLT-JTQLQIEISA-N 0 0 344.209 2.640 40 0 EFABRN O=C(NCCCOC1CCOCC1)c1ccc(Br)cc1 ZINC000096423107 218789771 /nfs/dbraw/zinc/78/97/71/218789771.db2.gz PATONWGAEBHUTA-UHFFFAOYSA-N 0 0 342.233 2.765 40 0 EFABRN COc1cc(C(=O)NCCc2cccc(C(=O)N(C)C)c2)ccc1C ZINC000096423159 218789788 /nfs/dbraw/zinc/78/97/88/218789788.db2.gz 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Cc1ccsc1CN1CCCC[C@@H]1c1n[nH]cc1S(C)(=O)=O ZINC000257343663 302302261 /nfs/dbraw/zinc/30/22/61/302302261.db2.gz ZTXRDWAYFPGLKI-GFCCVEGCSA-N 0 0 339.486 2.910 40 0 EFABRN Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1cccs1)C2 ZINC000096198304 303059186 /nfs/dbraw/zinc/05/91/86/303059186.db2.gz QCVIEQGXDSQONT-AWEZNQCLSA-N 0 0 331.441 2.648 40 0 EFABRN O=C(C1CCC1)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000097237915 303554226 /nfs/dbraw/zinc/55/42/26/303554226.db2.gz GGKKWFXZRQMUQP-ZDUSSCGKSA-N 0 0 326.318 2.505 40 0 EFABRN O=C(N1CCCC1)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 ZINC000012088530 303669868 /nfs/dbraw/zinc/66/98/68/303669868.db2.gz RYFIRHKOWKMJEF-MRXNPFEDSA-N 0 0 337.427 2.934 40 0 EFABRN O=C(N1CC[C@@]2(CCOC2)C1)C1(c2ccc(F)cc2)CCOCC1 ZINC000096462290 303693265 /nfs/dbraw/zinc/69/32/65/303693265.db2.gz WAUDHBBNTQSEFA-GOSISDBHSA-N 0 0 333.403 2.513 40 0 EFABRN Fc1cccc2c1ncnc2N1CCN(CC(F)(F)C(F)F)CC1 ZINC000302896449 311207129 /nfs/dbraw/zinc/20/71/29/311207129.db2.gz PBBYWVNDVOYXAU-UHFFFAOYSA-N 0 0 346.303 2.791 40 0 EFABRN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cccc2cnccc21 ZINC000328949457 311259933 /nfs/dbraw/zinc/25/99/33/311259933.db2.gz HGAIQHNGRBXBNN-KRWDZBQOSA-N 0 0 336.395 2.788 40 0 EFABRN Cc1ccc2snc(C(=O)N3CCOC[C@@H]3[C@H]3CCCC3=O)c2c1 ZINC000329035265 311262711 /nfs/dbraw/zinc/26/27/11/311262711.db2.gz MSDMIBQEPRBMQE-TZMCWYRMSA-N 0 0 344.436 2.815 40 0 EFABRN Cc1ccc2snc(C(=O)N3CCOC[C@H]3[C@H]3CCCC3=O)c2c1 ZINC000329035264 311262772 /nfs/dbraw/zinc/26/27/72/311262772.db2.gz MSDMIBQEPRBMQE-OCCSQVGLSA-N 0 0 344.436 2.815 40 0 EFABRN Cc1ccc2snc(C(=O)N3CCOC[C@H]3[C@@H]3CCCC3=O)c2c1 ZINC000329035263 311262910 /nfs/dbraw/zinc/26/29/10/311262910.db2.gz MSDMIBQEPRBMQE-JSGCOSHPSA-N 0 0 344.436 2.815 40 0 EFABRN CC(C)Oc1cccc(C(=O)N2CCN3CCOc4cccc2c43)n1 ZINC000329134303 311266921 /nfs/dbraw/zinc/26/69/21/311266921.db2.gz ZOAYBDGCUNOUOB-UHFFFAOYSA-N 0 0 339.395 2.728 40 0 EFABRN C[C@@]1(NS(=O)(=O)c2ccc3c(c2)CCCC3)CCO[C@@H]1C1CC1 ZINC000329642925 311286071 /nfs/dbraw/zinc/28/60/71/311286071.db2.gz ISMQQAWSWRQRHU-QZTJIDSGSA-N 0 0 335.469 2.801 40 0 EFABRN C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000329763370 311291883 /nfs/dbraw/zinc/29/18/83/311291883.db2.gz UKMXPYGJWGHDLI-HBNTYKKESA-N 0 0 347.337 2.653 40 0 EFABRN Cc1nc([C@H]2CCCN2S(=O)(=O)c2cncc(F)c2)cs1 ZINC000330016509 311301623 /nfs/dbraw/zinc/30/16/23/311301623.db2.gz PQQAKWYQPUCMPN-CYBMUJFWSA-N 0 0 327.406 2.511 40 0 EFABRN CC[C@H]1CN(C(=O)CCNc2ccccc2C)C[C@@]2(CCOC2)O1 ZINC000330065533 311303235 /nfs/dbraw/zinc/30/32/35/311303235.db2.gz SBSJNNHHDAQZOL-QFBILLFUSA-N 0 0 332.444 2.594 40 0 EFABRN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C)c1cncc(F)c1 ZINC000330721078 311330954 /nfs/dbraw/zinc/33/09/54/311330954.db2.gz FJYGLEKVRPSXOI-DOMZBBRYSA-N 0 0 335.423 2.825 40 0 EFABRN CC(C)(C)[C@@H](NC(=O)Cn1ncc2c1C[C@@H](O)CC2)c1cccs1 ZINC000331451967 311378890 /nfs/dbraw/zinc/37/88/90/311378890.db2.gz DBXDARZPDSBWJJ-GUYCJALGSA-N 0 0 347.484 2.698 40 0 EFABRN CCO[C@@H](C)c1ncc(-c2nc(C3(OC)CCOCC3)no2)s1 ZINC000331492854 311382650 /nfs/dbraw/zinc/38/26/50/311382650.db2.gz AMPCRTSXUQPWAB-JTQLQIEISA-N 0 0 339.417 2.943 40 0 EFABRN O=C(N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H]1CNC(=O)C1 ZINC000331521057 311385579 /nfs/dbraw/zinc/38/55/79/311385579.db2.gz KHXCLILGUBSQOU-UBHSHLNASA-N 0 0 340.345 2.594 40 0 EFABRN CCC(CC)N1C[C@@H](C(=O)N2CCC=C(c3ccco3)C2)CC1=O ZINC000331767285 311417857 /nfs/dbraw/zinc/41/78/57/311417857.db2.gz CJADKCKDYFOINY-HNNXBMFYSA-N 0 0 330.428 2.932 40 0 EFABRN Cc1nc(CN2CCN(C(=O)c3cc[nH]c3C(C)C)CC2)oc1C ZINC000332091719 311454014 /nfs/dbraw/zinc/45/40/14/311454014.db2.gz LZYJSRFEOWSCLV-UHFFFAOYSA-N 0 0 330.432 2.701 40 0 EFABRN COc1ccccc1CC1CCN(C(=O)c2c[nH]cc(C)c2=O)CC1 ZINC000332207552 311471275 /nfs/dbraw/zinc/47/12/75/311471275.db2.gz TVCRZTRELIRRIX-UHFFFAOYSA-N 0 0 340.423 2.787 40 0 EFABRN O=C([C@H]1CCc2cccnc21)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000333393739 311608389 /nfs/dbraw/zinc/60/83/89/311608389.db2.gz 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316890818 /nfs/dbraw/zinc/89/08/18/316890818.db2.gz IADJTSAMDHDTCG-VXGBXAGGSA-N 0 0 347.358 2.555 40 0 EFABRN O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)N2C3CCC2CC3)C1 ZINC000531799806 317314270 /nfs/dbraw/zinc/31/42/70/317314270.db2.gz SBNUDXPQWBIQHJ-WWDZGPRUSA-N 0 0 341.455 2.557 40 0 EFABRN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(C)ccc2O)c1 ZINC000065071512 323213093 /nfs/dbraw/zinc/21/30/93/323213093.db2.gz HAYJYGYYFTXSNK-GFCCVEGCSA-N 0 0 328.368 2.926 40 0 EFABRN COCc1noc(CNc2c(F)cc(F)cc2Br)n1 ZINC000097095837 323213327 /nfs/dbraw/zinc/21/33/27/323213327.db2.gz NJPWENKNSDINBL-UHFFFAOYSA-N 0 0 334.120 2.869 40 0 EFABRN CC(C)N(C)c1cccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)c1 ZINC000097099322 323213382 /nfs/dbraw/zinc/21/33/82/323213382.db2.gz SDQFPHVHGRXEBC-AWEZNQCLSA-N 0 0 332.448 2.651 40 0 EFABRN CC[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[C@H]1CCCO1 ZINC000090859043 323213392 /nfs/dbraw/zinc/21/33/92/323213392.db2.gz WMRGCRJMFHHSRZ-TUKIKUTGSA-N 0 0 329.437 2.837 40 0 EFABRN COCc1ccc([C@@H]2CCCN2C(=O)NCCc2cscn2)o1 ZINC000097095125 323213414 /nfs/dbraw/zinc/21/34/14/323213414.db2.gz LDJILWMXXWCMFA-AWEZNQCLSA-N 0 0 335.429 2.972 40 0 EFABRN CC1CCC(O)(CS(=O)(=O)Cc2csc(C3CC3)n2)CC1 ZINC000097230976 323213819 /nfs/dbraw/zinc/21/38/19/323213819.db2.gz PABBAFSXFPCCNL-UHFFFAOYSA-N 0 0 329.487 2.877 40 0 EFABRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1ccncc1O ZINC000097233333 323213951 /nfs/dbraw/zinc/21/39/51/323213951.db2.gz LMMKDHTXKXCNEX-MRVPVSSYSA-N 0 0 342.321 2.905 40 0 EFABRN CCc1ccc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1F ZINC000097101359 323213979 /nfs/dbraw/zinc/21/39/79/323213979.db2.gz NZIQRMDPJHDAEQ-AWEZNQCLSA-N 0 0 335.423 2.574 40 0 EFABRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1ccncc1O ZINC000097233335 323214043 /nfs/dbraw/zinc/21/40/43/323214043.db2.gz LMMKDHTXKXCNEX-QMMMGPOBSA-N 0 0 342.321 2.905 40 0 EFABRN C[C@H]1CC[C@@H](NC(=O)CC(=O)NCC(F)(F)F)c2ccccc21 ZINC000097235749 323214209 /nfs/dbraw/zinc/21/42/09/323214209.db2.gz ACMCZSPMOOXZMB-GXFFZTMASA-N 0 0 328.334 2.810 40 0 EFABRN O=C([C@H]1CCOC1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000097237847 323214238 /nfs/dbraw/zinc/21/42/38/323214238.db2.gz BYTGGJKLLDXRJD-SMDDNHRTSA-N 0 0 329.318 2.642 40 0 EFABRN CC[C@H](NCc1nc2ccccc2o1)c1cccc(S(N)(=O)=O)c1 ZINC000097370707 323214318 /nfs/dbraw/zinc/21/43/18/323214318.db2.gz GGGWAVVKXTZRHJ-AWEZNQCLSA-N 0 0 345.424 2.716 40 0 EFABRN CSc1cccc(N(C)C(=O)CNC(=O)c2cccc(F)c2)c1 ZINC000097238591 323214344 /nfs/dbraw/zinc/21/43/44/323214344.db2.gz PQZLONGMNJCOLP-UHFFFAOYSA-N 0 0 332.400 2.940 40 0 EFABRN C[C@@H](C(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cccnc1 ZINC000097237380 323214399 /nfs/dbraw/zinc/21/43/99/323214399.db2.gz QCNZESIKMZZCCJ-LLVKDONJSA-N 0 0 325.347 2.672 40 0 EFABRN CN(C(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1ccc(F)c(F)c1 ZINC000097373897 323214611 /nfs/dbraw/zinc/21/46/11/323214611.db2.gz OOSRMRDILVAUFD-CYBMUJFWSA-N 0 0 334.322 2.804 40 0 EFABRN CC(C)c1ncc(Cl)c(C(=O)N2CCOC[C@H]2c2cccn2C)n1 ZINC000097379450 323214701 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Cc1ccccc1NC(=O)CCN1CCOC[C@@H]1c1cccn1C ZINC000131877167 323218839 /nfs/dbraw/zinc/21/88/39/323218839.db2.gz WOJWFQMLMJQTEZ-GOSISDBHSA-N 0 0 327.428 2.736 40 0 EFABRN O=C(NCc1nncn1C1CC1)N[C@@H](c1ccccc1)C(F)(F)F ZINC000133745740 323219467 /nfs/dbraw/zinc/21/94/67/323219467.db2.gz JVTYZLXGRVXGGS-ZDUSSCGKSA-N 0 0 339.321 2.716 40 0 EFABRN C[C@H](C[S@](C)=O)N(C)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC000133764560 323219479 /nfs/dbraw/zinc/21/94/79/323219479.db2.gz WTOHSVGUBJYXTK-KGENIHDKSA-N 0 0 336.379 2.698 40 0 EFABRN CN(C)C(=O)c1ccnc(NCc2csc(-c3ccccn3)n2)c1 ZINC000158819565 323221926 /nfs/dbraw/zinc/22/19/26/323221926.db2.gz FREWRJMFTVPBNL-UHFFFAOYSA-N 0 0 339.424 2.914 40 0 EFABRN C[C@@H]1CN(C(=O)Nc2cccnc2-n2cncn2)[C@H]1c1ccccc1 ZINC000158955791 323222215 /nfs/dbraw/zinc/22/22/15/323222215.db2.gz AFKATDHFVCZAQP-CZUORRHYSA-N 0 0 334.383 2.887 40 0 EFABRN Cc1nc(CC(C)C)c(NC(=O)N2CCC[C@@H](CC(N)=O)C2)s1 ZINC000162875760 323222768 /nfs/dbraw/zinc/22/27/68/323222768.db2.gz 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342.804 2.678 40 0 EFABRN COCCn1nc(C)c(CNC(=O)NC2[C@H](C)CCC[C@@H]2C)c1C ZINC000081488654 473207360 /nfs/dbraw/zinc/20/73/60/473207360.db2.gz FSZVAWAXSITPJK-MPYYAJLASA-N 0 0 336.480 2.770 40 0 EFABRN O=C(NC[C@H](O)C1CCCCC1)C1(c2ccccc2)CCOCC1 ZINC000070636672 472500477 /nfs/dbraw/zinc/50/04/77/472500477.db2.gz SKXCGNRYCCYUHU-SFHVURJKSA-N 0 0 331.456 2.792 40 0 EFABRN CC[C@H](C)Oc1cc(C(=O)NC2(c3noc(C)n3)CCC2)ccn1 ZINC000095464275 473209597 /nfs/dbraw/zinc/20/95/97/473209597.db2.gz QYGWJOZROVJXBG-NSHDSACASA-N 0 0 330.388 2.760 40 0 EFABRN CC(=O)N1CC(NC(=O)c2cc(C)ccc2SC2CCCC2)C1 ZINC000095464143 473209938 /nfs/dbraw/zinc/20/99/38/473209938.db2.gz CJNJOGAHAZXBBR-UHFFFAOYSA-N 0 0 332.469 2.990 40 0 EFABRN COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(F)c3)n2)cc1OC ZINC000095533889 473221839 /nfs/dbraw/zinc/22/18/39/473221839.db2.gz BGOBPICQZNALTJ-OAHLLOKOSA-N 0 0 328.347 2.676 40 0 EFABRN Cc1ccc([C@H](C(=O)[O-])[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000095635343 473223347 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O=C(c1ccco1)N1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000096040004 473260113 /nfs/dbraw/zinc/26/01/13/473260113.db2.gz OWZVZNZQIWAGCB-MJGOQNOKSA-N 0 0 342.395 2.765 40 0 EFABRN Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000096039851 473260278 /nfs/dbraw/zinc/26/02/78/473260278.db2.gz IGRYOLKOZVMQHX-ICSRJNTNSA-N 0 0 344.455 2.828 40 0 EFABRN CCOc1ccsc1C(=O)N1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC000096039248 473260293 /nfs/dbraw/zinc/26/02/93/473260293.db2.gz VJOYQMQHQNZRLX-PBHICJAKSA-N 0 0 339.457 2.805 40 0 EFABRN O=C(c1cscn1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096039833 473260421 /nfs/dbraw/zinc/26/04/21/473260421.db2.gz BPQAWGBPNMTKPQ-DOTOQJQBSA-N 0 0 336.457 2.581 40 0 EFABRN Cc1ccc(C(=O)N2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096041370 473261017 /nfs/dbraw/zinc/26/10/17/473261017.db2.gz YPUDQMQWEXIZNP-BQFCYCMXSA-N 0 0 342.395 2.572 40 0 EFABRN O=C(CC1CC1)N1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC000096040486 473261237 /nfs/dbraw/zinc/26/12/37/473261237.db2.gz 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2.732 40 0 EFABRN O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 ZINC000096043026 473265057 /nfs/dbraw/zinc/26/50/57/473265057.db2.gz RYMPFUYACYXSRD-RRQGHBQHSA-N 0 0 346.452 2.637 40 0 EFABRN Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@H]2O1 ZINC000096042852 473265355 /nfs/dbraw/zinc/26/53/55/473265355.db2.gz UCVUYFGUAWEVPQ-CGTJXYLNSA-N 0 0 341.411 2.601 40 0 EFABRN Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)C4=CCCCC4)C[C@H]3O2)n1 ZINC000096046380 473267713 /nfs/dbraw/zinc/26/77/13/473267713.db2.gz RVRMAAWLZJYYHB-RYQLBKOJSA-N 0 0 327.428 2.964 40 0 EFABRN c1csc(CN2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048245 473270516 /nfs/dbraw/zinc/27/05/16/473270516.db2.gz QUIBTXVEQYJSMR-DOTOQJQBSA-N 0 0 331.441 2.741 40 0 EFABRN c1ccc(CO[C@H]2COC3(C2)CCN(c2ncccn2)CC3)cc1 ZINC000096047866 473268582 /nfs/dbraw/zinc/26/85/82/473268582.db2.gz SPPHXNJNGZVMJH-QGZVFWFLSA-N 0 0 325.412 2.821 40 0 EFABRN COc1ccc(N[C@H]2CO[C@]3(CCN(Cc4nccs4)C3)C2)cc1 ZINC000096047616 473269899 /nfs/dbraw/zinc/26/98/99/473269899.db2.gz BQVYKLFFDUZCFZ-CRAIPNDOSA-N 0 0 345.468 2.997 40 0 EFABRN c1csc(CN2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048246 473270904 /nfs/dbraw/zinc/27/09/04/473270904.db2.gz QUIBTXVEQYJSMR-WBVHZDCISA-N 0 0 331.441 2.741 40 0 EFABRN O=C(c1ccco1)N1CCC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049110 473271138 /nfs/dbraw/zinc/27/11/38/473271138.db2.gz QPAYQXSWZXSZOW-GOSISDBHSA-N 0 0 346.452 2.848 40 0 EFABRN O=C(c1ccco1)N1CCC[C@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096049113 473271306 /nfs/dbraw/zinc/27/13/06/473271306.db2.gz NQEXXHBXBHFHGR-SFHVURJKSA-N 0 0 346.452 2.848 40 0 EFABRN CN(C(=O)c1csnn1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190436993 473274427 /nfs/dbraw/zinc/27/44/27/473274427.db2.gz IVMCJQAISOWIRI-RYUDHWBXSA-N 0 0 344.223 2.575 40 0 EFABRN c1csc(CN2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)n1 ZINC000096055435 473278751 /nfs/dbraw/zinc/27/87/51/473278751.db2.gz RZDPMLUBKOWUNW-SOUVJXGZSA-N 0 0 331.441 2.597 40 0 EFABRN Cc1occc1C(=O)N1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096057988 473281673 /nfs/dbraw/zinc/28/16/73/473281673.db2.gz WHIIIWKRPYJWHO-RCCFBDPRSA-N 0 0 342.395 2.572 40 0 EFABRN O=C(c1ccccn1)N1CC[C@H]2OCCC[C@]2(COCC2CC2)C1 ZINC000096057019 473282000 /nfs/dbraw/zinc/28/20/00/473282000.db2.gz QGMIIARTJYPQGD-IEBWSBKVSA-N 0 0 330.428 2.520 40 0 EFABRN CCOC[C@H]1CN(Cc2ccncc2)Cc2cn(CC3CC3)nc21 ZINC000096059975 473283407 /nfs/dbraw/zinc/28/34/07/473283407.db2.gz FBJKYSBZKBTYMN-GOSISDBHSA-N 0 0 326.444 2.824 40 0 EFABRN CCOC[C@@H]1CN(Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060326 473283486 /nfs/dbraw/zinc/28/34/86/473283486.db2.gz MHXZYIYEWWYKBX-KRWDZBQOSA-N 0 0 326.444 2.824 40 0 EFABRN c1cn2c(n1)CN(Cc1ccoc1)C[C@@H](COCc1cccnc1)C2 ZINC000096059140 473283795 /nfs/dbraw/zinc/28/37/95/473283795.db2.gz UWLPVRNUYKHDOW-GOSISDBHSA-N 0 0 338.411 2.720 40 0 EFABRN COCCN1CCN(Cc2ccc(OC)cc2)Cc2cccnc21 ZINC000096060928 473285900 /nfs/dbraw/zinc/28/59/00/473285900.db2.gz HUEWSAYPHONTQJ-UHFFFAOYSA-N 0 0 327.428 2.559 40 0 EFABRN Cn1nnc2c1[C@@H](COCc1ccccc1)CN(Cc1ccco1)C2 ZINC000096060796 473285991 /nfs/dbraw/zinc/28/59/91/473285991.db2.gz LEWJBZCFSGTTJU-MRXNPFEDSA-N 0 0 338.411 2.724 40 0 EFABRN Cn1nnc2c1CCN(Cc1ccccn1)[C@@H]2COCc1ccccc1 ZINC000096060533 473286163 /nfs/dbraw/zinc/28/61/63/473286163.db2.gz LOOMBTXJJPSNPC-LJQANCHMSA-N 0 0 349.438 2.526 40 0 EFABRN Cc1ccc(C(=O)N2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)s1 ZINC000096066420 473286599 /nfs/dbraw/zinc/28/65/99/473286599.db2.gz MXQZVQYVCGDCPB-MGPQQGTHSA-N 0 0 347.440 2.783 40 0 EFABRN O=C(c1ccc2cc[nH]c2c1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC000096072240 473289778 /nfs/dbraw/zinc/28/97/78/473289778.db2.gz VFJRXXTWMXKYPU-XLIONFOSSA-N 0 0 340.423 2.968 40 0 EFABRN O=C(Cc1ccccc1)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccnc2)C1 ZINC000096074985 473291862 /nfs/dbraw/zinc/29/18/62/473291862.db2.gz GSRVGAUQPFTMFZ-FXAWDEMLSA-N 0 0 335.407 2.501 40 0 EFABRN CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2 ZINC000096096198 473292744 /nfs/dbraw/zinc/29/27/44/473292744.db2.gz GJKOFYAKUXPSOZ-UHFFFAOYSA-N 0 0 340.449 2.966 40 0 EFABRN CCn1nnc2c1CCN(Cc1ccsc1)[C@@H]2COCC1CC1 ZINC000096092598 473292911 /nfs/dbraw/zinc/29/29/11/473292911.db2.gz JRQUQRCEBQAZIU-MRXNPFEDSA-N 0 0 332.473 2.886 40 0 EFABRN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccoc1)c1ccccc1 ZINC000096082649 473293751 /nfs/dbraw/zinc/29/37/51/473293751.db2.gz RVPKKXGQVHVCGK-IPMKNSEASA-N 0 0 340.423 2.689 40 0 EFABRN CCC1=N[C@@]2(CC[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)C(=O)N1C ZINC000096087548 473294042 /nfs/dbraw/zinc/29/40/42/473294042.db2.gz BUKMJXAWWMGCKC-FRIZHTMISA-N 0 0 340.427 2.580 40 0 EFABRN Cc1nc(N(C)C)nc(C)c1NC(=O)COc1ccc(Cl)cc1 ZINC000096098531 473294273 /nfs/dbraw/zinc/29/42/73/473294273.db2.gz ANIRJBBYLSQXSA-UHFFFAOYSA-N 0 0 334.807 2.830 40 0 EFABRN CN(C)c1ncc(NC(=O)c2c(F)cccc2Cl)c(N(C)C)n1 ZINC000096098754 473294730 /nfs/dbraw/zinc/29/47/30/473294730.db2.gz CDRZJKHHYUQKCK-UHFFFAOYSA-N 0 0 337.786 2.653 40 0 EFABRN Cc1nc(CO[C@H]2CN(C(=O)C3=CCCC3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096100061 473295798 /nfs/dbraw/zinc/29/57/98/473295798.db2.gz QQFNTXJLBBASTH-IKGGRYGDSA-N 0 0 348.468 2.837 40 0 EFABRN CCOc1ccc(CC(=O)NC2CCN(c3nccs3)CC2)cc1 ZINC000096099789 473296505 /nfs/dbraw/zinc/29/65/05/473296505.db2.gz AMOPETYNAMQYEK-UHFFFAOYSA-N 0 0 345.468 2.870 40 0 EFABRN CC(C)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc(N2CCCCC2)n1 ZINC000096101218 473296851 /nfs/dbraw/zinc/29/68/51/473296851.db2.gz NGVMKFZXJYOVIJ-GJZGRUSLSA-N 0 0 346.475 2.840 40 0 EFABRN CCOC[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(OC)cc1)CC2 ZINC000096105879 473297014 /nfs/dbraw/zinc/29/70/14/473297014.db2.gz DQYASODDQXPOJT-GOSISDBHSA-N 0 0 347.455 2.672 40 0 EFABRN CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000096103426 473297085 /nfs/dbraw/zinc/29/70/85/473297085.db2.gz XFPOBMOMCHFBJX-CQSZACIVSA-N 0 0 346.452 2.663 40 0 EFABRN COc1ccc(CCNC(=O)Nc2cnn(C3CCOCC3)c2)cc1 ZINC000096104620 473297486 /nfs/dbraw/zinc/29/74/86/473297486.db2.gz HNPOVVNFNHZDFX-UHFFFAOYSA-N 0 0 344.415 2.607 40 0 EFABRN COc1cc(OC)cc(C(=O)Nc2cnn(C3CCOCC3)c2)c1 ZINC000096104569 473297793 /nfs/dbraw/zinc/29/77/93/473297793.db2.gz AXXJXWPZWIEIOK-UHFFFAOYSA-N 0 0 331.372 2.504 40 0 EFABRN COc1cc(NC(=O)Nc2cnn(C3CCOCC3)c2)cc(OC)c1 ZINC000096104624 473297811 /nfs/dbraw/zinc/29/78/11/473297811.db2.gz CSZQBUXWNCTOTA-UHFFFAOYSA-N 0 0 346.387 2.896 40 0 EFABRN COC[C@H]1COCCC12CCN(C(=O)COc1ccc(C)cc1)CC2 ZINC000096106366 473298669 /nfs/dbraw/zinc/29/86/69/473298669.db2.gz CRGMUDWVWDPLPG-KRWDZBQOSA-N 0 0 347.455 2.666 40 0 EFABRN CC(C)n1ccnc1CNc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000124763940 473298745 /nfs/dbraw/zinc/29/87/45/473298745.db2.gz FCOVKICLHVUUJZ-UHFFFAOYSA-N 0 0 342.443 2.985 40 0 EFABRN COC[C@@H]1COCCC12CCN(C(=O)COc1ccccc1C)CC2 ZINC000096106365 473298768 /nfs/dbraw/zinc/29/87/68/473298768.db2.gz UYSOOMOMJBRASJ-QGZVFWFLSA-N 0 0 347.455 2.666 40 0 EFABRN O=C(Cc1ccco1)N1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106515 473299035 /nfs/dbraw/zinc/29/90/35/473299035.db2.gz GBWRUAASZDLCRL-KRWDZBQOSA-N 0 0 347.455 2.894 40 0 EFABRN COC[C@H]1COCCC12CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000096106295 473299045 /nfs/dbraw/zinc/29/90/45/473299045.db2.gz JMVBZPVIJWJOSX-INIZCTEOSA-N 0 0 335.419 2.660 40 0 EFABRN COc1cccc(C(=O)N2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC000096106618 473299074 /nfs/dbraw/zinc/29/90/74/473299074.db2.gz CUOAPJCMULEDEN-SFHVURJKSA-N 0 0 345.439 2.886 40 0 EFABRN O=C(CC1CC1)N1CCC2(C[C@H](OCc3ccncc3)CO2)CC1 ZINC000096106863 473299153 /nfs/dbraw/zinc/29/91/53/473299153.db2.gz JAHFXGGUQZPNMD-KRWDZBQOSA-N 0 0 330.428 2.548 40 0 EFABRN Cc1cccc(CO[C@H]2COC3(C2)CCN(C(=O)CC2CC2)CC3)n1 ZINC000096106808 473299187 /nfs/dbraw/zinc/29/91/87/473299187.db2.gz KCWYCUZYUXGIJH-GOSISDBHSA-N 0 0 344.455 2.857 40 0 EFABRN Cc1cc(CN2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107546 473300018 /nfs/dbraw/zinc/30/00/18/473300018.db2.gz JUBJPLGFCCEURK-WMZOPIPTSA-N 0 0 329.400 2.581 40 0 EFABRN O=C(c1ccccc1)N1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096106978 473299690 /nfs/dbraw/zinc/29/96/90/473299690.db2.gz UHXUJUICHDMGRN-KRWDZBQOSA-N 0 0 338.407 2.924 40 0 EFABRN Cc1ccc(C(=O)N2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cn1 ZINC000096107248 473300146 /nfs/dbraw/zinc/30/01/46/473300146.db2.gz VIUVCTCKZLNMGC-MJGOQNOKSA-N 0 0 330.428 2.580 40 0 EFABRN O=C(c1ccoc1)N1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107357 473300280 /nfs/dbraw/zinc/30/02/80/473300280.db2.gz CUROEVIIDWXOQB-QAPCUYQASA-N 0 0 328.368 2.517 40 0 EFABRN CCOCC(=O)N1C[C@H]2CCC[C@@]2(COCc2csc(C)n2)C1 ZINC000096109285 473302067 /nfs/dbraw/zinc/30/20/67/473302067.db2.gz VUMNLOZBBPYWFR-PBHICJAKSA-N 0 0 338.473 2.633 40 0 EFABRN CO[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1Cc1cccc(C)c1 ZINC000096110213 473304256 /nfs/dbraw/zinc/30/42/56/473304256.db2.gz AHSMVDOPSPYZST-FUHWJXTLSA-N 0 0 325.412 2.505 40 0 EFABRN CCn1nc(C)cc1C(=O)N1CC[C@H](OC)[C@@H](Cc2ccccc2)C1 ZINC000096110509 473304475 /nfs/dbraw/zinc/30/44/75/473304475.db2.gz ARPBBYBUTRUXPK-HKUYNNGSSA-N 0 0 341.455 2.931 40 0 EFABRN Fc1cnccc1CN1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112187 473304775 /nfs/dbraw/zinc/30/47/75/473304775.db2.gz PDGFCJSFSSVKJH-PBHICJAKSA-N 0 0 344.365 2.836 40 0 biogenic,in-vitro EFABRN COc1ccc(C[C@H]2CN(c3cc(OC)ncn3)CC[C@H]2OC)cc1 ZINC000096111162 473304802 /nfs/dbraw/zinc/30/48/02/473304802.db2.gz KSZLFSQFXMNEAT-DOTOQJQBSA-N 0 0 343.427 2.578 40 0 EFABRN O=C(NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1)C1CCCC1 ZINC000096112854 473305272 /nfs/dbraw/zinc/30/52/72/473305272.db2.gz XZONTCRCKBHWGF-INIZCTEOSA-N 0 0 325.412 2.755 40 0 biogenic,in-vitro EFABRN Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccc(F)cc2)COC1 ZINC000096112610 473305297 /nfs/dbraw/zinc/30/52/97/473305297.db2.gz JHQBSDWMAJBDDB-HNNXBMFYSA-N 0 0 339.370 2.985 40 0 biogenic,in-vitro EFABRN O=C(c1ccccc1)N1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112022 473305492 /nfs/dbraw/zinc/30/54/92/473305492.db2.gz WJWDEIJSEZJGCV-PBHICJAKSA-N 0 0 339.370 2.942 40 0 biogenic,in-vitro EFABRN O=C(NCc1nccc(N2CCCC2)n1)c1c(F)cccc1Cl ZINC000096120750 473306785 /nfs/dbraw/zinc/30/67/85/473306785.db2.gz JECYKZYHNRIWPK-UHFFFAOYSA-N 0 0 334.782 2.799 40 0 EFABRN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)CCc1ccccc1 ZINC000096120729 473306866 /nfs/dbraw/zinc/30/68/66/473306866.db2.gz HRARFFCVASZRNH-UHFFFAOYSA-N 0 0 340.427 2.501 40 0 EFABRN CCOc1ccccc1C(=O)N1CCC(Oc2ccc(C)nn2)CC1 ZINC000096119405 473307400 /nfs/dbraw/zinc/30/74/00/473307400.db2.gz NCLNGLJNBDIGTI-UHFFFAOYSA-N 0 0 341.411 2.867 40 0 EFABRN CC(C)CS(=O)(=O)C1CN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000096122003 473307629 /nfs/dbraw/zinc/30/76/29/473307629.db2.gz XAFMEIXTLSDOEY-UHFFFAOYSA-N 0 0 343.876 2.554 40 0 EFABRN Cc1nc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccs2)sc1C ZINC000096130238 473309766 /nfs/dbraw/zinc/30/97/66/473309766.db2.gz UKCHRVSNQFNIRA-GXFFZTMASA-N 0 0 335.454 2.980 40 0 EFABRN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000096134028 473311735 /nfs/dbraw/zinc/31/17/35/473311735.db2.gz KOWMWGGWUHKMKW-TVQRCGJNSA-N 0 0 346.374 2.804 40 0 EFABRN Cc1cnc(CNC(=O)c2ccc3ccc(N(C)CC4CC4)n3c2)cn1 ZINC000096146150 473313675 /nfs/dbraw/zinc/31/36/75/473313675.db2.gz ADXZDUIIVZGSIS-UHFFFAOYSA-N 0 0 349.438 2.814 40 0 EFABRN Cn1cnc(-c2cccc(NC(=O)NC[C@@H](O)C3CCCCC3)c2)n1 ZINC000162191614 473313878 /nfs/dbraw/zinc/31/38/78/473313878.db2.gz ICRADTQVVPSMIS-MRXNPFEDSA-N 0 0 343.431 2.545 40 0 EFABRN CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)c1cccc(C)c1 ZINC000096519909 473456005 /nfs/dbraw/zinc/45/60/05/473456005.db2.gz HAAMMOVSSPJFNL-WDEREUQCSA-N 0 0 341.654 2.751 40 0 EFABRN CCCC(=O)N1CCC2(CC1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC000096156917 473316595 /nfs/dbraw/zinc/31/65/95/473316595.db2.gz KZZQBBLKDHHAOB-MRXNPFEDSA-N 0 0 330.428 2.808 40 0 EFABRN O=C(c1ccsc1)N1CCC[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096158110 473318735 /nfs/dbraw/zinc/31/87/35/473318735.db2.gz JMNMWXVQRHSZRF-KRWDZBQOSA-N 0 0 328.441 2.671 40 0 EFABRN CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccccc1F ZINC000096518203 473455899 /nfs/dbraw/zinc/45/58/99/473455899.db2.gz BPASDENLAZWYQH-SNVBAGLBSA-N 0 0 343.601 2.731 40 0 EFABRN CN(Cc1ccccc1F)C(=O)CNc1cccc(Cl)c1C(N)=O ZINC000083143374 473325266 /nfs/dbraw/zinc/32/52/66/473325266.db2.gz YUVGGFQREJYMRQ-UHFFFAOYSA-N 0 0 349.793 2.649 40 0 EFABRN CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1cccc(Cl)c1 ZINC000096519703 473456654 /nfs/dbraw/zinc/45/66/54/473456654.db2.gz KDXJJZLTHSVOAD-BDAKNGLRSA-N 0 0 348.045 2.706 40 0 EFABRN CN1C(=O)C[C@@H](C(=O)NCc2cccc(F)c2)[C@@H]1c1cccs1 ZINC000096181116 473322903 /nfs/dbraw/zinc/32/29/03/473322903.db2.gz WNQLDOFHWMGYMS-CZUORRHYSA-N 0 0 332.400 2.723 40 0 EFABRN CCn1cc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)cn1 ZINC000096183184 473324449 /nfs/dbraw/zinc/32/44/49/473324449.db2.gz MWQXBQXGGDTLBS-UHFFFAOYSA-N 0 0 326.400 2.556 40 0 EFABRN Cc1nnc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)s1 ZINC000096181834 473324564 /nfs/dbraw/zinc/32/45/64/473324564.db2.gz IDOCBXPGANXLRW-OCCSQVGLSA-N 0 0 348.403 2.534 40 0 EFABRN Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(C)cc1 ZINC000096181213 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0 EFABRN Cc1ccc(F)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000005277404 471497793 /nfs/dbraw/zinc/49/77/93/471497793.db2.gz JWEAXGPQXHJDDT-UHFFFAOYSA-N 0 0 334.372 2.820 40 0 EFABRN CC(=O)c1ccc(NC(=O)C=CC(=O)OCC(F)(F)C(F)F)cc1 ZINC000005379248 471502336 /nfs/dbraw/zinc/50/23/36/471502336.db2.gz MOONYPMKAFQMKR-VOTSOKGWSA-N 0 0 347.264 2.828 40 0 EFABRN Cc1csc2nc(COC(=O)CCc3ccccc3)cc(=O)n12 ZINC000005367831 471502743 /nfs/dbraw/zinc/50/27/43/471502743.db2.gz FBYUKYVZZLXPHL-UHFFFAOYSA-N 0 0 328.393 2.740 40 0 EFABRN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000005400964 471503163 /nfs/dbraw/zinc/50/31/63/471503163.db2.gz DCHLXPKJKBNALL-ZIAGYGMSSA-N 0 0 328.412 2.758 40 0 EFABRN O=C(Cc1c[nH]c2ccccc12)OCN1C(=O)c2ccccc2C1=O ZINC000005400145 471503381 /nfs/dbraw/zinc/50/33/81/471503381.db2.gz FHXNOTLQMAUTTD-UHFFFAOYSA-N 0 0 334.331 2.507 40 0 EFABRN CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCc1ccccc1OC ZINC000005414215 471504703 /nfs/dbraw/zinc/50/47/03/471504703.db2.gz DERRXLWHDFNIKR-HOTGVXAUSA-N 0 0 332.444 2.596 40 0 biogenic,in-vitro EFABRN CNc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000005407186 471505029 /nfs/dbraw/zinc/50/50/29/471505029.db2.gz OLBHDJKCJPNBIL-JTQLQIEISA-N 0 0 333.775 2.961 40 0 EFABRN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000005450045 471505981 /nfs/dbraw/zinc/50/59/81/471505981.db2.gz NEMJIHJQIVVBFF-GOSISDBHSA-N 0 0 342.326 2.522 40 0 EFABRN Cc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1F ZINC000005440991 471506200 /nfs/dbraw/zinc/50/62/00/471506200.db2.gz VSBYFVZQYNLINI-UHFFFAOYSA-N 0 0 334.738 2.600 40 0 EFABRN CC(C)COC(=O)/C=C(/CC(=O)OCC(C)C)C(=O)OCC(C)C ZINC000005454040 471506782 /nfs/dbraw/zinc/50/67/82/471506782.db2.gz ZZDFZNPBXGCBBN-CHHVJCJISA-N 0 0 342.432 2.901 40 0 EFABRN O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCCCCC1 ZINC000005483551 471508026 /nfs/dbraw/zinc/50/80/26/471508026.db2.gz HHAFXYUIHYGRIQ-UHFFFAOYSA-N 0 0 345.468 2.739 40 0 EFABRN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc2ncccc2c1 ZINC000005525788 471509292 /nfs/dbraw/zinc/50/92/92/471509292.db2.gz DUTAMKVILOMUDS-HNNXBMFYSA-N 0 0 327.409 2.591 40 0 EFABRN COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)NCc1ccccc1 ZINC000005537792 471509344 /nfs/dbraw/zinc/50/93/44/471509344.db2.gz SHWFJTWLPOLIJK-ZDUSSCGKSA-N 0 0 343.379 2.566 40 0 EFABRN Nc1cc(N)n2nc(-c3ccc(Cl)cc3)c(Br)c2n1 ZINC000005579552 471512113 /nfs/dbraw/zinc/51/21/13/471512113.db2.gz NRTLDAKLEAQRHH-UHFFFAOYSA-N 0 0 338.596 2.977 40 0 EFABRN COc1ccc(Cl)cc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000005630965 471514098 /nfs/dbraw/zinc/51/40/98/471514098.db2.gz MVFOSKZQTFTPGQ-GFCCVEGCSA-N 0 0 333.771 2.918 40 0 EFABRN CNC(=O)NC(=O)[C@H](OC(=O)CCC1CCCC1)c1ccccc1 ZINC000005617362 471514222 /nfs/dbraw/zinc/51/42/22/471514222.db2.gz MNGHYLZYYOGEFZ-MRXNPFEDSA-N 0 0 332.400 2.697 40 0 EFABRN O=C(COc1ccccc1Cc1ccccc1)NC1=NCCS1 ZINC000005633875 471515103 /nfs/dbraw/zinc/51/51/03/471515103.db2.gz YBIQTROPRTZRPX-UHFFFAOYSA-N 0 0 326.421 2.875 40 0 EFABRN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc2cn[nH]c2c1 ZINC000005634405 471515273 /nfs/dbraw/zinc/51/52/73/471515273.db2.gz WQBSYAUNAGBDDN-MRXNPFEDSA-N 0 0 325.324 2.861 40 0 EFABRN COc1cc(NC(=O)Cc2ccc3c(c2)OCCO3)cc(OC)c1 ZINC000005681713 471516564 /nfs/dbraw/zinc/51/65/64/471516564.db2.gz XUWCJHJEKJBGAQ-UHFFFAOYSA-N 0 0 329.352 2.656 40 0 EFABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000005694029 471517459 /nfs/dbraw/zinc/51/74/59/471517459.db2.gz PXBMLPKUVWKMMN-SWLSCSKDSA-N 0 0 333.384 2.781 40 0 EFABRN Cc1cccc(NC(=O)CSc2nnnn2-c2cccc(F)c2)c1 ZINC000005795497 471521953 /nfs/dbraw/zinc/52/19/53/471521953.db2.gz IPABYHRSCWTSPY-UHFFFAOYSA-N 0 0 343.387 2.841 40 0 EFABRN COc1cc2ccnc3c2c(c1OC)C[C@@H]1C[C@@H](O)[C@@H](OC)C[C@@H]31 ZINC000005883215 471523908 /nfs/dbraw/zinc/52/39/08/471523908.db2.gz AEGFKXRLKDOCNT-GBOPCIDUSA-N 0 0 329.396 2.678 40 0 EFABRN COc1cccc(CC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 ZINC000005985714 471528348 /nfs/dbraw/zinc/52/83/48/471528348.db2.gz SACQHSSSERPKJH-NSHDSACASA-N 0 0 348.786 2.857 40 0 EFABRN COCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C ZINC000006022858 471529714 /nfs/dbraw/zinc/52/97/14/471529714.db2.gz OLPQZUUEESMUOE-INIZCTEOSA-N 0 0 348.443 2.501 40 0 EFABRN O=C(OCc1nnc(-c2ccccc2)o1)[C@@H]1COc2ccccc2O1 ZINC000006055099 471530749 /nfs/dbraw/zinc/53/07/49/471530749.db2.gz CXXZDDFGQMNZSJ-HNNXBMFYSA-N 0 0 338.319 2.620 40 0 EFABRN C/C=C/c1ccc(OCC(=O)OCC(=O)c2ccc[nH]2)c(OC)c1 ZINC000006176468 471533654 /nfs/dbraw/zinc/53/36/54/471533654.db2.gz DYEKDRHCXSHAHO-HWKANZROSA-N 0 0 329.352 2.861 40 0 EFABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccc(F)cc1 ZINC000006219979 471534802 /nfs/dbraw/zinc/53/48/02/471534802.db2.gz DGJRSJPILICJGI-UHFFFAOYSA-N 0 0 347.342 2.811 40 0 EFABRN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1 ZINC000006256359 471536815 /nfs/dbraw/zinc/53/68/15/471536815.db2.gz ASUVVFJUPDGNAX-UHFFFAOYSA-N 0 0 348.424 2.634 40 0 EFABRN Oc1ccc(N2CCN(C(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000006331562 471540472 /nfs/dbraw/zinc/54/04/72/471540472.db2.gz QLSMPBFLJMAOTA-VBQJREDUSA-N 0 0 331.485 2.577 40 0 EFABRN O=C1C[C@H](c2ccccc2OCc2cccc(F)c2)n2ncnc2N1 ZINC000006343806 471541927 /nfs/dbraw/zinc/54/19/27/471541927.db2.gz FCEPJDHZRKMASF-OAHLLOKOSA-N 0 0 338.342 2.928 40 0 EFABRN COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C ZINC000006348541 471541944 /nfs/dbraw/zinc/54/19/44/471541944.db2.gz SEYOSEILGGTZPX-UHFFFAOYSA-N 0 0 349.408 2.656 40 0 EFABRN COc1cccc(NC(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc32)c1 ZINC000006370798 471541990 /nfs/dbraw/zinc/54/19/90/471541990.db2.gz PZQKGOCUTGHKHE-NSHDSACASA-N 0 0 339.351 2.756 40 0 EFABRN CCn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccco1 ZINC000006395757 471542837 /nfs/dbraw/zinc/54/28/37/471542837.db2.gz VREFHVOLIHOJKT-UHFFFAOYSA-N 0 0 329.385 2.684 40 0 EFABRN CCOCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000006439413 471545229 /nfs/dbraw/zinc/54/52/29/471545229.db2.gz OFTNSAYZPKRGSE-UHFFFAOYSA-N 0 0 342.395 2.960 40 0 EFABRN COc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1OC ZINC000006441739 471545301 /nfs/dbraw/zinc/54/53/01/471545301.db2.gz RHLQMDVBMGSIJO-UHFFFAOYSA-N 0 0 348.380 2.654 40 0 EFABRN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(C)=O ZINC000006510702 471548695 /nfs/dbraw/zinc/54/86/95/471548695.db2.gz CDAMWKPSNYPPNM-UHFFFAOYSA-N 0 0 334.397 2.763 40 0 EFABRN CCCCCNC(=O)CN(c1cccc2ccccc21)S(C)(=O)=O ZINC000006597065 471552051 /nfs/dbraw/zinc/55/20/51/471552051.db2.gz UOYYOZRMWDOMRK-UHFFFAOYSA-N 0 0 348.468 2.912 40 0 EFABRN CCCC1=Nc2ncnn2[C@@H](c2ccc(C#N)cc2)C1C(=O)OCC ZINC000006593502 471552388 /nfs/dbraw/zinc/55/23/88/471552388.db2.gz BRUWWRWKFCIDGS-INIZCTEOSA-N 0 0 337.383 2.782 40 0 EFABRN CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000006584065 471552717 /nfs/dbraw/zinc/55/27/17/471552717.db2.gz GIAOHZMTWPYIRD-KRWDZBQOSA-N 0 0 347.436 2.946 40 0 EFABRN COc1ccc(CC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000006608465 471553643 /nfs/dbraw/zinc/55/36/43/471553643.db2.gz MMLLDSJSCRBNJI-CPUCHLNUSA-N 0 0 333.428 2.864 40 0 EFABRN CCN(CC)C(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 ZINC000006629801 471554524 /nfs/dbraw/zinc/55/45/24/471554524.db2.gz BEMBKXGMUOSJHR-UHFFFAOYSA-N 0 0 334.445 2.545 40 0 EFABRN CCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(C(=O)OC)=C1C ZINC000006629490 471555133 /nfs/dbraw/zinc/55/51/33/471555133.db2.gz DZBGHKRCNGEPKZ-VBKFSLOCSA-N 0 0 328.412 2.835 40 0 EFABRN COc1ccccc1CNC(=O)COC(=O)/C=C/c1cccc(F)c1 ZINC000006642876 471555703 /nfs/dbraw/zinc/55/57/03/471555703.db2.gz YKAOUSJRMNVLAL-MDZDMXLPSA-N 0 0 343.354 2.707 40 0 EFABRN CCCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C ZINC000006647056 471556300 /nfs/dbraw/zinc/55/63/00/471556300.db2.gz CEPDOABRELMOHY-UVTDQMKNSA-N 0 0 345.395 2.874 40 0 EFABRN CCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000006651867 471556927 /nfs/dbraw/zinc/55/69/27/471556927.db2.gz MFPISIHAQGAWFA-UHFFFAOYSA-N 0 0 340.445 2.608 40 0 EFABRN CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C)c2)cc1 ZINC000006655192 471557601 /nfs/dbraw/zinc/55/76/01/471557601.db2.gz HDHZLTXJNZMJBU-UHFFFAOYSA-N 0 0 346.452 2.865 40 0 EFABRN CCN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2F)c1 ZINC000006680380 471559392 /nfs/dbraw/zinc/55/93/92/471559392.db2.gz RVVKKOLXIQVPTP-UHFFFAOYSA-N 0 0 342.417 2.780 40 0 EFABRN CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)cs1 ZINC000006680712 471559751 /nfs/dbraw/zinc/55/97/51/471559751.db2.gz LSEDYVNERDKKNG-GFCCVEGCSA-N 0 0 344.502 2.697 40 0 EFABRN CCNC(=O)c1cc(S(=O)(=O)N(C)c2cccc(C)c2)cs1 ZINC000006681239 471560229 /nfs/dbraw/zinc/56/02/29/471560229.db2.gz RPUUYTOCLSQZHH-UHFFFAOYSA-N 0 0 338.454 2.631 40 0 EFABRN O=C([O-])C1CC[NH+](Cc2c(-c3cccs3)nc3ncccn32)CC1 ZINC000006740883 471564046 /nfs/dbraw/zinc/56/40/46/471564046.db2.gz JFONUMSXWWPQKN-UHFFFAOYSA-N 0 0 342.424 2.754 40 0 EFABRN CCN(CC(=O)NCCC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006779366 471567885 /nfs/dbraw/zinc/56/78/85/471567885.db2.gz MNXYCKDLDCQSAP-UHFFFAOYSA-N 0 0 346.880 2.513 40 0 EFABRN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1 ZINC000006766287 471567993 /nfs/dbraw/zinc/56/79/93/471567993.db2.gz DZOQJFDEPXKGLH-UHFFFAOYSA-N 0 0 344.436 2.878 40 0 EFABRN COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1OC ZINC000006824274 471573419 /nfs/dbraw/zinc/57/34/19/471573419.db2.gz DITJILLRWIDJEM-GFCCVEGCSA-N 0 0 328.368 2.520 40 0 EFABRN CCCNC(=O)CSc1nnc(-c2ccncc2)n1CC(C)C ZINC000006879728 471575008 /nfs/dbraw/zinc/57/50/08/471575008.db2.gz XSMUQTWMJNBSST-UHFFFAOYSA-N 0 0 333.461 2.614 40 0 EFABRN O=C(COCc1cc(-c2ccco2)on1)NCc1ccc(F)cc1 ZINC000006876645 471575298 /nfs/dbraw/zinc/57/52/98/471575298.db2.gz POQJQVOFNQZEIV-UHFFFAOYSA-N 0 0 330.315 2.907 40 0 EFABRN COCCCNC(=O)COc1ccc(C2SCCS2)cc1 ZINC000006881164 471576561 /nfs/dbraw/zinc/57/65/61/471576561.db2.gz RBCABQKSWBPBJD-UHFFFAOYSA-N 0 0 327.471 2.697 40 0 EFABRN CCC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000006946293 471580089 /nfs/dbraw/zinc/58/00/89/471580089.db2.gz IJLIQJVCGKQTLL-LBPRGKRZSA-N 0 0 346.880 2.719 40 0 EFABRN CCN(CC)C(=O)CN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O ZINC000006948407 471580162 /nfs/dbraw/zinc/58/01/62/471580162.db2.gz LVZDVDUMAHWPRL-ZROIWOOFSA-N 0 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331.368 2.521 40 0 EFABRN OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223563089 474186468 /nfs/dbraw/zinc/18/64/68/474186468.db2.gz SNAYDSGEWCIPCC-CHWSQXEVSA-N 0 0 339.873 2.761 40 0 EFABRN Cc1nn[nH]c1C(=O)N[C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000188761861 474186624 /nfs/dbraw/zinc/18/66/24/474186624.db2.gz SXQWCLSKNSVMEY-QGZVFWFLSA-N 0 0 346.394 2.519 40 0 EFABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1Cc1ccccn1 ZINC000223522799 474186767 /nfs/dbraw/zinc/18/67/67/474186767.db2.gz QHQOWWFHICPCGP-IRXDYDNUSA-N 0 0 335.436 2.977 40 0 EFABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 ZINC000223605981 474186838 /nfs/dbraw/zinc/18/68/38/474186838.db2.gz DHBULMUKRDQPPF-IRXDYDNUSA-N 0 0 344.484 2.819 40 0 EFABRN CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 ZINC000223605838 474186906 /nfs/dbraw/zinc/18/69/06/474186906.db2.gz DHBULMUKRDQPPF-IAGOWNOFSA-N 0 0 344.484 2.819 40 0 EFABRN CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO ZINC000223623870 474188709 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/nfs/dbraw/zinc/74/14/58/474741458.db2.gz YWESEHKNOMJHTG-DLBZAZTESA-N 0 0 329.469 2.882 40 0 EFABRN Cc1c(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cnn1C ZINC000253415670 474742904 /nfs/dbraw/zinc/74/29/04/474742904.db2.gz ZQFRXSDEQIRQDV-ZWKOTPCHSA-N 0 0 342.443 2.526 40 0 EFABRN CSc1cccc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1C ZINC000253417943 474744114 /nfs/dbraw/zinc/74/41/14/474744114.db2.gz PEMLDTJELIYURC-CJNGLKHVSA-N 0 0 349.500 2.901 40 0 EFABRN Fc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)ncn2)c1 ZINC000253417824 474744360 /nfs/dbraw/zinc/74/43/60/474744360.db2.gz JAVFFCQSJABGBF-MRXNPFEDSA-N 0 0 328.391 2.794 40 0 EFABRN CC[C@H]1Oc2cc([C@@H](C)NCc3nnc(C)s3)ccc2NC1=O ZINC000253417716 474744629 /nfs/dbraw/zinc/74/46/29/474744629.db2.gz ALQBMHDFMNTWEI-NOZJJQNGSA-N 0 0 332.429 2.807 40 0 EFABRN Nc1ncnc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1Cl ZINC000253418081 474745410 /nfs/dbraw/zinc/74/54/10/474745410.db2.gz JKSOKASOTXWLDR-OLZOCXBDSA-N 0 0 336.798 2.944 40 0 EFABRN COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1nnc2n1CCOC2 ZINC000253417440 474745442 /nfs/dbraw/zinc/74/54/42/474745442.db2.gz OEEBTQPBLFASNZ-GOEBONIOSA-N 0 0 342.443 2.790 40 0 EFABRN CS(=O)(=O)CC(=O)N[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253419912 474746787 /nfs/dbraw/zinc/74/67/87/474746787.db2.gz LOOCGQFYNQWSPS-STQMWFEESA-N 0 0 349.374 2.502 40 0 EFABRN CCc1nccn1[C@H]1CCCN(C(=O)NCCc2cccc(C)n2)C1 ZINC000253419907 474747232 /nfs/dbraw/zinc/74/72/32/474747232.db2.gz DICHZVCPRUJTCF-KRWDZBQOSA-N 0 0 341.459 2.738 40 0 EFABRN Cc1ccc(F)c(N2CCC[C@H](NC(=O)C3CCC(O)CC3)C2)c1 ZINC000253420962 474748609 /nfs/dbraw/zinc/74/86/09/474748609.db2.gz NXHHLWHARANWJW-PCKAHOCUSA-N 0 0 334.435 2.770 40 0 EFABRN Cn1nncc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000253424832 474748722 /nfs/dbraw/zinc/74/87/22/474748722.db2.gz KZWMKVXAKHEYES-OAHLLOKOSA-N 0 0 336.399 2.573 40 0 EFABRN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000253425154 474748875 /nfs/dbraw/zinc/74/88/75/474748875.db2.gz BAOTZQKQYPNHLC-UPCLLVRISA-N 0 0 346.456 2.917 40 0 EFABRN Cc1ccc(F)cc1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000253426303 474751020 /nfs/dbraw/zinc/75/10/20/474751020.db2.gz SNWILUZRBZAYBL-CYBMUJFWSA-N 0 0 336.432 2.975 40 0 EFABRN Cc1cc([C@@H]2CCCN2S(=O)(=O)N(C)C)ccc1Br ZINC000253429808 474754871 /nfs/dbraw/zinc/75/48/71/474754871.db2.gz DIFMVSGJXLIHEB-ZDUSSCGKSA-N 0 0 347.278 2.701 40 0 EFABRN COCCn1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccc(OC)cc2)n1 ZINC000253429752 474754073 /nfs/dbraw/zinc/75/40/73/474754073.db2.gz UNZOWDIIIMUMHI-KBXCAEBGSA-N 0 0 343.427 2.761 40 0 EFABRN Cn1cncc1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000253430204 474754362 /nfs/dbraw/zinc/75/43/62/474754362.db2.gz KCBUBABMINCQHW-INIZCTEOSA-N 0 0 333.819 2.686 40 0 EFABRN O=C(Nc1ccc(Oc2ncccn2)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000253429794 474754403 /nfs/dbraw/zinc/75/44/03/474754403.db2.gz GJWSYMWCZUQMIM-GASCZTMLSA-N 0 0 326.356 2.664 40 0 EFABRN CCn1cc(CN2CCCN(c3nc(CC(C)C)ns3)CC2)cn1 ZINC000253429359 474754523 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2.652 40 0 EFABRN Clc1ccccc1CN1CCN(c2nccn3ccnc23)CC1 ZINC000306123525 474805619 /nfs/dbraw/zinc/80/56/19/474805619.db2.gz APJIOTONGJQCTK-UHFFFAOYSA-N 0 0 327.819 2.705 40 0 EFABRN O=C(C1=CCCCC1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000306130146 474806712 /nfs/dbraw/zinc/80/67/12/474806712.db2.gz IXMQFZMGYBIAES-GOSISDBHSA-N 0 0 342.439 2.716 40 0 EFABRN Cc1ccc(-c2cnc3n2C[C@]2(CCN(C(=O)C4CC4)C2)OC3)cc1 ZINC000306127972 474808185 /nfs/dbraw/zinc/80/81/85/474808185.db2.gz GMNMSMUIYVQSAI-HXUWFJFHSA-N 0 0 337.423 2.770 40 0 EFABRN O=C(c1ccco1)N1CC[C@]2(CCn3c(-c4cccnc4)cnc32)C1 ZINC000306130691 474809385 /nfs/dbraw/zinc/80/93/85/474809385.db2.gz JNBFEFKXBHRYOR-IBGZPJMESA-N 0 0 334.379 2.726 40 0 EFABRN CCn1cc(CN2Cc3cccn3C[C@H](Oc3ccccn3)C2)cn1 ZINC000306131138 474810214 /nfs/dbraw/zinc/81/02/14/474810214.db2.gz JXRQIWUSPCARBD-GOSISDBHSA-N 0 0 337.427 2.563 40 0 EFABRN O=C(c1ccsc1)N1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000306140350 474811211 /nfs/dbraw/zinc/81/12/11/474811211.db2.gz 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CO[C@@H]1CCCOC12CCN(C(=O)CCc1cccc(F)c1)CC2 ZINC000257277221 474927223 /nfs/dbraw/zinc/92/72/23/474927223.db2.gz NWXUJXBXJXRCLG-QGZVFWFLSA-N 0 0 335.419 2.945 40 0 EFABRN Cc1noc2nc(C)cc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)c12 ZINC000257230276 474928057 /nfs/dbraw/zinc/92/80/57/474928057.db2.gz GBNNRMKVRVMGJQ-AWEZNQCLSA-N 0 0 325.372 2.930 40 0 EFABRN Cc1cncc(C2CCN(C(=O)CCn3ncc4ccccc43)CC2)n1 ZINC000257278525 474928062 /nfs/dbraw/zinc/92/80/62/474928062.db2.gz OCOZDVQDYSGRGH-UHFFFAOYSA-N 0 0 349.438 2.931 40 0 EFABRN COc1ccc([C@H]2CN(C(C)=O)CCN2Cc2ccc(C)nc2)cc1 ZINC000257245549 474928140 /nfs/dbraw/zinc/92/81/40/474928140.db2.gz IQBNFDOJIRKBNI-HXUWFJFHSA-N 0 0 339.439 2.804 40 0 EFABRN O=C(COc1ccc(F)cc1)NCc1cnc([C@@H]2CCCCO2)nc1 ZINC000257279798 474929029 /nfs/dbraw/zinc/92/90/29/474929029.db2.gz OIFFDKPHLSNDPD-INIZCTEOSA-N 0 0 345.374 2.553 40 0 EFABRN Cc1ccnc([C@@H]2CCN(C(=O)C3(c4ccccc4F)CC3)C2)n1 ZINC000257283055 474929692 /nfs/dbraw/zinc/92/96/92/474929692.db2.gz OWPMCXXHHAINHF-CQSZACIVSA-N 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2.593 40 0 EFABRN O=C(c1ccsc1)N1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000585107212 479286458 /nfs/dbraw/zinc/28/64/58/479286458.db2.gz AMHBHJTTXICCKI-QAPCUYQASA-N 0 0 348.468 2.935 40 0 EFABRN Cc1noc(C)c1C(=O)N1C[C@H]2Cc3nc(C(C)C)ncc3[C@H]2C1 ZINC000585110022 479287006 /nfs/dbraw/zinc/28/70/06/479287006.db2.gz VVQJCKDDTGRSTG-OCCSQVGLSA-N 0 0 326.400 2.617 40 0 EFABRN COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1C[C@@H]1C)CC2 ZINC000585111198 479287201 /nfs/dbraw/zinc/28/72/01/479287201.db2.gz ISHHBEYVDBUAOP-WMLDXEAASA-N 0 0 339.439 2.737 40 0 EFABRN Cc1ncsc1CN1Cc2ccnn2[C@@H](COc2ccccn2)C1 ZINC000585112433 479288524 /nfs/dbraw/zinc/28/85/24/479288524.db2.gz PUTHNMBJIPAIGZ-OAHLLOKOSA-N 0 0 341.440 2.679 40 0 EFABRN CO[C@@H]1CCN(C(=O)Cc2ccc(F)cn2)C[C@H]1Cc1ccccc1 ZINC000585113473 479288940 /nfs/dbraw/zinc/28/89/40/479288940.db2.gz OAFWDCNGXYFGDX-VQIMIIECSA-N 0 0 342.414 2.869 40 0 EFABRN CC1CC(N(C)C(=O)c2nc3c(o2)CCN(Cc2cncs2)C3)C1 ZINC000585111998 479289328 /nfs/dbraw/zinc/28/93/28/479289328.db2.gz KBPIPQIUHPUHOH-UHFFFAOYSA-N 0 0 346.456 2.560 40 0 EFABRN Cc1cccc(NC(=O)NCc2cccc(C3(C)OCCO3)c2)n1 ZINC000585140040 479297426 /nfs/dbraw/zinc/29/74/26/479297426.db2.gz GXBUZHDNCFSAPU-UHFFFAOYSA-N 0 0 327.384 2.931 40 0 EFABRN Cc1ccc2sc(CNC(=O)[C@@H](C)OC[C@H]3CCCO3)nc2c1 ZINC000585140569 479297673 /nfs/dbraw/zinc/29/76/73/479297673.db2.gz HFVNEAPMOPKXRS-CHWSQXEVSA-N 0 0 334.441 2.805 40 0 EFABRN C[C@H](NC(=O)Cc1c(F)cccc1F)c1nc(C(F)(F)F)no1 ZINC000585140885 479299216 /nfs/dbraw/zinc/29/92/16/479299216.db2.gz KZNZQRXMSQYCQF-LURJTMIESA-N 0 0 335.232 2.787 40 0 EFABRN NS(=O)(=O)c1ccc(CNc2ccccc2N2CCCCCC2)o1 ZINC000585140837 479299392 /nfs/dbraw/zinc/29/93/92/479299392.db2.gz JXSZUDBTYZSBFW-UHFFFAOYSA-N 0 0 349.456 2.920 40 0 EFABRN Cc1cccc(CS(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1 ZINC000585142037 479299708 /nfs/dbraw/zinc/29/97/08/479299708.db2.gz NBSPZFAQIVRXAS-VIFPVBQESA-N 0 0 349.334 2.577 40 0 EFABRN Cc1noc([C@@H]2C[C@@H](F)CN2C(=O)c2ccc(Br)o2)n1 ZINC000585146129 479299826 /nfs/dbraw/zinc/29/98/26/479299826.db2.gz LLCAQCYXYYPKBJ-SFYZADRCSA-N 0 0 344.140 2.659 40 0 EFABRN O=C(NCCCCOc1ccc(F)cc1)c1nnc(C(F)(F)F)o1 ZINC000585141727 479299876 /nfs/dbraw/zinc/29/98/76/479299876.db2.gz ZKAIJJJTYWQMTF-UHFFFAOYSA-N 0 0 347.268 2.817 40 0 EFABRN CC(C)(CO)[C@H](NC(=O)Nc1ccc(C2CC2)nn1)c1ccccc1 ZINC000585141825 479300011 /nfs/dbraw/zinc/30/00/11/479300011.db2.gz YZNAGSBEDCIYBY-QGZVFWFLSA-N 0 0 340.427 3.235 40 0 EFABRN Cc1occc1C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC000585141767 479300089 /nfs/dbraw/zinc/30/00/89/479300089.db2.gz XTFGGRZGCLKDOW-XMMPIXPASA-N 0 0 349.412 2.555 40 0 EFABRN CON([C@H](C)c1ccccc1C)S(=O)(=O)c1ccc(N(C)C)nc1 ZINC000585142409 479300100 /nfs/dbraw/zinc/30/01/00/479300100.db2.gz WPJAXRDJKFNZJZ-CQSZACIVSA-N 0 0 349.456 2.769 40 0 EFABRN O=C(c1ccccc1Br)N1CC(n2cc(C3CC3)nn2)C1 ZINC000585149183 479300625 /nfs/dbraw/zinc/30/06/25/479300625.db2.gz QNWHXSVOOISNOX-UHFFFAOYSA-N 0 0 347.216 2.615 40 0 EFABRN CN(C)c1ncc2c(n1)CC[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC000585150320 479300732 /nfs/dbraw/zinc/30/07/32/479300732.db2.gz NCOIOSXAGQAYPB-JTQLQIEISA-N 0 0 336.848 2.545 40 0 EFABRN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC[C@H]1CCc1ccncc1 ZINC000585181345 479301763 /nfs/dbraw/zinc/30/17/63/479301763.db2.gz VFLUSNKZAXNLKX-HNNXBMFYSA-N 0 0 348.406 2.968 40 0 EFABRN CO[C@H]1CCCN(C(=O)c2cc(C)no2)[C@H]1Cc1ccc(F)cc1 ZINC000585269444 479303204 /nfs/dbraw/zinc/30/32/04/479303204.db2.gz UWHONVYPEMSFHW-HOTGVXAUSA-N 0 0 332.375 2.984 40 0 EFABRN Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000585182536 479304154 /nfs/dbraw/zinc/30/41/54/479304154.db2.gz GQPOXFNGGNRTJP-OAHLLOKOSA-N 0 0 339.443 2.692 40 0 EFABRN COc1cccc(C(=O)N2CC[C@](O)(COc3cccc(C)c3)C2)c1 ZINC000585273583 479304436 /nfs/dbraw/zinc/30/44/36/479304436.db2.gz WWKLMUWPWBUZOL-HXUWFJFHSA-N 0 0 341.407 2.660 40 0 EFABRN CO[C@@]1(COc2ccccc2C)CCCN(C(=O)c2cnoc2)C1 ZINC000585274303 479304474 /nfs/dbraw/zinc/30/44/74/479304474.db2.gz IMFANMUVTRJAME-SFHVURJKSA-N 0 0 330.384 2.683 40 0 EFABRN O=C(Cc1ccncc1)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585275797 479304556 /nfs/dbraw/zinc/30/45/56/479304556.db2.gz FNOIJWNYDSQFFQ-SJLPKXTDSA-N 0 0 344.842 2.730 40 0 EFABRN COc1cccc(C(=O)N2CC[C@](O)(COc3ccccc3C)C2)c1 ZINC000585275859 479305238 /nfs/dbraw/zinc/30/52/38/479305238.db2.gz HRRJPNAHOVDINW-HXUWFJFHSA-N 0 0 341.407 2.660 40 0 EFABRN CO[C@]1(COc2ccccc2C)CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000585275324 479305352 /nfs/dbraw/zinc/30/53/52/479305352.db2.gz AMZPZMGQJWCZEY-LJQANCHMSA-N 0 0 343.427 2.727 40 0 EFABRN COc1ccccc1C(=O)N1CC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585273472 479305359 /nfs/dbraw/zinc/30/53/59/479305359.db2.gz VVJKHJLOFSYHBO-FQEVSTJZSA-N 0 0 341.407 2.660 40 0 EFABRN CO[C@]1(COc2ccccc2)CCN(C(=O)c2ccncc2C)C1 ZINC000585277199 479305822 /nfs/dbraw/zinc/30/58/22/479305822.db2.gz NDCQIKTVRZZPAI-LJQANCHMSA-N 0 0 326.396 2.700 40 0 EFABRN O=C(c1ccc(F)c(F)c1)N1CC[C@](O)(COc2ccccc2)C1 ZINC000585277496 479305935 /nfs/dbraw/zinc/30/59/35/479305935.db2.gz VWKKHLMOSGYIPE-GOSISDBHSA-N 0 0 333.334 2.621 40 0 EFABRN CO[C@H]1CCCN(C(=O)CCn2ccnc2)[C@H]1Cc1ccccc1F ZINC000585277195 479306161 /nfs/dbraw/zinc/30/61/61/479306161.db2.gz NCQQXWLDAZZORY-ROUUACIJSA-N 0 0 345.418 2.661 40 0 EFABRN CCCc1ncc(CN2CCC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585276586 479306380 /nfs/dbraw/zinc/30/63/80/479306380.db2.gz NNCBAQLVRCRBKZ-FQEVSTJZSA-N 0 0 341.455 2.835 40 0 EFABRN CO[C@@]1(COc2ccccc2C)CCN(C(=O)Cc2ccncc2)C1 ZINC000585278408 479306638 /nfs/dbraw/zinc/30/66/38/479306638.db2.gz SGDZBWCAKSMSEX-FQEVSTJZSA-N 0 0 340.423 2.629 40 0 EFABRN Cc1cnccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585279281 479306668 /nfs/dbraw/zinc/30/66/68/479306668.db2.gz YVWHPTABLILHPA-ROUUACIJSA-N 0 0 328.387 2.737 40 0 EFABRN CO[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585278278 479307170 /nfs/dbraw/zinc/30/71/70/479307170.db2.gz BFFHFLBQAHVLAP-SJLPKXTDSA-N 0 0 327.428 2.746 40 0 EFABRN CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cc2ccncc2)C1 ZINC000585279248 479307177 /nfs/dbraw/zinc/30/71/77/479307177.db2.gz YHRLSOOTRTZJMU-HXUWFJFHSA-N 0 0 340.423 2.629 40 0 EFABRN CO[C@H]1CN(C(=O)Cc2ccncc2)CC[C@@H]1Cc1ccccc1F ZINC000585279306 479307254 /nfs/dbraw/zinc/30/72/54/479307254.db2.gz JXHLZCQJXYTDHL-MJGOQNOKSA-N 0 0 342.414 2.869 40 0 EFABRN CO[C@]1(COc2cccc(C)c2)CCN(C(=O)c2cc(C)on2)C1 ZINC000585278635 479307324 /nfs/dbraw/zinc/30/73/24/479307324.db2.gz UTYCAZBBKITXKP-GOSISDBHSA-N 0 0 330.384 2.602 40 0 EFABRN CO[C@@H]1CN(C(=O)c2coc(C)n2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585278285 479307365 /nfs/dbraw/zinc/30/73/65/479307365.db2.gz BIRMPTFVFMVLQR-RHSMWYFYSA-N 0 0 332.375 2.842 40 0 EFABRN CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cc2cc(C)no2)C1 ZINC000585278498 479307510 /nfs/dbraw/zinc/30/75/10/479307510.db2.gz SXJILGYDONLQBM-LJQANCHMSA-N 0 0 344.411 2.530 40 0 EFABRN Cc1cnccc1C(=O)N1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 ZINC000585278577 479307629 /nfs/dbraw/zinc/30/76/29/479307629.db2.gz 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ZINC000585284367 479308527 /nfs/dbraw/zinc/30/85/27/479308527.db2.gz HNUMRURDOXCJKJ-ZTFGCOKTSA-N 0 0 328.412 2.580 40 0 EFABRN O=C(CC[C@H]1CCCO1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585284510 479308553 /nfs/dbraw/zinc/30/85/53/479308553.db2.gz JCUVVVWYZMSCFB-QQTQMKHKSA-N 0 0 347.455 2.670 40 0 EFABRN O=C(NC[C@H]1CC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O)c1ccncc1 ZINC000585285184 479308587 /nfs/dbraw/zinc/30/85/87/479308587.db2.gz NAVTZFWSECTFIP-KBRIMQKVSA-N 0 0 346.814 2.683 40 0 EFABRN O=C([O-])c1ccccc1C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585279872 479308669 /nfs/dbraw/zinc/30/86/69/479308669.db2.gz RSXZJRVOSRSFPO-VQIMIIECSA-N 0 0 325.408 2.810 40 0 EFABRN Cc1cc(C(=O)NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)c(C)o1 ZINC000585285701 479309258 /nfs/dbraw/zinc/30/92/58/479309258.db2.gz RBAJETFWQGHEHT-FSPWUOQZSA-N 0 0 347.386 2.984 40 0 EFABRN CO[C@H]1CCCN(C(=O)C=Cc2c[nH]cn2)[C@H]1Cc1ccccc1 ZINC000585288483 479309731 /nfs/dbraw/zinc/30/97/31/479309731.db2.gz BNJJMPJBNWHGTO-VCVRMXLYSA-N 0 0 325.412 2.672 40 0 EFABRN C=CC(=O)N1CCC[C@@H](Cc2cc(Nc3cccc(C)n3)ncn2)C1 ZINC000585292841 479310336 /nfs/dbraw/zinc/31/03/36/479310336.db2.gz SSNFQHVXARYGLD-HNNXBMFYSA-N 0 0 337.427 2.891 40 0 EFABRN Cc1nnsc1CN(C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585289735 479310828 /nfs/dbraw/zinc/31/08/28/479310828.db2.gz WJTCCTAXPROULX-YXJHDRRASA-N 0 0 347.484 2.948 40 0 EFABRN C=CC(=O)N1CCC[C@@H](Cc2cc(Nc3ncc(C)s3)ncn2)C1 ZINC000585292820 479311162 /nfs/dbraw/zinc/31/11/62/479311162.db2.gz SOGOHYUQPMGYMF-ZDUSSCGKSA-N 0 0 343.456 2.952 40 0 EFABRN CO[C@H]1CCCN(C(=O)/C=C/c2ccnn2C)[C@H]1Cc1ccccc1 ZINC000585289726 479311194 /nfs/dbraw/zinc/31/11/94/479311194.db2.gz MKYDCMSTNOVUMD-MIMFYIINSA-N 0 0 339.439 2.682 40 0 EFABRN CCCCC(=O)N1CC2(C1)C[C@@H](OCc1cnccc1C)CCO2 ZINC000575403265 479437425 /nfs/dbraw/zinc/43/74/25/479437425.db2.gz HLXCOGBOHKRFKW-KRWDZBQOSA-N 0 0 332.444 2.857 40 0 EFABRN Cc1ccoc1C(=O)N1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000575403013 479437509 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CC(C)c1ncc(Br)c(C(=O)NCC[C@@H]2CCOC2)n1 ZINC000935358704 717377678 /nfs/dbraw/zinc/37/76/78/717377678.db2.gz MBOHEOGBDLVHSC-SNVBAGLBSA-N 0 0 342.237 2.519 40 0 EFABRN COCc1nccc(N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)n1 ZINC000892460898 717651113 /nfs/dbraw/zinc/65/11/13/717651113.db2.gz WPLVNIDYORMULF-CQSZACIVSA-N 0 0 346.818 2.518 40 0 EFABRN O=C(NCc1cccc2c1OCCO2)N[C@@H](c1cccnc1)C1CC1 ZINC000893886760 720142412 /nfs/dbraw/zinc/14/24/12/720142412.db2.gz VXINISBNQHQBMS-QGZVFWFLSA-N 0 0 339.395 2.803 40 0 EFABRN c1csc(-c2nccc(N3CC(c4ncc(C5CC5)cn4)C3)n2)n1 ZINC000894903173 723020086 /nfs/dbraw/zinc/02/00/86/723020086.db2.gz RMAHWHOZKXHOJI-UHFFFAOYSA-N 0 0 336.424 2.871 40 0 EFABRN O=C(NCc1ccc2ccc(Br)cc2c1)N1CC[C@H]1CO ZINC000896424070 723296104 /nfs/dbraw/zinc/29/61/04/723296104.db2.gz XJFJGTYZJLTADO-HNNXBMFYSA-N 0 0 349.228 2.879 40 0 EFABRN Cn1ncc2c1ncnc2N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000896649174 723418858 /nfs/dbraw/zinc/41/88/58/723418858.db2.gz AZIMBNPEURGPLO-LBPRGKRZSA-N 0 0 337.305 2.528 40 0 EFABRN Cc1nnc([C@@H]2OCC[C@@H]2CNc2cnc3cc(Cl)ccc3n2)[nH]1 ZINC000895296690 724006173 /nfs/dbraw/zinc/00/61/73/724006173.db2.gz CCZBFRXSKLZUMO-MEBBXXQBSA-N 0 0 344.806 2.899 40 0 EFABRN Cc1cc(C)nc(N2CCC[C@@H]2c2ncc(Br)cn2)n1 ZINC000895713217 724273060 /nfs/dbraw/zinc/27/30/60/724273060.db2.gz KCHXGUVPFBEIRS-GFCCVEGCSA-N 0 0 334.221 2.987 40 0 EFABRN COc1cccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1OC ZINC000907062387 726857256 /nfs/dbraw/zinc/85/72/56/726857256.db2.gz DAZOVWQZDMHMBE-SNVBAGLBSA-N 0 0 335.372 2.560 40 0 EFABRN