smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c1ncc(C(=O)c1ccccc1)c2Nc1ccccc1C ZINC000000575244 210224172 /nfs/dbraw/zinc/22/41/72/210224172.db2.gz QGFLHWNLAOUSPQ-UHFFFAOYSA-N 0 0 368.436 5.526 1 0 FKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC)cc1C ZINC000000575249 210250277 /nfs/dbraw/zinc/25/02/77/210250277.db2.gz NWOLVHXXURPPRN-UHFFFAOYSA-N 0 0 364.445 5.287 1 0 FKAFRN CC(=O)Nc1ccc(Cl)c(COc2cccc3cnccc32)c1Cl ZINC000000579981 219304437 /nfs/dbraw/zinc/30/44/37/219304437.db2.gz YXVRCTRMIKAODR-UHFFFAOYSA-N 0 0 361.228 5.079 1 0 investigational FKAFRN Cc1cc(F)ccc1Nc1nc2ccsc2c(N(C)c2ccccc2)n1 ZINC000000584758 206815250 /nfs/dbraw/zinc/81/52/50/206815250.db2.gz FTZCQVACADOUBP-UHFFFAOYSA-N 0 0 364.449 5.650 1 0 FKAFRN Cc1cc(F)ccc1Nc1nc2sccc2c(N(C)c2ccccc2)n1 ZINC000000584761 210250320 /nfs/dbraw/zinc/25/03/20/210250320.db2.gz IJWMABWJZIUTFU-UHFFFAOYSA-N 0 0 364.449 5.650 1 0 FKAFRN Cc1ccccc1Nc1nc2c(O)cccc2c(N(C)c2ccccc2)n1 ZINC000000584792 219305207 /nfs/dbraw/zinc/30/52/07/219305207.db2.gz ZIIVYURONGRZQL-UHFFFAOYSA-N 0 0 356.429 5.155 1 0 FKAFRN Cc1ccccc1Nc1nc2ccc(O)cc2c(N(C)c2ccccc2)n1 ZINC000000584804 219304877 /nfs/dbraw/zinc/30/48/77/219304877.db2.gz FPCVQBPBPHHUEX-UHFFFAOYSA-N 0 0 356.429 5.155 1 0 FKAFRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2F)cc1 ZINC000000585707 210250141 /nfs/dbraw/zinc/25/01/41/210250141.db2.gz IVBPBKLZQGEAEA-UHFFFAOYSA-N 0 0 366.440 5.261 1 0 FKAFRN Cc1ccc(Cl)c(Nc2ccccc2C2N=NC(=S)N2)c1Cl ZINC000000586274 219304633 /nfs/dbraw/zinc/30/46/33/219304633.db2.gz VNPWBZVNLSOFJE-UHFFFAOYSA-N 0 0 351.262 5.119 1 0 FKAFRN CC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2F)c1C ZINC000000590048 219305347 /nfs/dbraw/zinc/30/53/47/219305347.db2.gz IYXFYVXZASNRPP-CQSZACIVSA-N 0 0 350.437 5.220 1 0 FKAFRN CC(C)N(Cc1ccoc1)C(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000000594578 210250018 /nfs/dbraw/zinc/25/00/18/210250018.db2.gz SKDKGGFADLBAGY-UHFFFAOYSA-N 0 0 372.468 5.408 1 0 FKAFRN CCc1cc(CCc2nc3c(o2)c(Cl)ccc3Cl)c(=S)[nH]c1C ZINC000000598514 210250183 /nfs/dbraw/zinc/25/01/83/210250183.db2.gz RGHSEODWAAUYRU-UHFFFAOYSA-N 0 0 367.301 5.848 1 0 FKAFRN CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1 ZINC000000600953 210249242 /nfs/dbraw/zinc/24/92/42/210249242.db2.gz HDUQKBUHXYJBEX-UHFFFAOYSA-N 0 0 362.429 5.932 1 0 FKAFRN Cc1c(C(=O)N(C)Cc2ccccc2)nc2ccccc2c1-c1ccccc1 ZINC000000602958 219304527 /nfs/dbraw/zinc/30/45/27/219304527.db2.gz LMAZVQQMVXMTEY-UHFFFAOYSA-N 0 0 366.464 5.482 1 0 FKAFRN CCCC(=O)c1cnc2c(cccc2[C@@H](C)O)c1Nc1ccc(O)cc1C ZINC000000603457 219304805 /nfs/dbraw/zinc/30/48/05/219304805.db2.gz KKROLBPZTBQBCJ-CQSZACIVSA-N 0 0 364.445 5.029 1 0 FKAFRN Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C ZINC000000603772 219304776 /nfs/dbraw/zinc/30/47/76/219304776.db2.gz YDEDKRCWCCZXBE-UHFFFAOYSA-N 0 0 373.243 5.072 1 0 FKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1=CCCc2ccccc21 ZINC000000603979 210251618 /nfs/dbraw/zinc/25/16/18/210251618.db2.gz YAXADFFGIIXIBE-UHFFFAOYSA-N 0 0 362.517 6.085 1 0 FKAFRN O=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1cccc(Cl)c1 ZINC000000664955 210259081 /nfs/dbraw/zinc/25/90/81/210259081.db2.gz YSHJTCFCQHGIAC-UHFFFAOYSA-N 0 0 359.816 5.203 1 0 FKAFRN Clc1ccc2nc(Nc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1 ZINC000000753988 219318559 /nfs/dbraw/zinc/31/85/59/219318559.db2.gz KSAKHNJGVTXGMA-UHFFFAOYSA-N 0 0 371.831 5.570 1 0 FKAFRN FC(F)(F)COc1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000001035828 219355793 /nfs/dbraw/zinc/35/57/93/219355793.db2.gz QHPWVZLAQCNPNI-UHFFFAOYSA-N 0 0 370.783 5.467 1 0 FKAFRN O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 ZINC000001485613 204009865 /nfs/dbraw/zinc/00/98/65/204009865.db2.gz KRCWRSQNQWOWBX-UHFFFAOYSA-N 0 0 364.448 5.364 1 0 FKAFRN CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccsc3)cc21 ZINC000001489785 210356697 /nfs/dbraw/zinc/35/66/97/210356697.db2.gz NCYHNJRGMFRYAC-UHFFFAOYSA-N 0 0 351.397 5.588 1 0 FKAFRN Cc1[nH]c(=S)n(Nc2cccc(Cl)c2)c1-c1cccc(Cl)c1 ZINC000001491560 210356844 /nfs/dbraw/zinc/35/68/44/210356844.db2.gz JDPZIBBRJGFXQO-UHFFFAOYSA-N 0 0 350.274 5.703 1 0 FKAFRN Cc1ncn(Nc2cccc(Cl)c2)c1-c1cccc(Br)c1 ZINC000001491562 204010311 /nfs/dbraw/zinc/01/03/11/204010311.db2.gz RPLVPONIOXJRJW-UHFFFAOYSA-N 0 0 362.658 5.150 1 0 FKAFRN COc1cc2[nH]c(-c3csc4ccccc34)c(C=O)c2cc1-c1cnco1 ZINC000001492372 210355703 /nfs/dbraw/zinc/35/57/03/210355703.db2.gz NSAYRHJLZNHLSQ-UHFFFAOYSA-N 0 0 374.421 5.526 1 0 FKAFRN O=Cc1c(-c2cc(Cl)sc2Cl)nc2sc3ccccc3n12 ZINC000001527977 204012175 /nfs/dbraw/zinc/01/21/75/204012175.db2.gz BXJRMUVAUKSPHS-UHFFFAOYSA-N 0 0 353.255 5.397 1 0 FKAFRN CC(C)c1ccc2oc(N[C@H](CC3CCCCC3)c3ccccc3)nc2c1 ZINC000001535745 204011664 /nfs/dbraw/zinc/01/16/64/204011664.db2.gz LSJCKUNUTBUTBX-OAQYLSRUSA-N 0 0 362.517 7.075 1 0 FKAFRN CCCc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1 ZINC000001543680 204012513 /nfs/dbraw/zinc/01/25/13/204012513.db2.gz FYQFOGYGYVFCMX-UHFFFAOYSA-N 0 0 355.522 6.627 1 0 FKAFRN CCOc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1 ZINC000001543681 219409887 /nfs/dbraw/zinc/40/98/87/219409887.db2.gz PJAWVEOFVIREOA-UHFFFAOYSA-N 0 0 357.494 6.074 1 0 FKAFRN CCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000001544679 210359225 /nfs/dbraw/zinc/35/92/25/210359225.db2.gz XYNOMYGVSOXKJX-UHFFFAOYSA-N 0 0 350.553 5.618 1 0 FKAFRN COc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCCCC3)cc1 ZINC000001548761 206887617 /nfs/dbraw/zinc/88/76/17/206887617.db2.gz VAQBLDJCKUZCTF-UHFFFAOYSA-N 0 0 352.865 5.470 1 0 FKAFRN CCOC(=O)/C=C(C)/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CCS2 ZINC000001550916 204011804 /nfs/dbraw/zinc/01/18/04/204011804.db2.gz WKVFYYUDAKPCPT-OOUGZNGESA-N 0 0 356.531 5.929 1 0 FKAFRN CC(=O)Oc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccccc1 ZINC000001551685 210359834 /nfs/dbraw/zinc/35/98/34/210359834.db2.gz SKOZBBRNMHJIAB-UHFFFAOYSA-N 0 0 371.461 6.069 1 0 FKAFRN Oc1cc2c(cc1CCCOc1ccccc1)O[C@@H](CCc1ccccc1)C2 ZINC000001555089 203917826 /nfs/dbraw/zinc/91/78/26/203917826.db2.gz WPWMIRXEAPDWIV-QHCPKHFHSA-N 0 0 374.480 5.340 1 0 FKAFRN FC(F)(F)C1(Cl)[C@@](Cl)(c2ccccc2)[C@]1(Cl)c1ccccc1 ZINC000001613108 206890051 /nfs/dbraw/zinc/89/00/51/206890051.db2.gz JHECBPQLNLDWBJ-ZIAGYGMSSA-N 0 0 365.609 5.809 1 0 FKAFRN CC12Oc3ccc4ccccc4c3CC1Cc1c(ccc3ccccc31)O2 ZINC000001616842 206889822 /nfs/dbraw/zinc/88/98/22/206889822.db2.gz BXZCDVKPNGPGTC-UHFFFAOYSA-N 0 0 352.433 5.895 1 0 FKAFRN O=P1(Oc2ccc(Cl)cc2Cl)Oc2cc3ccccc3cc2O1 ZINC000001616877 210361490 /nfs/dbraw/zinc/36/14/90/210361490.db2.gz VBRVCONQQWHIKQ-UHFFFAOYSA-N 0 0 367.124 6.105 1 0 FKAFRN CC1=C[C@@](C)(c2c[nH]c3ccccc32)CC(C)(C)c2c3ccccc3[nH]c21 ZINC000001618971 204015491 /nfs/dbraw/zinc/01/54/91/204015491.db2.gz FBJAPBJGACFLTK-RUZDIDTESA-N 0 0 354.497 6.692 1 0 FKAFRN Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2Cl)c(OC(C)C)c1 ZINC000001621318 560182952 /nfs/dbraw/zinc/18/29/52/560182952.db2.gz PWGZOUCWGRTPSM-UHFFFAOYSA-N 0 0 363.240 5.862 1 0 in-vitro FKAFRN O=C(c1c2nc3ccccc3nc2sc1-c1ccccc1)c1ccccc1 ZINC000001622281 204014888 /nfs/dbraw/zinc/01/48/88/204014888.db2.gz GQRULGOKPURVQE-UHFFFAOYSA-N 0 0 366.445 5.743 1 0 FKAFRN O=C(CCCCCCCCCCc1ccccc1)c1c(O)cccc1O ZINC000001622615 560183080 /nfs/dbraw/zinc/18/30/80/560183080.db2.gz JEUSOLAWSNFKCL-UHFFFAOYSA-N 0 0 354.490 6.034 1 0 biogenic,in-vitro FKAFRN COc1ccc([C@H](c2ccccc2)[C@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 ZINC000001629260 210362388 /nfs/dbraw/zinc/36/23/88/210362388.db2.gz FODRFNKXXDTGIV-CPJSRVTESA-N 0 0 372.508 6.271 1 0 FKAFRN COc1ccc([C@@H](c2ccccc2)[C@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 ZINC000001629262 219413590 /nfs/dbraw/zinc/41/35/90/219413590.db2.gz FODRFNKXXDTGIV-NBGIEHNGSA-N 0 0 372.508 6.271 1 0 FKAFRN COc1ccc([C@@H](c2ccccc2)[C@@H](C)C(=O)c2c(C)cc(C)cc2C)cc1 ZINC000001629263 210361796 /nfs/dbraw/zinc/36/17/96/210361796.db2.gz FODRFNKXXDTGIV-CJFMBICVSA-N 0 0 372.508 6.271 1 0 FKAFRN NC1=CSC2=NC3=C(CCCC3=Cc3ccccc3)[C@H](c3ccccc3)N12 ZINC000001629652 204014774 /nfs/dbraw/zinc/01/47/74/204014774.db2.gz ZFMXFZRSVPPFHE-NSSKUTDJSA-N 0 0 371.509 5.645 1 0 FKAFRN CC1c2c(Cl)nc3ccccc3c2Oc2c3ccccc3nc(Cl)c21 ZINC000001630123 204015562 /nfs/dbraw/zinc/01/55/62/204015562.db2.gz ZJSYSJIRDCESCH-UHFFFAOYSA-N 0 0 367.235 6.347 1 0 FKAFRN Fc1ccc2c(c1)S[C@H]1Oc3ccccc3-c3c1c-2nn3-c1ccccc1 ZINC000001630128 219413569 /nfs/dbraw/zinc/41/35/69/219413569.db2.gz BQLGPNXCFOSHFQ-JOCHJYFZSA-N 0 0 372.424 5.842 1 0 FKAFRN Cc1ccc2c(c1)-c1c3c(nn1-c1ccccc1)-c1ccccc1S[C@H]3O2 ZINC000001630131 210362014 /nfs/dbraw/zinc/36/20/14/210362014.db2.gz VHEGRDCPNUTRQE-HSZRJFAPSA-N 0 0 368.461 6.011 1 0 FKAFRN COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@H]12)CC1(CC3)SCCS1 ZINC000001630512 204015532 /nfs/dbraw/zinc/01/55/32/204015532.db2.gz NJJRJTCHDTYRKU-QXAKKESOSA-N 0 0 366.592 5.423 1 0 FKAFRN CCCN(CCC)C(=O)Cc1c2ccccc2n2c1-c1ccccc1CCC2 ZINC000001633016 204014816 /nfs/dbraw/zinc/01/48/16/204014816.db2.gz HXVSILAMVOCHRQ-UHFFFAOYSA-N 0 0 374.528 5.446 1 0 FKAFRN On1c2ccccc2c(-c2ccccc2N2CCCC2)c1-c1ccccc1 ZINC000001633307 210364348 /nfs/dbraw/zinc/36/43/48/210364348.db2.gz VUSNJUXRMBOHFF-UHFFFAOYSA-N 0 0 354.453 5.813 1 0 FKAFRN O=C1O/C(=C(\Br)c2cccc3ccccc32)c2ccccc21 ZINC000001633466 204015576 /nfs/dbraw/zinc/01/55/76/204015576.db2.gz KESOYHRLGZYZEA-ZCXUNETKSA-N 0 0 351.199 5.231 1 0 FKAFRN C[C@]12CCC3=C(CSC4=C3CSc3ccccc34)C1=CCCC2=O ZINC000001633826 204014421 /nfs/dbraw/zinc/01/44/21/204014421.db2.gz ZUQQCKGJXYPCIS-NRFANRHFSA-N 0 0 352.524 5.636 1 0 FKAFRN O=C1CS[C@@H](c2c[nH]c3ccccc32)N1c1ccc(Cl)cc1Cl ZINC000001634738 206891110 /nfs/dbraw/zinc/89/11/10/206891110.db2.gz ZVOOSKBMTOEWQD-KRWDZBQOSA-N 0 0 363.269 5.253 1 0 FKAFRN COc1ccc2cc([C@H](C)[C@H](O)c3cc(F)c(F)c(F)c3F)ccc2c1 ZINC000001635372 204014360 /nfs/dbraw/zinc/01/43/60/204014360.db2.gz DHLOUZZUEJCHDZ-FVINQWEUSA-N 0 0 364.338 5.242 1 0 FKAFRN COc1ccc2cc([C@@H](C)[C@@H](O)c3cc(F)c(F)c(F)c3F)ccc2c1 ZINC000001635375 204014651 /nfs/dbraw/zinc/01/46/51/204014651.db2.gz DHLOUZZUEJCHDZ-CFMSYZGJSA-N 0 0 364.338 5.242 1 0 FKAFRN COc1ccc(Nc2nc3ccccc3nc2-c2cccs2)cc1OC ZINC000001639097 210363135 /nfs/dbraw/zinc/36/31/35/210363135.db2.gz FUBWRZWRIHSYTF-UHFFFAOYSA-N 0 0 363.442 5.119 1 0 FKAFRN CC[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2-n2cccc2C1=O ZINC000001648534 581094085 /nfs/dbraw/zinc/09/40/85/581094085.db2.gz KWSFGTUDMGWHIP-DEOSSOPVSA-N 0 0 353.421 5.511 1 0 FKAFRN O=C1Cc2c(-c3cccs3)cc(-c3ccccc3)nc2-c2ccccc2N1 ZINC000001648850 518202471 /nfs/dbraw/zinc/20/24/71/518202471.db2.gz MDGMACJYKCJWGC-UHFFFAOYSA-N 0 0 368.461 5.639 1 0 FKAFRN Clc1cccc(Cl)c1[C@H]1SCc2nc3cc4ccccc4cc3n21 ZINC000001649574 204016670 /nfs/dbraw/zinc/01/66/70/204016670.db2.gz IYQCNTPKYKWELS-LJQANCHMSA-N 0 0 371.292 6.290 1 0 FKAFRN Fc1cccc(Cl)c1[C@H]1SCc2nc3cc4ccccc4cc3n21 ZINC000001649641 210363886 /nfs/dbraw/zinc/36/38/86/210363886.db2.gz XFDWUSABMXHHMJ-LJQANCHMSA-N 0 0 354.837 5.776 1 0 FKAFRN Fc1ccc(OCc2ccc3nc(-c4ccccc4)c(Cl)nc3c2)cc1 ZINC000001653541 204017009 /nfs/dbraw/zinc/01/70/09/204017009.db2.gz ODZRGIABKXFAMY-UHFFFAOYSA-N 0 0 364.807 5.668 1 0 FKAFRN COC(=O)c1c(C)c2c(c(C)c1C(=O)OC)-c1c3c-2c(C)ccc3ccc1C ZINC000001654065 210364310 /nfs/dbraw/zinc/36/43/10/210364310.db2.gz GDGBSSOXLHZDQI-UHFFFAOYSA-N 0 0 374.436 5.294 1 0 FKAFRN O[C@@H](c1ccc(-c2ccccc2)cc1)C(F)(F)c1nc2ccccc2o1 ZINC000001654781 210363332 /nfs/dbraw/zinc/36/33/32/210363332.db2.gz LGWTVZUAPGUCEF-IBGZPJMESA-N 0 0 351.352 5.320 1 0 FKAFRN O=C1Sc2cc3ccccc3cc2C(=O)Sc2cc3ccccc3cc21 ZINC000001656607 204016550 /nfs/dbraw/zinc/01/65/50/204016550.db2.gz LFCXOXKKNZBHGK-UHFFFAOYSA-N 0 0 372.470 6.171 1 0 FKAFRN COc1ccc(-c2cc(-c3cc(F)c(Cl)cc3Cl)on2)cc1OC ZINC000001660337 204016349 /nfs/dbraw/zinc/01/63/49/204016349.db2.gz ZKXBBZOZJMSBOR-UHFFFAOYSA-N 0 0 368.191 5.472 1 0 FKAFRN COc1ccc(Oc2ccc3cc4c(cc3c2O)OCO4)c2cc(C)oc21 ZINC000001660640 210364111 /nfs/dbraw/zinc/36/41/11/210364111.db2.gz UUJIRNAGMIUKOM-UHFFFAOYSA-N 0 0 364.353 5.130 1 0 FKAFRN O[C@@H](C[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001660725 204016570 /nfs/dbraw/zinc/01/65/70/204016570.db2.gz TVYRTICGBVJCSU-RTWAWAEBSA-N 0 0 357.280 6.249 1 0 FKAFRN O[C@H](C[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001660727 210364138 /nfs/dbraw/zinc/36/41/38/210364138.db2.gz TVYRTICGBVJCSU-NHCUHLMSSA-N 0 0 357.280 6.249 1 0 FKAFRN O[C@H](C[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001660728 210363430 /nfs/dbraw/zinc/36/34/30/210363430.db2.gz TVYRTICGBVJCSU-LEWJYISDSA-N 0 0 357.280 6.249 1 0 FKAFRN S=c1ssc2c3ssc(=S)c3n(Cc3ccccc3)c12 ZINC000001660999 206891774 /nfs/dbraw/zinc/89/17/74/206891774.db2.gz FJTJYWDXXQALAD-UHFFFAOYSA-N 0 0 369.608 6.548 1 0 FKAFRN Nc1c(-c2nc3ccccc3o2)sc(=S)n1-c1ccc(Cl)cc1 ZINC000001663300 210366275 /nfs/dbraw/zinc/36/62/75/210366275.db2.gz MZTLBUMMRXORCS-UHFFFAOYSA-N 0 0 359.863 5.312 1 0 FKAFRN Cc1cc(C[C@H](C)[C@H]2CC[C@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O ZINC000001694899 210365814 /nfs/dbraw/zinc/36/58/14/210365814.db2.gz VLPXHDDRKFSEFV-RDAXPCIFSA-N 0 0 352.518 6.113 1 0 FKAFRN Cc1cc(C)c(OC(=O)Nc2cccc3ccccc32)c(-c2ccccc2)c1 ZINC000001854982 204020572 /nfs/dbraw/zinc/02/05/72/204020572.db2.gz MBUINHZVXPNNPJ-UHFFFAOYSA-N 0 0 367.448 6.735 1 0 FKAFRN Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1-c1ccccc1 ZINC000001857444 206898075 /nfs/dbraw/zinc/89/80/75/206898075.db2.gz XXLLIKXMZDUCPE-UHFFFAOYSA-N 0 0 356.216 5.070 1 0 FKAFRN Fc1ccc(-c2sc(-c3cccs3)cc2Cc2cccs2)cc1 ZINC000001857707 204020358 /nfs/dbraw/zinc/02/03/58/204020358.db2.gz PKCBGENNGWMGRO-UHFFFAOYSA-N 0 0 356.512 6.935 1 0 FKAFRN Cn1nc(-c2ccccc2)c2c1nc1ccc(Cl)cc1c2-c1ccccc1 ZINC000001860699 210373444 /nfs/dbraw/zinc/37/34/44/210373444.db2.gz IOCZGUZIDAVUOA-UHFFFAOYSA-N 0 0 369.855 6.109 1 0 FKAFRN Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1cccs1 ZINC000001861856 204021138 /nfs/dbraw/zinc/02/11/38/204021138.db2.gz YUVKZOYXWWKHGW-UHFFFAOYSA-N 0 0 359.450 5.816 1 0 FKAFRN Cn1c(-c2ccccc2)cc(-c2ccc3c(c2)OCO3)c1-c1ccsc1 ZINC000001861866 204021441 /nfs/dbraw/zinc/02/14/41/204021441.db2.gz QHGDCDOZSYUKSH-UHFFFAOYSA-N 0 0 359.450 5.816 1 0 FKAFRN COP(=O)(C[P@@](=O)(OC)OCC[C@@H](C)CCC=C(C)C)OC 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368.651 5.209 1 0 FKAFRN Cc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc32)c1 ZINC000005589667 204216969 /nfs/dbraw/zinc/21/69/69/204216969.db2.gz VQPQERMHZIZHBO-UHFFFAOYSA-N 0 0 352.652 5.509 1 0 FKAFRN Cc1ccccc1Nc1nc(C(Cl)(Cl)Cl)nc2ccccc21 ZINC000005590106 207108612 /nfs/dbraw/zinc/10/86/12/207108612.db2.gz NLJIUNSXQNSYTN-UHFFFAOYSA-N 0 0 352.652 5.509 1 0 FKAFRN c1ccc([C@H]2C3CCCCC3=Nc3nc4cc5ccccc5cc4n32)cc1 ZINC000005593635 207107698 /nfs/dbraw/zinc/10/76/98/207107698.db2.gz UNMUPBFNERJVKC-QHCPKHFHSA-N 0 0 351.453 6.033 1 0 FKAFRN Clc1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 ZINC000005596427 132829005 /nfs/dbraw/zinc/82/90/05/132829005.db2.gz HABJZKITEFOBAZ-UHFFFAOYSA-N 0 0 370.843 5.097 1 0 FKAFRN Cc1cccc(C[C@@]2(SCc3ccccc3)C(C)(C)[C@@H]3CC[C@@]2(C)C3)n1 ZINC000005596555 204217510 /nfs/dbraw/zinc/21/75/10/204217510.db2.gz SOJRMMPXQXUKCQ-FGCOXFRFSA-N 0 0 365.586 6.451 1 0 FKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2n3c4ccccc4nc3CCC[C@]12C ZINC000005597098 204216849 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Cc1ccc(C)c(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1 ZINC000008611039 204336284 /nfs/dbraw/zinc/33/62/84/204336284.db2.gz BMFLLAALBNNMTI-UHFFFAOYSA-N 0 0 370.452 5.482 1 0 FKAFRN Cc1cccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1C ZINC000008611668 207239097 /nfs/dbraw/zinc/23/90/97/207239097.db2.gz COPGCFPFTPLUDT-UHFFFAOYSA-N 0 0 370.452 5.482 1 0 FKAFRN Cc1cccc(C)c1NC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 ZINC000008611670 207239308 /nfs/dbraw/zinc/23/93/08/207239308.db2.gz YGFRCJARWHQNBP-UHFFFAOYSA-N 0 0 370.452 5.482 1 0 FKAFRN CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO ZINC000008689959 560210768 /nfs/dbraw/zinc/21/07/68/560210768.db2.gz MWQCBVWCBTUPDQ-HZJYTTRNSA-N 0 0 351.575 5.689 1 0 in-vitro FKAFRN c1ccc(-c2nc(-c3ccccc3)c(Nc3ccc4ccccc4c3)o2)cc1 ZINC000008690109 204338379 /nfs/dbraw/zinc/33/83/79/204338379.db2.gz ZVJJIEDAUWXNNO-UHFFFAOYSA-N 0 0 362.432 6.905 1 0 FKAFRN COc1ccc(-c2nc(-c3ccccc3)oc2Nc2ccccc2C)cc1 ZINC000008690120 207240938 /nfs/dbraw/zinc/24/09/38/207240938.db2.gz VNYSPSVUKCPBRB-UHFFFAOYSA-N 0 0 356.425 6.069 1 0 FKAFRN Cc1ccccc1Nc1oc(-c2ccccc2)nc1CCc1ccccc1 ZINC000008690122 204338864 /nfs/dbraw/zinc/33/88/64/204338864.db2.gz AHXMAAVJFNWPBR-UHFFFAOYSA-N 0 0 354.453 6.179 1 0 FKAFRN COc1ccc(-c2nc(-c3ccccc3)c(Nc3c(C)cccc3C)o2)cc1 ZINC000008690123 219865802 /nfs/dbraw/zinc/86/58/02/219865802.db2.gz KWGGAFJINKJGIC-UHFFFAOYSA-N 0 0 370.452 6.378 1 0 FKAFRN c1ccc(-c2nc(-c3cccc4ccccc43)c(NC3CCCCC3)o2)cc1 ZINC000008860588 219871034 /nfs/dbraw/zinc/87/10/34/219871034.db2.gz WQGKUSUWFIAQRR-UHFFFAOYSA-N 0 0 368.480 6.906 1 0 aggregator FKAFRN CC(C)(C)Nc1oc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000008860594 210807327 /nfs/dbraw/zinc/80/73/27/210807327.db2.gz CBVXMJWQIGHSLB-UHFFFAOYSA-N 0 0 360.379 6.238 1 0 FKAFRN CCCC(=O)c1cnc2c(cccc2[C@H](C)O)c1Nc1ccc(O)cc1C ZINC000011688767 219927341 /nfs/dbraw/zinc/92/73/41/219927341.db2.gz KKROLBPZTBQBCJ-AWEZNQCLSA-N 0 0 364.445 5.029 1 0 FKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1ccccn1)c1ccccc1 ZINC000012559619 206292966 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360.501 5.123 1 0 FKAFRN Cc1ccc(Nc2nc(-c3ccc(-c4ccccn4)s3)cs2)nc1 ZINC000013141390 207453330 /nfs/dbraw/zinc/45/33/30/207453330.db2.gz KKMYBZJHGAZKFE-UHFFFAOYSA-N 0 0 350.472 5.381 1 0 FKAFRN O=C(Nc1ccccc1Cl)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000013151830 206301838 /nfs/dbraw/zinc/30/18/38/206301838.db2.gz IZWQCYGTDFVOLL-XDYBTGMQSA-N 0 0 358.696 5.135 1 0 FKAFRN O=C(Nc1ccccc1Cl)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000013151831 204524705 /nfs/dbraw/zinc/52/47/05/204524705.db2.gz IZWQCYGTDFVOLL-NNYUYHANSA-N 0 0 358.696 5.135 1 0 FKAFRN CC(C)(C)NC(=O)c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccccc1)N2 ZINC000013153435 220059895 /nfs/dbraw/zinc/05/98/95/220059895.db2.gz WKJWFESSCHFAQW-PFMQYRJWSA-N 0 0 374.528 5.511 1 0 FKAFRN CC(C)(C)NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 ZINC000013153437 220061385 /nfs/dbraw/zinc/06/13/85/220061385.db2.gz WKJWFESSCHFAQW-YUXJCULASA-N 0 0 374.528 5.511 1 0 FKAFRN COc1ccc2c(c1)nc1n2[C@@H](c2c(Cl)cccc2Cl)SC1 ZINC000013207753 220061309 /nfs/dbraw/zinc/06/13/09/220061309.db2.gz GYCGPAKNEADXKK-MRXNPFEDSA-N 0 0 351.258 5.145 1 0 FKAFRN Fc1cccc(F)c1[C@@H]1SCc2nc3cc(Cl)c(Cl)cc3n21 ZINC000013222657 204524618 /nfs/dbraw/zinc/52/46/18/204524618.db2.gz UNWMWGMVLBGSJO-HNNXBMFYSA-N 0 0 357.212 5.415 1 0 FKAFRN CCO[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2c(O)c(OC)c(C(C)C)cc21 ZINC000013302686 291088866 /nfs/dbraw/zinc/08/88/66/291088866.db2.gz MGAOUXBZMKOBML-BSRJHKFKSA-N 0 0 360.538 6.090 1 0 biogenic,in-vitro FKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc2ccoc21 ZINC000013303769 210180630 /nfs/dbraw/zinc/18/06/30/210180630.db2.gz MXJNLOCPZJNQMY-IBGZPJMESA-N 0 0 364.397 5.059 1 0 in-vivo FKAFRN CC(C)=CCc1ccc2c(c1)[nH]cc2[C@@H](C=C(C)C)c1ccc2cc[nH]c2c1 ZINC000013365959 291087183 /nfs/dbraw/zinc/08/71/83/291087183.db2.gz FNELRTTWUIVSEN-QHCPKHFHSA-N 0 0 368.524 7.256 1 0 biogenic,in-vitro FKAFRN COc1ccc(/C=C/[C@H]2CCC=C[C@@H]2c2ccc(O)c(OC)c2)cc1OC ZINC000013384122 291089250 /nfs/dbraw/zinc/08/92/50/291089250.db2.gz NNDAWFGRMQFDQC-BULUQRFKSA-N 0 0 366.457 5.181 1 0 biogenic,in-vitro FKAFRN CC[C@@H](C)C(=O)O[C@H](CC=C(C)C)c1coc(-c2cc(O)ccc2O)c1 ZINC000013432855 291088860 /nfs/dbraw/zinc/08/88/60/291088860.db2.gz PEZOMNLHRUVLDV-AUUYWEPGSA-N 0 0 358.434 5.345 1 0 biogenic,in-vitro FKAFRN CC(C)=CC[C@H](OC(=O)CC(C)C)c1coc(-c2cc(O)ccc2O)c1 ZINC000013432859 210182624 /nfs/dbraw/zinc/18/26/24/210182624.db2.gz RQSVDMLEQSPRMK-IBGZPJMESA-N 0 0 358.434 5.345 1 0 FKAFRN CC(C)=CC[C@@H](OC(=O)CC(C)C)c1coc(-c2cc(O)ccc2O)c1 ZINC000013432861 211033618 /nfs/dbraw/zinc/03/36/18/211033618.db2.gz RQSVDMLEQSPRMK-LJQANCHMSA-N 0 0 358.434 5.345 1 0 biogenic,in-vitro FKAFRN CC(C)=CC[C@@H](OC(=O)C=C(C)C)c1coc(-c2cc(O)ccc2O)c1 ZINC000013432865 211034577 /nfs/dbraw/zinc/03/45/77/211034577.db2.gz MIIXCJKPPPUPOJ-LJQANCHMSA-N 0 0 356.418 5.265 1 0 biogenic,in-vitro FKAFRN C[NH+](C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 ZINC000013437217 220067030 /nfs/dbraw/zinc/06/70/30/220067030.db2.gz RUWZQSJWDUNAEU-DHLKQENFSA-N 0 0 370.496 5.071 1 0 FKAFRN C[NH+](C)C[C@H]1C[C@H]2c3ccccc3Cc3ccc(-c4ccccc4)cc3N2O1 ZINC000013437220 220067463 /nfs/dbraw/zinc/06/74/63/220067463.db2.gz RUWZQSJWDUNAEU-RDGATRHJSA-N 0 0 370.496 5.071 1 0 FKAFRN CCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 ZINC000013437717 211034317 /nfs/dbraw/zinc/03/43/17/211034317.db2.gz XLGVIPRRJYUYBR-UHFFFAOYSA-N 0 0 371.540 6.750 1 0 FKAFRN CCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 ZINC000013437768 204531239 /nfs/dbraw/zinc/53/12/39/204531239.db2.gz PTKPSYLXJIYGGX-QGZVFWFLSA-N 0 0 371.540 6.921 1 0 FKAFRN CCCCCc1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1 ZINC000013437772 211034482 /nfs/dbraw/zinc/03/44/82/211034482.db2.gz PTKPSYLXJIYGGX-KRWDZBQOSA-N 0 0 371.540 6.921 1 0 FKAFRN Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOC(C)(C)C)c1Cl ZINC000013438029 207461379 /nfs/dbraw/zinc/46/13/79/207461379.db2.gz WWZFRSNOVPDPTP-UHFFFAOYSA-N 0 0 367.276 5.505 1 0 FKAFRN CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1F ZINC000013441080 220066932 /nfs/dbraw/zinc/06/69/32/220066932.db2.gz CJYLGGVBLVNETB-UHFFFAOYSA-N 0 0 357.513 6.360 1 0 FKAFRN CCCCCc1c(-c2cccc(O)c2)c(CO)c(C(C)C)nc1C(C)C ZINC000013441090 211034063 /nfs/dbraw/zinc/03/40/63/211034063.db2.gz DXTUGHXKISDKJP-UHFFFAOYSA-N 0 0 355.522 5.926 1 0 FKAFRN CCCCCc1c(-c2ccccc2O)c(CO)c(C(C)C)nc1C(C)C ZINC000013441092 211034864 /nfs/dbraw/zinc/03/48/64/211034864.db2.gz YHYMRUYFZKGUMS-UHFFFAOYSA-N 0 0 355.522 5.926 1 0 FKAFRN CCCCCC(=CCNC(=O)Nc1ccc(Cl)cc1)CCCCC ZINC000013451917 220068244 /nfs/dbraw/zinc/06/82/44/220068244.db2.gz CIWRUSYLNXXOOQ-UHFFFAOYSA-N 0 0 350.934 6.549 1 0 in-vivo FKAFRN CC(C)=CCc1c2c(cc3c1O[C@H](c1ccccc1)CC3=O)C=CC(C)(C)O2 ZINC000013460393 291087006 /nfs/dbraw/zinc/08/70/06/291087006.db2.gz VBTDTADYYPMGAF-QFIPXVFZSA-N 0 0 374.480 6.086 1 0 biogenic,in-vitro FKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](CC(C)C)O2)C(C)=CC(C)(C)N3 ZINC000013470794 211034851 /nfs/dbraw/zinc/03/48/51/211034851.db2.gz LUJGLEQFDNFEOE-FQEVSTJZSA-N 0 0 363.501 6.449 1 0 FKAFRN CCCC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013470800 220069056 /nfs/dbraw/zinc/06/90/56/220069056.db2.gz FPIHUZAABXEZHI-HXUWFJFHSA-N 0 0 363.501 6.593 1 0 FKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000013474619 220069339 /nfs/dbraw/zinc/06/93/39/220069339.db2.gz XIWRCSVXKPGGAJ-UHFFFAOYSA-N 0 0 368.868 5.467 1 0 FKAFRN CC1(c2cc(NC(=O)Nc3ccccc3)n(-c3ccccc3)n2)CCCCC1 ZINC000013474631 220069880 /nfs/dbraw/zinc/06/98/80/220069880.db2.gz FIGYKDVBCKXPEA-UHFFFAOYSA-N 0 0 374.488 5.738 1 0 FKAFRN O=C(Nc1cc(C2CCCCC2)nn1-c1ccccc1)Nc1ccccc1 ZINC000013474635 211035367 /nfs/dbraw/zinc/03/53/67/211035367.db2.gz GKENYYBBXHLOLY-UHFFFAOYSA-N 0 0 360.461 5.564 1 0 FKAFRN CC(C)(C)c1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000013474637 220069299 /nfs/dbraw/zinc/06/92/99/220069299.db2.gz UECNUHPELBKGGN-UHFFFAOYSA-N 0 0 367.880 5.004 1 0 FKAFRN CC(C)(C)c1cc(CC(=O)Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000013474638 204531962 /nfs/dbraw/zinc/53/19/62/204531962.db2.gz VWISUWJOZVMOBK-UHFFFAOYSA-N 0 0 367.880 5.004 1 0 FKAFRN Cc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1C ZINC000013474648 220070192 /nfs/dbraw/zinc/07/01/92/220070192.db2.gz ZVXGJXOOHDCIBO-UHFFFAOYSA-N 0 0 362.477 5.431 1 0 FKAFRN C[C@@H](NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc21 ZINC000013477190 220069325 /nfs/dbraw/zinc/06/93/25/220069325.db2.gz JUVYDTIZKRZTLP-CYBMUJFWSA-N 0 0 363.511 5.497 1 0 FKAFRN C[C@H](NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc21 ZINC000013477192 207463464 /nfs/dbraw/zinc/46/34/64/207463464.db2.gz JUVYDTIZKRZTLP-ZDUSSCGKSA-N 0 0 363.511 5.497 1 0 FKAFRN CS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccc(F)cc2)cc1 ZINC000013477345 207463003 /nfs/dbraw/zinc/46/30/03/207463003.db2.gz QQNWTSVELIVSMY-UHFFFAOYSA-N 0 0 365.429 5.045 1 0 FKAFRN CS(=O)(=O)c1ccc(-c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1 ZINC000013477377 220069807 /nfs/dbraw/zinc/06/98/07/220069807.db2.gz HCIXODIQXMVZAX-UHFFFAOYSA-N 0 0 365.429 5.045 1 0 FKAFRN Cc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)c2c1 ZINC000013477388 207462672 /nfs/dbraw/zinc/46/26/72/207462672.db2.gz VFTJNWIPDOVECS-UHFFFAOYSA-N 0 0 361.466 5.214 1 0 FKAFRN CCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013478183 220070011 /nfs/dbraw/zinc/07/00/11/220070011.db2.gz ZKFMBNXOLWLPFN-RTBURBONSA-N 0 0 356.550 6.861 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013478185 211036092 /nfs/dbraw/zinc/03/60/92/211036092.db2.gz PJPBVOAEXHKPAB-WOJBJXKFSA-N 0 0 370.577 7.251 1 0 FKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC[C@H](O)CO ZINC000013479521 220069516 /nfs/dbraw/zinc/06/95/16/220069516.db2.gz MHROLVDNBHVTMB-MDGVENSFSA-N 0 0 364.570 5.502 1 0 FKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC[C@@H](O)CO ZINC000013479522 204533082 /nfs/dbraw/zinc/53/30/82/204533082.db2.gz MHROLVDNBHVTMB-PYLLGFJESA-N 0 0 364.570 5.502 1 0 FKAFRN CCc1nc2c(nccc2-c2ccc(Cl)cc2Cl)n1[C@@H](C)C1CCC1 ZINC000013479583 207463933 /nfs/dbraw/zinc/46/39/33/207463933.db2.gz LXIJMCYSPGOIKM-LBPRGKRZSA-N 0 0 374.315 6.329 1 0 FKAFRN CCc1nc2c(nccc2-c2ccc(Cl)cc2Cl)n1[C@H](C)C1CCC1 ZINC000013479584 207463246 /nfs/dbraw/zinc/46/32/46/207463246.db2.gz LXIJMCYSPGOIKM-GFCCVEGCSA-N 0 0 374.315 6.329 1 0 FKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(Cl)cc1Cl ZINC000013479585 211035763 /nfs/dbraw/zinc/03/57/63/211035763.db2.gz CQKJDRAMFGINOY-GFCCVEGCSA-N 0 0 362.304 6.329 1 0 FKAFRN CCC[C@H](C)n1c(CC)nc2c1nccc2-c1ccc(Cl)cc1Cl ZINC000013479586 211036264 /nfs/dbraw/zinc/03/62/64/211036264.db2.gz CQKJDRAMFGINOY-LBPRGKRZSA-N 0 0 362.304 6.329 1 0 FKAFRN CCc1nc2c(nccc2-c2ccc(Cl)cc2Cl)n1C(CC)CC ZINC000013479589 211035616 /nfs/dbraw/zinc/03/56/16/211035616.db2.gz OBCIACTZSKCORZ-UHFFFAOYSA-N 0 0 362.304 6.329 1 0 FKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1cc(C)c(OC)cc1C ZINC000013479612 220069671 /nfs/dbraw/zinc/06/96/71/220069671.db2.gz HOZZYHKZUPKELP-MRXNPFEDSA-N 0 0 351.494 5.647 1 0 FKAFRN CCC[C@H](C)n1c(CC)nc2c1nccc2-c1cc(C)c(OC)cc1C ZINC000013479613 220070089 /nfs/dbraw/zinc/07/00/89/220070089.db2.gz HOZZYHKZUPKELP-INIZCTEOSA-N 0 0 351.494 5.647 1 0 FKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1cc(F)c(F)cc1Cl ZINC000013479614 211035990 /nfs/dbraw/zinc/03/59/90/211035990.db2.gz PMPFVTNNBPTEQF-LLVKDONJSA-N 0 0 363.839 5.953 1 0 FKAFRN CCC[C@H](C)n1c(CC)nc2c1nccc2-c1cc(F)c(F)cc1Cl ZINC000013479615 211035744 /nfs/dbraw/zinc/03/57/44/211035744.db2.gz PMPFVTNNBPTEQF-NSHDSACASA-N 0 0 363.839 5.953 1 0 FKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(C(C)=O)cc1Cl ZINC000013479618 211035457 /nfs/dbraw/zinc/03/54/57/211035457.db2.gz ZGWRELXRQFHBLR-CYBMUJFWSA-N 0 0 369.896 5.878 1 0 FKAFRN CCC[C@@H](C)n1c(CC)nc2c1ccnc2-c1ccc(Cl)cc1Cl ZINC000013479637 220070178 /nfs/dbraw/zinc/07/01/78/220070178.db2.gz POMWTQKAGJDRBD-GFCCVEGCSA-N 0 0 362.304 6.329 1 0 FKAFRN CCC[C@H](C)n1c(CC)nc2c1ccnc2-c1ccc(Cl)cc1Cl ZINC000013479638 220070183 /nfs/dbraw/zinc/07/01/83/220070183.db2.gz POMWTQKAGJDRBD-LBPRGKRZSA-N 0 0 362.304 6.329 1 0 FKAFRN CCC[C@H](C)n1c(CC)nc2c1ccnc2-c1ccc(OC(F)F)cc1C ZINC000013479642 211036230 /nfs/dbraw/zinc/03/62/30/211036230.db2.gz ZCRMOTFHGJWGFR-AWEZNQCLSA-N 0 0 373.447 5.932 1 0 FKAFRN COc1ccc(-c2cc(OC)c3c4c2ccc(OC)c4CC[C@@H]3OC)cc1 ZINC000013480695 207462991 /nfs/dbraw/zinc/46/29/91/207462991.db2.gz LHRSSYXWCZVPJH-FQEVSTJZSA-N 0 0 364.441 5.166 1 0 FKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1CCc2cc(O)ccc2O1 ZINC000013480723 574413292 /nfs/dbraw/zinc/41/32/92/574413292.db2.gz WSTGHGHPTQPFAP-JMFFIKRNSA-N 0 0 368.561 7.285 1 0 endogenous,in-man FKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1CCc2cc(O)ccc2O1 ZINC000013480724 574413282 /nfs/dbraw/zinc/41/32/82/574413282.db2.gz WSTGHGHPTQPFAP-IHPKNFMKSA-N 0 0 368.561 7.285 1 0 endogenous,in-man FKAFRN COC(=O)[C@]12CCCC(C)(C)[C@H]1C=Cc1cc(C(C)C)c(OC)c(OC)c12 ZINC000013480778 560217248 /nfs/dbraw/zinc/21/72/48/560217248.db2.gz YSNDSABGXVFRFW-UZUQRXQVSA-N 0 0 372.505 5.091 1 0 biogenic,in-vitro FKAFRN CCc1nc2c(nccc2-c2ccc(Cl)nc2C)n1[C@H](CC)C1CC1 ZINC000013487181 211036370 /nfs/dbraw/zinc/03/63/70/211036370.db2.gz JYFDPOVFCSAFSJ-MRXNPFEDSA-N 0 0 354.885 5.379 1 0 FKAFRN C[C@@]1(Cc2ccccc2)C(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 ZINC000013488896 220069968 /nfs/dbraw/zinc/06/99/68/220069968.db2.gz UDPWGYPGCKGVEH-QFIPXVFZSA-N 0 0 363.913 6.260 1 0 FKAFRN C[C@]1(Cc2ccccc2)C(=S)Nc2ccc(-c3cccc(Cl)c3)cc21 ZINC000013488897 211036072 /nfs/dbraw/zinc/03/60/72/211036072.db2.gz UDPWGYPGCKGVEH-JOCHJYFZSA-N 0 0 363.913 6.260 1 0 FKAFRN S=C1Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2C12CCCCC2 ZINC000013488900 581101633 /nfs/dbraw/zinc/10/16/33/581101633.db2.gz ABSLJVCXKDUKLK-UHFFFAOYSA-N 0 0 369.533 6.975 1 0 FKAFRN CCCC(=O)Nc1[nH]nc2ncc(-c3ccc(-c4ccccc4)cc3)cc21 ZINC000013489650 211036471 /nfs/dbraw/zinc/03/64/71/211036471.db2.gz QSXQMPVZQTYTNO-UHFFFAOYSA-N 0 0 356.429 5.031 1 0 FKAFRN CCn1c2ccccc2c2cc(-c3nc(-c4ccccc4)c(C)[nH]3)ccc21 ZINC000013490276 211035171 /nfs/dbraw/zinc/03/51/71/211035171.db2.gz RNEASTBHQHQRDF-UHFFFAOYSA-N 0 0 351.453 6.180 1 0 FKAFRN CCn1c2ccccc2c2cc(-c3nc(-c4ccccn4)c(C)[nH]3)ccc21 ZINC000013490277 211035582 /nfs/dbraw/zinc/03/55/82/211035582.db2.gz CHEAQHKAGNKJME-UHFFFAOYSA-N 0 0 352.441 5.575 1 0 FKAFRN COc1cc(Nc2ncc(-c3ccccc3)o2)c(Cl)cc1-c1cnco1 ZINC000013490395 211035702 /nfs/dbraw/zinc/03/57/02/211035702.db2.gz LCQVSLKHQHPSGL-UHFFFAOYSA-N 0 0 367.792 5.402 1 0 FKAFRN CC(C)=C/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000013490428 220069504 /nfs/dbraw/zinc/06/95/04/220069504.db2.gz VRWXHHASXOUVMH-FBHDLOMBSA-N 0 0 361.460 6.800 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(Br)cc1-3 ZINC000013490440 211036036 /nfs/dbraw/zinc/03/60/36/211036036.db2.gz KRGAYZJXZMMOOH-UHFFFAOYSA-N 0 0 356.263 5.616 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc(-c2ccccc2)cc1-3 ZINC000013490445 581093095 /nfs/dbraw/zinc/09/30/95/581093095.db2.gz ZLWINLVDXSESKM-UHFFFAOYSA-N 0 0 353.465 6.520 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(Br)cc1-3 ZINC000013490452 204532019 /nfs/dbraw/zinc/53/20/19/204532019.db2.gz OFRWAMYYBARBJR-UHFFFAOYSA-N 0 0 374.253 5.755 1 0 FKAFRN CCCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 ZINC000013491307 220069512 /nfs/dbraw/zinc/06/95/12/220069512.db2.gz RWQLSDZMLCUREL-UHFFFAOYSA-N 0 0 374.440 5.174 1 0 FKAFRN CCN(CC)C(=O)OC1=C(c2ccccc2)Cc2ccccc2-n2cccc21 ZINC000013491324 211035308 /nfs/dbraw/zinc/03/53/08/211035308.db2.gz JAUNHGFDBAAPNS-UHFFFAOYSA-N 0 0 372.468 5.380 1 0 FKAFRN Fc1ccc(-c2nc(SCc3ccccc3)[nH]c2-c2ccncc2)cc1 ZINC000013491680 211036561 /nfs/dbraw/zinc/03/65/61/211036561.db2.gz LJOYKNIJQZYHQG-UHFFFAOYSA-N 0 0 361.445 5.570 1 0 FKAFRN Oc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000013492382 204532204 /nfs/dbraw/zinc/53/22/04/204532204.db2.gz WAOZHMBQSJUJOL-UHFFFAOYSA-N 0 0 370.370 6.009 1 0 FKAFRN O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc(-c2ccccc2)cc1 ZINC000013493267 220069444 /nfs/dbraw/zinc/06/94/44/220069444.db2.gz KMVQSZVTYPHFEA-UHFFFAOYSA-N 0 0 373.843 5.649 1 0 FKAFRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cccnc1 ZINC000013509697 211037591 /nfs/dbraw/zinc/03/75/91/211037591.db2.gz MXMFCEUTOXUVHB-CVGDDBFFSA-N 0 0 351.534 5.489 1 0 FKAFRN CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000013518290 220071329 /nfs/dbraw/zinc/07/13/29/220071329.db2.gz WCPPWTZXYXGTLF-UHFFFAOYSA-N 0 0 357.862 5.494 1 0 FKAFRN Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)c2ccccc2)cc1 ZINC000013518339 211036897 /nfs/dbraw/zinc/03/68/97/211036897.db2.gz AFPFAYROMNFHMI-UHFFFAOYSA-N 0 0 369.489 6.204 1 0 FKAFRN CC1(C)Cc2c(-c3cc[nH]n3)sc(Sc3cccs3)c2C(=O)C1 ZINC000013520383 211037231 /nfs/dbraw/zinc/03/72/31/211037231.db2.gz VQAWSSJLGHVFHE-UHFFFAOYSA-N 0 0 360.529 5.506 1 0 FKAFRN O=C1c2ccccc2C(=Cc2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000013524981 211038053 /nfs/dbraw/zinc/03/80/53/211038053.db2.gz VRPYPFAIAPTTDN-UHFFFAOYSA-N 0 0 351.232 6.127 1 0 FKAFRN CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(-c2ccccc2)c1 ZINC000013525314 211037063 /nfs/dbraw/zinc/03/70/63/211037063.db2.gz NVRIFXXLPBHJAS-UHFFFAOYSA-N 0 0 351.449 5.779 1 0 FKAFRN Cc1c(C(=O)N(C)Cc2ccccc2)cc2ccccc2c1-c1ccccc1 ZINC000013525328 220070639 /nfs/dbraw/zinc/07/06/39/220070639.db2.gz UELDSWZQWLSAOP-UHFFFAOYSA-N 0 0 365.476 6.087 1 0 FKAFRN Cc1c(C(=O)NCc2ccccc2)nc2ccccc2c1-c1ccccc1F ZINC000013525335 220071047 /nfs/dbraw/zinc/07/10/47/220071047.db2.gz ZAQVSWUKWOBQNH-UHFFFAOYSA-N 0 0 370.427 5.279 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccco1)Oc1ccc(F)cc1-3 ZINC000013527254 211037740 /nfs/dbraw/zinc/03/77/40/211037740.db2.gz DZATYSMEKYVDKI-MTJSOVHGSA-N 0 0 373.427 6.584 1 0 FKAFRN Cc1ccccc1C(=O)c1ccc(N(C)c2ccccc2N)cc1Cl ZINC000013531316 207464594 /nfs/dbraw/zinc/46/45/94/207464594.db2.gz GIBQUDGWUOVOMR-UHFFFAOYSA-N 0 0 350.849 5.230 1 0 FKAFRN Cc1cc(C)c(NC(=O)c2ccc3nc(NCC4CC4)sc3c2)c(C)c1 ZINC000013536488 211037044 /nfs/dbraw/zinc/03/70/44/211037044.db2.gz ZOJBXCXSYUNBEO-UHFFFAOYSA-N 0 0 365.502 5.296 1 0 FKAFRN Cc1cccc(Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)c1 ZINC000013536887 204534024 /nfs/dbraw/zinc/53/40/24/204534024.db2.gz DJRHRGVREWWGOM-UHFFFAOYSA-N 0 0 350.274 5.271 1 0 FKAFRN S=c1[nH]c(-c2ccc(Cl)cc2Cl)nn1CCc1ccccc1 ZINC000013536890 220072438 /nfs/dbraw/zinc/07/24/38/220072438.db2.gz OFYWDYOOWQQQOL-UHFFFAOYSA-N 0 0 350.274 5.157 1 0 FKAFRN S=c1[nH]c(-c2ccc(Cl)cc2Cl)nn1Cc1cccc(Cl)c1 ZINC000013536899 211037548 /nfs/dbraw/zinc/03/75/48/211037548.db2.gz NLSGPSLKBTYDDS-UHFFFAOYSA-N 0 0 370.692 5.242 1 0 FKAFRN CC(=O)Nc1oc(-c2cncc(-c3ccccc3)c2)nc1-c1ccccc1 ZINC000013538090 211039554 /nfs/dbraw/zinc/03/95/54/211039554.db2.gz DZCYFVPWGUECSY-UHFFFAOYSA-N 0 0 355.397 5.029 1 0 FKAFRN CC(=O)Nc1oc(-c2cncc(-c3cccc(F)c3)c2)nc1-c1ccccc1 ZINC000013538093 204534001 /nfs/dbraw/zinc/53/40/01/204534001.db2.gz FXRYQZIMCVOCEU-UHFFFAOYSA-N 0 0 373.387 5.168 1 0 FKAFRN CCCN(CCC)c1cc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1 ZINC000013553406 211039795 /nfs/dbraw/zinc/03/97/95/211039795.db2.gz RZYYKIAFLNXLER-UHFFFAOYSA-N 0 0 356.901 5.224 1 0 FKAFRN CCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553414 220073386 /nfs/dbraw/zinc/07/33/86/220073386.db2.gz 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CC[C@H]1Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2CC1(CC)CC ZINC000013581083 204537254 /nfs/dbraw/zinc/53/72/54/204537254.db2.gz XBVYEKYLTSWRCK-MRXNPFEDSA-N 0 0 352.400 5.100 1 0 FKAFRN O=C(NC1CCCCC1)Oc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000013583448 220077466 /nfs/dbraw/zinc/07/74/66/220077466.db2.gz PJNNLGWPDLDWCS-UHFFFAOYSA-N 0 0 363.379 5.794 1 0 FKAFRN CCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OCCC ZINC000013584607 211040705 /nfs/dbraw/zinc/04/07/05/211040705.db2.gz GSOPTOPTGMYIOB-UHFFFAOYSA-N 0 0 368.429 5.046 1 0 FKAFRN CC(C)c1cc(C(C)C)n2nc(-c3ccc(O)cc3)c(-c3ccccc3)c2n1 ZINC000013585003 211041319 /nfs/dbraw/zinc/04/13/19/211041319.db2.gz FAMXMAMESYFGJG-UHFFFAOYSA-N 0 0 371.484 6.016 1 0 FKAFRN CC(C)c1cc(C(C)C)n2nc(-c3ccccc3)c(-c3ccc(O)cc3)c2n1 ZINC000013585005 204538338 /nfs/dbraw/zinc/53/83/38/204538338.db2.gz ADKFGZBRNZGQJM-UHFFFAOYSA-N 0 0 371.484 6.016 1 0 FKAFRN CC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 ZINC000013585492 204538760 /nfs/dbraw/zinc/53/87/60/204538760.db2.gz 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Oc1ccc([C@@]2(c3ccccc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000013649368 211046831 /nfs/dbraw/zinc/04/68/31/211046831.db2.gz BXXFQDJABDJKOP-UXHICEINSA-N 0 0 355.264 5.650 1 0 FKAFRN CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 ZINC000013651811 211046561 /nfs/dbraw/zinc/04/65/61/211046561.db2.gz BRNOSSNGWQHLRG-XNXCBWKESA-N 0 0 370.533 5.191 1 0 FKAFRN CCC(=O)c1cc2cc3c(cc2o1)CC[C@H]1[C@@H]2CC[C@H](O)[C@@]2(C)CC[C@H]31 ZINC000013651827 211046883 /nfs/dbraw/zinc/04/68/83/211046883.db2.gz DXMMRNKHIXQRPX-YRRUUWTKSA-N 0 0 352.474 5.243 1 0 FKAFRN CCCCCc1ccc([C@@H]2c3c(c(C)c(C)c(N)c3C)OC2(C)C)cc1 ZINC000013652135 204542912 /nfs/dbraw/zinc/54/29/12/204542912.db2.gz WXTTZVQWBUCLHC-OAQYLSRUSA-N 0 0 351.534 6.230 1 0 FKAFRN CCCCCc1ccc([C@H]2c3c(c(C)c(C)c(N)c3C)OC2(C)C)cc1 ZINC000013652136 211046897 /nfs/dbraw/zinc/04/68/97/211046897.db2.gz WXTTZVQWBUCLHC-NRFANRHFSA-N 0 0 351.534 6.230 1 0 FKAFRN CCCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1 ZINC000013652175 211046369 /nfs/dbraw/zinc/04/63/69/211046369.db2.gz KEXOILIIEGWNPZ-UHFFFAOYSA-N 0 0 350.462 5.111 1 0 FKAFRN O=C1[C@@H]2[C@@H](C=CC[C@@H]2c2ccccc2)[C@H](c2ccoc2)N1Cc1ccccc1 ZINC000013661893 207474864 /nfs/dbraw/zinc/47/48/64/207474864.db2.gz KSYOIXDDZBOZLY-LWSSLDFYSA-N 0 0 369.464 5.339 1 0 FKAFRN CCCCCCO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013671463 220082684 /nfs/dbraw/zinc/08/26/84/220082684.db2.gz WZUFCJOKVUYXDX-APGKHBHUSA-N 0 0 374.609 6.564 1 0 FKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](O)(c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013671482 220082981 /nfs/dbraw/zinc/08/29/81/220082981.db2.gz FBCINCBIRWVDGR-XEYKCJAPSA-N 0 0 366.545 5.486 1 0 FKAFRN CCCCCC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013671505 220082711 /nfs/dbraw/zinc/08/27/11/220082711.db2.gz SUFKNLCDOHRDMW-SMUKYFJDSA-N 0 0 374.609 6.300 1 0 FKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013671509 220082653 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Fc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc32)c1 ZINC000013672198 220082355 /nfs/dbraw/zinc/08/23/55/220082355.db2.gz JDAANLOCFREMRX-UHFFFAOYSA-N 0 0 360.436 5.457 1 0 FKAFRN c1c2c(nn1-c1ccccc1)c(NCc1ccccc1)nc1ccccc21 ZINC000013672207 220082904 /nfs/dbraw/zinc/08/29/04/220082904.db2.gz FDAGQFXWOKXHTR-UHFFFAOYSA-N 0 0 350.425 5.186 1 0 FKAFRN c1c2c(nn1-c1ccccc1)c(NCCc1ccccc1)nc1ccccc21 ZINC000013672209 220083129 /nfs/dbraw/zinc/08/31/29/220083129.db2.gz CYSDHZJPDQKSJB-UHFFFAOYSA-N 0 0 364.452 5.228 1 0 FKAFRN CCCc1c(C(=O)SCC)c(C)nc(-c2ccccc2)c1C(=O)OCC ZINC000013672330 220082508 /nfs/dbraw/zinc/08/25/08/220082508.db2.gz COIYLGMUGWDDPB-UHFFFAOYSA-N 0 0 371.502 5.080 1 0 FKAFRN C[C@@H](C(=O)OC(C)(C)C)c1ccc(-c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000013672547 220082893 /nfs/dbraw/zinc/08/28/93/220082893.db2.gz TVDXFZAFRUSAOI-LLVKDONJSA-N 0 0 369.263 6.245 1 0 FKAFRN CC[C@H]1Cn2nc(-c3ccc(C)cc3C)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672747 220082665 /nfs/dbraw/zinc/08/26/65/220082665.db2.gz 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ZINC000013742286 211056568 /nfs/dbraw/zinc/05/65/68/211056568.db2.gz YPZDZCHEAPDMLJ-UHFFFAOYSA-N 0 0 354.457 5.758 1 0 FKAFRN COc1cccc2c(Nc3ccccc3C)nc(N(C)c3ccccc3)nc12 ZINC000013742287 220092093 /nfs/dbraw/zinc/09/20/93/220092093.db2.gz INKLTUZCKOHPGT-UHFFFAOYSA-N 0 0 370.456 5.458 1 0 FKAFRN COc1cccc2c1nc(N(C)c1ccccc1)nc2N(C)c1ccccc1 ZINC000013742288 204550659 /nfs/dbraw/zinc/55/06/59/204550659.db2.gz KASCIINVXOKSMA-UHFFFAOYSA-N 0 0 370.456 5.174 1 0 FKAFRN CCN(c1ccccc1)c1nc(Nc2ccccc2C)nc2ccccc21 ZINC000013742289 211056233 /nfs/dbraw/zinc/05/62/33/211056233.db2.gz DJLUXYBZWMQKTE-UHFFFAOYSA-N 0 0 354.457 5.840 1 0 FKAFRN Cc1ccccc1Nc1nc2ccccc2c(N(C)c2ccc(O)cc2)n1 ZINC000013742290 220092663 /nfs/dbraw/zinc/09/26/63/220092663.db2.gz OSAYZYAKTYCLAV-UHFFFAOYSA-N 0 0 356.429 5.155 1 0 FKAFRN Cc1ccccc1Nc1nc2ccccc2c(N(C)c2ccccc2C)n1 ZINC000013742291 220091931 /nfs/dbraw/zinc/09/19/31/220091931.db2.gz XGUXGNRVBKGDNX-UHFFFAOYSA-N 0 0 354.457 5.758 1 0 FKAFRN COc1ccc(Nc2nc3ccccc3c(N(C)c3ccccc3)n2)c(C)c1 ZINC000013742299 204550902 /nfs/dbraw/zinc/55/09/02/204550902.db2.gz VVJBSTDBCMDOHE-UHFFFAOYSA-N 0 0 370.456 5.458 1 0 FKAFRN CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCCC3)C2)cc1 ZINC000013745524 581099616 /nfs/dbraw/zinc/09/96/16/581099616.db2.gz PMQKCWAUARTKGJ-UHFFFAOYSA-N 0 0 370.489 5.494 1 0 FKAFRN Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000013755796 220093588 /nfs/dbraw/zinc/09/35/88/220093588.db2.gz XUKVJQAMNLZRMM-UHFFFAOYSA-N 0 0 372.436 5.319 1 0 FKAFRN Cc1c(C)n([C@@H](C)c2ccccc2)c2ncnc(N[C@@H](C)c3ccccc3)c12 ZINC000013756605 211058877 /nfs/dbraw/zinc/05/88/77/211058877.db2.gz PQWKBENBHSNINP-HKUYNNGSSA-N 0 0 370.500 5.831 1 0 FKAFRN C[C@@H](c1ccccc1)n1c2ccccc2c2c1nc(-c1ccccc1)nc2N ZINC000013756616 220093257 /nfs/dbraw/zinc/09/32/57/220093257.db2.gz VBCKEAQWAHLODG-INIZCTEOSA-N 0 0 364.452 5.443 1 0 FKAFRN CCCCN(CCCC)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1 ZINC000013759951 220093516 /nfs/dbraw/zinc/09/35/16/220093516.db2.gz 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Cc1c2ccccc2c(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1 ZINC000013765096 211057623 /nfs/dbraw/zinc/05/76/23/211057623.db2.gz GDBCZVVIDHCFJO-UHFFFAOYSA-N 0 0 366.464 5.482 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000013765592 220093666 /nfs/dbraw/zinc/09/36/66/220093666.db2.gz WREHREIPYKSRLY-UHFFFAOYSA-N 0 0 366.545 7.243 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000013765595 207484949 /nfs/dbraw/zinc/48/49/49/207484949.db2.gz MTNZVBITSPXYGO-WOJBJXKFSA-N 0 0 370.577 7.251 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21 ZINC000013765597 211057725 /nfs/dbraw/zinc/05/77/25/211057725.db2.gz MTNZVBITSPXYGO-VQTJNVASSA-N 0 0 370.577 7.251 1 0 FKAFRN Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c[nH]1 ZINC000013765651 211058556 /nfs/dbraw/zinc/05/85/56/211058556.db2.gz YYVJPYSXCHDNEY-MTMZYOSNSA-N 0 0 354.538 5.125 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccccc1)Oc1ccccc1-3 ZINC000013777087 211057515 /nfs/dbraw/zinc/05/75/15/211057515.db2.gz KGVGNTCIQIYLQU-XMMPIXPASA-N 0 0 353.465 6.443 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(F)cc1)Oc1ccccc1-3 ZINC000013777091 211058774 /nfs/dbraw/zinc/05/87/74/211058774.db2.gz GZVGUQWAUCAVDI-XMMPIXPASA-N 0 0 371.455 6.582 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(F)c1)Oc1ccccc1-3 ZINC000013777097 211057714 /nfs/dbraw/zinc/05/77/14/211057714.db2.gz NVMMRAHFZTXRQY-DEOSSOPVSA-N 0 0 371.455 6.582 1 0 FKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccc(F)cc1-3 ZINC000013777155 207486252 /nfs/dbraw/zinc/48/62/52/207486252.db2.gz VXRLIUYZYDZKBE-DEOSSOPVSA-N 0 0 371.455 6.582 1 0 FKAFRN FC(F)(F)c1cn2cccc(OCc3c(Cl)cccc3Cl)c2n1 ZINC000013778300 220094456 /nfs/dbraw/zinc/09/44/56/220094456.db2.gz GCLUMSJIBNPQNB-UHFFFAOYSA-N 0 0 361.150 5.239 1 0 FKAFRN CCOC(=O)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778599 211058676 /nfs/dbraw/zinc/05/86/76/211058676.db2.gz TXGYVFJZVOKOBB-HXUWFJFHSA-N 0 0 367.489 5.219 1 0 FKAFRN CCOC(=O)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013778601 211057970 /nfs/dbraw/zinc/05/79/70/211057970.db2.gz TXGYVFJZVOKOBB-FQEVSTJZSA-N 0 0 367.489 5.219 1 0 FKAFRN CCCCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000013779269 211058892 /nfs/dbraw/zinc/05/88/92/211058892.db2.gz MRAWPNLCWYURBV-GUDVDZBRSA-N 0 0 358.522 6.007 1 0 FKAFRN CC(C)c1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc(C(C)C)c1O ZINC000013780155 211059507 /nfs/dbraw/zinc/05/95/07/211059507.db2.gz OHYZPHUXMLDXTQ-NVMNQCDNSA-N 0 0 355.865 5.785 1 0 FKAFRN COc1ccc(CNc2nnc(Cl)c3cc(Cl)ccc32)cc1Cl ZINC000013780946 220094635 /nfs/dbraw/zinc/09/46/35/220094635.db2.gz YIXMAXQFMAUZNE-UHFFFAOYSA-N 0 0 368.651 5.211 1 0 FKAFRN N=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1ccc(Cl)cc1 ZINC000013781351 211060548 /nfs/dbraw/zinc/06/05/48/211060548.db2.gz IULSXRJQCDYYRM-UHFFFAOYSA-N 0 0 358.832 5.388 1 0 FKAFRN O=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1ccc(Cl)cc1 ZINC000013781357 207485671 /nfs/dbraw/zinc/48/56/71/207485671.db2.gz 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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncc1 ZINC000013782528 211060605 /nfs/dbraw/zinc/06/06/05/211060605.db2.gz XAAZZZPPMNDFEH-AKGHTDQDSA-N 0 0 351.534 5.489 1 0 FKAFRN C[C@@]12C=C(/C=C/c3ccc(F)cc3)[C@@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O ZINC000013783083 211059205 /nfs/dbraw/zinc/05/92/05/211059205.db2.gz MLERNJKRLAOFMP-GPIPTUJCSA-N 0 0 364.435 6.077 1 0 FKAFRN C[C@]12C=C(/C=C/c3ccc(F)cc3)[C@](C)(C1)[C@@H](c1ccc(F)cc1)CC2=O ZINC000013783084 220094916 /nfs/dbraw/zinc/09/49/16/220094916.db2.gz MLERNJKRLAOFMP-BWRDLPSYSA-N 0 0 364.435 6.077 1 0 FKAFRN Cc1ccc(/C=C/C2=C[C@@]3(C)C[C@]2(C)[C@@H](c2ccc(C)cc2)CC3=O)cc1 ZINC000013783093 207484836 /nfs/dbraw/zinc/48/48/36/207484836.db2.gz VNDABGLWEBDVEO-FQAXRPEISA-N 0 0 356.509 6.416 1 0 FKAFRN C[C@]12C=C(/C=C/C=C/c3ccco3)[C@](C)(C1)[C@@H](/C=C/c1ccco1)CC2=O ZINC000013783101 220095037 /nfs/dbraw/zinc/09/50/37/220095037.db2.gz UQMOFGNDJAVHLT-OWMCRCFSSA-N 0 0 360.453 6.087 1 0 FKAFRN CCCCc1ccc(N(CC)c2nc(C)cc(C)n2)c(Br)c1 ZINC000013794604 211059191 /nfs/dbraw/zinc/05/91/91/211059191.db2.gz RNYRYIVVVBXSRR-UHFFFAOYSA-N 0 0 362.315 5.357 1 0 FKAFRN Cc1cc(Cl)nc2c1ccn2-c1ccc(C(C)C)cc1Br ZINC000013794646 207485910 /nfs/dbraw/zinc/48/59/10/207485910.db2.gz PNGHDPQUCWMVKJ-UHFFFAOYSA-N 0 0 363.686 5.873 1 0 FKAFRN Cc1cc(Cl)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1 ZINC000013794652 211060139 /nfs/dbraw/zinc/06/01/39/211060139.db2.gz PUXGFALKNTZHGS-UHFFFAOYSA-N 0 0 363.686 5.873 1 0 FKAFRN CCCCNc1nc(C)nc2c1c(C)c(C)n2-c1c(C)cc(C)cc1C ZINC000013795081 211059582 /nfs/dbraw/zinc/05/95/82/211059582.db2.gz YSRDKCMEEQUANM-UHFFFAOYSA-N 0 0 350.510 5.483 1 0 FKAFRN CCCSc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000013796282 211060303 /nfs/dbraw/zinc/06/03/03/211060303.db2.gz HXYYZKGEOWXAKH-UHFFFAOYSA-N 0 0 364.580 6.008 1 0 FKAFRN CC(C)Sc1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 ZINC000013796285 211059091 /nfs/dbraw/zinc/05/90/91/211059091.db2.gz YEQSTNZQZFQNKF-UHFFFAOYSA-N 0 0 364.580 6.006 1 0 FKAFRN CC1(C)C=Cc2c(ccc3c2[C@H](c2ccc(Cl)cc2)Oc2ccccc2-3)N1 ZINC000013796847 204553286 /nfs/dbraw/zinc/55/32/86/204553286.db2.gz DITXHXHXUDEFMA-QHCPKHFHSA-N 0 0 373.883 6.706 1 0 FKAFRN C[C@@H]1c2c(ccc3c2[C@H](c2ccccc2)Oc2ccccc2-3)NC(C)(C)C1=O ZINC000013796862 211059235 /nfs/dbraw/zinc/05/92/35/211059235.db2.gz QXSLSLICSJPAFZ-CMJOXMDJSA-N 0 0 369.464 5.712 1 0 FKAFRN C[C@H]1c2c(ccc3c2[C@H](c2ccccc2)Oc2ccccc2-3)NC(C)(C)C1=O ZINC000013796865 204553571 /nfs/dbraw/zinc/55/35/71/204553571.db2.gz QXSLSLICSJPAFZ-WNSKOXEYSA-N 0 0 369.464 5.712 1 0 FKAFRN c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013798196 220095047 /nfs/dbraw/zinc/09/50/47/220095047.db2.gz QSXGIABTGIJOJX-UHFFFAOYSA-N 0 0 373.459 6.473 1 0 FKAFRN N#[N+]c1ccc2c(c1)[nH]c(=O)c(-c1cccc(Oc3ccccc3)c1)c2[O-] ZINC000013801567 220095664 /nfs/dbraw/zinc/09/56/64/220095664.db2.gz XCWMPGVZCYODDR-UHFFFAOYSA-O 0 0 356.361 5.178 1 0 FKAFRN CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1 ZINC000013806737 211060590 /nfs/dbraw/zinc/06/05/90/211060590.db2.gz MERADDQYWVLJMW-UHFFFAOYSA-N 0 0 358.506 7.284 1 0 FKAFRN CCCCc1oc2ccccc2c1[C@@H](O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000013806786 581095074 /nfs/dbraw/zinc/09/50/74/581095074.db2.gz VZLNGUOESOANIN-VWLOTQADSA-N 0 0 372.464 6.230 1 0 FKAFRN CCCCc1oc2ccccc2c1[C@H](O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000013806788 581095049 /nfs/dbraw/zinc/09/50/49/581095049.db2.gz VZLNGUOESOANIN-RUZDIDTESA-N 0 0 372.464 6.230 1 0 FKAFRN Cc1ccccc1NC(=O)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000013808628 220095662 /nfs/dbraw/zinc/09/56/62/220095662.db2.gz NCIFTLPMKFHFIK-UHFFFAOYSA-N 0 0 354.413 5.249 1 0 FKAFRN CN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc21 ZINC000013808823 220095394 /nfs/dbraw/zinc/09/53/94/220095394.db2.gz OZGCCTRTFRHDJM-UHFFFAOYSA-N 0 0 360.848 5.037 1 0 FKAFRN Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1 ZINC000013808835 220096194 /nfs/dbraw/zinc/09/61/94/220096194.db2.gz ZQIINWWMLNWZKD-UHFFFAOYSA-N 0 0 360.848 5.321 1 0 FKAFRN C[C@@H](c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc21 ZINC000013808841 220095587 /nfs/dbraw/zinc/09/55/87/220095587.db2.gz AFECIUCRUIZUKP-AWEZNQCLSA-N 0 0 360.848 5.574 1 0 FKAFRN C[C@H](c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc21 ZINC000013808843 204554152 /nfs/dbraw/zinc/55/41/52/204554152.db2.gz AFECIUCRUIZUKP-CQSZACIVSA-N 0 0 360.848 5.574 1 0 FKAFRN CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc32)cc1 ZINC000013808853 211060553 /nfs/dbraw/zinc/06/05/53/211060553.db2.gz MSXAXOGMQYORSO-UHFFFAOYSA-N 0 0 368.484 5.657 1 0 FKAFRN COc1cccc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc3c([nH]2)CCCC3)c1 ZINC000013809118 211059955 /nfs/dbraw/zinc/05/99/55/211059955.db2.gz NHBNPOFEIABVTF-STZFKDTASA-N 0 0 370.452 5.062 1 0 FKAFRN COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1cc2c([nH]1)CCCC2 ZINC000013809120 211059477 /nfs/dbraw/zinc/05/94/77/211059477.db2.gz PFORQVNUDXKNNV-ZHZULCJRSA-N 0 0 370.452 5.062 1 0 FKAFRN COc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc3c([nH]2)CCCC3)cc1 ZINC000013809122 220096079 /nfs/dbraw/zinc/09/60/79/220096079.db2.gz DPKWEIZIBQDTFF-STZFKDTASA-N 0 0 370.452 5.062 1 0 FKAFRN CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C)cc1-2 ZINC000013813984 211062229 /nfs/dbraw/zinc/06/22/29/211062229.db2.gz AYLSJCSPOZOCFK-UHFFFAOYSA-N 0 0 350.546 7.538 1 0 FKAFRN CCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(C(=O)OC)cc1-2 ZINC000013814000 220095914 /nfs/dbraw/zinc/09/59/14/220095914.db2.gz HYKNQHOOVGEYON-UHFFFAOYSA-N 0 0 352.474 5.845 1 0 FKAFRN CCCCCCC(C)(C)c1ccc2c(c1)OC(C)(C)c1ccc(CO)cc1-2 ZINC000013814018 211062387 /nfs/dbraw/zinc/06/23/87/211062387.db2.gz CFQBPYBPMFYBLY-UHFFFAOYSA-N 0 0 366.545 6.721 1 0 FKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1sccc1C=O ZINC000013814226 204555293 /nfs/dbraw/zinc/55/52/93/204555293.db2.gz VKUXYPNFVOVBCM-UHFFFAOYSA-N 0 0 360.434 5.618 1 0 aggregator FKAFRN O=C(Nc1cccc2cccnc21)c1c(Cl)cc(Cl)cc1Cl ZINC000013815887 204554623 /nfs/dbraw/zinc/55/46/23/204554623.db2.gz ULTWBIAMZCHAAC-UHFFFAOYSA-N 0 0 351.620 5.447 1 0 FKAFRN O=C(c1oc2cc(O)ccc2c1-c1cccc2ccccc21)c1ccccc1 ZINC000013818624 204554578 /nfs/dbraw/zinc/55/45/78/204554578.db2.gz INPREZIKKOLEHM-UHFFFAOYSA-N 0 0 364.400 6.190 1 0 FKAFRN COP(=O)(OC)Oc1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000013822647 220096894 /nfs/dbraw/zinc/09/68/94/220096894.db2.gz SBMVIWAHTSVGFX-UHFFFAOYSA-N 0 0 361.359 5.257 1 0 FKAFRN Cc1ccc(Cl)c(Nc2ccccc2C2N=NC(=S)S2)c1Cl ZINC000013828115 220096614 /nfs/dbraw/zinc/09/66/14/220096614.db2.gz GSDDMNUUKSXZMH-UHFFFAOYSA-N 0 0 368.314 5.853 1 0 FKAFRN FC(F)(F)c1cccc(Nc2ccccc2C2N=NC(=S)S2)c1 ZINC000013828118 211062276 /nfs/dbraw/zinc/06/22/76/211062276.db2.gz SSRDENPJPAFZCP-UHFFFAOYSA-N 0 0 353.394 5.256 1 0 FKAFRN Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(N)s2)c1Cl ZINC000013828124 211062423 /nfs/dbraw/zinc/06/24/23/211062423.db2.gz MNFDPAPPAHNLHZ-UHFFFAOYSA-N 0 0 351.262 5.146 1 0 FKAFRN Cc1noc(C)c1-c1ccc2ncnc(NCc3ccccc3Cl)c2c1 ZINC000013828567 211062147 /nfs/dbraw/zinc/06/21/47/211062147.db2.gz WQODZNJCGOBVMN-UHFFFAOYSA-N 0 0 364.836 5.167 1 0 FKAFRN Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1 ZINC000013828571 220097174 /nfs/dbraw/zinc/09/71/74/220097174.db2.gz OAGSNYRVFYNODW-UHFFFAOYSA-N 0 0 364.836 5.167 1 0 FKAFRN Cc1noc(C)c1-c1ccc2ncnc(N[C@H]3CCCc4ccccc43)c2c1 ZINC000013828598 211061567 /nfs/dbraw/zinc/06/15/67/211061567.db2.gz QTOXZTTWEGOZBI-NRFANRHFSA-N 0 0 370.456 5.391 1 0 FKAFRN CCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1ccc2ccccc2c1 ZINC000013828797 211062363 /nfs/dbraw/zinc/06/23/63/211062363.db2.gz VTXXCTKGJOGIJC-WFQOKMFZSA-N 0 0 358.525 6.521 1 0 FKAFRN CCCC/C=C/[C@H](c1ccccc1)[C@H](CO)Cc1cnc2ccccc2c1 ZINC000013828799 211061265 /nfs/dbraw/zinc/06/12/65/211061265.db2.gz PJVWQPGHGKWJIT-RUENKOOFSA-N 0 0 359.513 5.916 1 0 FKAFRN COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc4c(cc32)OCO4)cc1 ZINC000013829803 211061733 /nfs/dbraw/zinc/06/17/33/211061733.db2.gz YQRRFKSPYWIJGA-ICSRJNTNSA-N 0 0 360.409 5.080 1 0 FKAFRN COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3cc4c(cc32)OCO4)cc1 ZINC000013829807 211062273 /nfs/dbraw/zinc/06/22/73/211062273.db2.gz YQRRFKSPYWIJGA-AZUAARDMSA-N 0 0 360.409 5.080 1 0 FKAFRN COc1ccc([C@H]2C[C@@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 ZINC000013829846 220096797 /nfs/dbraw/zinc/09/67/97/220096797.db2.gz SKNHBIKYZAIJSJ-RPWUZVMVSA-N 0 0 372.508 6.783 1 0 FKAFRN COc1ccc([C@@H]2C[C@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 ZINC000013829848 211061638 /nfs/dbraw/zinc/06/16/38/211061638.db2.gz SKNHBIKYZAIJSJ-BJKOFHAPSA-N 0 0 372.508 6.783 1 0 FKAFRN COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3c(C)ccc(C(C)C)c32)cc1 ZINC000013829850 220096923 /nfs/dbraw/zinc/09/69/23/220096923.db2.gz SKNHBIKYZAIJSJ-DNQXCXABSA-N 0 0 372.508 6.783 1 0 FKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829854 211062391 /nfs/dbraw/zinc/06/23/91/211062391.db2.gz RBOGTOKHHDCLPU-XPNIBREUSA-N 0 0 367.492 5.752 1 0 FKAFRN C[C@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829856 220096953 /nfs/dbraw/zinc/09/69/53/220096953.db2.gz RBOGTOKHHDCLPU-CMRTURKBSA-N 0 0 367.492 5.752 1 0 FKAFRN C[C@@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829858 211062414 /nfs/dbraw/zinc/06/24/14/211062414.db2.gz RBOGTOKHHDCLPU-XUVDGOIQSA-N 0 0 367.492 5.752 1 0 FKAFRN C[C@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1 ZINC000013829860 220096671 /nfs/dbraw/zinc/09/66/71/220096671.db2.gz RBOGTOKHHDCLPU-URPHZZJISA-N 0 0 367.492 5.752 1 0 FKAFRN COc1ccc([C@H]2C[C@H](c3ccccc3)Oc3ccc(C(C)(C)C)cc32)cc1 ZINC000013829954 220096942 /nfs/dbraw/zinc/09/69/42/220096942.db2.gz HMQOODPDZMLNMI-RCZVLFRGSA-N 0 0 372.508 6.648 1 0 FKAFRN CC[C@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1cc(C)ccc1F ZINC000013830141 204554456 /nfs/dbraw/zinc/55/44/56/204554456.db2.gz CCRXMTHZKHHYRR-CSGUBPAMSA-N 0 0 363.476 5.436 1 0 FKAFRN CC[C@H]1CC=C[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1cc(C)ccc1F ZINC000013830145 204554445 /nfs/dbraw/zinc/55/44/45/204554445.db2.gz CCRXMTHZKHHYRR-LBVMUVSTSA-N 0 0 363.476 5.436 1 0 FKAFRN O=C1[C@@H]2[C@@H](C=CC[C@@H]2c2ccccc2)[C@@H](c2ccoc2)N1Cc1ccccc1 ZINC000013830278 211061660 /nfs/dbraw/zinc/06/16/60/211061660.db2.gz KSYOIXDDZBOZLY-JLLPCOHGSA-N 0 0 369.464 5.339 1 0 FKAFRN O=C1[C@H]2[C@@H](C=CC[C@@H]2c2ccccc2)[C@@H](c2ccoc2)N1Cc1ccccc1 ZINC000013830280 204554203 /nfs/dbraw/zinc/55/42/03/204554203.db2.gz KSYOIXDDZBOZLY-MOUTVQLLSA-N 0 0 369.464 5.339 1 0 FKAFRN O=C1[C@@H]2[C@H](C=CC[C@@H]2c2ccccc2)[C@@H](c2ccoc2)N1Cc1ccccc1 ZINC000013830282 220097076 /nfs/dbraw/zinc/09/70/76/220097076.db2.gz KSYOIXDDZBOZLY-NAVOZUGXSA-N 0 0 369.464 5.339 1 0 FKAFRN O=C1[C@H]2[C@H](C=CC[C@@H]2c2ccccc2)[C@@H](c2ccoc2)N1Cc1ccccc1 ZINC000013830284 211062145 /nfs/dbraw/zinc/06/21/45/211062145.db2.gz KSYOIXDDZBOZLY-UEQSERJNSA-N 0 0 369.464 5.339 1 0 FKAFRN C[C@@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1)N(Cc1ccccc1)C2=O ZINC000013830425 204554161 /nfs/dbraw/zinc/55/41/61/204554161.db2.gz DLLSCTDMHJGMPP-DGWZTRNLSA-N 0 0 367.492 5.896 1 0 FKAFRN COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3cc(C)cc(C)c32)cc1 ZINC000013830655 211061368 /nfs/dbraw/zinc/06/13/68/211061368.db2.gz XDWDFCAXTGHAQC-QPPBQGQZSA-N 0 0 360.453 5.072 1 0 FKAFRN CCCCCCN(C)C(=O)Cc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000013833111 211062339 /nfs/dbraw/zinc/06/23/39/211062339.db2.gz WRSQKPUDJVYVLQ-UHFFFAOYSA-N 0 0 366.480 5.555 1 0 FKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1ccc2ccccc2c1 ZINC000013833450 211062303 /nfs/dbraw/zinc/06/23/03/211062303.db2.gz SOIHAKJVDUXWEA-UHFFFAOYSA-N 0 0 374.528 6.451 1 0 FKAFRN O=C(NCC1(c2ccccc2)CCCC1)Nc1c(Cl)cccc1Cl ZINC000013833490 211061203 /nfs/dbraw/zinc/06/12/03/211061203.db2.gz BHBUPWTXARSOHV-UHFFFAOYSA-N 0 0 363.288 5.627 1 0 FKAFRN CCN(CC)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 ZINC000013835093 211062419 /nfs/dbraw/zinc/06/24/19/211062419.db2.gz CYLAHTXCAKAEOF-UHFFFAOYSA-N 0 0 356.897 5.169 1 0 FKAFRN CN(C)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 ZINC000013835094 220096511 /nfs/dbraw/zinc/09/65/11/220096511.db2.gz KGLIYGXMEABRLV-UHFFFAOYSA-N 0 0 363.288 5.043 1 0 FKAFRN CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 ZINC000013835096 207490046 /nfs/dbraw/zinc/49/00/46/207490046.db2.gz VMXIDNOKAXEMAW-UHFFFAOYSA-N 0 0 363.288 5.408 1 0 FKAFRN CCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 ZINC000013835098 220097362 /nfs/dbraw/zinc/09/73/62/220097362.db2.gz WWYYDJOGKUCMMZ-UHFFFAOYSA-N 0 0 356.897 5.535 1 0 FKAFRN C[C@@H]1CCN(c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)C1 ZINC000013835110 220097276 /nfs/dbraw/zinc/09/72/76/220097276.db2.gz XYFVVVNJTQLXTL-MRXNPFEDSA-N 0 0 368.908 5.169 1 0 FKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](Cc1ccccc1)[C@@H]2O ZINC000013835230 220097266 /nfs/dbraw/zinc/09/72/66/220097266.db2.gz BLOLGUACGJBTQO-CDXAVQHRSA-N 0 0 362.513 5.078 1 0 FKAFRN CSc1ccc(-c2[nH]c(-c3ccc(SC)cc3)c3c2CCCC3)cc1 ZINC000013835368 220097101 /nfs/dbraw/zinc/09/71/01/220097101.db2.gz JTJGXGHOJPIAFH-UHFFFAOYSA-N 0 0 365.567 6.671 1 0 FKAFRN Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1 ZINC000013835372 220097056 /nfs/dbraw/zinc/09/70/56/220097056.db2.gz RULFVHVCCYMYFH-UHFFFAOYSA-N 0 0 357.432 5.552 1 0 FKAFRN C[C@H](c1ccccc1)n1c2ccccc2c2c1nc(-c1cccs1)nc2N ZINC000013835488 211062194 /nfs/dbraw/zinc/06/21/94/211062194.db2.gz LWPYMLRXIXZMKH-CQSZACIVSA-N 0 0 370.481 5.505 1 0 FKAFRN Cc1c(C)n([C@H](C)c2ccccc2)c2nc([C@@H](C)c3ccccc3)nc(N)c12 ZINC000013835493 220097270 /nfs/dbraw/zinc/09/72/70/220097270.db2.gz OTJNDUNRBBFAMX-FUHWJXTLSA-N 0 0 370.500 5.391 1 0 FKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)C3CCCC3)cc1OC2(C)C ZINC000013840300 220097219 /nfs/dbraw/zinc/09/72/19/220097219.db2.gz KENIGRBQVUEUPI-RTBURBONSA-N 0 0 354.534 6.471 1 0 FKAFRN Cc1ccc(Sc2cncc3sc(C(=O)c4ccccc4)cc32)cc1 ZINC000013862324 211064295 /nfs/dbraw/zinc/06/42/95/211064295.db2.gz SHYPADXIXXYMGH-UHFFFAOYSA-N 0 0 361.491 5.987 1 0 FKAFRN CNC(=O)c1cc2c(cncc2Oc2ccc(-c3ccccc3)cc2)s1 ZINC000013864422 211063997 /nfs/dbraw/zinc/06/39/97/211063997.db2.gz LHTVZDWPAJZNEA-UHFFFAOYSA-N 0 0 360.438 5.115 1 0 FKAFRN CCC[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC ZINC000013886502 211064077 /nfs/dbraw/zinc/06/40/77/211064077.db2.gz PTLDTEKRPFLEPH-KRWDZBQOSA-N 0 0 366.567 5.811 1 0 FKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]1CCCc2ccccc21 ZINC000013887948 220098623 /nfs/dbraw/zinc/09/86/23/220098623.db2.gz BGPLPWJOGBYEMS-LJQANCHMSA-N 0 0 364.533 6.175 1 0 FKAFRN CCCCC[C@H]1CCc2c(O)c3c(cc2C1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]31 ZINC000013914414 211063496 /nfs/dbraw/zinc/06/34/96/211063496.db2.gz QZNJFXSEKJPBLV-IOMROCGXSA-N 0 0 368.561 6.688 1 0 FKAFRN CCCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000014255024 220120842 /nfs/dbraw/zinc/12/08/42/220120842.db2.gz KSYKSTOPPDEULS-UHFFFAOYSA-N 0 0 358.290 5.137 1 0 FKAFRN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000014255030 211089147 /nfs/dbraw/zinc/08/91/47/211089147.db2.gz BEWFEAZQVVASGK-LLVKDONJSA-N 0 0 358.290 5.308 1 0 FKAFRN CC(=O)OC(C)(C)[C@@H]1CC/C(C)=C\CC/C(C)=C\CCC2=C[C@@H]1OC2=O ZINC000014445677 220124546 /nfs/dbraw/zinc/12/45/46/220124546.db2.gz JRHSHBMAWLBQTD-AUGUNZAISA-N 0 0 360.494 5.043 1 0 FKAFRN CC(=O)OC(C)(C)[C@H]1CC/C(C)=C\CC/C(C)=C\CCC2=C[C@@H]1OC2=O ZINC000014445679 210181517 /nfs/dbraw/zinc/18/15/17/210181517.db2.gz JRHSHBMAWLBQTD-IOGCSYSISA-N 0 0 360.494 5.043 1 0 FKAFRN CC[C@@](C)(O)CCCCCCCCCc1[nH]c2ccccc2c(=O)c1OC ZINC000014489875 291088874 /nfs/dbraw/zinc/08/88/74/291088874.db2.gz HABOQMMTJQWRIU-HSZRJFAPSA-N 0 0 373.537 5.361 1 0 biogenic,in-vitro FKAFRN COc1c(CCCCCCCCCCC(C)(C)O)[nH]c2ccccc2c1=O ZINC000014489879 291089230 /nfs/dbraw/zinc/08/92/30/291089230.db2.gz KKVCNRZRXQPCPS-UHFFFAOYSA-N 0 0 373.537 5.361 1 0 biogenic,in-vitro FKAFRN CC(C)CCCCCCCCCCCCCCCc1c(O)ccoc1=O ZINC000014490280 571709930 /nfs/dbraw/zinc/70/99/30/571709930.db2.gz XEKYYIHOWASTHE-UHFFFAOYSA-N 0 0 364.570 7.005 1 0 endogenous,in-man FKAFRN CC(C)(O)CCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 ZINC000014492092 560221957 /nfs/dbraw/zinc/22/19/57/560221957.db2.gz MYMYSGUFPZXICQ-UHFFFAOYSA-N 0 0 357.538 5.743 1 0 biogenic,in-vitro FKAFRN COc1c(CCCCCCCCCCC[C@@H](C)O)[nH]c2ccccc2c1=O ZINC000014511125 291089253 /nfs/dbraw/zinc/08/92/53/291089253.db2.gz OSAYGIDOEMCDEU-GOSISDBHSA-N 0 0 373.537 5.361 1 0 biogenic,in-vitro FKAFRN COc1c(CCCCCCCCCCCC(C)=O)[nH]c2ccccc2c1=O ZINC000014511131 291089233 /nfs/dbraw/zinc/08/92/33/291089233.db2.gz BCBKLCYXAVRVRC-UHFFFAOYSA-N 0 0 371.521 5.569 1 0 biogenic,in-vitro FKAFRN C/C(=C\CC[C@@H](CO)CCCc1ccoc1)CC[C@H]1C(C)=CCCC1(C)C ZINC000014515595 211093275 /nfs/dbraw/zinc/09/32/75/211093275.db2.gz UJVZMYQCMKGVLL-IRXJTFMESA-N 0 0 372.593 7.100 1 0 in-vivo FKAFRN C/C(=C\CC[C@H](CO)CCCc1ccoc1)CC[C@H]1C(C)=CCCC1(C)C ZINC000014515602 220124558 /nfs/dbraw/zinc/12/45/58/220124558.db2.gz UJVZMYQCMKGVLL-FXRTWUCVSA-N 0 0 372.593 7.100 1 0 in-vivo FKAFRN COc1cccc2c3cc(C)c4c(c3[nH]c21)C=C[C@@](C)(CCC=C(C)C)O4 ZINC000014585290 210180742 /nfs/dbraw/zinc/18/07/42/210180742.db2.gz PCARJFWVFUEFLY-XMMPIXPASA-N 0 0 361.485 6.549 1 0 FKAFRN COc1cccc2c3cc(C)c4c(c3[nH]c21)C=C[C@](C)(CCC=C(C)C)O4 ZINC000014585292 211095871 /nfs/dbraw/zinc/09/58/71/211095871.db2.gz PCARJFWVFUEFLY-DEOSSOPVSA-N 0 0 361.485 6.549 1 0 FKAFRN CCCC/C=C/CCCCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000014614308 571715743 /nfs/dbraw/zinc/71/57/43/571715743.db2.gz KEAYVGHLOUCYNN-AATRIKPKSA-N 0 0 374.609 8.068 1 0 endogenous,in-man FKAFRN COc1c(Cl)cc(Cl)cc1C(=O)c1[nH]c(Cl)c(Cl)c1Cl ZINC000014684489 210181050 /nfs/dbraw/zinc/18/10/50/210181050.db2.gz OPEUDILCTNZYOP-UHFFFAOYSA-N 0 0 373.450 5.521 1 0 in-vitro FKAFRN O=C1c2ccccc2NC1(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21 ZINC000014721653 210180891 /nfs/dbraw/zinc/18/08/91/210180891.db2.gz IZKCVKAIVRRHDC-UHFFFAOYSA-N 0 0 363.420 5.201 1 0 FKAFRN OCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014722095 571721982 /nfs/dbraw/zinc/72/19/82/571721982.db2.gz SPUHPCYLASTIGZ-UHFFFAOYSA-N 0 0 370.662 7.553 1 0 endogenous,in-man FKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(O)c(C(C)=O)c(O)c1 ZINC000014774849 211101817 /nfs/dbraw/zinc/10/18/17/211101817.db2.gz JHVPZGYOSAURDM-VZRGJMDUSA-N 0 0 372.505 6.098 1 0 FKAFRN COc1c2c(cc3c1[C@H](OC)C[C@@H](c1ccccc1)O3)OC(C)(C)C=C2 ZINC000014885784 291089248 /nfs/dbraw/zinc/08/92/48/291089248.db2.gz GFVVFOVUYZBZJA-FUHWJXTLSA-N 0 0 352.430 5.091 1 0 biogenic,in-vitro FKAFRN CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(O)c3)cc21 ZINC000014945738 204592128 /nfs/dbraw/zinc/59/21/28/204592128.db2.gz MYMBBNWMHKYPLB-UHFFFAOYSA-N 0 0 361.367 5.232 1 0 FKAFRN CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3cccc(N)c3)cc21 ZINC000014945742 204592136 /nfs/dbraw/zinc/59/21/36/204592136.db2.gz XQKJVNGGVLHNLA-UHFFFAOYSA-N 0 0 360.383 5.108 1 0 investigational FKAFRN Cc1cc(C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c1 ZINC000014952178 211106793 /nfs/dbraw/zinc/10/67/93/211106793.db2.gz KCRFJJGXYWWZQB-UHFFFAOYSA-N 0 0 372.881 5.113 1 0 FKAFRN CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(Cl)cc3Cl)cn21 ZINC000014961213 220136876 /nfs/dbraw/zinc/13/68/76/220136876.db2.gz IFDJWAPVRLGJTG-UHFFFAOYSA-N 0 0 373.243 5.482 1 0 FKAFRN CC(C)c1nnc2ccc(-c3ocnc3-c3cccc(Cl)c3Cl)cn21 ZINC000014961217 204592848 /nfs/dbraw/zinc/59/28/48/204592848.db2.gz VBBYXLSNCXOMBB-UHFFFAOYSA-N 0 0 373.243 5.482 1 0 FKAFRN c1ccc(-c2oc3nccc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 ZINC000014965360 220136992 /nfs/dbraw/zinc/13/69/92/220136992.db2.gz BDRDZIHCMNAENW-IBGZPJMESA-N 0 0 370.452 5.753 1 0 FKAFRN CCCSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 ZINC000014968643 220137545 /nfs/dbraw/zinc/13/75/45/220137545.db2.gz OTAVWHYNRBBEDJ-UHFFFAOYSA-N 0 0 353.531 6.093 1 0 FKAFRN COc1ccccc1-c1ccc2c(c1)C(CSC(C)=O)=CC(C)(C)N2 ZINC000014968682 211109169 /nfs/dbraw/zinc/10/91/69/211109169.db2.gz ZIWULKAFQVYSMS-UHFFFAOYSA-N 0 0 353.487 5.229 1 0 FKAFRN C/C=C/CO[C@@H](C)C1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 ZINC000014968796 220136471 /nfs/dbraw/zinc/13/64/71/220136471.db2.gz JFEUWHWUEKXKKU-LXXRFIIISA-N 0 0 363.501 5.931 1 0 FKAFRN C[C@@H]1C[C@@H](C)CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C1 ZINC000014970839 220137136 /nfs/dbraw/zinc/13/71/36/220137136.db2.gz RGSUWKJYBMJESY-HUUCEWRRSA-N 0 0 366.896 5.274 1 0 FKAFRN C[C@H]1C[C@H](C)CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C1 ZINC000014970851 220137828 /nfs/dbraw/zinc/13/78/28/220137828.db2.gz RGSUWKJYBMJESY-GJZGRUSLSA-N 0 0 366.896 5.274 1 0 FKAFRN C[C@H](NC(=O)Nc1cccc2cnccc21)c1ccc(C(F)(F)F)cc1 ZINC000014973613 220136634 /nfs/dbraw/zinc/13/66/34/220136634.db2.gz FIRXVLDQHKDDGB-LBPRGKRZSA-N 0 0 359.351 5.136 1 0 FKAFRN O=C(Nc1cccc2cnccc21)NC(c1ccccc1)c1ccccc1 ZINC000014973663 220138629 /nfs/dbraw/zinc/13/86/29/220138629.db2.gz ZBZSZXCYOYRLKL-UHFFFAOYSA-N 0 0 353.425 5.146 1 0 in-vivo FKAFRN Cc1cc(C(C)(C)C)ccc1[C@H](C)NC(=O)Nc1cccc2cnccc21 ZINC000014973671 207536086 /nfs/dbraw/zinc/53/60/86/207536086.db2.gz FCULURVPUPQHAV-INIZCTEOSA-N 0 0 361.489 5.723 1 0 FKAFRN CC(C)(NC(=O)Nc1cccc2cnccc21)c1ccc(C(F)(F)F)cc1 ZINC000014973747 211109639 /nfs/dbraw/zinc/10/96/39/211109639.db2.gz SSCRLESHHRUODZ-UHFFFAOYSA-N 0 0 373.378 5.310 1 0 FKAFRN CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2cnccc21 ZINC000014973886 211107789 /nfs/dbraw/zinc/10/77/89/211107789.db2.gz VPSCJCQPUGKRNC-OAQYLSRUSA-N 0 0 359.473 5.341 1 0 in-vitro FKAFRN CC(C)(C)c1ccc2c(c1)CC[C@@H]2NC(=O)Nc1cccc2cnccc21 ZINC000014973890 560228098 /nfs/dbraw/zinc/22/80/98/560228098.db2.gz VPSCJCQPUGKRNC-NRFANRHFSA-N 0 0 359.473 5.341 1 0 in-vitro FKAFRN CC(C)(C)c1ccc(-c2cccc(Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000014974011 220138776 /nfs/dbraw/zinc/13/87/76/220138776.db2.gz ONLUXUAFSOSYAG-UHFFFAOYSA-N 0 0 359.469 6.166 1 0 FKAFRN CC(C)(C)c1ccc(-c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000014974014 220139234 /nfs/dbraw/zinc/13/92/34/220139234.db2.gz IMSVQMAZICXWQC-UHFFFAOYSA-N 0 0 360.457 5.561 1 0 FKAFRN CC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000014974016 211108162 /nfs/dbraw/zinc/10/81/62/211108162.db2.gz BEASIIHSNRSTND-UHFFFAOYSA-N 0 0 360.457 5.561 1 0 FKAFRN CC(C)(C)c1ccc(-c2cc(Oc3ccc4c(c3)OCCO4)ncn2)cc1 ZINC000014974047 204594539 /nfs/dbraw/zinc/59/45/39/204594539.db2.gz YLZLCNQKKZEUTQ-UHFFFAOYSA-N 0 0 362.429 5.005 1 0 FKAFRN CC(C)(C)c1ccc(-c2cc(Nc3ccc4cccnc4c3)ncn2)cc1 ZINC000014974056 211108522 /nfs/dbraw/zinc/10/85/22/211108522.db2.gz OSNBQAGGOQNXAP-UHFFFAOYSA-N 0 0 354.457 5.733 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3ccc4cnccc4c3)ncn2)cc1 ZINC000014974065 211108167 /nfs/dbraw/zinc/10/81/67/211108167.db2.gz ITOOUJYTHCCASB-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3ccc4ncccc4c3)ncn2)cc1 ZINC000014974068 220138576 /nfs/dbraw/zinc/13/85/76/220138576.db2.gz TVSCHYRBYCMUIH-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3cnc4ccccc4c3)ncn2)cc1 ZINC000014974071 211108530 /nfs/dbraw/zinc/10/85/30/211108530.db2.gz QFAWXBAAZMAAPR-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3ccc4ccccc4n3)ncn2)cc1 ZINC000014974076 220139009 /nfs/dbraw/zinc/13/90/09/220139009.db2.gz XTVGLEJJISKRJQ-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3cccc4ccncc43)ncn2)cc1 ZINC000014974082 220138037 /nfs/dbraw/zinc/13/80/37/220138037.db2.gz ZLUDHHHVHKPTRK-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3cccc4cnccc43)ncn2)cc1 ZINC000014974085 211109472 /nfs/dbraw/zinc/10/94/72/211109472.db2.gz HIUCBKNFZVMJTK-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3cccc4ncccc43)ncn2)cc1 ZINC000014974088 220138447 /nfs/dbraw/zinc/13/84/47/220138447.db2.gz FDQIQFBTUAZEDG-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3cncc4ccccc43)ncn2)cc1 ZINC000014974094 207534507 /nfs/dbraw/zinc/53/45/07/207534507.db2.gz AXEITQQCYRNOAJ-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN FC(F)(F)c1ccc(-c2cc(Oc3nccc4ccccc43)ncn2)cc1 ZINC000014974097 220139304 /nfs/dbraw/zinc/13/93/04/220139304.db2.gz ZUHBJVZDIGOZKR-UHFFFAOYSA-N 0 0 367.330 5.503 1 0 FKAFRN CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1N(C)C ZINC000014974970 211111751 /nfs/dbraw/zinc/11/17/51/211111751.db2.gz FKKBPZNHBQHYDP-UHFFFAOYSA-N 0 0 356.510 5.741 1 0 FKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c43)cc2)c1 ZINC000014975362 211110098 /nfs/dbraw/zinc/11/00/98/211110098.db2.gz MIDUFBKQPOWGMC-UHFFFAOYSA-N 0 0 358.401 5.029 1 0 FKAFRN Cc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c43)cc2)cc1 ZINC000014975379 220138901 /nfs/dbraw/zinc/13/89/01/220138901.db2.gz DLYHIJZSZUMFEL-UHFFFAOYSA-N 0 0 358.401 5.029 1 0 FKAFRN Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c43)cc2)c1 ZINC000014975393 211111633 /nfs/dbraw/zinc/11/16/33/211111633.db2.gz DLPARMNJOHFOLU-UHFFFAOYSA-N 0 0 372.428 5.338 1 0 FKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C ZINC000014975744 220138674 /nfs/dbraw/zinc/13/86/74/220138674.db2.gz RSALASLNYRMGOC-UHFFFAOYSA-N 0 0 357.469 5.072 1 0 FKAFRN CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C ZINC000014975747 211110595 /nfs/dbraw/zinc/11/05/95/211110595.db2.gz IJADFXIQDFOUAG-UHFFFAOYSA-N 0 0 373.924 5.586 1 0 FKAFRN Cc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1 ZINC000014975759 220139301 /nfs/dbraw/zinc/13/93/01/220139301.db2.gz ACYBOEVFMUHYEK-UHFFFAOYSA-N 0 0 353.506 5.241 1 0 FKAFRN c1ccc(N[C@@]23CCC[C@@H]2CC(c2ccccc2)=C3c2ccccc2)cc1 ZINC000014978562 211111926 /nfs/dbraw/zinc/11/19/26/211111926.db2.gz CJJHTYXGIYNACX-GJZUVCINSA-N 0 0 351.493 6.652 1 0 FKAFRN CC(C)=CCc1cc(CCc2cc(O)c(CC=C(C)C)c(O)c2)ccc1O ZINC000015115168 220148490 /nfs/dbraw/zinc/14/84/90/220148490.db2.gz UMBTUNCDJTWDLW-UHFFFAOYSA-N 0 0 366.501 5.606 1 0 biogenic,in-vitro FKAFRN COc1cc(C)c(-c2ccc3cc(C)[nH]c(C)c-3c2=O)c2cccc(O)c12 ZINC000015121574 220147905 /nfs/dbraw/zinc/14/79/05/220147905.db2.gz LUHDTHRODISRMN-UHFFFAOYSA-N 0 0 359.425 5.400 1 0 FKAFRN CC/C=C\C/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCC(=O)OCC ZINC000015122323 211124222 /nfs/dbraw/zinc/12/42/22/211124222.db2.gz ITNKVODZACVXDS-SCBOYSNBSA-N 0 0 356.550 7.027 1 0 in-man FKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c(C(C)=O)c1O ZINC000015214307 220149009 /nfs/dbraw/zinc/14/90/09/220149009.db2.gz NUSMNXVXTBPRRY-JTCWOHKRSA-N 0 0 372.505 5.968 1 0 FKAFRN C/C(=C\CO)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000015253712 571737409 /nfs/dbraw/zinc/73/74/09/571737409.db2.gz QVAALZYWZYXTTP-XGJSTYNISA-N 0 0 364.658 8.091 1 0 endogenous,in-man FKAFRN C/C(=C\CO)CC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000015253715 571737637 /nfs/dbraw/zinc/73/76/37/571737637.db2.gz QVAALZYWZYXTTP-AFDMGGOSSA-N 0 0 364.658 8.091 1 0 endogenous,in-man FKAFRN C/C(=C\CO)CC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000015253718 571737602 /nfs/dbraw/zinc/73/76/02/571737602.db2.gz QVAALZYWZYXTTP-HLOVIFQNSA-N 0 0 364.658 8.091 1 0 endogenous,in-man FKAFRN C/C(=C\CO)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000015253721 571737340 /nfs/dbraw/zinc/73/73/40/571737340.db2.gz QVAALZYWZYXTTP-ZMLKYUJQSA-N 0 0 364.658 8.091 1 0 endogenous,in-man FKAFRN Cc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)n1 ZINC000015830269 211144186 /nfs/dbraw/zinc/14/41/86/211144186.db2.gz IAOXVFKNNABUGQ-GOSISDBHSA-N 0 0 353.878 5.461 1 0 FKAFRN Cc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 ZINC000015830271 211145627 /nfs/dbraw/zinc/14/56/27/211145627.db2.gz IAOXVFKNNABUGQ-SFHVURJKSA-N 0 0 353.878 5.461 1 0 FKAFRN Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl ZINC000016052312 211153292 /nfs/dbraw/zinc/15/32/92/211153292.db2.gz SOSAEWQXZFTNAQ-UHFFFAOYSA-N 0 0 359.252 6.277 1 0 in-vivo FKAFRN CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1 ZINC000016052868 204629456 /nfs/dbraw/zinc/62/94/56/204629456.db2.gz FQYJTHIYAQQJAB-UHFFFAOYSA-N 0 0 353.422 5.578 1 0 in-vivo FKAFRN Cc1cc(C[C@H](C)[C@H]2CC[C@@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O ZINC000017325540 211184424 /nfs/dbraw/zinc/18/44/24/211184424.db2.gz VLPXHDDRKFSEFV-FZPGNPMOSA-N 0 0 352.518 6.113 1 0 FKAFRN C[C@@H](c1ccco1)N(C(=O)C12C[C@@H]3C[C@@H](CC(C)(C3)C1)C2)c1ccccn1 ZINC000017364067 220216080 /nfs/dbraw/zinc/21/60/80/220216080.db2.gz ZHZNDVBTGVLLRG-XWARPOEQSA-N 0 0 364.489 5.375 1 0 FKAFRN C[C@H](c1ccco1)N(C(=O)C12C[C@@H]3C[C@@H](CC(C)(C3)C1)C2)c1ccccn1 ZINC000017364068 220215464 /nfs/dbraw/zinc/21/54/64/220215464.db2.gz ZHZNDVBTGVLLRG-UIHBLGAPSA-N 0 0 364.489 5.375 1 0 FKAFRN ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3[C@]1(Cl)C2(Cl)Cl ZINC000017528066 211186442 /nfs/dbraw/zinc/18/64/42/211186442.db2.gz QBYJBZPUGVGKQQ-UWMJKZJFSA-N 0 0 364.914 5.270 1 0 FKAFRN CC1=C(C(=O)O[C@H]2C[C@H](C)CC[C@H]2C(C)C)C(=O)C(c2ccccc2)N1 ZINC000019118684 220236259 /nfs/dbraw/zinc/23/62/59/220236259.db2.gz PFCVPDHSSAWHDG-JLSDUUJJSA-N 0 0 355.478 5.313 1 0 FKAFRN CC1=C(C(=O)O[C@H]2C[C@@H](C)CC[C@H]2C(C)C)C(=O)C(c2ccccc2)N1 ZINC000019118689 220236065 /nfs/dbraw/zinc/23/60/65/220236065.db2.gz PFCVPDHSSAWHDG-WBAXXEDZSA-N 0 0 355.478 5.313 1 0 FKAFRN Fc1ccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020182029 220318452 /nfs/dbraw/zinc/31/84/52/220318452.db2.gz OOVUAGVIWZOMKL-UHFFFAOYSA-N 0 0 372.325 5.298 1 0 FKAFRN O=C(Nc1n[nH]cc1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000020320395 207732588 /nfs/dbraw/zinc/73/25/88/207732588.db2.gz ORQKPSJOHXHGGG-UHFFFAOYSA-N 0 0 365.742 5.001 1 0 FKAFRN CC(C)c1ccc(-c2nc3ncccn3c2NCc2ccc(F)cc2)cc1 ZINC000021631564 220361158 /nfs/dbraw/zinc/36/11/58/220361158.db2.gz NWDDQCSPFZMFGJ-UHFFFAOYSA-N 0 0 360.436 5.271 1 0 FKAFRN COc1ccc2sc(C(=O)N3CCCc4cc(C)ccc43)c(Cl)c2c1 ZINC000023328275 136152616 /nfs/dbraw/zinc/15/26/16/136152616.db2.gz PTQBNAQCZRUOCQ-UHFFFAOYSA-N 0 0 371.889 5.465 1 0 FKAFRN Clc1cc(Cl)cc(-c2nc[nH]c2-c2cc(Cl)cc(Cl)c2)c1 ZINC000025977922 211437831 /nfs/dbraw/zinc/43/78/31/211437831.db2.gz SKLDETUXSSHYRZ-UHFFFAOYSA-N 0 0 358.055 6.357 1 0 FKAFRN CC(C)c1ccc([C@@H](Sc2ccccc2)c2ccccc2)c(O)c(=O)c1 ZINC000025979619 204844167 /nfs/dbraw/zinc/84/41/67/204844167.db2.gz SYDZALAMYVWKAV-QHCPKHFHSA-N 0 0 362.494 5.758 1 0 FKAFRN CCCCC[C@@H](O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000025987683 207904320 /nfs/dbraw/zinc/90/43/20/207904320.db2.gz KOFXOCZOOZGDDT-LJQANCHMSA-N 0 0 352.396 5.898 1 0 FKAFRN CCCCC[C@H](O)c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000025987690 211440354 /nfs/dbraw/zinc/44/03/54/211440354.db2.gz KOFXOCZOOZGDDT-IBGZPJMESA-N 0 0 352.396 5.898 1 0 FKAFRN CC(C)(C)C(=O)Oc1ccc(Cc2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000026005552 204845567 /nfs/dbraw/zinc/84/55/67/204845567.db2.gz MBZGWECUKIAMKJ-UHFFFAOYSA-N 0 0 368.473 5.180 1 0 FKAFRN CC(C)(C)C(=O)Oc1ccc(Oc2ccc(OC(=O)C(C)(C)C)cc2)cc1 ZINC000026007041 211439960 /nfs/dbraw/zinc/43/99/60/211439960.db2.gz NWTOVVOKYBGBFD-UHFFFAOYSA-N 0 0 370.445 5.382 1 0 FKAFRN CC/C(=C(\Cc1ccccc1)c1ccc(OCN(C)C)cc1)c1ccccc1 ZINC000026017347 581094636 /nfs/dbraw/zinc/09/46/36/581094636.db2.gz RZVFVMWDPSDCTJ-QPLCGJKRSA-N 0 0 371.524 6.148 1 0 FKAFRN CCCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl ZINC000026019882 220501621 /nfs/dbraw/zinc/50/16/21/220501621.db2.gz UKYLGSCNJDQDTF-UHFFFAOYSA-N 0 0 367.487 5.403 1 0 FKAFRN CCCOc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl ZINC000026019891 220502866 /nfs/dbraw/zinc/50/28/66/220502866.db2.gz RPKSXUFVWGFTSZ-UHFFFAOYSA-N 0 0 353.460 5.013 1 0 FKAFRN CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OCC)c1Cl ZINC000026020318 211439595 /nfs/dbraw/zinc/43/95/95/211439595.db2.gz ZSVHCOLEAHZYRG-UHFFFAOYSA-N 0 0 353.460 5.013 1 0 FKAFRN CCC(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(OC)c1-2 ZINC000026174984 207910624 /nfs/dbraw/zinc/91/06/24/207910624.db2.gz DYDOIAFFGMROAL-QHCPKHFHSA-N 0 0 359.425 5.193 1 0 FKAFRN CCCCNc1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000026177593 220508318 /nfs/dbraw/zinc/50/83/18/220508318.db2.gz CRPIGQGKGVLONI-UHFFFAOYSA-N 0 0 363.292 5.532 1 0 FKAFRN Nc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1 ZINC000026266757 581098349 /nfs/dbraw/zinc/09/83/49/581098349.db2.gz OWDYYQABYMVBBC-UHFFFAOYSA-N 0 0 370.456 5.588 1 0 FKAFRN Clc1ccc(/C(=C/n2cncn2)OC2CCCCCC2)c(Cl)c1 ZINC000026268481 211444489 /nfs/dbraw/zinc/44/44/89/211444489.db2.gz MCFUZENKBROVSI-YVLHZVERSA-N 0 0 352.265 5.280 1 0 FKAFRN Nc1ncnc2c1c(-c1ccccc1Oc1ccccc1)cn2C1CCCC1 ZINC000026271750 581098441 /nfs/dbraw/zinc/09/84/41/581098441.db2.gz PAHKLGUKLSFIBQ-UHFFFAOYSA-N 0 0 370.456 5.588 1 0 FKAFRN CC[C@]12CCCn3ccc(c31)-c1cc(Br)ccc1NC(=O)CC2 ZINC000026273917 211443791 /nfs/dbraw/zinc/44/37/91/211443791.db2.gz IXGQDLPIOLESBT-LJQANCHMSA-N 0 0 373.294 5.092 1 0 FKAFRN CCCCCCc1oncc1C(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000026281749 220507091 /nfs/dbraw/zinc/50/70/91/220507091.db2.gz SDAHPIOXSQDXBF-UHFFFAOYSA-N 0 0 372.412 5.484 1 0 FKAFRN FC(F)(F)Oc1ccc(NC(=S)c2cnoc2C2CCCCC2)cc1 ZINC000026286261 204849246 /nfs/dbraw/zinc/84/92/46/204849246.db2.gz PEXKYQDXFOAMNC-UHFFFAOYSA-N 0 0 370.396 5.409 1 0 FKAFRN CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000026386645 204849603 /nfs/dbraw/zinc/84/96/03/204849603.db2.gz DAXMFHJYAYLAJM-RKFWHAEISA-N 0 0 373.581 5.081 1 0 FKAFRN CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000026388111 211446247 /nfs/dbraw/zinc/44/62/47/211446247.db2.gz UIRGBYWISWGYEM-FHVMYUNFSA-N 0 0 373.581 5.081 1 0 FKAFRN CCCC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 ZINC000026399300 220510643 /nfs/dbraw/zinc/51/06/43/220510643.db2.gz BSLOMKUASXBGCY-UHFFFAOYSA-N 0 0 350.245 5.475 1 0 FKAFRN C[C@H](c1ccccc1)n1c2ccccc2c2c1nc(-c1ccccc1)[nH]c2=O ZINC000026503851 207916904 /nfs/dbraw/zinc/91/69/04/207916904.db2.gz UPQOPYSTTKIBAT-MRXNPFEDSA-N 0 0 365.436 5.154 1 0 FKAFRN O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccccc1Cl ZINC000026569706 211450369 /nfs/dbraw/zinc/45/03/69/211450369.db2.gz DYTZQGFDLBNWKB-OAHLLOKOSA-N 0 0 368.839 5.140 1 0 FKAFRN O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccc(Cl)cc1 ZINC000026570400 211450848 /nfs/dbraw/zinc/45/08/48/211450848.db2.gz RNSIEHCQSNGUMF-OAHLLOKOSA-N 0 0 368.839 5.140 1 0 FKAFRN O=Cc1nn(-c2ccccc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026573108 204853007 /nfs/dbraw/zinc/85/30/07/204853007.db2.gz GLIWIXDOLORLPZ-HXUWFJFHSA-N 0 0 366.464 5.501 1 0 FKAFRN COc1ccc(SC(=O)C(C)(C)C)c(NC(=O)C2(C)CCCCC2)c1 ZINC000026576326 204852415 /nfs/dbraw/zinc/85/24/15/204852415.db2.gz BNYROURFNSYQNQ-UHFFFAOYSA-N 0 0 363.523 5.269 1 0 FKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000026578978 211449696 /nfs/dbraw/zinc/44/96/96/211449696.db2.gz HKKQIJXFSLFFQQ-UHFFFAOYSA-N 0 0 352.522 6.875 1 0 FKAFRN O=c1oc2ccccc2c2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000026638587 220519005 /nfs/dbraw/zinc/51/90/05/220519005.db2.gz HYJSBIKGEFBBQJ-UHFFFAOYSA-N 0 0 371.823 6.057 1 0 FKAFRN CCOC(=O)c1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1 ZINC000026646354 204853885 /nfs/dbraw/zinc/85/38/85/204853885.db2.gz NRXVRNHRRJNYFV-UHFFFAOYSA-N 0 0 368.436 5.587 1 0 FKAFRN COc1ccc(-n2cc(-c3ccccc3)c3c2c2ccccc2oc3=O)cc1 ZINC000026648997 211452565 /nfs/dbraw/zinc/45/25/65/211452565.db2.gz GAHULDWRTHIQSW-UHFFFAOYSA-N 0 0 367.404 5.413 1 0 FKAFRN C[C@H](CO)[C@H]1CC[C@@H]2/C(=C/C=C3CCC4(CC3)OCCO4)CCC[C@]12C ZINC000026653048 207919979 /nfs/dbraw/zinc/91/99/79/207919979.db2.gz CYPXZNOVNNOREM-IHDASUJXSA-N 0 0 360.538 5.001 1 0 FKAFRN CC1=CC(C)(C)Nc2cc3c(cc21)-c1ccc(Br)cc1[C@H]3C ZINC000026654826 220519846 /nfs/dbraw/zinc/51/98/46/220519846.db2.gz IBWSBFRDGVOTMF-GFCCVEGCSA-N 0 0 354.291 6.189 1 0 FKAFRN S=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1 ZINC000026655736 220519040 /nfs/dbraw/zinc/51/90/40/220519040.db2.gz LODKNPWLMHMIRL-UHFFFAOYSA-N 0 0 350.874 6.068 1 0 FKAFRN CC(C)(C)c1cc(-c2cc(-c3ccc(O)cc3)[nH]n2)cc(C(C)(C)C)c1O ZINC000026656912 211451787 /nfs/dbraw/zinc/45/17/87/211451787.db2.gz SPQGGMJLWRHJLS-UHFFFAOYSA-N 0 0 364.489 5.750 1 0 FKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(F)cc(F)c1 ZINC000026660310 207919516 /nfs/dbraw/zinc/91/95/16/207919516.db2.gz YOCZJCBJFXUHTO-UHFFFAOYSA-N 0 0 356.372 5.248 1 0 FKAFRN S=c1[nH]c2cc(-c3cccc(Cl)c3)ccc2n1Cc1ccccc1 ZINC000026663728 220519261 /nfs/dbraw/zinc/51/92/61/220519261.db2.gz ORFNUVUYIRTZOK-UHFFFAOYSA-N 0 0 350.874 6.068 1 0 FKAFRN CCCC(=O)c1cnc2c(C)cccc2c1Nc1cc(OC)ccc1OC ZINC000026665091 207920874 /nfs/dbraw/zinc/92/08/74/207920874.db2.gz ULWOXMFJDIWLJE-UHFFFAOYSA-N 0 0 364.445 5.287 1 0 FKAFRN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000026666317 204854344 /nfs/dbraw/zinc/85/43/44/204854344.db2.gz SMCXBKOIWAKVBJ-UHFFFAOYSA-N 0 0 366.870 5.130 1 0 FKAFRN CC1=CC[C@H]2[C@@H](C1)c1c(O)cc([C@@H](C)[C@@H](C)C3CCCC3)cc1OC2(C)C ZINC000026667389 204853869 /nfs/dbraw/zinc/85/38/69/204853869.db2.gz USDMFBBEDJJVQK-OVQGTLEDSA-N 0 0 368.561 6.933 1 0 FKAFRN Cc1cc(CCCOc2c(C)cc(-c3cccc(Cl)c3)cc2C)on1 ZINC000026674564 220518524 /nfs/dbraw/zinc/51/85/24/220518524.db2.gz 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CC(=O)Oc1c(C(C)C)c(-c2ccc(F)cc2)c(O)c(C(C)C)c1C(C)C ZINC000026748963 220522519 /nfs/dbraw/zinc/52/25/19/220522519.db2.gz WKDLTMZUSCLYDR-UHFFFAOYSA-N 0 0 372.480 6.494 1 0 FKAFRN CCCCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCO ZINC000026829774 211453076 /nfs/dbraw/zinc/45/30/76/211453076.db2.gz GRPWUOMZDOTPOW-QNEBEIHSSA-N 0 0 363.586 5.855 1 0 FKAFRN C[C@@H]1CC=C([C@@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000026848671 204856352 /nfs/dbraw/zinc/85/63/52/204856352.db2.gz JPPODZMGZNOWLX-QRWLVFNGSA-N 0 0 357.291 6.316 1 0 FKAFRN C[C@H]1CC=C([C@H](Oc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000026848677 211455699 /nfs/dbraw/zinc/45/56/99/211455699.db2.gz JPPODZMGZNOWLX-MGPUTAFESA-N 0 0 357.291 6.316 1 0 FKAFRN CCCN(c1nc(-c2c(C)cc(C)cc2C)n(CC)n1)C(C1CC1)C1CC1 ZINC000026936689 207924012 /nfs/dbraw/zinc/92/40/12/207924012.db2.gz RRSPPQFSQXBICX-UHFFFAOYSA-N 0 0 366.553 5.295 1 0 FKAFRN COC(=O)c1cccc2oc(-c3cccc4oc(-c5ccccc5)nc43)nc21 ZINC000026968570 204858471 /nfs/dbraw/zinc/85/84/71/204858471.db2.gz FROOINYHUVLXOX-UHFFFAOYSA-N 0 0 370.364 5.090 1 0 FKAFRN Oc1cccc([C@@H]([C@@H](c2cccc(O)c2)C(F)(F)F)C(F)(F)F)c1 ZINC000026975800 207925491 /nfs/dbraw/zinc/92/54/91/207925491.db2.gz WBMFKTNARZVIHV-OKILXGFUSA-N 0 0 350.258 5.090 1 0 FKAFRN CCCCCc1cc2c(c3c1CCCO3)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2 ZINC000026983714 207926484 /nfs/dbraw/zinc/92/64/84/207926484.db2.gz ZSWRBXLXOXOSOJ-UXHICEINSA-N 0 0 354.534 6.355 1 0 FKAFRN CCCCCc1cc2c(c3c1CCCO3)[C@H]1C[C@H](O)CC[C@H]1C(C)(C)O2 ZINC000026985198 207925753 /nfs/dbraw/zinc/92/57/53/207925753.db2.gz QXPMAJJUKZJCEC-NZSAHSFTSA-N 0 0 358.522 5.160 1 0 FKAFRN CCCC[C@@H]1Oc2ccc(OC)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000026994448 204858766 /nfs/dbraw/zinc/85/87/66/204858766.db2.gz NBYXOMZEWLMKJB-NRFANRHFSA-N 0 0 363.501 6.593 1 0 FKAFRN CCCCCC[C@H]1Oc2ccccc2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000027078618 204858594 /nfs/dbraw/zinc/85/85/94/204858594.db2.gz GFRGGNGHBUJYSJ-JOCHJYFZSA-N 0 0 361.529 7.365 1 0 FKAFRN 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360.848 5.068 1 0 FKAFRN CCCCc1nc2cc(Cl)ccc2c2nc(-c3ccc(Cl)cc3)nn21 ZINC000027210250 207928555 /nfs/dbraw/zinc/92/85/55/207928555.db2.gz UAEQEDBUYPTJIP-UHFFFAOYSA-N 0 0 371.271 5.594 1 0 FKAFRN C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1 ZINC000027423349 220534985 /nfs/dbraw/zinc/53/49/85/220534985.db2.gz QJVGPUYCCNEQKK-BCFYGZNGSA-N 0 0 369.549 5.534 1 0 FKAFRN Cc1c(C(=O)c2ccc(N(C)C)cc2)oc2cc(-c3ccccc3)cc(O)c12 ZINC000027523525 204864118 /nfs/dbraw/zinc/86/41/18/204864118.db2.gz WYDKFTRFZVZYKP-UHFFFAOYSA-N 0 0 371.436 5.411 1 0 FKAFRN Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3c2cccc3O)cc1 ZINC000027549870 220536867 /nfs/dbraw/zinc/53/68/67/220536867.db2.gz OOGFAESEDQRTJM-UHFFFAOYSA-N 0 0 366.416 5.167 1 0 FKAFRN Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3Oc3ccccc32)cc1 ZINC000027551190 211464875 /nfs/dbraw/zinc/46/48/75/211464875.db2.gz VSUZTQMVKLEOPM-UHFFFAOYSA-N 0 0 366.416 5.586 1 0 FKAFRN CC(C)COC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027556251 220536916 /nfs/dbraw/zinc/53/69/16/220536916.db2.gz VWCLCSNGYMXSLD-DJIMGWMZSA-N 0 0 360.519 5.084 1 0 FKAFRN CC(C)COC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027556253 207933724 /nfs/dbraw/zinc/93/37/24/207933724.db2.gz VWCLCSNGYMXSLD-UAGQMJEPSA-N 0 0 360.519 5.084 1 0 FKAFRN CC(C)COC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027556254 220537205 /nfs/dbraw/zinc/53/72/05/220537205.db2.gz VWCLCSNGYMXSLD-OIISXLGYSA-N 0 0 360.519 5.084 1 0 FKAFRN CCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O ZINC000027556258 207932513 /nfs/dbraw/zinc/93/25/13/207932513.db2.gz OBCLUYQALDBUAD-DJIMGWMZSA-N 0 0 360.519 5.228 1 0 FKAFRN CCCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027556260 204863793 /nfs/dbraw/zinc/86/37/93/204863793.db2.gz OBCLUYQALDBUAD-UAGQMJEPSA-N 0 0 360.519 5.228 1 0 FKAFRN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CCCC)C[C@@H]21 ZINC000027630222 207936708 /nfs/dbraw/zinc/93/67/08/207936708.db2.gz SNJBVPORAMXGQE-WOJBJXKFSA-N 0 0 356.550 6.906 1 0 FKAFRN 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CCn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccccc2)n2ccnc2)c1 ZINC000028466218 211489412 /nfs/dbraw/zinc/48/94/12/211489412.db2.gz JZPSHINULHRCBT-JOCHJYFZSA-N 0 0 361.876 5.663 1 0 FKAFRN CCn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccccc2)n2ccnc2)c1 ZINC000028466222 204883330 /nfs/dbraw/zinc/88/33/30/204883330.db2.gz JZPSHINULHRCBT-QFIPXVFZSA-N 0 0 361.876 5.663 1 0 FKAFRN CC(=O)CC[C@H](O)[C@@](C)(O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000028466575 220576996 /nfs/dbraw/zinc/57/69/96/220576996.db2.gz ZRUJYEUVZNHJMG-HDAABJHUSA-N 0 0 360.538 5.053 1 0 FKAFRN C=Cn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccccc2)n2ccnc2)c1 ZINC000028467662 204882040 /nfs/dbraw/zinc/88/20/40/204882040.db2.gz QSZFONROKILZDE-QFIPXVFZSA-N 0 0 359.860 5.743 1 0 FKAFRN CC(C)(C)c1ccc([C@@H]2NCc3c(Cl)cccc3-n3cccc32)cc1 ZINC000028467685 204882488 /nfs/dbraw/zinc/88/24/88/204882488.db2.gz SCANTWNKVLLUST-NRFANRHFSA-N 0 0 350.893 5.621 1 0 FKAFRN Cc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)cc1 ZINC000028470975 220576383 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CCOc1ccc(-n2c(C)c3c(c2C)c(C2CCCCC2)nnc3C)cc1 ZINC000028758815 211498028 /nfs/dbraw/zinc/49/80/28/211498028.db2.gz NBNBHFSNUWEJTM-UHFFFAOYSA-N 0 0 363.505 5.792 1 0 FKAFRN Clc1ccc2ccc(-c3c[nH]c4ccc(Br)cc43)nc2c1 ZINC000028760358 211496794 /nfs/dbraw/zinc/49/67/94/211496794.db2.gz KVTZSXMIYLRWCJ-UHFFFAOYSA-N 0 0 357.638 5.799 1 0 FKAFRN C=C(c1cc(Cl)ccc1O[C@H](C)c1ccc(Cl)cc1)n1ccnc1 ZINC000028767130 220584385 /nfs/dbraw/zinc/58/43/85/220584385.db2.gz ATDCAUDMJPLMIB-CQSZACIVSA-N 0 0 359.256 5.849 1 0 FKAFRN Cc1c2cc(O)ccc2n(Cc2cccc(Cl)c2)c1-c1ccc(O)cc1 ZINC000028767847 207973685 /nfs/dbraw/zinc/97/36/85/207973685.db2.gz HKTYEDMRJSGEQF-UHFFFAOYSA-N 0 0 363.844 5.730 1 0 FKAFRN CC(C)c1ccc(/C(=C\C[C@@H]([NH3+])C(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000028769765 204887858 /nfs/dbraw/zinc/88/78/58/204887858.db2.gz SBHYREVKOXXNLS-QJUACMODSA-N 0 0 365.517 5.341 1 0 FKAFRN CCNC(=O)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 ZINC000028818352 207975652 /nfs/dbraw/zinc/97/56/52/207975652.db2.gz 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372.177 5.319 1 0 FKAFRN Clc1cccc(-c2nncn2Cc2cccc3ccccc32)c1Cl ZINC000028897915 207977723 /nfs/dbraw/zinc/97/77/23/207977723.db2.gz IQWPGHVLMKJIRT-UHFFFAOYSA-N 0 0 354.240 5.453 1 0 FKAFRN FC(F)(F)c1cccc(Cn2cnnc2-c2cccc(Cl)c2Cl)c1 ZINC000028898088 204891759 /nfs/dbraw/zinc/89/17/59/204891759.db2.gz CVZFLMXFDBHDBT-UHFFFAOYSA-N 0 0 372.177 5.319 1 0 FKAFRN CCOc1cc2ncnc(/C=C/CCCc3ccccc3)c2cc1OCC ZINC000028951231 581095184 /nfs/dbraw/zinc/09/51/84/581095184.db2.gz QLOYTAAAUVDJCT-GXDHUFHOSA-N 0 0 362.473 5.463 1 0 in-vivo FKAFRN O=C(Nc1ccccc1N1CCCCC1)c1ccc(Nc2ccccc2)o1 ZINC000028960867 132919370 /nfs/dbraw/zinc/91/93/70/132919370.db2.gz PSXOTQPOCOGENV-UHFFFAOYSA-N 0 0 361.445 5.266 1 0 FKAFRN Brc1cc(Br)cc(-c2nc3ccccc3o2)c1 ZINC000028964529 220590211 /nfs/dbraw/zinc/59/02/11/220590211.db2.gz YSTYYRMWFJMZPX-UHFFFAOYSA-N 0 0 353.013 5.020 1 0 FKAFRN CN1CCCc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)ccc21 ZINC000028972794 136153609 /nfs/dbraw/zinc/15/36/09/136153609.db2.gz JQDQZOXTHDIVIV-UHFFFAOYSA-N 0 0 366.848 5.235 1 0 FKAFRN CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2C)c2ccccc21 ZINC000029037800 211502400 /nfs/dbraw/zinc/50/24/00/211502400.db2.gz YUDIHEXNERTCPY-UHFFFAOYSA-N 0 0 366.936 6.798 1 0 FKAFRN CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)c2ccccc21 ZINC000029037814 211502878 /nfs/dbraw/zinc/50/28/78/211502878.db2.gz UGUKLRPQTRXJEY-UHFFFAOYSA-N 0 0 362.517 6.154 1 0 FKAFRN CC(C)(C)c1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000029040508 204893516 /nfs/dbraw/zinc/89/35/16/204893516.db2.gz FJCXWFMCAVFBFB-UHFFFAOYSA-N 0 0 351.368 5.178 1 0 FKAFRN CC(C)Nc1nc2ccc(-c3ccnn3-c3ccc(F)cc3)cc2s1 ZINC000029041786 220593348 /nfs/dbraw/zinc/59/33/48/220593348.db2.gz BIJIVHNRMIICQA-UHFFFAOYSA-N 0 0 352.438 5.108 1 0 FKAFRN CC(C)Nc1nc2ccc(-c3ccnn3-c3ccccc3F)cc2s1 ZINC000029041790 207981812 /nfs/dbraw/zinc/98/18/12/207981812.db2.gz VKGOHICTEUCPDF-UHFFFAOYSA-N 0 0 352.438 5.108 1 0 FKAFRN CC[C@@H](C)Nc1nc2ccc(-c3nc[nH]c3-c3ccccc3F)cc2s1 ZINC000029041803 581095393 /nfs/dbraw/zinc/09/53/93/581095393.db2.gz 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/nfs/dbraw/zinc/01/10/76/205011076.db2.gz OSWKKNRDEUPZPK-UHFFFAOYSA-N 0 0 356.429 5.207 1 0 FKAFRN Cc1cccc(CNc2ncnc3ccc(-c4cccc(Cl)c4)cc32)c1 ZINC000036380602 220815729 /nfs/dbraw/zinc/81/57/29/220815729.db2.gz UOHKIMVQPLBPJL-UHFFFAOYSA-N 0 0 359.860 5.871 1 0 FKAFRN Fc1cccc(CNc2ncnc3ccc(-c4ccccc4Cl)cc32)c1 ZINC000036380641 208160025 /nfs/dbraw/zinc/16/00/25/208160025.db2.gz PCUFEAZRWQZSOW-UHFFFAOYSA-N 0 0 363.823 5.701 1 0 FKAFRN COc1ccc(-c2nc(-c3ccccc3)oc2N[C@@H](C)c2ccccc2)cc1 ZINC000036381625 208159511 /nfs/dbraw/zinc/15/95/11/208159511.db2.gz UPCUPJFKCHHSOB-KRWDZBQOSA-N 0 0 370.452 6.190 1 0 FKAFRN Cc1ccccc1Nc1oc(-c2ccccc2)nc1/C=C/c1ccccc1 ZINC000036381633 205013303 /nfs/dbraw/zinc/01/33/03/205013303.db2.gz CXMOGNBPOSKCFY-WUKNDPDISA-N 0 0 352.437 6.564 1 0 FKAFRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)OCc1ccccc1 ZINC000036453335 205016081 /nfs/dbraw/zinc/01/60/81/205016081.db2.gz HERDSLDSVRSEBR-UHFFFAOYSA-N 0 0 362.360 5.383 1 0 FKAFRN CC1(C)C[C@H](NC(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2O1 ZINC000036473089 205016355 /nfs/dbraw/zinc/01/63/55/205016355.db2.gz IKNQZHCMDQZSRM-HNNXBMFYSA-N 0 0 365.260 5.417 1 0 FKAFRN CC1(C)C[C@@H](NC(=O)Nc2ccccc2Cl)c2cc(Cl)ccc2O1 ZINC000036473090 205016248 /nfs/dbraw/zinc/01/62/48/205016248.db2.gz IKNQZHCMDQZSRM-OAHLLOKOSA-N 0 0 365.260 5.417 1 0 FKAFRN Cc1sc(C(=O)CCc2cc(C)c(O)c(C)c2)c2c1CC(C)(C)CC2 ZINC000036477994 205015955 /nfs/dbraw/zinc/01/59/55/205015955.db2.gz DNOUMIIJEFXPEV-UHFFFAOYSA-N 0 0 356.531 5.709 1 0 FKAFRN CC[C@]1(c2ccc(F)cc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F ZINC000036479987 208164937 /nfs/dbraw/zinc/16/49/37/208164937.db2.gz DLOULBRPXHNRCM-KRWDZBQOSA-N 0 0 370.321 5.028 1 0 FKAFRN CCC[C@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F ZINC000036487311 208163358 /nfs/dbraw/zinc/16/33/58/208163358.db2.gz PRJKMVXKGQYDTK-SFHVURJKSA-N 0 0 366.358 5.279 1 0 FKAFRN CCC[C@@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F ZINC000036487312 205016227 /nfs/dbraw/zinc/01/62/27/205016227.db2.gz PRJKMVXKGQYDTK-GOSISDBHSA-N 0 0 366.358 5.279 1 0 FKAFRN CC[C@]1(c2ccccc2)c2c(F)c(F)ccc2NC(=O)N1CC(F)(F)F ZINC000036487321 208163234 /nfs/dbraw/zinc/16/32/34/208163234.db2.gz MAXRGTBWPFFQRF-KRWDZBQOSA-N 0 0 370.321 5.028 1 0 FKAFRN CC[C@@]1(c2ccccc2)c2c(F)c(F)ccc2NC(=O)N1CC(F)(F)F ZINC000036487322 208164607 /nfs/dbraw/zinc/16/46/07/208164607.db2.gz MAXRGTBWPFFQRF-QGZVFWFLSA-N 0 0 370.321 5.028 1 0 FKAFRN CC[C@]1(c2ccccc2)c2c(F)ccc(F)c2NC(=O)N1CC(F)(F)F ZINC000036487559 211667954 /nfs/dbraw/zinc/66/79/54/211667954.db2.gz ZADAQIMZGJWCPT-KRWDZBQOSA-N 0 0 370.321 5.028 1 0 FKAFRN CCCC[C@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000036488257 211668394 /nfs/dbraw/zinc/66/83/94/211668394.db2.gz XXZFRIHMYZXKQE-INIZCTEOSA-N 0 0 360.807 5.545 1 0 FKAFRN COc1ccc(-c2nc(-c3ccccc3)oc2N[C@H](C)c2ccccc2)cc1 ZINC000038142232 208197803 /nfs/dbraw/zinc/19/78/03/208197803.db2.gz UPCUPJFKCHHSOB-QGZVFWFLSA-N 0 0 370.452 6.190 1 0 FKAFRN CSc1ccc(-c2nc(-c3cccc(N)c3)c(-c3ccncc3)[nH]2)cc1 ZINC000038143310 208198744 /nfs/dbraw/zinc/19/87/44/208198744.db2.gz GQFFLNUYIXPHTE-UHFFFAOYSA-N 0 0 358.470 5.110 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CC ZINC000038146508 220848514 /nfs/dbraw/zinc/84/85/14/220848514.db2.gz FSBHLSINBYYIIF-UMWFZMJJSA-N 0 0 359.598 7.047 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N[C@H](C)CC ZINC000038146524 220848654 /nfs/dbraw/zinc/84/86/54/220848654.db2.gz FSBHLSINBYYIIF-DITFXSEUSA-N 0 0 359.598 7.047 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC[C@@H](C)O ZINC000038146533 220849321 /nfs/dbraw/zinc/84/93/21/220849321.db2.gz HTNMZCWZEMNFCR-VUXFYNJCSA-N 0 0 361.570 5.629 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC(C)C ZINC000038146545 205038351 /nfs/dbraw/zinc/03/83/51/205038351.db2.gz JDJGPYKZQFCHTJ-AIBIWWTJSA-N 0 0 359.598 6.904 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(C)CCO ZINC000038146555 208199219 /nfs/dbraw/zinc/19/92/19/208199219.db2.gz DZOXWGMUPHVUCW-FFTKBTNWSA-N 0 0 361.570 5.583 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCC ZINC000038146623 205038145 /nfs/dbraw/zinc/03/81/45/205038145.db2.gz SVGIWYPVOLFGAQ-DITFXSEUSA-N 0 0 359.598 6.904 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@@H](C)C(=O)NCCO ZINC000038146665 205039127 /nfs/dbraw/zinc/03/91/27/205039127.db2.gz POPPPMLPRVFFPI-VUXFYNJCSA-N 0 0 361.570 5.487 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCC ZINC000038146678 205038197 /nfs/dbraw/zinc/03/81/97/205038197.db2.gz UFBCBSNKWKPSRJ-LUDVVXGUSA-N 0 0 359.598 7.048 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCO ZINC000038146682 208199329 /nfs/dbraw/zinc/19/93/29/208199329.db2.gz KFUGLIFIBPAGFC-MLFLMRJSSA-N 0 0 361.570 5.631 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NC(C)(C)CC ZINC000038146694 220848659 /nfs/dbraw/zinc/84/86/59/220848659.db2.gz LWMKFJMMWYARBR-CVLOBQTISA-N 0 0 373.625 7.437 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCOC(=O)NCC ZINC000038146706 205038256 /nfs/dbraw/zinc/03/82/56/205038256.db2.gz CIXKMOKCEUDUJA-AIBIWWTJSA-N 0 0 361.570 6.878 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NCCC ZINC000038146744 208198956 /nfs/dbraw/zinc/19/89/56/208198956.db2.gz GWYNSOMCLKQLNL-AIBIWWTJSA-N 0 0 360.586 6.451 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NC(C)C ZINC000038146750 205038393 /nfs/dbraw/zinc/03/83/93/205038393.db2.gz WBSLDSCOACRTJM-AIBIWWTJSA-N 0 0 360.586 6.450 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)NCCO ZINC000038146756 208200203 /nfs/dbraw/zinc/20/02/03/208200203.db2.gz UTJXDMXYAUJWRW-MLFLMRJSSA-N 0 0 362.558 5.034 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCNC(=O)OC(C)C ZINC000038146774 205039207 /nfs/dbraw/zinc/03/92/07/205039207.db2.gz IZTAVISPABGUMJ-AIBIWWTJSA-N 0 0 361.570 6.877 1 0 FKAFRN Cc1cccnc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000038149539 205038243 /nfs/dbraw/zinc/03/82/43/205038243.db2.gz GLRHZCQPTZJNDY-UHFFFAOYSA-N 0 0 367.246 5.072 1 0 FKAFRN Cc1cccnc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000038149540 205038319 /nfs/dbraw/zinc/03/83/19/205038319.db2.gz MNOJJLPECUCOCM-UHFFFAOYSA-N 0 0 372.346 5.208 1 0 FKAFRN Fc1ccc(-c2nccc(Sc3ccc(Cl)c(Cl)c3)n2)nc1 ZINC000038156548 205038732 /nfs/dbraw/zinc/03/87/32/205038732.db2.gz WIVNCNFPFSEZJX-UHFFFAOYSA-N 0 0 352.221 5.136 1 0 FKAFRN Cc1ccc(-c2nc3ccc(-c4ncccc4C(F)(F)F)cc3[nH]2)cc1 ZINC000038156651 208198465 /nfs/dbraw/zinc/19/84/65/208198465.db2.gz GNJRIIPXLQFRMY-UHFFFAOYSA-N 0 0 353.347 5.619 1 0 FKAFRN Cc1cccnc1-c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000038156654 208198701 /nfs/dbraw/zinc/19/87/01/208198701.db2.gz MKXNDOBTTLYFNU-UHFFFAOYSA-N 0 0 356.347 5.328 1 0 FKAFRN Cc1cccnc1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000038156658 205038130 /nfs/dbraw/zinc/03/81/30/205038130.db2.gz NQMYCACQOTUGND-UHFFFAOYSA-N 0 0 356.347 5.328 1 0 FKAFRN CCC/C=C(\CCC)[C@H](NC(=O)C(C)(C)C)c1ccc(C(=O)OC)cc1 ZINC000038179201 208200633 /nfs/dbraw/zinc/20/06/33/208200633.db2.gz RMLWMIFCPNWELL-SKTWIKFTSA-N 0 0 359.510 5.203 1 0 FKAFRN CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccco1)c1ccccc1C(F)(F)F ZINC000038179247 208202376 /nfs/dbraw/zinc/20/23/76/208202376.db2.gz FZALWCVKBMQFFE-DDUZABMNSA-N 0 0 365.395 5.596 1 0 FKAFRN Cc1cc(-c2cccc3cc[nH]c32)c(Cl)c2c1NC(C)(C)[C@H](O)C2(C)C ZINC000038214969 211699628 /nfs/dbraw/zinc/69/96/28/211699628.db2.gz VWTXAIVZMCQYKU-HXUWFJFHSA-N 0 0 368.908 5.639 1 0 FKAFRN Cc1cc(-c2cccc3cc[nH]c32)c(Cl)c2c1NC(C)(C)[C@@H](O)C2(C)C ZINC000038214970 208201680 /nfs/dbraw/zinc/20/16/80/208201680.db2.gz VWTXAIVZMCQYKU-FQEVSTJZSA-N 0 0 368.908 5.639 1 0 FKAFRN C[C@]12CC[C@@H]3c4cc(CCc5ccccc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000038215096 220850857 /nfs/dbraw/zinc/85/08/57/220850857.db2.gz REXBXHWOZHMVGH-HPJLMOCUSA-N 0 0 374.524 5.603 1 0 FKAFRN CC1(C)C[C@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000038224588 205039798 /nfs/dbraw/zinc/03/97/98/205039798.db2.gz XCNTZWMMYVKZPH-HNNXBMFYSA-N 0 0 365.260 5.417 1 0 FKAFRN CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000038224589 211699261 /nfs/dbraw/zinc/69/92/61/211699261.db2.gz XCNTZWMMYVKZPH-OAHLLOKOSA-N 0 0 365.260 5.417 1 0 FKAFRN CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2O1 ZINC000038267342 205040587 /nfs/dbraw/zinc/04/05/87/205040587.db2.gz GMBLMUZJVSLMTG-OAHLLOKOSA-N 0 0 364.873 5.068 1 0 FKAFRN CS(=O)(=O)c1ccc(-c2ssc(=S)c2-c2ccccc2)cc1 ZINC000038330948 205039911 /nfs/dbraw/zinc/03/99/11/205039911.db2.gz CLJZUCRQXQYUTI-UHFFFAOYSA-N 0 0 364.538 5.277 1 0 FKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@](O)(C5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000038331150 205040257 /nfs/dbraw/zinc/04/02/57/205040257.db2.gz OQRFDBKHTMVKBO-ZMTPGRRHSA-N 0 0 372.593 5.910 1 0 FKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCCCC(=O)O1 ZINC000038345131 205040141 /nfs/dbraw/zinc/04/01/41/205040141.db2.gz QBMIPNMCJMPUOV-IDNQLYMWSA-N 0 0 354.490 5.104 1 0 FKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2cc[nH]c21 ZINC000038410988 208201727 /nfs/dbraw/zinc/20/17/27/208201727.db2.gz GXTDSKILHSBKND-UHFFFAOYSA-N 0 0 353.731 5.484 1 0 FKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc2[nH]ccc21 ZINC000038410989 220852143 /nfs/dbraw/zinc/85/21/43/220852143.db2.gz RKGLKMGUGFDKAX-UHFFFAOYSA-N 0 0 353.731 5.484 1 0 FKAFRN O=C(Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc21)Nc1ccccc1 ZINC000038423144 208201176 /nfs/dbraw/zinc/20/11/76/208201176.db2.gz NZOKOFZKUJDFLL-UHFFFAOYSA-N 0 0 362.820 5.527 1 0 FKAFRN CC(C)(C)c1ccc(CN(Cc2cccc3ccccc32)n2cncn2)cc1 ZINC000038424029 208201735 /nfs/dbraw/zinc/20/17/35/208201735.db2.gz ICPSTRZSARVURP-UHFFFAOYSA-N 0 0 370.500 5.067 1 0 FKAFRN O=C(Nc1nccs1)/C(=C/C1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000038445125 211700146 /nfs/dbraw/zinc/70/01/46/211700146.db2.gz LPANTTLHGJJATA-UKTHLTGXSA-N 0 0 367.301 5.662 1 0 FKAFRN Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)s2)cc1 ZINC000038494778 208202837 /nfs/dbraw/zinc/20/28/37/208202837.db2.gz YEDSOPYYVPIBRO-UHFFFAOYSA-N 0 0 358.879 5.027 1 0 FKAFRN CC(=O)OC(C)(C)[C@H]1CC/C(C)=C\CC/C(C)=C\CCC2=C[C@@H]1OC2=O ZINC000038543588 208203330 /nfs/dbraw/zinc/20/33/30/208203330.db2.gz JRHSHBMAWLBQTD-BWGJLUHESA-N 0 0 360.494 5.043 1 0 FKAFRN CC1(C)CC(/C=C/c2ccc(Cl)cc2)=Cc2c1sc1ncnc(N)c21 ZINC000039031048 208209004 /nfs/dbraw/zinc/20/90/04/208209004.db2.gz BGUQECPEELVHLW-ONEGZZNKSA-N 0 0 367.905 5.705 1 0 FKAFRN O=S(=O)(c1ccc2ccccc2c1)n1c2ccccc2c2ccccc21 ZINC000039095046 208207340 /nfs/dbraw/zinc/20/73/40/208207340.db2.gz OGWRCTVGMJBFRL-UHFFFAOYSA-N 0 0 357.434 5.185 1 0 FKAFRN Cc1cc(Nc2ccc(Oc3ccccc3)cc2)c2c3nc[nH]c3ccc2n1 ZINC000039214848 208208340 /nfs/dbraw/zinc/20/83/40/208208340.db2.gz CHAGTYBUUZBYBF-UHFFFAOYSA-N 0 0 366.424 5.955 1 0 FKAFRN CCOc1ccc(Nc2cc(C)nc3ccc4[nH]cnc4c32)cc1Cl ZINC000039214850 205044385 /nfs/dbraw/zinc/04/43/85/205044385.db2.gz VDSLJTXXCJGBMN-UHFFFAOYSA-N 0 0 352.825 5.215 1 0 FKAFRN CCCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000039308682 220862874 /nfs/dbraw/zinc/86/28/74/220862874.db2.gz OBCLUYQALDBUAD-PVAVHDDUSA-N 0 0 360.519 5.228 1 0 FKAFRN CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C(\F)c1c(C)cc(OC)c(C)c1C ZINC000039372777 208211410 /nfs/dbraw/zinc/21/14/10/208211410.db2.gz 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O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000040847135 208273117 /nfs/dbraw/zinc/27/31/17/208273117.db2.gz PDVQEWJUPVHAAR-UHFFFAOYSA-N 0 0 370.427 5.173 1 0 FKAFRN COCCCCCCn1c2ccc(O)cc2c(C)c1-c1ccc(O)cc1 ZINC000040847710 208273123 /nfs/dbraw/zinc/27/31/23/208273123.db2.gz MTCHOHNOFYFQIN-UHFFFAOYSA-N 0 0 353.462 5.235 1 0 FKAFRN O=C(c1ccc(-c2ccccc2F)cc1)N1CCc2c([nH]c3ccccc32)C1 ZINC000040848267 205083010 /nfs/dbraw/zinc/08/30/10/205083010.db2.gz RYDRDYBUQREBLW-UHFFFAOYSA-N 0 0 370.427 5.173 1 0 FKAFRN O=C(c1ccccc1-c1ccc(F)cc1)N1CCc2c([nH]c3ccccc32)C1 ZINC000040848744 220923525 /nfs/dbraw/zinc/92/35/25/220923525.db2.gz DZLRTMJVDSMJFF-UHFFFAOYSA-N 0 0 370.427 5.173 1 0 FKAFRN Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1csc(-c2ccccc2)c1 ZINC000040848756 205082790 /nfs/dbraw/zinc/08/27/90/205082790.db2.gz BKQXINPHGXGIBD-NVNXTCNLSA-N 0 0 351.452 5.450 1 0 FKAFRN CSc1nnc(-c2cc3c4ccccc4[nH]c3c(-c3ccccc3)n2)o1 ZINC000040860325 205082617 /nfs/dbraw/zinc/08/26/17/205082617.db2.gz 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ZINC000040872873 205082845 /nfs/dbraw/zinc/08/28/45/205082845.db2.gz UMBXSOCGZHWYKT-UHFFFAOYSA-N 0 0 371.484 5.596 1 0 FKAFRN COc1c(C(C)(C)C)cc(-c2cc(=S)ss2)cc1C(C)(C)C ZINC000040873727 208272654 /nfs/dbraw/zinc/27/26/54/208272654.db2.gz ADYCDQRKYSUEAJ-UHFFFAOYSA-N 0 0 352.590 6.810 1 0 FKAFRN FC(F)(F)c1cccc2c1nn(Cc1ccccc1)c2-c1ccccc1 ZINC000040874008 205084268 /nfs/dbraw/zinc/08/42/68/205084268.db2.gz LGRUCHCYEMOENE-UHFFFAOYSA-N 0 0 352.359 5.770 1 0 in-vivo FKAFRN COc1ccc(Cn2c3ccc(O)cc3c(C)c2-c2ccc(O)cc2)cc1 ZINC000040874422 205083898 /nfs/dbraw/zinc/08/38/98/205083898.db2.gz GXZPCEUXWVLCPQ-UHFFFAOYSA-N 0 0 359.425 5.085 1 0 FKAFRN Oc1cc(-c2ccccc2)c(OCC2CCCCC2)c(O)c1-c1ccccc1 ZINC000040874620 205083990 /nfs/dbraw/zinc/08/39/90/205083990.db2.gz WMKWJAYTUYAYLG-UHFFFAOYSA-N 0 0 374.480 6.391 1 0 FKAFRN CCCCCCOc1c(O)c(-c2ccccc2)c(O)cc1-c1ccccc1 ZINC000040875790 208272545 /nfs/dbraw/zinc/27/25/45/208272545.db2.gz ZAELDEOQYPXIMT-UHFFFAOYSA-N 0 0 362.469 6.391 1 0 FKAFRN Cc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 ZINC000040878796 211763221 /nfs/dbraw/zinc/76/32/21/211763221.db2.gz CHNCOVHBCGKKSR-MRXNPFEDSA-N 0 0 360.910 5.237 1 0 FKAFRN Cc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 ZINC000040878800 208273218 /nfs/dbraw/zinc/27/32/18/208273218.db2.gz CHNCOVHBCGKKSR-INIZCTEOSA-N 0 0 360.910 5.237 1 0 FKAFRN COc1cc(/C(F)=C\c2cc3sccc3c(O)c2)cc(OC)c1OC ZINC000040879187 205083944 /nfs/dbraw/zinc/08/39/44/205083944.db2.gz JUIMHHKELVWZEV-MKMNVTDBSA-N 0 0 360.406 5.100 1 0 FKAFRN COc1cc(/C(F)=C/c2cc3sccc3c(O)c2)cc(OC)c1OC ZINC000040879191 205083834 /nfs/dbraw/zinc/08/38/34/205083834.db2.gz JUIMHHKELVWZEV-NSIKDUERSA-N 0 0 360.406 5.100 1 0 FKAFRN O=C(Nc1ccccc1)c1cc2cc(-c3cccc(O)c3)ccc2cc1O ZINC000040879320 205083732 /nfs/dbraw/zinc/08/37/32/205083732.db2.gz HEWIHYKATGWOKZ-UHFFFAOYSA-N 0 0 355.393 5.170 1 0 FKAFRN c1ccc(Nc2c3nc(N4CCCCC4)sc3nc3ccccc32)cc1 ZINC000040880307 208273412 /nfs/dbraw/zinc/27/34/12/208273412.db2.gz GVWGTNNRTCXSFB-UHFFFAOYSA-N 0 0 360.486 5.578 1 0 FKAFRN Cc1ccccc1NC(=S)N[C@@H]1CC(C)(C)Oc2ccc(Cl)cc21 ZINC000040881133 208272307 /nfs/dbraw/zinc/27/23/07/208272307.db2.gz MSWIGNQSZFUTDM-MRXNPFEDSA-N 0 0 360.910 5.237 1 0 FKAFRN Cc1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 ZINC000040891763 205084346 /nfs/dbraw/zinc/08/43/46/205084346.db2.gz JUCCYTSUCUSIEW-INIZCTEOSA-N 0 0 360.910 5.237 1 0 FKAFRN O=c1snc(Nc2cccc3ccccc32)n1-c1cccc2ccccc21 ZINC000040891830 208274264 /nfs/dbraw/zinc/27/42/64/208274264.db2.gz SSUMUOGJJRGONZ-UHFFFAOYSA-N 0 0 369.449 5.344 1 0 FKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccccc3)cc2)c(=O)c1Br ZINC000040891913 205083937 /nfs/dbraw/zinc/08/39/37/205083937.db2.gz MWTWIFKTLNLERG-UHFFFAOYSA-N 0 0 370.246 5.214 1 0 FKAFRN Fc1ccc(Nc2ncnc3nc(Nc4ccccc4)sc32)cc1Cl ZINC000040892017 208273928 /nfs/dbraw/zinc/27/39/28/208273928.db2.gz VTPWWNYPRPJWNM-UHFFFAOYSA-N 0 0 371.828 5.366 1 0 FKAFRN CC(C)=CCc1c(O)cc2c(c1/C=C/c1ccccc1)C[C@@H](O)C(C)(C)O2 ZINC000040892302 205084250 /nfs/dbraw/zinc/08/42/50/205084250.db2.gz KKSDBZMBXBGTRS-ABSORMQESA-N 0 0 364.485 5.146 1 0 FKAFRN CC(C)=CCc1c(O)cc2c(c1/C=C\c1ccccc1)C[C@H](C(C)(C)O)O2 ZINC000040892557 208274169 /nfs/dbraw/zinc/27/41/69/208274169.db2.gz FSSUIGNVZSBFPI-GQZPPLQUSA-N 0 0 364.485 5.146 1 0 FKAFRN CC(C)=CCc1c(O)cc2c(c1/C=C\c1ccccc1)C[C@@H](C(C)(C)O)O2 ZINC000040892559 205084378 /nfs/dbraw/zinc/08/43/78/205084378.db2.gz FSSUIGNVZSBFPI-BLSBEMRDSA-N 0 0 364.485 5.146 1 0 FKAFRN c1ccc2ncc(N3CCC(c4nc(C5CCCCC5)no4)CC3)cc2c1 ZINC000040893516 136120480 /nfs/dbraw/zinc/12/04/80/136120480.db2.gz SCDKFJPXXNPSOL-UHFFFAOYSA-N 0 0 362.477 5.050 1 0 FKAFRN CC1(C)C[C@H](NC(=S)Nc2ccccc2Cl)c2cc(F)ccc2O1 ZINC000040893946 208274272 /nfs/dbraw/zinc/27/42/72/208274272.db2.gz MVSPVXRQYUJBGF-HNNXBMFYSA-N 0 0 364.873 5.068 1 0 FKAFRN COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccccc3)c3ccccc32)cc1 ZINC000040897527 136120460 /nfs/dbraw/zinc/12/04/60/136120460.db2.gz NBZOYKBEWQYQCV-HXOBKFHXSA-N 0 0 372.468 5.145 1 0 FKAFRN O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2cccc(Br)c2)C1 ZINC000040897979 205084368 /nfs/dbraw/zinc/08/43/68/205084368.db2.gz FYZOMYMFZDCRGD-MJGOQNOKSA-N 0 0 368.274 5.063 1 0 FKAFRN Clc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C2CCCC2)cc1 ZINC000040898760 220923783 /nfs/dbraw/zinc/92/37/83/220923783.db2.gz KLDOVZZNWJFVRF-UHFFFAOYSA-N 0 0 365.691 6.779 1 0 FKAFRN CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)ssc2=S)cc1 ZINC000040900845 211763908 /nfs/dbraw/zinc/76/39/08/211763908.db2.gz BGIQYKQEVPQNNH-UHFFFAOYSA-N 0 0 364.538 5.277 1 0 FKAFRN CCCCn1c2cc3ncnc(Nc4ccc(C)cc4)c3cc2nc1C(C)C ZINC000040913343 211764619 /nfs/dbraw/zinc/76/46/19/211764619.db2.gz VZUUECYZNOGTQA-UHFFFAOYSA-N 0 0 373.504 5.955 1 0 FKAFRN Cc1cnc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)s1 ZINC000040914877 208274875 /nfs/dbraw/zinc/27/48/75/208274875.db2.gz VDMYZVVOWGYDCM-OBFZPWGMSA-N 0 0 360.482 5.077 1 0 FKAFRN Cc1nc(NC(=O)[C@]2(C)CC3c4ccccc4C2c2ccccc23)sc1C ZINC000040915323 208275416 /nfs/dbraw/zinc/27/54/16/208275416.db2.gz WNJJVXQAJXMKMQ-YABDQXBESA-N 0 0 374.509 5.386 1 0 FKAFRN Cc1nc(NC(=O)[C@@]2(C)CC3c4ccccc4C2c2ccccc23)sc1C ZINC000040915325 205085126 /nfs/dbraw/zinc/08/51/26/205085126.db2.gz WNJJVXQAJXMKMQ-XPJNUEMQSA-N 0 0 374.509 5.386 1 0 FKAFRN CC[C@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12 ZINC000040915327 208275128 /nfs/dbraw/zinc/27/51/28/208275128.db2.gz QTPVFTICRYPNBH-AJTFCVKESA-N 0 0 360.482 5.159 1 0 FKAFRN CC[C@@]1(C(=O)Nc2nccs2)CC2c3ccccc3C1c1ccccc12 ZINC000040915329 205085210 /nfs/dbraw/zinc/08/52/10/205085210.db2.gz QTPVFTICRYPNBH-OBFZPWGMSA-N 0 0 360.482 5.159 1 0 FKAFRN [O-]c1c(F)cc(C[NH2+]CCC=C(c2ccccc2)c2ccccc2)cc1F ZINC000040915354 205085566 /nfs/dbraw/zinc/08/55/66/205085566.db2.gz NGZXGBBRTGEYNW-UHFFFAOYSA-N 0 0 365.423 5.282 1 0 FKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]21CCC(C)(C)C(=O)O1 ZINC000040916175 220924817 /nfs/dbraw/zinc/92/48/17/220924817.db2.gz DXLSQWPBMJRKEP-PJPYIVHJSA-N 0 0 368.517 5.350 1 0 FKAFRN FC(F)(F)c1cnc(Nc2nc(-c3ccccn3)cs2)c(Cl)c1 ZINC000040916634 208274625 /nfs/dbraw/zinc/27/46/25/208274625.db2.gz JZFSHWNLSKVTCR-UHFFFAOYSA-N 0 0 356.760 5.016 1 0 FKAFRN FC(F)(F)c1cccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)c1 ZINC000040918050 208274643 /nfs/dbraw/zinc/27/46/43/208274643.db2.gz AUYTYBXOQNJIFH-UHFFFAOYSA-N 0 0 364.370 6.225 1 0 FKAFRN Clc1ccc(OCOc2ccc(Cl)c3cccnc23)c2ncccc12 ZINC000040918337 205085455 /nfs/dbraw/zinc/08/54/55/205085455.db2.gz LXSWURNDGSINFQ-UHFFFAOYSA-N 0 0 371.223 5.505 1 0 FKAFRN O=C(Oc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc21 ZINC000040933671 136120617 /nfs/dbraw/zinc/12/06/17/136120617.db2.gz DFCQYZLDLAWXGY-UHFFFAOYSA-N 0 0 369.445 6.642 1 0 in-vivo FKAFRN CN(C)c1cccc(OC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000040934199 136120489 /nfs/dbraw/zinc/12/04/89/136120489.db2.gz UCJSIBVJIPKASB-UHFFFAOYSA-N 0 0 362.454 5.554 1 0 FKAFRN CCCNC1=Nc2ccccc2C(c2ccccc2)=N[C@@H]1c1cccs1 ZINC000040934490 208275405 /nfs/dbraw/zinc/27/54/05/208275405.db2.gz UEODIONXKHRVLZ-OAQYLSRUSA-N 0 0 359.498 5.370 1 0 FKAFRN CCCNC1=Nc2ccccc2C(c2ccccc2)=N[C@H]1c1cccs1 ZINC000040934492 208273912 /nfs/dbraw/zinc/27/39/12/208273912.db2.gz UEODIONXKHRVLZ-NRFANRHFSA-N 0 0 359.498 5.370 1 0 FKAFRN CCCC1(CCC)c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000040935047 136120457 /nfs/dbraw/zinc/12/04/57/136120457.db2.gz CISKBKRHBBMINT-UHFFFAOYSA-N 0 0 355.865 5.365 1 0 FKAFRN O=C(Oc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21 ZINC000040936769 136120473 /nfs/dbraw/zinc/12/04/73/136120473.db2.gz IXZXEECBRFSNPQ-UHFFFAOYSA-N 0 0 353.830 6.142 1 0 in-vivo FKAFRN CCOC(=O)c1c2cc(O)c3ccccc3c2[nH]c1-c1ccc(Cl)cc1 ZINC000040936904 211764962 /nfs/dbraw/zinc/76/49/62/211764962.db2.gz YEKKMADDWOJWLC-UHFFFAOYSA-N 0 0 365.816 5.524 1 0 FKAFRN O[C@@H]1Cc2ccc3ccccc3c2N[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000040939167 208276838 /nfs/dbraw/zinc/27/68/38/208276838.db2.gz MTUNCTKMDUEXIC-BEFAXECRSA-N 0 0 358.268 5.607 1 0 FKAFRN CCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040940384 210186139 /nfs/dbraw/zinc/18/61/39/210186139.db2.gz YDLVZJHEMPUSFL-NMQWMWRVSA-N 0 0 358.610 6.753 1 0 FKAFRN CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc21 ZINC000040940487 205085527 /nfs/dbraw/zinc/08/55/27/205085527.db2.gz NOZBIELOVXNVEA-UHFFFAOYSA-N 0 0 373.452 5.379 1 0 FKAFRN CC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)[C@@H]3OC(C)(C)O[C@@H]3[C@@]12C ZINC000040943365 205085097 /nfs/dbraw/zinc/08/50/97/205085097.db2.gz RRGBZFQFRIRDNK-DSRCTXLTSA-N 0 0 358.522 5.751 1 0 FKAFRN CCOC(=O)c1c2cc(O)c3ccccc3c2[nH]c1-c1cccc(Cl)c1 ZINC000040943444 205085192 /nfs/dbraw/zinc/08/51/92/205085192.db2.gz ICMUBHJJQVALPP-UHFFFAOYSA-N 0 0 365.816 5.524 1 0 FKAFRN O=C1/C(=C/c2ccco2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000040943546 205084950 /nfs/dbraw/zinc/08/49/50/205084950.db2.gz QWBVGQSWIOWZLL-SDNWHVSQSA-N 0 0 356.208 5.805 1 0 FKAFRN CC(=O)c1c(O)c2c(F)ccc(F)c2nc1Nc1ccc(C(C)(C)C)cc1 ZINC000040950180 205085320 /nfs/dbraw/zinc/08/53/20/205085320.db2.gz SUVKDTBENLRJBS-UHFFFAOYSA-N 0 0 370.399 5.050 1 0 FKAFRN COc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 ZINC000040950687 211766334 /nfs/dbraw/zinc/76/63/34/211766334.db2.gz SDAWROHZJFECJP-DEOSSOPVSA-N 0 0 368.480 5.585 1 0 FKAFRN Fc1ccc(C[C@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 ZINC000040951580 205084683 /nfs/dbraw/zinc/08/46/83/205084683.db2.gz WSNFIUQCYHDWFF-DEOSSOPVSA-N 0 0 356.444 5.716 1 0 FKAFRN Fc1ccc(C[C@@H](Cc2ccc(-c3ccccc3)cc2)n2ccnc2)cc1 ZINC000040951582 208276121 /nfs/dbraw/zinc/27/61/21/208276121.db2.gz WSNFIUQCYHDWFF-XMMPIXPASA-N 0 0 356.444 5.716 1 0 FKAFRN Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(cnnc2NC(C)C)c1 ZINC000040953053 208276078 /nfs/dbraw/zinc/27/60/78/208276078.db2.gz DYSGCGRDHIJLBK-UHFFFAOYSA-N 0 0 373.460 5.141 1 0 FKAFRN COc1ccc2cc(-c3cncc(OC)c3)c(Cc3ccccc3)cc2c1 ZINC000040953981 208276793 /nfs/dbraw/zinc/27/67/93/208276793.db2.gz UGPYCDBPIUIBHR-UHFFFAOYSA-N 0 0 355.437 5.510 1 0 FKAFRN O=C(Nc1ccccc1)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1 ZINC000040954057 205086525 /nfs/dbraw/zinc/08/65/25/205086525.db2.gz BYHRCYHAGIKRAI-UHFFFAOYSA-N 0 0 365.432 6.632 1 0 FKAFRN CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2CF)cc1 ZINC000040954221 211765266 /nfs/dbraw/zinc/76/52/66/211765266.db2.gz RRDUZQOBVHRLIU-UHFFFAOYSA-N 0 0 362.514 5.058 1 0 FKAFRN COc1ccc([C@H](O)c2cc3ccccc3cc2-c2cccnc2)cc1F ZINC000040954660 208276605 /nfs/dbraw/zinc/27/66/05/208276605.db2.gz KSGVSOSHLHWIHO-QHCPKHFHSA-N 0 0 359.400 5.131 1 0 FKAFRN COc1ccc([C@@H](O)c2cc3ccccc3cc2-c2cccnc2)cc1F ZINC000040954662 208276721 /nfs/dbraw/zinc/27/67/21/208276721.db2.gz KSGVSOSHLHWIHO-HSZRJFAPSA-N 0 0 359.400 5.131 1 0 FKAFRN CCCNC(=S)Nc1cccc(OCCCCCc2ccccc2)c1 ZINC000040955194 205086520 /nfs/dbraw/zinc/08/65/20/205086520.db2.gz LIOZQZUOBQCRFH-UHFFFAOYSA-N 0 0 356.535 5.175 1 0 FKAFRN COc1ccc(C(=O)c2cc3ccc(OC)cc3cc2-c2cccnc2)cc1 ZINC000040955698 205086318 /nfs/dbraw/zinc/08/63/18/205086318.db2.gz JJYZPQPWGFYPLY-UHFFFAOYSA-N 0 0 369.420 5.150 1 0 FKAFRN Cc1ccc2oc(=O)c(C(=O)NC3CCCCCCCCCCC3)cc2c1 ZINC000040955744 208277271 /nfs/dbraw/zinc/27/72/71/208277271.db2.gz VWQOVCCGOGWSCR-UHFFFAOYSA-N 0 0 369.505 5.505 1 0 FKAFRN COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1 ZINC000040956592 211765242 /nfs/dbraw/zinc/76/52/42/211765242.db2.gz VQUARJCMNGAQJX-UHFFFAOYSA-N 0 0 355.437 5.510 1 0 FKAFRN COc1ccc(Cc2cc3ccc(OC)cc3cc2-c2cccnc2)cc1 ZINC000040957051 205086286 /nfs/dbraw/zinc/08/62/86/205086286.db2.gz ATIATLYZAUOIKD-UHFFFAOYSA-N 0 0 355.437 5.510 1 0 FKAFRN CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(F)c2)[nH]1 ZINC000040972476 208278392 /nfs/dbraw/zinc/27/83/92/208278392.db2.gz KLOOFNADZQKJDI-UHFFFAOYSA-N 0 0 353.344 5.019 1 0 FKAFRN O=C(c1ccco1)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 ZINC000040972894 136120664 /nfs/dbraw/zinc/12/06/64/136120664.db2.gz LJSXUNFLSHJCEQ-NRFANRHFSA-N 0 0 369.376 5.124 1 0 FKAFRN O=C(c1ccco1)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 ZINC000040972896 136120638 /nfs/dbraw/zinc/12/06/38/136120638.db2.gz LJSXUNFLSHJCEQ-OAQYLSRUSA-N 0 0 369.376 5.124 1 0 FKAFRN CCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000040973389 208278747 /nfs/dbraw/zinc/27/87/47/208278747.db2.gz PUBXDTLETUTKIJ-WOJBJXKFSA-N 0 0 370.577 7.164 1 0 in-vivo FKAFRN COc1cc2nccc(Oc3cc(C)c(Cl)cc3C(C)=O)c2cc1OC ZINC000040973752 208278753 /nfs/dbraw/zinc/27/87/53/208278753.db2.gz KDPORFRLXYMHCG-UHFFFAOYSA-N 0 0 371.820 5.209 1 0 FKAFRN COc1ccccc1[C@@H]1CC(c2cccc(O)c2)=Nc2ccccc2S1 ZINC000040973771 208277913 /nfs/dbraw/zinc/27/79/13/208277913.db2.gz PVYNAGGLIAVILG-QFIPXVFZSA-N 0 0 361.466 5.759 1 0 FKAFRN COc1ccc([C@@H]2CC(c3cccc(O)c3)=Nc3ccccc3S2)cc1 ZINC000040973775 205086509 /nfs/dbraw/zinc/08/65/09/205086509.db2.gz ZYVHLPYWOHGTDC-QFIPXVFZSA-N 0 0 361.466 5.759 1 0 FKAFRN Oc1cccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000040975527 205086681 /nfs/dbraw/zinc/08/66/81/205086681.db2.gz GJRNUXBFTTXFHD-NRFANRHFSA-N 0 0 365.885 6.404 1 0 FKAFRN CN(C)c1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2C=O)cc1 ZINC000040975577 211765273 /nfs/dbraw/zinc/76/52/73/211765273.db2.gz YMICRYRUJSHUIH-UHFFFAOYSA-N 0 0 351.449 6.052 1 0 FKAFRN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1Cl ZINC000040975778 205086414 /nfs/dbraw/zinc/08/64/14/205086414.db2.gz LKIPBDJXSAGBTO-UHFFFAOYSA-N 0 0 361.917 5.357 1 0 FKAFRN COc1ccc(-c2csc(-c3cc(Cl)cc(Cl)c3Cl)n2)cc1 ZINC000040976103 208277699 /nfs/dbraw/zinc/27/76/99/208277699.db2.gz DEUXBTXGUQIKFE-UHFFFAOYSA-N 0 0 370.688 6.446 1 0 FKAFRN COCc1cc(O)c2c(c1O)[C@@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000040976253 211765480 /nfs/dbraw/zinc/76/54/80/211765480.db2.gz APGZBIKZXBYIEJ-WKZKVMAPSA-N 0 0 358.522 5.301 1 0 FKAFRN O=C1CCC(/C=C/c2ccc(-c3ccccc3)cc2)=NN1c1ccccc1 ZINC000040976588 136120699 /nfs/dbraw/zinc/12/06/99/136120699.db2.gz USMLTHGZZKPBEY-DTQAZKPQSA-N 0 0 352.437 5.550 1 0 FKAFRN CCCc1ccc(Oc2ccnc3cc(OC)c(OC)cc32)c(C(C)=O)c1 ZINC000040976663 208278196 /nfs/dbraw/zinc/27/81/96/208278196.db2.gz ABKGSVATMHITOO-UHFFFAOYSA-N 0 0 365.429 5.199 1 0 FKAFRN O=C(c1ccco1)N1c2ccccc2-c2ccccc2[C@H]1C(=O)C1CCC1 ZINC000040977176 136120681 /nfs/dbraw/zinc/12/06/81/136120681.db2.gz 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/nfs/dbraw/zinc/08/58/36/205085836.db2.gz SRNJMXQTCVGLOQ-KRWDZBQOSA-N 0 0 365.235 5.539 1 0 FKAFRN Fc1ccc([C@@H](CCn2ccnc2)Oc2c(Cl)cccc2Cl)cc1 ZINC000040980119 208277897 /nfs/dbraw/zinc/27/78/97/208277897.db2.gz SRNJMXQTCVGLOQ-QGZVFWFLSA-N 0 0 365.235 5.539 1 0 FKAFRN CC(C)[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Cl)cc1 ZINC000042920119 211785286 /nfs/dbraw/zinc/78/52/86/211785286.db2.gz QZKIXDSVUHUHBH-FQEVSTJZSA-N 0 0 353.849 5.535 1 0 FKAFRN CC1(C)C[C@@H](N(Cc2ccccc2)c2ccccc2)CCN1c1ccccc1 ZINC000042921425 132950344 /nfs/dbraw/zinc/95/03/44/132950344.db2.gz WWYUAEXOPXUVTJ-VWLOTQADSA-N 0 0 370.540 6.141 1 0 FKAFRN Clc1ccc2[nH]c3c(c2c1)S[C@H](c1ccc(Cl)cc1Cl)C3 ZINC000042922148 208297041 /nfs/dbraw/zinc/29/70/41/208297041.db2.gz HFQCRCRYOJMKDY-HNNXBMFYSA-N 0 0 354.689 6.518 1 0 FKAFRN Clc1ccc2[nH]c3c(c2c1)S[C@@H](c1ccc(Cl)cc1Cl)C3 ZINC000042922150 208297847 /nfs/dbraw/zinc/29/78/47/208297847.db2.gz HFQCRCRYOJMKDY-OAHLLOKOSA-N 0 0 354.689 6.518 1 0 FKAFRN O=C(Nc1ccc(Cl)cc1)[C@@H](Oc1cccc2ccccc21)C1CC1 ZINC000042922370 208298797 /nfs/dbraw/zinc/29/87/97/208298797.db2.gz GCKVPTPQJRLQIO-FQEVSTJZSA-N 0 0 351.833 5.289 1 0 FKAFRN CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(OC(C)=O)c1O ZINC000042988722 208297657 /nfs/dbraw/zinc/29/76/57/208297657.db2.gz NQWZDPKQSSITCN-GHRIWEEISA-N 0 0 374.521 5.991 1 0 FKAFRN C[C@@H](C(=O)NC(C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl ZINC000043010953 211783979 /nfs/dbraw/zinc/78/39/79/211783979.db2.gz YUOKWIGKXGRGFG-GFCCVEGCSA-N 0 0 365.304 5.755 1 0 FKAFRN Cc1ccc2c(c1)/N=C/c1ccccc1/C=N/c1cc(C)ccc1OCCO2 ZINC000043011636 211784155 /nfs/dbraw/zinc/78/41/55/211784155.db2.gz FOTZKQHJDWCLEY-RYQLWAFASA-N 0 0 370.452 5.576 1 0 FKAFRN Cc1cccc(-c2nc3ccccc3c(Nc3ccc4ncsc4c3)n2)n1 ZINC000043013118 208299670 /nfs/dbraw/zinc/29/96/70/208299670.db2.gz AOHITTBIQMSEHG-UHFFFAOYSA-N 0 0 369.453 5.354 1 0 FKAFRN CC(=O)CCCc1c(-c2cccnc2)oc2ccc3c(c21)CCC(C)(C)O3 ZINC000043013514 208300718 /nfs/dbraw/zinc/30/07/18/208300718.db2.gz 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Clc1cccc(-c2nnnn2Cc2c(Cl)cccc2Cl)c1Cl ZINC000043068689 208299958 /nfs/dbraw/zinc/29/99/58/208299958.db2.gz TZTMDILIBJJPCG-UHFFFAOYSA-N 0 0 374.058 5.002 1 0 FKAFRN CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1 ZINC000043069461 208300817 /nfs/dbraw/zinc/30/08/17/208300817.db2.gz QFVLIKLKPJSXTI-UHFFFAOYSA-N 0 0 363.505 5.167 1 0 FKAFRN CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1 ZINC000043072617 208299966 /nfs/dbraw/zinc/29/99/66/208299966.db2.gz UOCGOPWZUQBYRN-UHFFFAOYSA-N 0 0 363.505 5.167 1 0 FKAFRN CC[C@H](C1CC1)n1cc(Cl)nc(N(CC)c2c(C)cc(C)cc2C)c1=O ZINC000043120191 205100462 /nfs/dbraw/zinc/10/04/62/205100462.db2.gz YTQGVLORWZYCFL-QGZVFWFLSA-N 0 0 373.928 5.341 1 0 FKAFRN CCCC(CCC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O ZINC000043120319 205100724 /nfs/dbraw/zinc/10/07/24/205100724.db2.gz CJZONCLALPIGBU-UHFFFAOYSA-N 0 0 361.917 5.707 1 0 FKAFRN Cc1cccc2c1/N=C/c1ccccc1/C=N/c1c(C)cccc1OCCO2 ZINC000043122570 208303101 /nfs/dbraw/zinc/30/31/01/208303101.db2.gz HONVXEQPFLWISU-RYQLWAFASA-N 0 0 370.452 5.576 1 0 FKAFRN Cc1ccc(Sc2ccccc2)c(Nc2ccnc3nc(C)ccc23)c1 ZINC000043170293 208302191 /nfs/dbraw/zinc/30/21/91/208302191.db2.gz FFLHJBWMGGGQCY-UHFFFAOYSA-N 0 0 357.482 6.141 1 0 FKAFRN CCCn1cc(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000043173819 208302475 /nfs/dbraw/zinc/30/24/75/208302475.db2.gz DGGVSYPBSIIZRQ-UHFFFAOYSA-N 0 0 361.276 5.714 1 0 FKAFRN Fc1ccc(F)c([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c43)c1F ZINC000043196194 205101488 /nfs/dbraw/zinc/10/14/88/205101488.db2.gz ZGTRBSABWYYFNJ-LJQANCHMSA-N 0 0 351.331 5.162 1 0 FKAFRN Fc1ccc(F)c([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c43)c1F ZINC000043196195 220945459 /nfs/dbraw/zinc/94/54/59/220945459.db2.gz ZGTRBSABWYYFNJ-IBGZPJMESA-N 0 0 351.331 5.162 1 0 FKAFRN Cc1ccc2c(c1Cl)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCCC1 ZINC000043200751 211789872 /nfs/dbraw/zinc/78/98/72/211789872.db2.gz ZDCIKWFLFNGSKC-QFIPXVFZSA-N 0 0 369.892 5.563 1 0 FKAFRN CC[C@H](/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1Cl ZINC000043511368 205104482 /nfs/dbraw/zinc/10/44/82/205104482.db2.gz DRBCUSLIQWBAJB-ABZNLYFFSA-N 0 0 359.218 7.219 1 0 FKAFRN FC(F)(F)C(=C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000044005563 205105809 /nfs/dbraw/zinc/10/58/09/205105809.db2.gz TUJFYIWSQPPEPR-UHFFFAOYSA-N 0 0 358.790 6.861 1 0 FKAFRN CCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1 ZINC000045167394 208328180 /nfs/dbraw/zinc/32/81/80/208328180.db2.gz IVIWWDXZJCJBJV-GOSISDBHSA-N 0 0 367.533 5.824 1 0 FKAFRN CCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1 ZINC000045167396 205118014 /nfs/dbraw/zinc/11/80/14/205118014.db2.gz IVIWWDXZJCJBJV-SFHVURJKSA-N 0 0 367.533 5.824 1 0 FKAFRN Cc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)c1Br ZINC000045189001 211811665 /nfs/dbraw/zinc/81/16/65/211811665.db2.gz LISZCGAYTFKKAZ-UHFFFAOYSA-N 0 0 372.237 5.227 1 0 FKAFRN Cc1[nH]c(C)c(-c2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)c1Cl ZINC000045189357 205117210 /nfs/dbraw/zinc/11/72/10/205117210.db2.gz NFPOBNFMMGFTOP-UHFFFAOYSA-N 0 0 372.251 5.197 1 0 FKAFRN COc1cc(Nc2ccnc3ccc(C(C)(C)C)cc32)cc(OC)c1OC ZINC000045189636 205117449 /nfs/dbraw/zinc/11/74/49/205117449.db2.gz FPWOHBGDJPLADA-UHFFFAOYSA-N 0 0 366.461 5.302 1 0 FKAFRN COc1ccc(CCc2ccc(-c3c(C)[nH]c(C)c(Cl)c3=O)cc2)cc1 ZINC000045190704 208327096 /nfs/dbraw/zinc/32/70/96/208327096.db2.gz FLDSDDXDFUGGJO-UHFFFAOYSA-N 0 0 367.876 5.106 1 0 FKAFRN Cc1cc(=O)c(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c(C)[nH]1 ZINC000045193477 208327500 /nfs/dbraw/zinc/32/75/00/208327500.db2.gz VLXLIQPLYCDQIZ-UHFFFAOYSA-N 0 0 360.240 5.758 1 0 FKAFRN Cc1noc(C)c1-c1ccc(C(c2ccc(O)cc2)=C2CCCCCC2)cc1 ZINC000045194586 205117362 /nfs/dbraw/zinc/11/73/62/205117362.db2.gz OQAVAAMXESTSFG-UHFFFAOYSA-N 0 0 373.496 6.820 1 0 FKAFRN COc1cc(C)nc2ccc(NC(=O)Nc3cccc4ccccc43)cc21 ZINC000045195521 220967105 /nfs/dbraw/zinc/96/71/05/220967105.db2.gz OQAKONPGJOJWEF-UHFFFAOYSA-N 0 0 357.413 5.349 1 0 FKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 ZINC000045196044 205117119 /nfs/dbraw/zinc/11/71/19/205117119.db2.gz NJJWRIIXAACDRY-JKSUJKDBSA-N 0 0 353.506 6.402 1 0 FKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 ZINC000045196047 205117802 /nfs/dbraw/zinc/11/78/02/205117802.db2.gz NJJWRIIXAACDRY-CVEARBPZSA-N 0 0 353.506 6.402 1 0 FKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)c1cnccc1-2 ZINC000045196050 205117492 /nfs/dbraw/zinc/11/74/92/205117492.db2.gz NJJWRIIXAACDRY-HOTGVXAUSA-N 0 0 353.506 6.402 1 0 FKAFRN Oc1cccc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc32)c1 ZINC000045201802 208328131 /nfs/dbraw/zinc/32/81/31/208328131.db2.gz ZCNLZEITJWQHKC-UHFFFAOYSA-N 0 0 352.393 6.097 1 0 FKAFRN Cc1[nH]c(C)c(-c2ccc(OCc3ccc(F)cc3)cc2)c(=O)c1Cl ZINC000045201949 205117417 /nfs/dbraw/zinc/11/74/17/205117417.db2.gz ZTQPISVEMGJVIY-UHFFFAOYSA-N 0 0 357.812 5.030 1 0 FKAFRN Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2n1 ZINC000045202835 205117738 /nfs/dbraw/zinc/11/77/38/205117738.db2.gz OMGUVFRVMIHRNS-UHFFFAOYSA-N 0 0 369.424 5.401 1 0 FKAFRN CCCCCC[C@@H](CC)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000045209902 208327945 /nfs/dbraw/zinc/32/79/45/208327945.db2.gz IHKLPAGNBNXUTL-MRXNPFEDSA-N 0 0 353.506 6.546 1 0 FKAFRN CCCCCC[C@H](CC)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000045209905 208327930 /nfs/dbraw/zinc/32/79/30/208327930.db2.gz IHKLPAGNBNXUTL-INIZCTEOSA-N 0 0 353.506 6.546 1 0 FKAFRN C[NH+](C)CCOc1ccc2c(c1)OC(C)(C)C=C2c1cccc2ccccc21 ZINC000045228213 208328112 /nfs/dbraw/zinc/32/81/12/208328112.db2.gz DXROPGXURWBEFE-UHFFFAOYSA-N 0 0 373.496 5.383 1 0 FKAFRN Cc1[nH]c(C)c(-c2ccc(CCc3ccc(F)cc3F)cc2)c(=O)c1Cl ZINC000045229247 205119501 /nfs/dbraw/zinc/11/95/01/205119501.db2.gz QOJSZFCSTDTFRK-UHFFFAOYSA-N 0 0 373.830 5.376 1 0 FKAFRN CC(C)(C)c1ccc(-c2ccccc2CNC(=O)c2cccc(O)c2)cc1 ZINC000045229728 205119224 /nfs/dbraw/zinc/11/92/24/205119224.db2.gz WSARICYEDTVKOF-UHFFFAOYSA-N 0 0 359.469 5.287 1 0 FKAFRN Nc1ccc(-c2cc(Cl)cc(Cl)c2)cc1-c1cc2ccccc2[nH]1 ZINC000045229857 208326882 /nfs/dbraw/zinc/32/68/82/208326882.db2.gz MTHGWTGJJIEGEI-UHFFFAOYSA-N 0 0 353.252 6.391 1 0 FKAFRN Cc1ccccc1C1CCN(c2ccc(C(=O)Nc3ccccc3)cn2)CC1 ZINC000045230267 136121965 /nfs/dbraw/zinc/12/19/65/136121965.db2.gz WQFUWPJCNSPQRK-UHFFFAOYSA-N 0 0 371.484 5.026 1 0 FKAFRN CC(C)Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 ZINC000045245417 208327646 /nfs/dbraw/zinc/32/76/46/208327646.db2.gz JQXHBPGAMYZRJM-UHFFFAOYSA-N 0 0 358.420 5.318 1 0 FKAFRN CC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1 ZINC000045245429 205118428 /nfs/dbraw/zinc/11/84/28/205118428.db2.gz XUDXDGGENLXMSC-WOJBJXKFSA-N 0 0 374.484 5.277 1 0 FKAFRN CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H]31 ZINC000045245475 211811803 /nfs/dbraw/zinc/81/18/03/211811803.db2.gz PQZMZRVBJLKEFN-MEWNVRQFSA-N 0 0 368.517 5.436 1 0 FKAFRN CC(C)CNc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 ZINC000045245478 205119624 /nfs/dbraw/zinc/11/96/24/205119624.db2.gz XUHOVTUVLNZHGO-UHFFFAOYSA-N 0 0 372.447 5.566 1 0 FKAFRN FC(F)(F)c1ccc(Nc2noc3cc(-c4cccnc4)ccc32)cc1 ZINC000045245545 208327959 /nfs/dbraw/zinc/32/79/59/208327959.db2.gz FNBDRRWLIIBBNJ-UHFFFAOYSA-N 0 0 355.319 5.652 1 0 FKAFRN CC[C@@H](C)Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 ZINC000045252939 208329685 /nfs/dbraw/zinc/32/96/85/208329685.db2.gz GOHDKZNWABSQCM-OAHLLOKOSA-N 0 0 372.447 5.708 1 0 FKAFRN CC[C@H](C)Nc1cc(-c2nc3ccccc3nc2-c2ccc(F)cc2)ccn1 ZINC000045252941 208328931 /nfs/dbraw/zinc/32/89/31/208328931.db2.gz GOHDKZNWABSQCM-HNNXBMFYSA-N 0 0 372.447 5.708 1 0 FKAFRN CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1cccc(Cl)c1 ZINC000045256040 132951282 /nfs/dbraw/zinc/95/12/82/132951282.db2.gz NNLKAIQGXPBQIA-UHFFFAOYSA-N 0 0 355.865 5.467 1 0 FKAFRN CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000045257608 205119811 /nfs/dbraw/zinc/11/98/11/205119811.db2.gz ANSPOQSLVFCMFC-INIZCTEOSA-N 0 0 356.680 5.124 1 0 FKAFRN O=C1N(c2ccc(Cl)cc2)CC(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000045260553 205118829 /nfs/dbraw/zinc/11/88/29/205118829.db2.gz KWBQHFNVLNKYBB-UHFFFAOYSA-N 0 0 371.676 5.421 1 0 FKAFRN CC[C@@H](C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1 ZINC000045260910 205118635 /nfs/dbraw/zinc/11/86/35/205118635.db2.gz ONBWBXOALQFMCF-CQSZACIVSA-N 0 0 353.441 5.877 1 0 FKAFRN CC[C@H](C)Nc1cc(-c2c(-c3ccc(F)cc3)noc2C(C)C)ccn1 ZINC000045260913 581095331 /nfs/dbraw/zinc/09/53/31/581095331.db2.gz ONBWBXOALQFMCF-AWEZNQCLSA-N 0 0 353.441 5.877 1 0 FKAFRN O=C(CCNc1ccccc1O)N1c2ccccc2C=Cc2ccccc21 ZINC000045261187 208329359 /nfs/dbraw/zinc/32/93/59/208329359.db2.gz QAOCHDWXKASYLA-UHFFFAOYSA-N 0 0 356.425 5.043 1 0 FKAFRN CC[S@@](=O)c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc32)cc1 ZINC000045283527 205119015 /nfs/dbraw/zinc/11/90/15/205119015.db2.gz NCGGCRHITOMNJS-VWLOTQADSA-N 0 0 350.439 5.796 1 0 FKAFRN CC[S@](=O)c1ccc(-c2coc3ccc(-c4ccc(C)o4)cc32)cc1 ZINC000045283529 205118905 /nfs/dbraw/zinc/11/89/05/205118905.db2.gz NCGGCRHITOMNJS-RUZDIDTESA-N 0 0 350.439 5.796 1 0 FKAFRN O=C(c1cn(CC2CCOCC2)c2ccccc12)C12C[C@H]3CC1C[C@@H](C2)C3 ZINC000045283966 205118770 /nfs/dbraw/zinc/11/87/70/205118770.db2.gz WBROYFRREDXBEY-SZKUSEGLSA-N 0 0 363.501 5.077 1 0 FKAFRN Cc1ccc(-c2ccc3scc(-c4ccc([S@](C)=O)cc4)c3c2)o1 ZINC000045284084 211813013 /nfs/dbraw/zinc/81/30/13/211813013.db2.gz BLIDTQXUCVVXAD-XMMPIXPASA-N 0 0 352.480 5.874 1 0 FKAFRN CCCCOP(=O)(OCCCC)O[C@@H](c1ccccc1)C(F)(F)F ZINC000045284457 205118373 /nfs/dbraw/zinc/11/83/73/205118373.db2.gz BREZEIOVGIZIOU-HNNXBMFYSA-N 0 0 368.332 6.048 1 0 in-vivo FKAFRN CCCCOP(=O)(OCCCC)O[C@H](c1ccccc1)C(F)(F)F ZINC000045284459 208328894 /nfs/dbraw/zinc/32/88/94/208328894.db2.gz BREZEIOVGIZIOU-OAHLLOKOSA-N 0 0 368.332 6.048 1 0 in-vivo FKAFRN O=C1Cc2c3cc(Cl)ccc3[nH]c2-c2ccccc2N1Cc1ccccc1 ZINC000045284559 208329235 /nfs/dbraw/zinc/32/92/35/208329235.db2.gz QOTHSGGBIBMIIM-UHFFFAOYSA-N 0 0 372.855 5.578 1 0 FKAFRN Cc1ccc(CN2c3ccccc3-c3[nH]c4ccccc4c3CC2=O)cc1 ZINC000045285497 205119043 /nfs/dbraw/zinc/11/90/43/205119043.db2.gz PSPWZGBZRWYJLW-UHFFFAOYSA-N 0 0 352.437 5.233 1 0 FKAFRN Cc1csc(Nc2ncnc3ccc(Oc4ccccc4F)cc32)n1 ZINC000045285571 581094083 /nfs/dbraw/zinc/09/40/83/581094083.db2.gz ATZHFQAWHIAMEM-UHFFFAOYSA-N 0 0 352.394 5.070 1 0 FKAFRN Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc32)n1 ZINC000045285573 205118936 /nfs/dbraw/zinc/11/89/36/205118936.db2.gz GXRVZYKFJKLQIF-UHFFFAOYSA-N 0 0 352.394 5.070 1 0 FKAFRN C/C1=C\CC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C/C(C)=C/CC1 ZINC000045287167 220969225 /nfs/dbraw/zinc/96/92/25/220969225.db2.gz SPBVSJHMHZCQRT-WEOKXERDSA-N 0 0 368.517 6.200 1 0 FKAFRN Fc1ccccc1-c1ccc2c(c1)onc2Nc1ccc(C(F)(F)F)cc1 ZINC000045289173 208328910 /nfs/dbraw/zinc/32/89/10/208328910.db2.gz CQIMDHAAOYJTDM-UHFFFAOYSA-N 0 0 372.321 6.396 1 0 FKAFRN CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(Cl)cc1 ZINC000045289176 132951285 /nfs/dbraw/zinc/95/12/85/132951285.db2.gz SHFZJNYLZBNTIZ-UHFFFAOYSA-N 0 0 355.865 5.467 1 0 FKAFRN COc1cccc(Oc2ccc(-c3ccc([C@@H](C)NC(C)=O)cc3)cc2)c1 ZINC000045290034 208329154 /nfs/dbraw/zinc/32/91/54/208329154.db2.gz ATCUKGSBKCZRMS-MRXNPFEDSA-N 0 0 361.441 5.352 1 0 FKAFRN CC1(C)CCC[C@@]2(CO)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]2(C)c3cocc3CC[C@H]21 ZINC000045291227 205119106 /nfs/dbraw/zinc/11/91/06/205119106.db2.gz KGLSSBJCYUTCKF-WKMSJAJJSA-N 0 0 370.577 6.115 1 0 FKAFRN Cc1ccc(C(c2c[nH]c3ccc(F)cc32)c2c[nH]c3ccc(F)cc32)cc1 ZINC000045291643 211814497 /nfs/dbraw/zinc/81/44/97/211814497.db2.gz SDHNORLJWGHVPA-UHFFFAOYSA-N 0 0 372.418 6.416 1 0 FKAFRN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccccc1 ZINC000045291685 208329881 /nfs/dbraw/zinc/32/98/81/208329881.db2.gz ANXBEIIYCXTDOG-UHFFFAOYSA-N 0 0 365.454 5.153 1 0 FKAFRN Cc1cccnc1-c1ccc2c(c1)onc2Nc1ccc(C(F)(F)F)cc1 ZINC000045299043 208330531 /nfs/dbraw/zinc/33/05/31/208330531.db2.gz SXJAHHQMDLEPCN-UHFFFAOYSA-N 0 0 369.346 5.961 1 0 FKAFRN Fc1ccc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccncc2)cc1 ZINC000045301550 205120296 /nfs/dbraw/zinc/12/02/96/205120296.db2.gz LVQXSFOUILYXEJ-UHFFFAOYSA-N 0 0 370.214 5.805 1 0 FKAFRN O=C1Nc2c(ccc(Cl)c2Cl)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000045302240 205120370 /nfs/dbraw/zinc/12/03/70/205120370.db2.gz VVVXHARGTONSKR-XFFZJAGNSA-N 0 0 358.146 5.505 1 0 FKAFRN 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CC(C)[C@H](C(=O)Nc1nc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000045394086 205122002 /nfs/dbraw/zinc/12/20/02/205122002.db2.gz BEIGLEPJTIPDQW-INIZCTEOSA-N 0 0 363.244 5.513 1 0 FKAFRN CC(C)[C@H](C(=O)Nc1ncc(C(F)(F)F)s1)c1ccc(Cl)cc1 ZINC000045394147 208334751 /nfs/dbraw/zinc/33/47/51/208334751.db2.gz HFEMZAFKQONWLL-LBPRGKRZSA-N 0 0 362.804 5.194 1 0 FKAFRN Clc1ccc([C@@H]2C[C@@H]3Cc4ccc5ccccc5c4N2O3)c(Cl)c1 ZINC000045483728 208334002 /nfs/dbraw/zinc/33/40/02/208334002.db2.gz AXDXNAJDIXDGGR-KXBFYZLASA-N 0 0 356.252 5.954 1 0 FKAFRN Cc1cc(-c2ccsc2)cn2c(CSCc3ccccc3)cnc12 ZINC000045495335 208334239 /nfs/dbraw/zinc/33/42/39/208334239.db2.gz KEWDZDZIBNXMPM-UHFFFAOYSA-N 0 0 350.512 5.805 1 0 FKAFRN Fc1ccccc1C[C@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 ZINC000045497016 208332865 /nfs/dbraw/zinc/33/28/65/208332865.db2.gz FHSOIRBUWDZNNR-QHCPKHFHSA-N 0 0 356.444 5.716 1 0 FKAFRN Fc1ccccc1C[C@@H](Cc1ccc(-c2ccccc2)cc1)n1ccnc1 ZINC000045497017 208334440 /nfs/dbraw/zinc/33/44/40/208334440.db2.gz FHSOIRBUWDZNNR-HSZRJFAPSA-N 0 0 356.444 5.716 1 0 FKAFRN CCCCC(=O)c1cnc2ccc(Cc3ccc4ccccc4c3)cc2c1O ZINC000045497643 211818107 /nfs/dbraw/zinc/81/81/07/211818107.db2.gz OKOKWNYOLUGIGN-UHFFFAOYSA-N 0 0 369.464 5.645 1 0 FKAFRN Fc1cc(C(F)(F)F)cc2c1N[C@@H](c1ccccc1)[C@@H]1CCCO[C@H]21 ZINC000049013815 208410599 /nfs/dbraw/zinc/41/05/99/208410599.db2.gz TVVSAVABKGRZOD-OWQGQXMQSA-N 0 0 351.343 5.479 1 0 FKAFRN CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(O)c(F)c1)N2 ZINC000049017356 221016842 /nfs/dbraw/zinc/01/68/42/221016842.db2.gz VIKMOIOVJVDVQY-JHVJFLLYSA-N 0 0 355.453 5.463 1 0 FKAFRN CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000049020492 205166802 /nfs/dbraw/zinc/16/68/02/205166802.db2.gz PXZJGWHGYKHETP-YYWHXJBOSA-N 0 0 355.909 6.272 1 0 FKAFRN Clc1ccc2ncnc(Sc3cccc(Br)c3)c2c1 ZINC000049031439 221016849 /nfs/dbraw/zinc/01/68/49/221016849.db2.gz BCQBJOAEHSUDBF-UHFFFAOYSA-N 0 0 351.656 5.197 1 0 FKAFRN Clc1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 ZINC000049032938 205167407 /nfs/dbraw/zinc/16/74/07/205167407.db2.gz UZCCTVAKBCSSGF-ZDUSSCGKSA-N 0 0 367.861 5.059 1 0 FKAFRN FC(F)(F)c1ccc(Nc2nccc(-c3ccnc4ccccc43)n2)cc1 ZINC000049033300 205168069 /nfs/dbraw/zinc/16/80/69/205168069.db2.gz OKUQNGBVKPVEKM-UHFFFAOYSA-N 0 0 366.346 5.454 1 0 FKAFRN C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000049033626 205166880 /nfs/dbraw/zinc/16/68/80/205166880.db2.gz SHOBDCUSXYTMQM-VWLOTQADSA-N 0 0 370.496 5.939 1 0 FKAFRN C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(-c3ccccc3)cc2)C1 ZINC000049033628 221018287 /nfs/dbraw/zinc/01/82/87/221018287.db2.gz SHOBDCUSXYTMQM-RUZDIDTESA-N 0 0 370.496 5.939 1 0 FKAFRN FC(F)(F)c1ccc(Nc2nccc(-c3cnc4ccccc4c3)n2)cc1 ZINC000049033764 221018215 /nfs/dbraw/zinc/01/82/15/221018215.db2.gz AYQXXWRYLGZZSD-UHFFFAOYSA-N 0 0 366.346 5.454 1 0 FKAFRN CCCCCCc1nc2c(c3ccccc3nc2N)n1Cc1ccccc1 ZINC000049035184 221017811 /nfs/dbraw/zinc/01/78/11/221017811.db2.gz CSAMESIMUONYDS-UHFFFAOYSA-N 0 0 358.489 5.338 1 0 FKAFRN Fc1ccc(-n2ncc3cc(-c4cccc(C(F)(F)F)c4)ccc32)cc1 ZINC000049036509 205168508 /nfs/dbraw/zinc/16/85/08/205168508.db2.gz MBWIUTICWNMOQW-UHFFFAOYSA-N 0 0 356.322 5.850 1 0 FKAFRN CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(Cl)s1)N2 ZINC000049046149 205169142 /nfs/dbraw/zinc/16/91/42/205169142.db2.gz ATRWKMRSGLIGPZ-BKTGTZMESA-N 0 0 361.938 6.334 1 0 FKAFRN CC(C)=CCC/C(C)=C/Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O ZINC000049046738 221018333 /nfs/dbraw/zinc/01/83/33/221018333.db2.gz JKTKEYDAQOHUFQ-OBOBVVSZSA-N 0 0 364.485 6.209 1 0 FKAFRN CCO[P@]1(=O)OC(c2ccccc2)=C(Cl)c2ccc(Cl)cc21 ZINC000049048350 205169344 /nfs/dbraw/zinc/16/93/44/205169344.db2.gz LXNFPFHYSBAELU-QFIPXVFZSA-N 0 0 355.157 5.290 1 0 FKAFRN CCO[P@@]1(=O)OC(c2ccccc2)=C(Cl)c2ccc(Cl)cc21 ZINC000049048354 221017831 /nfs/dbraw/zinc/01/78/31/221017831.db2.gz LXNFPFHYSBAELU-JOCHJYFZSA-N 0 0 355.157 5.290 1 0 FKAFRN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 ZINC000049052313 205169226 /nfs/dbraw/zinc/16/92/26/205169226.db2.gz KZXMFJORGLUXJN-UHFFFAOYSA-N 0 0 364.832 5.153 1 0 FKAFRN Fc1ccc(-n2ncc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1 ZINC000049052691 208412616 /nfs/dbraw/zinc/41/26/16/208412616.db2.gz HLQDKDNOSPNGGW-UHFFFAOYSA-N 0 0 356.322 5.850 1 0 FKAFRN Cc1ccc2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2c1 ZINC000049069528 221018706 /nfs/dbraw/zinc/01/87/06/221018706.db2.gz OPBQEOYYENZZMG-UHFFFAOYSA-N 0 0 372.493 5.046 1 0 FKAFRN CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](c2ccc(Cl)cc2)O1 ZINC000049070729 208413987 /nfs/dbraw/zinc/41/39/87/208413987.db2.gz FPGNAQGJVPLCGL-ZCNNSNEGSA-N 0 0 362.922 5.201 1 0 FKAFRN CCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 ZINC000049070873 221018934 /nfs/dbraw/zinc/01/89/34/221018934.db2.gz UATWOAYHIISFBR-UHFFFAOYSA-N 0 0 370.250 5.089 1 0 FKAFRN CCCC(=O)Nc1n[nH]c2cc(-c3ccccc3)c(-c3ccccc3)cc21 ZINC000049070953 211883582 /nfs/dbraw/zinc/88/35/82/211883582.db2.gz KTRUXAWEUPWZNW-UHFFFAOYSA-N 0 0 355.441 5.636 1 0 FKAFRN Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C2CCCCC2)cc1 ZINC000049070961 221019639 /nfs/dbraw/zinc/01/96/39/221019639.db2.gz JQAFMGFSNLCXDE-UHFFFAOYSA-N 0 0 359.395 5.810 1 0 FKAFRN CCCC(CCC)C(=O)O[C@H](Cn1ccnc1)c1ccc2ccccc2c1 ZINC000049071498 221018646 /nfs/dbraw/zinc/01/86/46/221018646.db2.gz UELLYDDCZGLDBP-JOCHJYFZSA-N 0 0 364.489 5.537 1 0 FKAFRN C(=Cc1ccccc1)c1n[nH]c2cc(N3CCCC3)c(-c3ccncc3)cc12 ZINC000049071678 208412420 /nfs/dbraw/zinc/41/24/20/208412420.db2.gz FHSKCOBLBQSSQE-CMDGGOBGSA-N 0 0 366.468 5.396 1 0 FKAFRN O=C(c1ccc2ccccc2c1)N(Cc1ccncc1)c1ccc(F)cc1 ZINC000049072460 221019696 /nfs/dbraw/zinc/01/96/96/221019696.db2.gz JWSRXJUODGKWIE-UHFFFAOYSA-N 0 0 356.400 5.221 1 0 FKAFRN FC(F)(F)Oc1ccc2nc(NC(=S)Nc3ccccc3)sc2c1 ZINC000049072666 205168712 /nfs/dbraw/zinc/16/87/12/205168712.db2.gz ZEFQXHAIKHWNJW-UHFFFAOYSA-N 0 0 369.393 5.004 1 0 FKAFRN O=C(Nc1nccs1)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049072909 205169174 /nfs/dbraw/zinc/16/91/74/205169174.db2.gz RYWBGLSCOFFRJE-CYBMUJFWSA-N 0 0 369.317 5.753 1 0 FKAFRN O=C(Nc1nccs1)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000049072911 205168152 /nfs/dbraw/zinc/16/81/52/205168152.db2.gz RYWBGLSCOFFRJE-ZDUSSCGKSA-N 0 0 369.317 5.753 1 0 FKAFRN Nc1ncnc2c1sc1nc3c(c(-c4ccco4)c12)CCCCCCC3 ZINC000049073006 205168458 /nfs/dbraw/zinc/16/84/58/205168458.db2.gz WMISFEODCMGWDV-UHFFFAOYSA-N 0 0 364.474 5.131 1 0 FKAFRN Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C2)cc1 ZINC000049109525 221019193 /nfs/dbraw/zinc/01/91/93/221019193.db2.gz CPFFKDKUQAVLKM-NRFANRHFSA-N 0 0 365.885 6.404 1 0 FKAFRN Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C2)cc1 ZINC000049109527 205168577 /nfs/dbraw/zinc/16/85/77/205168577.db2.gz CPFFKDKUQAVLKM-OAQYLSRUSA-N 0 0 365.885 6.404 1 0 FKAFRN Clc1cc(Cl)c(N2COc3ccc4ccccc4c3C2)c(Cl)c1 ZINC000049109951 132953273 /nfs/dbraw/zinc/95/32/73/132953273.db2.gz FATIXJMTSOVWHW-UHFFFAOYSA-N 0 0 364.659 6.157 1 0 FKAFRN Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(C)cc2)c(-c2ccccc2)[nH]1 ZINC000049110218 205169423 /nfs/dbraw/zinc/16/94/23/205169423.db2.gz SDEKISRDGQEPLX-UHFFFAOYSA-N 0 0 363.464 6.509 1 0 FKAFRN CCC(=O)Oc1c2c3c(cc1C(C)C)CC[C@@H]1[C@@]3(CCCC1(C)C)C(=O)O2 ZINC000049110299 205169488 /nfs/dbraw/zinc/16/94/88/205169488.db2.gz LQMGPWHTAOAULT-QMHKHESXSA-N 0 0 370.489 5.055 1 0 FKAFRN Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C ZINC000049110315 205168415 /nfs/dbraw/zinc/16/84/15/205168415.db2.gz HHUHDROQLLILRW-CPJSRVTESA-N 0 0 361.529 6.011 1 0 FKAFRN O=C(c1ccc2ccccc2c1)N(Cc1ccc(F)cc1)c1ccncc1 ZINC000049112024 205170355 /nfs/dbraw/zinc/17/03/55/205170355.db2.gz MQJXOIDGELXEHE-UHFFFAOYSA-N 0 0 356.400 5.221 1 0 in-vivo FKAFRN COc1cccc([C@@H]2CC(c3ccc(O)cc3)=Nc3ccccc3S2)c1 ZINC000049112737 221019228 /nfs/dbraw/zinc/01/92/28/221019228.db2.gz MWVJGYDTYUJMMS-QFIPXVFZSA-N 0 0 361.466 5.759 1 0 FKAFRN CSc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2ccccc2)cc1 ZINC000049113089 208415150 /nfs/dbraw/zinc/41/51/50/208415150.db2.gz WTUPPCHNDFCPDL-QHCPKHFHSA-N 0 0 358.510 6.073 1 0 FKAFRN Cc1nc2ccc(-c3ccccc3)cn2c1C(=O)Nc1ccccc1Cl ZINC000049114974 205171160 /nfs/dbraw/zinc/17/11/60/205171160.db2.gz WHMNCKBUNQISMC-UHFFFAOYSA-N 0 0 361.832 5.215 1 0 FKAFRN Fc1cc(Cl)ccc1Nc1ncnc2[nH]c(CCc3ccccc3)cc21 ZINC000049115037 221019378 /nfs/dbraw/zinc/01/93/78/221019378.db2.gz OLTGDTOUJBNHPA-UHFFFAOYSA-N 0 0 366.827 5.279 1 0 FKAFRN Cc1cc2[nH]nc(C=Cc3ccccc3)c2cc1NC(=O)Cc1ccccc1 ZINC000049116339 205170881 /nfs/dbraw/zinc/17/08/81/205170881.db2.gz VYAAXBSGJBZIIN-OUKQBFOZSA-N 0 0 367.452 5.223 1 0 FKAFRN Cc1cc2[nH]nc(C=Cc3ccccc3)c2cc1NC(=O)Cc1cccs1 ZINC000049126277 221019679 /nfs/dbraw/zinc/01/96/79/221019679.db2.gz UDKDYWHGVWVLDY-MDZDMXLPSA-N 0 0 373.481 5.284 1 0 FKAFRN Fc1cccc(-c2nc3ccccc3c3oc(NCc4ccccc4)nc32)c1 ZINC000049525643 205173622 /nfs/dbraw/zinc/17/36/22/205173622.db2.gz ZECIKXZUSNCJDM-UHFFFAOYSA-N 0 0 369.399 5.794 1 0 FKAFRN CSc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 ZINC000049785359 221027625 /nfs/dbraw/zinc/02/76/25/221027625.db2.gz SNUAJIKHMBJYJY-QFIPXVFZSA-N 0 0 362.473 5.903 1 0 FKAFRN CSc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1 ZINC000049785360 211894439 /nfs/dbraw/zinc/89/44/39/211894439.db2.gz SNUAJIKHMBJYJY-JOCHJYFZSA-N 0 0 362.473 5.903 1 0 FKAFRN COc1cccc(C2=NN(c3ccccc3)[C@H](c3ccc(SC)cc3)C2)c1 ZINC000049785584 221027601 /nfs/dbraw/zinc/02/76/01/221027601.db2.gz RMEGAZPEHLXHAN-QHCPKHFHSA-N 0 0 374.509 5.773 1 0 FKAFRN COc1cccc(C2=NN(c3ccccc3)[C@@H](c3ccc(SC)cc3)C2)c1 ZINC000049785585 221027596 /nfs/dbraw/zinc/02/75/96/221027596.db2.gz RMEGAZPEHLXHAN-HSZRJFAPSA-N 0 0 374.509 5.773 1 0 FKAFRN COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(SC)cc3)C2)cc1 ZINC000049785824 221028216 /nfs/dbraw/zinc/02/82/16/221028216.db2.gz ZCKJJYLNUDINKF-QHCPKHFHSA-N 0 0 374.509 5.773 1 0 FKAFRN COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(SC)cc3)C2)cc1 ZINC000049785825 221027551 /nfs/dbraw/zinc/02/75/51/221027551.db2.gz ZCKJJYLNUDINKF-HSZRJFAPSA-N 0 0 374.509 5.773 1 0 FKAFRN Cc1ccc2[nH]c3c(c2c1)CCN(Cc1ccccc1)[C@H]3c1cccc(O)c1 ZINC000049802698 221027665 /nfs/dbraw/zinc/02/76/65/221027665.db2.gz OQJGJXUXOAVASJ-VWLOTQADSA-N 0 0 368.480 5.330 1 0 FKAFRN CCCC(=O)N1CCc2c3cc(C)ccc3[nH]c2[C@@H]1c1c[nH]c2ccccc21 ZINC000049802920 581095341 /nfs/dbraw/zinc/09/53/41/581095341.db2.gz CHMVOPXQGXZRQW-DEOSSOPVSA-N 0 0 371.484 5.232 1 0 FKAFRN CCCC(=O)N1CCc2c3cc(C)ccc3[nH]c2[C@H]1c1c[nH]c2ccccc21 ZINC000049802921 581095358 /nfs/dbraw/zinc/09/53/58/581095358.db2.gz CHMVOPXQGXZRQW-XMMPIXPASA-N 0 0 371.484 5.232 1 0 FKAFRN CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2C1 ZINC000049802944 221027535 /nfs/dbraw/zinc/02/75/35/221027535.db2.gz FXKCJZZFKWOKFW-UHFFFAOYSA-N 0 0 361.872 6.224 1 0 FKAFRN Cc1nccc2c3ccc(OC(C)C)cc3n(CCCc3ccccc3)c21 ZINC000049802988 221027909 /nfs/dbraw/zinc/02/79/09/221027909.db2.gz IFYHTKVNERABAG-UHFFFAOYSA-N 0 0 358.485 5.918 1 0 FKAFRN COc1ccc(-c2cc(-c3ccccc3)nc3c2C(=O)CC(C)(C)C3)cc1 ZINC000049803171 221028365 /nfs/dbraw/zinc/02/83/65/221028365.db2.gz YGBWOKOTWGJRMP-UHFFFAOYSA-N 0 0 357.453 5.579 1 0 FKAFRN Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)C(C)C)[C@@H]3c1c[nH]c2ccccc21 ZINC000049803216 208422767 /nfs/dbraw/zinc/42/27/67/208422767.db2.gz ULMFDNAJIHOEAQ-HSZRJFAPSA-N 0 0 371.484 5.088 1 0 FKAFRN O=c1c(-c2ccc(O)cc2)coc2cccc(OCC3CCCCC3)c12 ZINC000049803819 211894844 /nfs/dbraw/zinc/89/48/44/211894844.db2.gz ZBPRFMSQYTURQA-UHFFFAOYSA-N 0 0 350.414 5.125 1 0 FKAFRN CCn1c2ccccc2c2c1ccc1c2OCN(Cc2ccc(C)cc2)C1 ZINC000049803874 221028179 /nfs/dbraw/zinc/02/81/79/221028179.db2.gz IBFUBYZOPVWJMV-UHFFFAOYSA-N 0 0 356.469 5.475 1 0 FKAFRN Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1 ZINC000049807552 221028098 /nfs/dbraw/zinc/02/80/98/221028098.db2.gz MORGQZLXXVBLBF-UHFFFAOYSA-N 0 0 367.404 5.933 1 0 FKAFRN Cc1cc(C(F)(F)F)ccc1Nc1ncnc2c1Cc1ccccc1O2 ZINC000049807576 208423070 /nfs/dbraw/zinc/42/30/70/208423070.db2.gz CVMMKLWFOQPJEB-UHFFFAOYSA-N 0 0 357.335 5.244 1 0 FKAFRN COc1ccc2c(c1)O[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)C2=O ZINC000049808243 221027748 /nfs/dbraw/zinc/02/77/48/221027748.db2.gz XCTQFDUXJBEYQJ-IFMALSPDSA-N 0 0 364.828 5.449 1 0 FKAFRN COc1ccc2c(c1)O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)C2=O ZINC000049808244 221027726 /nfs/dbraw/zinc/02/77/26/221027726.db2.gz XCTQFDUXJBEYQJ-IRLDBZIGSA-N 0 0 364.828 5.449 1 0 FKAFRN COc1ccc2c(c1)O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)C2=O ZINC000049808245 221028362 /nfs/dbraw/zinc/02/83/62/221028362.db2.gz XCTQFDUXJBEYQJ-RBBKRZOGSA-N 0 0 364.828 5.449 1 0 FKAFRN CC(C)=CCn1c2ccccc2c2c1ccc1c2OCN(c2ccccc2)C1 ZINC000049808673 535371744 /nfs/dbraw/zinc/37/17/44/535371744.db2.gz YWMWEFKVIYTVCC-UHFFFAOYSA-N 0 0 368.480 6.117 1 0 FKAFRN CCSc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000049863691 211895206 /nfs/dbraw/zinc/89/52/06/211895206.db2.gz CEDVMLWQKREDLS-UHFFFAOYSA-N 0 0 362.285 5.624 1 0 FKAFRN Cc1cc2c(=O)cc(-c3ccncc3)oc2c([C@@H](C)Nc2ccccc2)c1 ZINC000051768839 205184348 /nfs/dbraw/zinc/18/43/48/205184348.db2.gz BWCHMAXKQWYVNL-MRXNPFEDSA-N 0 0 356.425 5.337 1 0 FKAFRN Cc1cc2c(=O)cc(-c3ccncc3)oc2c([C@H](C)Nc2ccccc2)c1 ZINC000051768840 205183026 /nfs/dbraw/zinc/18/30/26/205183026.db2.gz 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O=c1c2ccccc2oc(-c2ccccc2)c1OCc1ccc(Cl)nc1 ZINC000053243896 221044823 /nfs/dbraw/zinc/04/48/23/221044823.db2.gz ACEALYHREXDVNY-UHFFFAOYSA-N 0 0 363.800 5.087 1 0 FKAFRN FC(F)(F)c1nc2cc(Oc3cccc4ccccc43)c(Cl)cc2[nH]1 ZINC000053276440 221044796 /nfs/dbraw/zinc/04/47/96/221044796.db2.gz MFAYVIPNXARIGH-UHFFFAOYSA-N 0 0 362.738 6.181 1 0 FKAFRN Cn1c2ccc(Oc3cccc(Cl)c3Cl)cc2nc1C(F)(F)F ZINC000053276651 208444755 /nfs/dbraw/zinc/44/47/55/208444755.db2.gz MUACZBOPEYIOKV-UHFFFAOYSA-N 0 0 361.150 5.691 1 0 FKAFRN S=c1oc2ccc(Br)cc2c(=S)n1Cc1ccccc1 ZINC000053295710 205191883 /nfs/dbraw/zinc/19/18/83/205191883.db2.gz MVXOKOVYKZGWJK-UHFFFAOYSA-N 0 0 364.289 5.504 1 0 FKAFRN CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1Cl ZINC000053296049 205191800 /nfs/dbraw/zinc/19/18/00/205191800.db2.gz UEQVVKSOVWSICC-QGZVFWFLSA-N 0 0 367.663 5.344 1 0 FKAFRN CC(C)(C)c1ccc(-c2cnc(Nc3cccc4c3C[C@H](O)CC4)o2)cc1 ZINC000053297117 205192195 /nfs/dbraw/zinc/19/21/95/205192195.db2.gz XPYZHUCGSARLAB-GOSISDBHSA-N 0 0 362.473 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AMPFDJPYAXBAGV-UHFFFAOYSA-N 0 0 374.871 5.834 1 0 FKAFRN O=C1c2cccc(Cl)c2[C@H](Cc2ccccc2)c2cccc(Cl)c21 ZINC000058502245 212011957 /nfs/dbraw/zinc/01/19/57/212011957.db2.gz JALNFPAQHPYTTE-MRXNPFEDSA-N 0 0 353.248 5.912 1 0 FKAFRN CCC(=O)c1cc2c(o1)C[C@@H]1CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 ZINC000058504409 221120944 /nfs/dbraw/zinc/12/09/44/221120944.db2.gz BRNOSSNGWQHLRG-DQTBYFELSA-N 0 0 370.533 5.191 1 0 FKAFRN Clc1cc(-c2csc(-c3cccc4cccnc43)n2)c(Cl)s1 ZINC000058512163 205276018 /nfs/dbraw/zinc/27/60/18/205276018.db2.gz AEMJWHXTZZXLBM-UHFFFAOYSA-N 0 0 363.294 6.394 1 0 FKAFRN Cc1ccc(-c2ccc3nccc(Nc4cc(Cl)ccc4O)c3c2)cc1 ZINC000058520070 212011941 /nfs/dbraw/zinc/01/19/41/212011941.db2.gz PXNPRPSSJLMRRN-UHFFFAOYSA-N 0 0 360.844 6.313 1 0 FKAFRN CC(C)=CCN1CC[C@]2(CC=C(C)C)c3ccccc3N(CC=C(C)C)[C@H]12 ZINC000058528551 221120257 /nfs/dbraw/zinc/12/02/57/221120257.db2.gz QXNSFPSGHIXUGR-LOSJGSFVSA-N 0 0 364.577 6.065 1 0 FKAFRN Cc1cc(/C=C/c2ccc(C(=O)Oc3ccc(F)cc3)cc2)cc(C)c1O 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CC[C@@H](C)[C@@]1(C2CC2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000058583178 212012083 /nfs/dbraw/zinc/01/20/83/212012083.db2.gz UQXDHWQVXMPCQL-BMLIUANNSA-N 0 0 360.807 5.401 1 0 FKAFRN CCCCCC1=NN(C(=O)NC2CCCCCCC2)C[C@@H]1c1ccccc1 ZINC000058583508 208586082 /nfs/dbraw/zinc/58/60/82/208586082.db2.gz ZZXRSBQQNVJSCT-OAQYLSRUSA-N 0 0 369.553 5.845 1 0 FKAFRN CCCCN(CCCC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2 ZINC000058590891 205278005 /nfs/dbraw/zinc/27/80/05/205278005.db2.gz WREUZWMVENJQSM-UHFFFAOYSA-N 0 0 367.562 5.320 1 0 FKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1cc(-c2cccc(O)c2)nn1 ZINC000059242908 212015041 /nfs/dbraw/zinc/01/50/41/212015041.db2.gz HSJZKBKJKGJHPA-GNUCVDFRSA-N 0 0 365.521 6.070 1 0 FKAFRN O=C1Nc2ccc(Br)cc2/C1=C\c1ccc2cccccc1-2 ZINC000059260965 212015057 /nfs/dbraw/zinc/01/50/57/212015057.db2.gz XOYQROSFUKTOQG-LICLKQGHSA-N 0 0 350.215 5.047 1 0 FKAFRN Cc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2c1 ZINC000059477213 205281531 /nfs/dbraw/zinc/28/15/31/205281531.db2.gz HWLHEEZLKPYCNT-UHFFFAOYSA-N 0 0 372.449 5.088 1 0 FKAFRN CC(=O)O/C=C1/C[C@@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000059586695 291086559 /nfs/dbraw/zinc/08/65/59/291086559.db2.gz BYUMYSPTNUHTMR-RSCCGYSOSA-N 0 0 374.521 5.263 1 0 biogenic,in-vitro FKAFRN CC(C)=C[C@@H](C)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc21 ZINC000059587915 291087193 /nfs/dbraw/zinc/08/71/93/291087193.db2.gz JBZAHTJTVMZHDQ-UBYXTUIOSA-N 0 0 352.430 5.857 1 0 biogenic,in-vitro FKAFRN CC(=O)O/C=C1\C[C@@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000059588303 291086567 /nfs/dbraw/zinc/08/65/67/291086567.db2.gz BYUMYSPTNUHTMR-LRACIEDFSA-N 0 0 374.521 5.263 1 0 biogenic,in-vitro FKAFRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)C1CCCCC1 ZINC000059681302 212016588 /nfs/dbraw/zinc/01/65/88/212016588.db2.gz RQJXIMZFINSTGS-UHFFFAOYSA-N 0 0 354.837 5.667 1 0 FKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687925 208590547 /nfs/dbraw/zinc/59/05/47/208590547.db2.gz FRKKSADPOQHIHY-IAGOWNOFSA-N 0 0 367.533 6.705 1 0 FKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687928 212017456 /nfs/dbraw/zinc/01/74/56/212017456.db2.gz FRKKSADPOQHIHY-DLBZAZTESA-N 0 0 367.533 6.705 1 0 FKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(OC)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687930 205281294 /nfs/dbraw/zinc/28/12/94/205281294.db2.gz FRKKSADPOQHIHY-SJORKVTESA-N 0 0 367.533 6.705 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(=O)CC1=C2C[C@H](C)CC1 ZINC000059944359 221128402 /nfs/dbraw/zinc/12/84/02/221128402.db2.gz LSFAPUUSJYJVHB-MRXNPFEDSA-N 0 0 370.533 6.523 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(=O)CC1=C2C[C@@H](C)CC1 ZINC000059944361 212018813 /nfs/dbraw/zinc/01/88/13/212018813.db2.gz LSFAPUUSJYJVHB-INIZCTEOSA-N 0 0 370.533 6.523 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OCCC1=C2C[C@H](C)CC1 ZINC000059944793 205282715 /nfs/dbraw/zinc/28/27/15/205282715.db2.gz DWKQOWNAPBCOCM-QGZVFWFLSA-N 0 0 356.550 6.996 1 0 FKAFRN CCCCCCC(C)(C)c1cc(O)c2c(c1)OCCC1=C2C[C@@H](C)CC1 ZINC000059944794 212018756 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CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(C(C)C)cc1 ZINC000066252198 136136779 /nfs/dbraw/zinc/13/67/79/136136779.db2.gz YCPSPZNZNFKNHY-UHFFFAOYSA-N 0 0 363.501 5.937 1 0 FKAFRN COc1c(C(C)(C)C)cc(/C=C/c2cc(O)cc(O)c2)cc1C(C)(C)C ZINC000066252443 221242362 /nfs/dbraw/zinc/24/23/62/221242362.db2.gz MCLUTQURDBHYQQ-CMDGGOBGSA-N 0 0 354.490 5.872 1 0 FKAFRN O=C1N(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1(Cl)Cl ZINC000066258639 221243851 /nfs/dbraw/zinc/24/38/51/221243851.db2.gz KNDFUCSACZHNGV-CYBMUJFWSA-N 0 0 361.055 5.255 1 0 FKAFRN O=C1N(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1(Cl)Cl ZINC000066258640 208695868 /nfs/dbraw/zinc/69/58/68/208695868.db2.gz KNDFUCSACZHNGV-ZDUSSCGKSA-N 0 0 361.055 5.255 1 0 FKAFRN Cc1cc(C)cc(-c2cc3cc(OC(F)(F)F)ccc3n2C[C@H](C)O)c1 ZINC000066258725 221244006 /nfs/dbraw/zinc/24/40/06/221244006.db2.gz LEPSNUKXKULMID-AWEZNQCLSA-N 0 0 363.379 5.205 1 0 FKAFRN CC(C)(C)c1cc(/C=C/C=C/c2cc(O)cc(O)c2)cc(C(C)(C)C)c1O ZINC000066258884 221244111 /nfs/dbraw/zinc/24/41/11/221244111.db2.gz RKFUXRDBQPOJIU-FIFLTTCUSA-N 0 0 366.501 6.125 1 0 FKAFRN COc1ccc(F)c([C@H](Nc2ccc(F)cc2F)[C@@H]2CCCCC2=O)c1 ZINC000066258948 221243831 /nfs/dbraw/zinc/24/38/31/221243831.db2.gz ZEAXPHLFWYGMJF-JLTOFOAXSA-N 0 0 363.379 5.025 1 0 FKAFRN COc1ccc(F)c([C@H](Nc2ccc(F)cc2F)[C@H]2CCCCC2=O)c1 ZINC000066258950 221243527 /nfs/dbraw/zinc/24/35/27/221243527.db2.gz ZEAXPHLFWYGMJF-VBKZILBWSA-N 0 0 363.379 5.025 1 0 FKAFRN COc1ccc(F)c([C@@H](Nc2ccc(F)cc2F)[C@H]2CCCCC2=O)c1 ZINC000066258951 205365638 /nfs/dbraw/zinc/36/56/38/205365638.db2.gz ZEAXPHLFWYGMJF-XOBRGWDASA-N 0 0 363.379 5.025 1 0 FKAFRN CC(=O)Oc1cc2c(cc1Cl)N(Cc1ccccc1)C(C)(C)C=C2C ZINC000066259342 136136803 /nfs/dbraw/zinc/13/68/03/136136803.db2.gz VSXTYHFYVZDUBM-UHFFFAOYSA-N 0 0 355.865 5.467 1 0 FKAFRN Cc1nccn1CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000066259564 205366092 /nfs/dbraw/zinc/36/60/92/205366092.db2.gz HSGJOWAKEABYHO-IBGZPJMESA-N 0 0 360.379 5.421 1 0 FKAFRN Cc1nccn1CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000066259565 205365851 /nfs/dbraw/zinc/36/58/51/205365851.db2.gz HSGJOWAKEABYHO-LJQANCHMSA-N 0 0 360.379 5.421 1 0 FKAFRN CCCCCn1cc(NC(=O)C2CCCCC2)c(=O)cc1-c1ccccc1 ZINC000066259652 221243799 /nfs/dbraw/zinc/24/37/99/221243799.db2.gz FDWCSFDJVYUHFD-UHFFFAOYSA-N 0 0 366.505 5.224 1 0 FKAFRN CCCCCn1cc(NC(=O)OC(C)(C)C)c(=O)cc1-c1ccccc1 ZINC000066260143 205365660 /nfs/dbraw/zinc/36/56/60/205365660.db2.gz UFDYDJZMNDNHGH-UHFFFAOYSA-N 0 0 356.466 5.053 1 0 FKAFRN O=C1CCCC[C@H]1[C@H](Nc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000066262115 221244243 /nfs/dbraw/zinc/24/42/43/221244243.db2.gz HGKWHIVQQLOUTG-NLFFAJNJSA-N 0 0 369.464 6.499 1 0 FKAFRN O=C1CCCC[C@@H]1[C@@H](Nc1cccc2ccccc21)c1cc2ccccc2o1 ZINC000066262118 205365327 /nfs/dbraw/zinc/36/53/27/205365327.db2.gz HGKWHIVQQLOUTG-NBGIEHNGSA-N 0 0 369.464 6.499 1 0 FKAFRN COC(=O)c1sc2cc(-c3ccc(-c4cccs4)s3)cnc2c1N ZINC000066262350 205365228 /nfs/dbraw/zinc/36/52/28/205365228.db2.gz VAYZTCSEOHKXML-UHFFFAOYSA-N 0 0 372.496 5.122 1 0 FKAFRN CCc1ccc([C@H](Nc2cc(F)c(F)c(F)c2)[C@@H]2CCCCC2=O)cc1 ZINC000066262507 221243869 /nfs/dbraw/zinc/24/38/69/221243869.db2.gz GDZPAIJJZDKKON-IERDGZPVSA-N 0 0 361.407 5.579 1 0 FKAFRN CCc1ccc([C@@H](Nc2cc(F)c(F)c(F)c2)[C@@H]2CCCCC2=O)cc1 ZINC000066262509 205365399 /nfs/dbraw/zinc/36/53/99/205365399.db2.gz GDZPAIJJZDKKON-IIBYNOLFSA-N 0 0 361.407 5.579 1 0 FKAFRN CCc1ccc([C@@H](Nc2cc(F)c(F)c(F)c2)[C@H]2CCCCC2=O)cc1 ZINC000066262513 221244242 /nfs/dbraw/zinc/24/42/42/221244242.db2.gz GDZPAIJJZDKKON-HRAATJIYSA-N 0 0 361.407 5.579 1 0 FKAFRN CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]3CC2)O1 ZINC000070455260 291087180 /nfs/dbraw/zinc/08/71/80/291087180.db2.gz FJZIWOWYBFGDBI-PSZCFUFSSA-N 0 0 362.554 5.078 1 0 biogenic,in-vitro FKAFRN CCCC/C=C/C=C/CCCCCCCCOC(=O)/C=C/c1ccccc1 ZINC000070455454 291087478 /nfs/dbraw/zinc/08/74/78/291087478.db2.gz DNAHWQAKHYPIOQ-WOFLFUJHSA-N 0 0 368.561 7.276 1 0 biogenic,in-vitro FKAFRN CCNC(=O)CC1=C/C(=C/c2ccc(SC)cc2)c2ccc(F)cc21 ZINC000071296800 221341871 /nfs/dbraw/zinc/34/18/71/221341871.db2.gz NWCDEVPOADRSSY-GDNBJRDFSA-N 0 0 353.462 5.011 1 0 FKAFRN O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000071318351 221342428 /nfs/dbraw/zinc/34/24/28/221342428.db2.gz BLXNZXIHYBBFMU-NRFANRHFSA-N 0 0 366.420 5.424 1 0 FKAFRN O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000071318352 205426170 /nfs/dbraw/zinc/42/61/70/205426170.db2.gz BLXNZXIHYBBFMU-OAQYLSRUSA-N 0 0 366.420 5.424 1 0 FKAFRN CCCCCCC1=C(c2ccccc2)[C@]2(OC[C@@H](C)CC)CCC[C@@H]2C1 ZINC000071319146 221342968 /nfs/dbraw/zinc/34/29/68/221342968.db2.gz RMTGTFVDFHBPQH-ZWSUVBHBSA-N 0 0 354.578 7.416 1 0 FKAFRN CCCCCCC1=C(c2ccccc2)[C@]2(OC[C@H](C)CC)CCC[C@@H]2C1 ZINC000071319147 221342521 /nfs/dbraw/zinc/34/25/21/221342521.db2.gz RMTGTFVDFHBPQH-XRODADMRSA-N 0 0 354.578 7.416 1 0 FKAFRN CCCCCCC1=C(c2ccccc2)[C@]2(OCc3ccccc3)CCC[C@@H]2C1 ZINC000071329498 221343701 /nfs/dbraw/zinc/34/37/01/221343701.db2.gz BIGWEXCZUZTNDX-VPUSJEBWSA-N 0 0 374.568 7.570 1 0 FKAFRN CN(C)c1ccc(-c2cn3c4ccc(Br)cc4sc3n2)cc1 ZINC000071331637 221343914 /nfs/dbraw/zinc/34/39/14/221343914.db2.gz TYOPSHXPBDWPOM-UHFFFAOYSA-N 0 0 372.291 5.045 1 0 FKAFRN CNc1ccc(-c2cn3c4ccc(Br)cc4sc3n2)cc1 ZINC000071333023 221343684 /nfs/dbraw/zinc/34/36/84/221343684.db2.gz UORKHNIMSYAYIM-UHFFFAOYSA-N 0 0 358.264 5.020 1 0 FKAFRN COc1ccc2[nH]cc([C@H](c3ccc(C)cc3)N(C)c3ccccc3)c2c1 ZINC000071334227 221343714 /nfs/dbraw/zinc/34/37/14/221343714.db2.gz KNBBFBWTFCAUNZ-DEOSSOPVSA-N 0 0 356.469 5.711 1 0 FKAFRN O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCc2ccccc21 ZINC000071334741 221343565 /nfs/dbraw/zinc/34/35/65/221343565.db2.gz VMZNCJBPYXTBME-UHFFFAOYSA-N 0 0 358.224 5.456 1 0 FKAFRN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)c2ccccc2)c(OC)c1 ZINC000071335393 221343516 /nfs/dbraw/zinc/34/35/16/221343516.db2.gz LHSBSVROMKIZDW-DEOSSOPVSA-N 0 0 372.468 5.411 1 0 FKAFRN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)c2ccccc2)c(OC)c1 ZINC000071335396 205428478 /nfs/dbraw/zinc/42/84/78/205428478.db2.gz LHSBSVROMKIZDW-XMMPIXPASA-N 0 0 372.468 5.411 1 0 FKAFRN COc1ccc([C@@H](c2c[nH]c3ccc(OC)cc32)N(C)c2ccccc2)cc1 ZINC000071340299 221343821 /nfs/dbraw/zinc/34/38/21/221343821.db2.gz IKZGFXSFCCKNRO-DEOSSOPVSA-N 0 0 372.468 5.411 1 0 FKAFRN O=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000071340392 221343507 /nfs/dbraw/zinc/34/35/07/221343507.db2.gz YEBAWYVHPNUTJE-UHFFFAOYSA-N 0 0 350.727 5.024 1 0 FKAFRN O[C@@H]1c2ccccc2C[C@@]1(Cc1ccccc1)C1=Cc2ccccc2CC1 ZINC000071340480 221344206 /nfs/dbraw/zinc/34/42/06/221344206.db2.gz VLHRUWJMZKYRCS-FTJBHMTQSA-N 0 0 352.477 5.535 1 0 FKAFRN COc1cc(-c2nc(C)nc3[nH]c(C)c(Cl)c32)c(Cl)cc1Cl ZINC000071340965 221343952 /nfs/dbraw/zinc/34/39/52/221343952.db2.gz AXILFFFRRPESNK-UHFFFAOYSA-N 0 0 356.640 5.211 1 0 FKAFRN CN(c1ccccc1)[C@@H](c1cn(C)c2ccccc12)c1ccc(Cl)cc1 ZINC000071340973 208763059 /nfs/dbraw/zinc/76/30/59/208763059.db2.gz KQPWPJQDWZIGMG-HSZRJFAPSA-N 0 0 360.888 6.058 1 0 FKAFRN CN(c1ccccc1)[C@H](c1cn(C)c2ccccc12)c1ccc(Cl)cc1 ZINC000071340974 221343974 /nfs/dbraw/zinc/34/39/74/221343974.db2.gz KQPWPJQDWZIGMG-QHCPKHFHSA-N 0 0 360.888 6.058 1 0 FKAFRN O=C(Nc1ccc(N2CCCCC2)cc1)Nc1ccnc2c(F)cccc12 ZINC000071340997 136138898 /nfs/dbraw/zinc/13/88/98/136138898.db2.gz YQSSAVQNHDJIFV-UHFFFAOYSA-N 0 0 364.424 5.008 1 0 FKAFRN C[C@@](Cc1ccccc1)(C1=Cc2ccccc2CC1)[C@H](O)c1ccccc1 ZINC000071341772 205428835 /nfs/dbraw/zinc/42/88/35/205428835.db2.gz MFPYOOVWBRXSDG-CLJLJLNGSA-N 0 0 354.493 5.999 1 0 FKAFRN C[C@](Cc1ccccc1)(C1=Cc2ccccc2CC1)[C@@H](O)c1ccccc1 ZINC000071341775 221345462 /nfs/dbraw/zinc/34/54/62/221345462.db2.gz MFPYOOVWBRXSDG-UIOOFZCWSA-N 0 0 354.493 5.999 1 0 FKAFRN O[C@H]1c2ccccc2CC[C@]1(Cc1ccccc1)C1=Cc2ccccc2C1 ZINC000071341854 221345495 /nfs/dbraw/zinc/34/54/95/221345495.db2.gz OJQJHFSPUMBXJM-UIOOFZCWSA-N 0 0 352.477 5.535 1 0 FKAFRN O[C@H]1c2ccccc2CC[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1 ZINC000071341855 205427942 /nfs/dbraw/zinc/42/79/42/205427942.db2.gz OJQJHFSPUMBXJM-IZZNHLLZSA-N 0 0 352.477 5.535 1 0 FKAFRN O[C@@H]1c2ccccc2CC[C@]1(Cc1ccccc1)C1=Cc2ccccc2C1 ZINC000071341856 221344740 /nfs/dbraw/zinc/34/47/40/221344740.db2.gz OJQJHFSPUMBXJM-FTJBHMTQSA-N 0 0 352.477 5.535 1 0 FKAFRN O[C@@H]1c2ccccc2CC[C@@]1(Cc1ccccc1)C1=Cc2ccccc2C1 ZINC000071341857 221345385 /nfs/dbraw/zinc/34/53/85/221345385.db2.gz OJQJHFSPUMBXJM-CLJLJLNGSA-N 0 0 352.477 5.535 1 0 FKAFRN Cc1ccc(C[C@]2(/C=C/c3ccccc3)CCc3ccccc3[C@H]2O)cc1 ZINC000071342081 205428349 /nfs/dbraw/zinc/42/83/49/205428349.db2.gz GOQBRVPIIFWKRS-WDJSDFQHSA-N 0 0 354.493 5.917 1 0 FKAFRN Cc1ccc(C[C@@]2(/C=C/c3ccccc3)CCc3ccccc3[C@H]2O)cc1 ZINC000071342082 221345158 /nfs/dbraw/zinc/34/51/58/221345158.db2.gz GOQBRVPIIFWKRS-CRDUHYBCSA-N 0 0 354.493 5.917 1 0 FKAFRN COc1cc([C@@H]2Nc3ccccc3-n3c2cc2c3cccc2C)ccc1O ZINC000071416572 221347849 /nfs/dbraw/zinc/34/78/49/221347849.db2.gz KZALGVCOWZRFCI-QHCPKHFHSA-N 0 0 356.425 5.168 1 0 FKAFRN O=C(c1ccc(Cl)cc1)N1c2ccccc2Oc2ccc(Cl)cc21 ZINC000072107173 136141795 /nfs/dbraw/zinc/14/17/95/136141795.db2.gz YHBBUZXDZRYQQK-UHFFFAOYSA-N 0 0 356.208 6.078 1 0 FKAFRN CCOC(=O)/C=C1\CC[C@H]2[C@@H]3CCc4cc(O)c(CC)cc4[C@H]3CC[C@]12C ZINC000072107216 205468151 /nfs/dbraw/zinc/46/81/51/205468151.db2.gz PJLDNPREIIPBAG-JGESOKOASA-N 0 0 368.517 5.300 1 0 FKAFRN O=C(c1ccc2c(c1)OCO2)N1c2ccccc2Oc2ccc(Cl)cc21 ZINC000072107375 136141889 /nfs/dbraw/zinc/14/18/89/136141889.db2.gz WDLHAJUCTSPIJB-UHFFFAOYSA-N 0 0 365.772 5.153 1 0 FKAFRN COc1ccc(C(=O)N2c3ccccc3Sc3ccc(OC)cc32)cc1 ZINC000072107485 136141865 /nfs/dbraw/zinc/14/18/65/136141865.db2.gz NICSWFSRGKZRGI-UHFFFAOYSA-N 0 0 363.438 5.147 1 0 FKAFRN CC(C)(C)c1ccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000072107607 205468121 /nfs/dbraw/zinc/46/81/21/205468121.db2.gz RQGCKSRATVIWJC-RUZDIDTESA-N 0 0 365.561 6.313 1 0 FKAFRN COc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1O ZINC000072107915 136141846 /nfs/dbraw/zinc/14/18/46/136141846.db2.gz AKPZHHOHBHOKKR-UHFFFAOYSA-N 0 0 367.788 5.138 1 0 FKAFRN COc1ccc(C(=O)CN2c3ccccc3Oc3ccc(Cl)cc32)cc1 ZINC000072108717 536684526 /nfs/dbraw/zinc/68/45/26/536684526.db2.gz ZSRJXMJFHJAHAY-UHFFFAOYSA-N 0 0 365.816 5.475 1 0 FKAFRN Cc1c(Cl)cccc1Oc1cccn2c(C[C@H]3C[C@H]4CC[C@@H]3C4)nnc12 ZINC000072108885 221405752 /nfs/dbraw/zinc/40/57/52/221405752.db2.gz JQYYWVQHGKKNJP-ARFHVFGLSA-N 0 0 367.880 5.462 1 0 FKAFRN COc1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1 ZINC000072108942 136141838 /nfs/dbraw/zinc/14/18/38/136141838.db2.gz ZRKYSTMNLJOHQT-UHFFFAOYSA-N 0 0 351.789 5.433 1 0 FKAFRN COc1ccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)cc1F ZINC000072109053 205467954 /nfs/dbraw/zinc/46/79/54/205467954.db2.gz PXRYUCCEFJZXKL-QFIPXVFZSA-N 0 0 357.469 5.163 1 0 FKAFRN CC1(C)C[C@@](CCNc2cc(Cl)ccc2F)(c2ccccc2)CCO1 ZINC000072109794 221406885 /nfs/dbraw/zinc/40/68/85/221406885.db2.gz OVAWPUAEWGIGKL-NRFANRHFSA-N 0 0 361.888 5.808 1 0 FKAFRN CN(C)c1ccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1 ZINC000072109818 136141856 /nfs/dbraw/zinc/14/18/56/136141856.db2.gz NSOUIZOIFKVHST-UHFFFAOYSA-N 0 0 364.832 5.490 1 0 FKAFRN CN(C)c1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 ZINC000072109877 221406547 /nfs/dbraw/zinc/40/65/47/221406547.db2.gz MBZHPWOXFNSVKA-HSZRJFAPSA-N 0 0 352.522 5.082 1 0 FKAFRN COc1cccc(C(=O)N2c3ccccc3Oc3ccc(Cl)cc32)c1 ZINC000072110212 136141782 /nfs/dbraw/zinc/14/17/82/136141782.db2.gz CDFFUKVXMJQWFY-UHFFFAOYSA-N 0 0 351.789 5.433 1 0 FKAFRN COc1ccc(CC(=O)N2c3ccccc3Oc3ccc(Cl)cc32)cc1 ZINC000072110213 536825678 /nfs/dbraw/zinc/82/56/78/536825678.db2.gz KEFBPWNGFHWDMA-UHFFFAOYSA-N 0 0 365.816 5.362 1 0 FKAFRN CC1(C)C[C@@](NC(=S)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 ZINC000072110809 208799410 /nfs/dbraw/zinc/79/94/10/208799410.db2.gz ZQXIIQAXHYMIHX-HXUWFJFHSA-N 0 0 374.937 5.111 1 0 FKAFRN COc1cccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)c1F ZINC000072111322 221406958 /nfs/dbraw/zinc/40/69/58/221406958.db2.gz DGFKAXFAMMRIHG-UHFFFAOYSA-N 0 0 374.433 5.256 1 0 FKAFRN CC1(C)C[C@@](CC(=O)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 ZINC000072112157 205469957 /nfs/dbraw/zinc/46/99/57/205469957.db2.gz XFPGARTWKWFLIZ-OAQYLSRUSA-N 0 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c1ccc2c(c1)oc1ccc([C@H]3Nc4ccccc4[C@@H]4OCCC[C@@H]43)cc12 ZINC000072118934 205469400 /nfs/dbraw/zinc/46/94/00/205469400.db2.gz HSLALPZCCXRVQM-QFWMQHCXSA-N 0 0 355.437 6.221 1 0 FKAFRN Cc1cc(S(=O)(=O)NC2CCCCC2)c2c(C)ccc(C(C)C)cc1-2 ZINC000072123602 208801697 /nfs/dbraw/zinc/80/16/97/208801697.db2.gz ULIHRKMHABVZDR-UHFFFAOYSA-N 0 0 359.535 5.143 1 0 FKAFRN CCO[P@](=O)(NC1CCCCC1)Oc1ccc(C(F)(F)F)cc1 ZINC000072126120 221410769 /nfs/dbraw/zinc/41/07/69/221410769.db2.gz CAAZYUCHWWIOLT-HSZRJFAPSA-N 0 0 351.305 5.151 1 0 FKAFRN Cn1ccc2c1c1c(cc2N(c2ccccc2)C2CCCCC2)[C@@H]2CC[C@H]1O2 ZINC000072136887 221417022 /nfs/dbraw/zinc/41/70/22/221417022.db2.gz ZDRFIANKQIHINK-XZOQPEGZSA-N 0 0 372.512 6.555 1 0 FKAFRN O=C1/C(=C\c2ccccn2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000072141080 221418529 /nfs/dbraw/zinc/41/85/29/221418529.db2.gz FFOJPWLKCHNOJO-QINSGFPZSA-N 0 0 367.235 5.607 1 0 FKAFRN CC(C)(C)CC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000072141288 221419774 /nfs/dbraw/zinc/41/97/74/221419774.db2.gz 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O[C@@](c1ccc(Cl)cc1)(c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000072185907 205501638 /nfs/dbraw/zinc/50/16/38/205501638.db2.gz VUWPAFFNDUOCHC-GOSISDBHSA-N 0 0 363.766 5.038 1 0 FKAFRN Cc1ccccc1Nc1oc(-c2ccccc2)nc1/C=C\c1ccccc1 ZINC000073057920 208877091 /nfs/dbraw/zinc/87/70/91/208877091.db2.gz CXMOGNBPOSKCFY-MSUUIHNZSA-N 0 0 352.437 6.564 1 0 FKAFRN Cc1cccc(C)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] ZINC000073160477 221558589 /nfs/dbraw/zinc/55/85/89/221558589.db2.gz OYTNRUXGIFGYKR-UHFFFAOYSA-N 0 0 362.379 5.097 1 0 FKAFRN CC(C)c1cccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)c1 ZINC000073165549 221559174 /nfs/dbraw/zinc/55/91/74/221559174.db2.gz HETKVELCRRUIIB-UHFFFAOYSA-N 0 0 374.362 5.736 1 0 FKAFRN Clc1ccccc1Oc1ccc(Nc2ncnc3cc[nH]c32)cc1Cl ZINC000073169955 221560792 /nfs/dbraw/zinc/56/07/92/221560792.db2.gz AYIGALYNJFDMRN-UHFFFAOYSA-N 0 0 371.227 5.801 1 0 FKAFRN Clc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c43)cc2Cl)c1 ZINC000073169957 221560733 /nfs/dbraw/zinc/56/07/33/221560733.db2.gz OXAZPVDJCIJPFP-UHFFFAOYSA-N 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/nfs/dbraw/zinc/87/80/32/208878032.db2.gz GTBYBLWEOQHEDF-UHFFFAOYSA-N 0 0 350.424 6.286 1 0 FKAFRN CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc2ccccc2c1 ZINC000082155571 205646528 /nfs/dbraw/zinc/64/65/28/205646528.db2.gz LRMYEEATTUUNJT-DEOSSOPVSA-N 0 0 366.420 5.232 1 0 FKAFRN CCc1oc2c(C)c(OCc3ccccc3)ccc2c(=O)c1Br ZINC000082156154 221706616 /nfs/dbraw/zinc/70/66/16/221706616.db2.gz TUVAFPJQAQWENI-UHFFFAOYSA-N 0 0 373.246 5.005 1 0 FKAFRN Clc1ccc(-c2nc3cnc4cc(Br)ccc4c3[nH]2)cc1 ZINC000082158415 221708733 /nfs/dbraw/zinc/70/87/33/221708733.db2.gz LQZLGYSSMDMQJY-UHFFFAOYSA-N 0 0 358.626 5.194 1 0 FKAFRN COC(=O)c1cc2c(c(CC=C(C)C)c1)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000084153796 291089236 /nfs/dbraw/zinc/08/92/36/291089236.db2.gz ZMYVPUKCYGOUAE-QHCPKHFHSA-N 0 0 354.490 5.893 1 0 biogenic,in-vitro FKAFRN COC(=O)c1cc(CCC(C)C)c2c(c1)CC[C@](C)(CCCC(C)C)O2 ZINC000084153797 291088881 /nfs/dbraw/zinc/08/88/81/291088881.db2.gz JLWGAJAFCQCLFY-QHCPKHFHSA-N 0 0 360.538 5.972 1 0 biogenic,in-vitro FKAFRN COc1ccc(/C=C2\C(c3ccc(Cl)cc3)=NN=C2C(F)(F)F)cc1 ZINC000084616539 221724910 /nfs/dbraw/zinc/72/49/10/221724910.db2.gz KZNLGDUIZXDGQF-XNTDXEJSSA-N 0 0 364.754 5.153 1 0 FKAFRN COc1nnc(C)c(-c2ccc(Cl)cc2)c1-c1c(F)cc(F)cc1F ZINC000084617138 221725148 /nfs/dbraw/zinc/72/51/48/221725148.db2.gz JRZQJZXPKHPVNI-UHFFFAOYSA-N 0 0 364.754 5.198 1 0 FKAFRN Cc1nnc(Cl)c(-c2c(F)cc(F)cc2F)c1-c1ccc(Cl)nc1 ZINC000084617630 221724892 /nfs/dbraw/zinc/72/48/92/221724892.db2.gz INDMHHREARZNOU-UHFFFAOYSA-N 0 0 370.161 5.238 1 0 FKAFRN Cc1nnc(Cl)c(-c2c(F)cccc2F)c1-c1ccc(Cl)nc1 ZINC000084619010 205657217 /nfs/dbraw/zinc/65/72/17/205657217.db2.gz DUSSDRZXEPMRGC-UHFFFAOYSA-N 0 0 352.171 5.099 1 0 FKAFRN Cc1c(=O)c2ccccc2[nH]c1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000084652585 208960686 /nfs/dbraw/zinc/96/06/86/208960686.db2.gz PCULMJMGMIJMGM-UHFFFAOYSA-N 0 0 361.828 5.949 1 0 FKAFRN CC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)n2C1CCCCC1 ZINC000084653165 205658776 /nfs/dbraw/zinc/65/87/76/205658776.db2.gz SMOLYTXWOZSLMG-UHFFFAOYSA-N 0 0 352.865 6.065 1 0 FKAFRN O=C(Nc1ccc(-c2nccc3c4ccccc4[nH]c32)cc1)c1ccco1 ZINC000084669878 205658033 /nfs/dbraw/zinc/65/80/33/205658033.db2.gz JSCCBFJVAXJMMB-UHFFFAOYSA-N 0 0 353.381 5.228 1 0 FKAFRN CCCCN(CCCC)C(=O)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000084671976 208960875 /nfs/dbraw/zinc/96/08/75/208960875.db2.gz LAWMSMZOFZFWQK-UHFFFAOYSA-N 0 0 361.489 5.339 1 0 FKAFRN CC[C@@H](C)NC(=O)c1nc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)n1 ZINC000084688851 205660453 /nfs/dbraw/zinc/66/04/53/205660453.db2.gz VVVAKCGZFYEJRT-LLVKDONJSA-N 0 0 374.271 5.132 1 0 FKAFRN CC[C@H](C)NC(=O)c1nc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)n1 ZINC000084688853 208959956 /nfs/dbraw/zinc/95/99/56/208959956.db2.gz VVVAKCGZFYEJRT-NSHDSACASA-N 0 0 374.271 5.132 1 0 FKAFRN Cc1ccc(SC[C@H](O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000084689916 208960604 /nfs/dbraw/zinc/96/06/04/208960604.db2.gz YQHLRFLYSBGOFE-OAQYLSRUSA-N 0 0 373.521 5.770 1 0 FKAFRN Cn1c2ccccc2c2cc([C@H]3CC(c4ccc(F)c(F)c4)=NN3)ccc21 ZINC000084689988 208961257 /nfs/dbraw/zinc/96/12/57/208961257.db2.gz YFBGFKYAYNMOLR-LJQANCHMSA-N 0 0 361.395 5.048 1 0 FKAFRN Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3)ccc21 ZINC000084689989 205659609 /nfs/dbraw/zinc/65/96/09/205659609.db2.gz CERYVXDHVNZKJC-FQEVSTJZSA-N 0 0 359.860 5.424 1 0 FKAFRN O[C@@H](CSc1ccccc1F)Cn1c2ccccc2c2ccccc21 ZINC000084705073 205660042 /nfs/dbraw/zinc/66/00/42/205660042.db2.gz JJTPYFCWWWQZEP-OAHLLOKOSA-N 0 0 351.446 5.087 1 0 FKAFRN CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccncc2)cc1 ZINC000084708292 205659625 /nfs/dbraw/zinc/65/96/25/205659625.db2.gz SJMXTLCSHCXWMT-LJQANCHMSA-N 0 0 369.512 5.830 1 0 FKAFRN O=C1c2ccccc2C2=Nc3ccccc3S[C@]12c1ccc(Cl)cc1 ZINC000084714370 208961677 /nfs/dbraw/zinc/96/16/77/208961677.db2.gz WNEAHYLTBGEQGA-NRFANRHFSA-N 0 0 361.853 5.658 1 0 FKAFRN COc1ccc([C@]23Sc4ccccc4N=C2c2ccccc2C3=O)cc1 ZINC000084723044 205660387 /nfs/dbraw/zinc/66/03/87/205660387.db2.gz WPRUXSBBOYLJSQ-QFIPXVFZSA-N 0 0 357.434 5.014 1 0 FKAFRN C[C@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000084726816 208962164 /nfs/dbraw/zinc/96/21/64/208962164.db2.gz QZTFKMDNUMGOGL-LBPRGKRZSA-N 0 0 361.338 5.489 1 0 FKAFRN C[C@@H](NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 ZINC000084726820 221730332 /nfs/dbraw/zinc/73/03/32/221730332.db2.gz QZTFKMDNUMGOGL-GFCCVEGCSA-N 0 0 361.338 5.489 1 0 FKAFRN Cc1ccccc1Sc1nc(C(Cl)(Cl)Cl)nc2ccccc21 ZINC000084727922 221730692 /nfs/dbraw/zinc/73/06/92/221730692.db2.gz SPKGQWFMXJNBLM-UHFFFAOYSA-N 0 0 369.704 5.916 1 0 FKAFRN CCOC(=O)CC1=C/C(=C\c2ccc(SC)cc2)c2ccc(F)cc21 ZINC000084727979 221730654 /nfs/dbraw/zinc/73/06/54/221730654.db2.gz IRFCAQNZMXTGGZ-XNTDXEJSSA-N 0 0 354.446 5.438 1 0 FKAFRN CCCN(CCC)c1c(CC)nn2c1cccc2-c1ccc(OC)cc1C ZINC000084740666 205659961 /nfs/dbraw/zinc/65/99/61/205659961.db2.gz DNIIFUHGOJFDAU-UHFFFAOYSA-N 0 0 365.521 5.507 1 0 FKAFRN Fc1ccc(C2=N[C@H](c3ccc(F)cc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084742033 221731247 /nfs/dbraw/zinc/73/12/47/221731247.db2.gz IAUWNPVVNLBOSO-HSZRJFAPSA-N 0 0 371.386 6.047 1 0 FKAFRN COc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084742060 221731232 /nfs/dbraw/zinc/73/12/32/221731232.db2.gz OSCBYOFEILSZEM-DEOSSOPVSA-N 0 0 365.432 5.777 1 0 FKAFRN Fc1ccc(C2=N[C@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084742069 221730659 /nfs/dbraw/zinc/73/06/59/221730659.db2.gz SPXPFHZXLUARDR-HSZRJFAPSA-N 0 0 353.396 5.908 1 0 FKAFRN Fc1ccc(C2=N[C@@H](c3ccccc3)c3c(ccc4ccccc43)O2)cc1 ZINC000084742071 221731440 /nfs/dbraw/zinc/73/14/40/221731440.db2.gz SPXPFHZXLUARDR-QHCPKHFHSA-N 0 0 353.396 5.908 1 0 FKAFRN O=C(Nc1ccc(C(=O)c2ccccc2)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000084759469 205661026 /nfs/dbraw/zinc/66/10/26/205661026.db2.gz HEOFHXRMHLNVDA-UHFFFAOYSA-N 0 0 374.484 5.008 1 0 FKAFRN C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@@H](Cc4cc(O)cc(CCO)c4)CCC[C@@H]32)C1 ZINC000085543606 291089449 /nfs/dbraw/zinc/08/94/49/291089449.db2.gz HCZIZZTYUPOQQP-UCQRFAGFSA-N 0 0 368.561 5.658 1 0 biogenic,in-vitro FKAFRN C[C@H]1CC=C[C@](C)([C@H]2CCC[C@@H](Cc3cc(O)cc(CCCO)c3)C2)C1 ZINC000085543630 291089431 /nfs/dbraw/zinc/08/94/31/291089431.db2.gz DVJZTXYZOKNCCM-MWYJAUPDSA-N 0 0 356.550 5.658 1 0 biogenic,in-vitro FKAFRN CCCCCc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543632 291088578 /nfs/dbraw/zinc/08/85/78/291088578.db2.gz LVMUEERNEAZUSV-IMBWNBOCSA-N 0 0 368.605 7.466 1 0 biogenic,in-vitro FKAFRN C[C@H]1CC=C[C@](C)([C@@H]2C[C@H](Cc3cccc(O)c3)CC3(CCCC3)C2)C1 ZINC000085543640 291089451 /nfs/dbraw/zinc/08/94/51/291089451.db2.gz OUOWUEBTLCCJKL-KZDDHRSZSA-N 0 0 352.562 6.904 1 0 biogenic,in-vitro FKAFRN CCCCc1oc(CCc2ccc(O)c(OC3CCCCC3)c2)cc1CO ZINC000085624466 291088565 /nfs/dbraw/zinc/08/85/65/291088565.db2.gz WEBMPXGILWNKNN-UHFFFAOYSA-N 0 0 372.505 5.317 1 0 biogenic,in-vitro FKAFRN CCCCCCOc1cc(CCC(=O)C[C@H](O)CCCCC)ccc1O ZINC000085629268 291088586 /nfs/dbraw/zinc/08/85/86/291088586.db2.gz ZQFFGHJYPOBVPT-LJQANCHMSA-N 0 0 364.526 5.184 1 0 biogenic,in-vitro FKAFRN CCCCC(CCCC)CCCCCCCCC(CCCC)CCCC ZINC000090426235 291087681 /nfs/dbraw/zinc/08/76/81/291087681.db2.gz VZZCEMBCJSFMMD-UHFFFAOYSA-N 0 0 366.718 10.100 1 0 biogenic FKAFRN Oc1cccc(-c2cc(-c3ccncc3)nc(-c3ccccc3Cl)c2)c1 ZINC000095552259 209078567 /nfs/dbraw/zinc/07/85/67/209078567.db2.gz HZHOHRKRHRKAQP-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1ccc(-c2cc(-c3cccs3)nc(-c3cccc(Cl)c3)c2)cc1 ZINC000095552342 209078537 /nfs/dbraw/zinc/07/85/37/209078537.db2.gz RKALIWYSIVXCEG-UHFFFAOYSA-N 0 0 363.869 6.503 1 0 FKAFRN Oc1ccc(-c2cc(-c3ccsc3)nc(-c3ccccc3Cl)c2)cc1 ZINC000095552692 205786634 /nfs/dbraw/zinc/78/66/34/205786634.db2.gz ANTVHXUIMFFOKZ-UHFFFAOYSA-N 0 0 363.869 6.503 1 0 FKAFRN Oc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3Cl)c2)cc1 ZINC000095553074 209078910 /nfs/dbraw/zinc/07/89/10/209078910.db2.gz YHCIDYWZHJNJIT-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000095553170 209078660 /nfs/dbraw/zinc/07/86/60/209078660.db2.gz JQEPYJZBGVJTMI-UHFFFAOYSA-N 0 0 364.150 5.030 1 0 FKAFRN Fc1ccc(Nc2cc(NC3CCCCC3)nc3ccnn32)cc1Cl ZINC000095553284 221959997 /nfs/dbraw/zinc/95/99/97/221959997.db2.gz BLECGOGNNZTYRZ-UHFFFAOYSA-N 0 0 359.836 5.010 1 0 FKAFRN Oc1ccc(-c2cc(-c3cccs3)nc(-c3ccccc3Cl)c2)cc1 ZINC000095554110 209078827 /nfs/dbraw/zinc/07/88/27/209078827.db2.gz QPIPZQFERLMQRO-UHFFFAOYSA-N 0 0 363.869 6.503 1 0 FKAFRN Oc1cccc(-c2cc(-c3ccsc3)nc(-c3ccccc3Cl)c2)c1 ZINC000095554155 221959555 /nfs/dbraw/zinc/95/95/55/221959555.db2.gz RHFTXPHJEVNJQL-UHFFFAOYSA-N 0 0 363.869 6.503 1 0 FKAFRN Oc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Cl)c2)cc1 ZINC000095554165 221960069 /nfs/dbraw/zinc/96/00/69/221960069.db2.gz ICRCDXYPKZBUHY-UHFFFAOYSA-N 0 0 357.840 6.442 1 0 FKAFRN Oc1ccc(-c2cc(-c3cccc(Cl)c3)nc(-c3ccccn3)c2)cc1 ZINC000095554785 209079012 /nfs/dbraw/zinc/07/90/12/209079012.db2.gz FCJDFHBSHUUBIA-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1ccc(-c2cc(-c3cccnc3)nc(-c3cccc(Cl)c3)c2)cc1 ZINC000095554928 221959630 /nfs/dbraw/zinc/95/96/30/221959630.db2.gz SAQADCRBJVHLBP-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1cccc(-c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)c2)c1 ZINC000095555173 209079734 /nfs/dbraw/zinc/07/97/34/209079734.db2.gz IXRADMQDIWFWSQ-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1cccc(-c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)c2)c1 ZINC000095555531 209079311 /nfs/dbraw/zinc/07/93/11/209079311.db2.gz IPMGGLMHBVQDBN-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1ccc(-c2cc(-c3ccncc3)nc(-c3cccc(Cl)c3)c2)cc1 ZINC000095555903 221959353 /nfs/dbraw/zinc/95/93/53/221959353.db2.gz FSOMRXPGRQWZEP-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1cccc(-c2cc(-c3cccs3)nc(-c3cccc(Cl)c3)c2)c1 ZINC000095556308 209080466 /nfs/dbraw/zinc/08/04/66/209080466.db2.gz YHHLSNIVDMCJGS-UHFFFAOYSA-N 0 0 363.869 6.503 1 0 FKAFRN Oc1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3Cl)c2)c1 ZINC000095556920 209081185 /nfs/dbraw/zinc/08/11/85/209081185.db2.gz JGRMTJSYPURQSF-UHFFFAOYSA-N 0 0 357.840 6.442 1 0 FKAFRN Oc1cccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3cccnc3)c2)c1 ZINC000095557213 209080238 /nfs/dbraw/zinc/08/02/38/209080238.db2.gz ATZXSWAVWSHCSH-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN Oc1ccc(-c2cc(-c3ccncc3)nc(-c3ccc(Cl)cc3)c2)cc1 ZINC000095557389 221959683 /nfs/dbraw/zinc/95/96/83/221959683.db2.gz MZPMJMBXOBBPCG-UHFFFAOYSA-N 0 0 358.828 5.837 1 0 FKAFRN CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 ZINC000095558198 132215344 /nfs/dbraw/zinc/21/53/44/132215344.db2.gz OZTPEOANXGTTAL-HXUWFJFHSA-N 0 0 364.445 5.319 1 0 FKAFRN CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 ZINC000095558199 132215328 /nfs/dbraw/zinc/21/53/28/132215328.db2.gz OZTPEOANXGTTAL-FQEVSTJZSA-N 0 0 364.445 5.319 1 0 FKAFRN CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4ccccc4)ccc3n2)cc1 ZINC000095558979 205788896 /nfs/dbraw/zinc/78/88/96/205788896.db2.gz JUJMCVCAHFVRPW-UHFFFAOYSA-N 0 0 369.468 5.551 1 0 FKAFRN Cn1cc([C@@H](Nc2nc3ccccc3s2)c2ccccn2)c2ccccc21 ZINC000095560523 209080218 /nfs/dbraw/zinc/08/02/18/209080218.db2.gz QMZCDCCHKHSIPH-OAQYLSRUSA-N 0 0 370.481 5.385 1 0 FKAFRN Cc1ccc(NC(=O)Nc2ccc(C)c(NC(=O)c3ccccc3)c2)cc1C ZINC000095560726 209080509 /nfs/dbraw/zinc/08/05/09/209080509.db2.gz BLZMIUWBDQHFPX-UHFFFAOYSA-N 0 0 373.456 5.508 1 0 FKAFRN O=C1C[C@@H](c2cccs2)Sc2ccccc2N1Cc1ccccc1 ZINC000095560953 209080832 /nfs/dbraw/zinc/08/08/32/209080832.db2.gz NEIRQYHPKPVOLN-IBGZPJMESA-N 0 0 351.496 5.518 1 0 FKAFRN CCCCCn1c(C)c(C(=O)c2ccc(F)c3ccccc23)c2ccccc21 ZINC000095561063 209079997 /nfs/dbraw/zinc/07/99/97/209079997.db2.gz IBCGCPIEVOHYAS-UHFFFAOYSA-N 0 0 373.471 6.663 1 0 FKAFRN COc1cc(-c2nc(C)sc2-c2ccc(C)cc2)cc(OC)c1OC ZINC000095561300 209081204 /nfs/dbraw/zinc/08/12/04/209081204.db2.gz RPVADCQXXXEOOB-UHFFFAOYSA-N 0 0 355.459 5.120 1 0 FKAFRN Cc1csc(-c2[nH]c(C(F)(F)F)nc2-c2ccc3ncsc3c2)n1 ZINC000095561891 209081039 /nfs/dbraw/zinc/08/10/39/209081039.db2.gz UVCNMWPNXWHUCS-UHFFFAOYSA-N 0 0 366.393 5.137 1 0 FKAFRN O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1cccc(Cl)c1 ZINC000095562519 209080762 /nfs/dbraw/zinc/08/07/62/209080762.db2.gz LFSACMMXLPRGDH-IBGZPJMESA-N 0 0 369.873 5.703 1 0 FKAFRN COc1cc2cc(-c3cccc(-c4ccccc4)c3)nc(C)c2cc1OC ZINC000095562559 205789139 /nfs/dbraw/zinc/78/91/39/205789139.db2.gz LCBHASAHBKJACJ-UHFFFAOYSA-N 0 0 355.437 5.894 1 0 FKAFRN Cc1nc(-c2ccccc2)sc1[C@@H]1SCC(=O)N1c1ccc(F)cc1 ZINC000095563915 205789429 /nfs/dbraw/zinc/78/94/29/205789429.db2.gz REGPAVWUJLTRGD-IBGZPJMESA-N 0 0 370.474 5.036 1 0 FKAFRN O=C(Oc1c(Cl)cc(Cl)cc1Cl)c1coc(-c2ccccc2)n1 ZINC000095564273 209080870 /nfs/dbraw/zinc/08/08/70/209080870.db2.gz UYCPPFCETSADCD-UHFFFAOYSA-N 0 0 368.603 5.521 1 0 FKAFRN C[C@@H](OC(=O)Nc1c(-c2ccccc2F)cnn1C)c1ccccc1Cl ZINC000095571595 541108715 /nfs/dbraw/zinc/10/87/15/541108715.db2.gz SSMIBGPOHRVNGJ-GFCCVEGCSA-N 0 0 373.815 5.189 1 0 FKAFRN COc1ccc2c(c1)CCc1cc(Nc3ccc(F)cc3F)ccc1C2=O ZINC000095571943 209080542 /nfs/dbraw/zinc/08/05/42/209080542.db2.gz BVKCZFZNSABENW-UHFFFAOYSA-N 0 0 365.379 5.047 1 0 FKAFRN COc1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3Cl)cc1CC2 ZINC000095573032 205788407 /nfs/dbraw/zinc/78/84/07/205788407.db2.gz CKMOSVVHCJYVNV-UHFFFAOYSA-N 0 0 363.844 5.422 1 0 FKAFRN COc1ccc(NC(=O)c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)on2)cc1 ZINC000095573159 209081167 /nfs/dbraw/zinc/08/11/67/209081167.db2.gz GNOPJNRLVFPHKN-TZZQJPOUSA-N 0 0 366.461 5.331 1 0 FKAFRN COc1ccc(NC(=O)c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)on2)cc1 ZINC000095573160 221961737 /nfs/dbraw/zinc/96/17/37/221961737.db2.gz GNOPJNRLVFPHKN-CVTTXWKISA-N 0 0 366.461 5.331 1 0 FKAFRN C[C@H](OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl ZINC000095573255 541109744 /nfs/dbraw/zinc/10/97/44/541109744.db2.gz GHHHFOOMBYUUEO-LBPRGKRZSA-N 0 0 373.815 5.189 1 0 FKAFRN C[C@@H](OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl ZINC000095573256 541109737 /nfs/dbraw/zinc/10/97/37/541109737.db2.gz GHHHFOOMBYUUEO-GFCCVEGCSA-N 0 0 373.815 5.189 1 0 FKAFRN Fc1cc(Br)ccc1Nc1ncnc2c3ccccc3sc21 ZINC000095573543 209082149 /nfs/dbraw/zinc/08/21/49/209082149.db2.gz KKMLAYUJWHOJQF-UHFFFAOYSA-N 0 0 374.238 5.490 1 0 FKAFRN CCCN1COc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2C1 ZINC000095573878 209081402 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221965916 /nfs/dbraw/zinc/96/59/16/221965916.db2.gz AALWXVPCUDHQST-SFHVURJKSA-N 0 0 365.479 5.159 1 0 FKAFRN O=C(c1ccccc1)N1c2ccccc2S[C@@H](c2cccs2)CC1=O ZINC000095591512 205792093 /nfs/dbraw/zinc/79/20/93/205792093.db2.gz AALWXVPCUDHQST-GOSISDBHSA-N 0 0 365.479 5.159 1 0 FKAFRN CC(C)c1c(O[C@H]2CCCC[C@H]2C)cc(Cc2ccc(F)cc2)[nH]c1=O ZINC000095591877 209083106 /nfs/dbraw/zinc/08/31/06/209083106.db2.gz MUDYHJQHRRARHV-BEFAXECRSA-N 0 0 357.469 5.186 1 0 FKAFRN CC(C)c1c(O[C@@H]2CCCC[C@H]2C)cc(Cc2ccc(F)cc2)[nH]c1=O ZINC000095591879 209083925 /nfs/dbraw/zinc/08/39/25/209083925.db2.gz MUDYHJQHRRARHV-DNVCBOLYSA-N 0 0 357.469 5.186 1 0 FKAFRN COc1ccc(Cc2cc(O[C@H]3CCCC[C@H]3C)c(C(C)C)c(=O)[nH]2)cc1 ZINC000095592036 205792195 /nfs/dbraw/zinc/79/21/95/205792195.db2.gz GHRLOSINCJHBPV-UZLBHIALSA-N 0 0 369.505 5.055 1 0 FKAFRN COc1ccc(Cc2cc(O[C@H]3CCCC[C@@H]3C)c(C(C)C)c(=O)[nH]2)cc1 ZINC000095592037 209083787 /nfs/dbraw/zinc/08/37/87/209083787.db2.gz GHRLOSINCJHBPV-JXFKEZNVSA-N 0 0 369.505 5.055 1 0 FKAFRN COc1ccc(Cc2cc(O[C@@H]3CCCC[C@@H]3C)c(C(C)C)c(=O)[nH]2)cc1 ZINC000095592039 209083745 /nfs/dbraw/zinc/08/37/45/209083745.db2.gz GHRLOSINCJHBPV-OXJNMPFZSA-N 0 0 369.505 5.055 1 0 FKAFRN COc1oc(=O)c2cc(NCc3cccc4ccccc43)ccc2c1Cl ZINC000095592659 209084004 /nfs/dbraw/zinc/08/40/04/209084004.db2.gz ZUBFFMQZENJWIF-UHFFFAOYSA-N 0 0 365.816 5.220 1 0 FKAFRN COc1cc(/C=C/c2ccc(C)cc2)c(-c2ccccc2)c(OC)c1OC ZINC000095593094 221965709 /nfs/dbraw/zinc/96/57/09/221965709.db2.gz PBZOOBPAEMNBFN-CCEZHUSRSA-N 0 0 360.453 5.858 1 0 FKAFRN CCc1ccc(Nc2nnc(-c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000095593130 209083854 /nfs/dbraw/zinc/08/38/54/209083854.db2.gz TZCWPKBRCNVGFH-UHFFFAOYSA-N 0 0 355.441 5.611 1 0 FKAFRN COc1ccc2c(c1)sc1c2ncnc1Nc1ccc(Cl)cc1F ZINC000095593419 221965774 /nfs/dbraw/zinc/96/57/74/221965774.db2.gz FWUFEFYWXNGPBF-UHFFFAOYSA-N 0 0 359.813 5.389 1 0 FKAFRN COc1cc(Cc2c3ccccc3[nH]c2-c2ccccc2)cc(OC)c1OC ZINC000095593464 205791611 /nfs/dbraw/zinc/79/16/11/205791611.db2.gz WUMNMBFXRLJISW-UHFFFAOYSA-N 0 0 373.452 5.452 1 0 FKAFRN COc1ccc2c(c1)oc1c2ncnc1Nc1ccc(Cl)cc1Cl ZINC000095593642 209083616 /nfs/dbraw/zinc/08/36/16/209083616.db2.gz VBVVEKGXCGAINU-UHFFFAOYSA-N 0 0 360.200 5.435 1 0 FKAFRN CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)c2c(C)csc21 ZINC000095593661 221966183 /nfs/dbraw/zinc/96/61/83/221966183.db2.gz OZBJFLMZWUDPCT-UHFFFAOYSA-N 0 0 374.550 5.014 1 0 FKAFRN COc1ccc2c(c1)oc1c2ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000095594522 209084071 /nfs/dbraw/zinc/08/40/71/209084071.db2.gz CWVXVZDOKOWYNM-UHFFFAOYSA-N 0 0 360.200 5.435 1 0 FKAFRN Cc1cc(C)c(S(=O)(=O)c2ccc(OC3CCCCC3)cc2)c(C)c1 ZINC000095594750 209084204 /nfs/dbraw/zinc/08/42/04/209084204.db2.gz CKCIVBSGIYIDBG-UHFFFAOYSA-N 0 0 358.503 5.156 1 0 FKAFRN CC(C)Sc1nnc(COc2ccccc2)n1-c1cccc(Cl)c1 ZINC000095594962 209083055 /nfs/dbraw/zinc/08/30/55/209083055.db2.gz IENJAGMJDZQSEK-UHFFFAOYSA-N 0 0 359.882 5.000 1 0 FKAFRN CCCCOc1ccc2c3ccnc(C)c3n(CCCc3ccccc3)c2c1 ZINC000095596234 209083868 /nfs/dbraw/zinc/08/38/68/209083868.db2.gz XPBXSBBDXOITGD-UHFFFAOYSA-N 0 0 372.512 6.310 1 0 FKAFRN O=C(Oc1cccc(-c2ccccc2)c1)N1CCc2c([nH]c3ccccc32)C1 ZINC000095596701 209084197 /nfs/dbraw/zinc/08/41/97/209084197.db2.gz DSQDJFIPMKAAEA-UHFFFAOYSA-N 0 0 368.436 5.392 1 0 FKAFRN COc1ccc(-c2nnc(N(C)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000095596995 221967375 /nfs/dbraw/zinc/96/73/75/221967375.db2.gz LDRAEHCNKSBVKC-UHFFFAOYSA-N 0 0 355.441 5.382 1 0 FKAFRN Cc1nccc2c3ccc(OCCCc4ccccc4)cc3n(CC(C)C)c21 ZINC000095597571 209083009 /nfs/dbraw/zinc/08/30/09/209083009.db2.gz KUBYGCLMFIBSQS-UHFFFAOYSA-N 0 0 372.512 6.166 1 0 FKAFRN S=c1oc(-c2ccc3ccccc3n2)nn1CNc1ccc(Cl)cc1 ZINC000095598211 209083594 /nfs/dbraw/zinc/08/35/94/209083594.db2.gz BXOQCUKDUASLBF-UHFFFAOYSA-N 0 0 368.849 5.144 1 0 FKAFRN CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1CC ZINC000095601125 209085296 /nfs/dbraw/zinc/08/52/96/209085296.db2.gz BNLSLPBYPNHRHW-UHFFFAOYSA-N 0 0 365.882 5.091 1 0 FKAFRN Cc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)nnc2Cl)c(C)c1 ZINC000095602256 205792843 /nfs/dbraw/zinc/79/28/43/205792843.db2.gz IHJGQFZTKDAKIK-UHFFFAOYSA-N 0 0 374.271 6.245 1 0 FKAFRN CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4N)ccc32)cc1 ZINC000095602604 205792875 /nfs/dbraw/zinc/79/28/75/205792875.db2.gz OOLVCWSMNREBHF-UHFFFAOYSA-N 0 0 351.493 7.054 1 0 FKAFRN Cc1ccc2c(c1)-c1c(O)cc(C34CC5CC(CC(C5)C3)C4)cc1OC2(C)C ZINC000095604685 221969147 /nfs/dbraw/zinc/96/91/47/221969147.db2.gz VOQLIELOBJLBMH-UHFFFAOYSA-N 0 0 374.524 6.463 1 0 FKAFRN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000095604932 221968617 /nfs/dbraw/zinc/96/86/17/221968617.db2.gz VQIGXAJSERPZTQ-GDNBJRDFSA-N 0 0 356.208 5.746 1 0 FKAFRN CC(C)(C)CCCCCc1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21 ZINC000095607432 209084804 /nfs/dbraw/zinc/08/48/04/209084804.db2.gz MEPZCBIZPNCRSQ-FCHUYYIVSA-N 0 0 370.577 6.419 1 0 FKAFRN CC1=CC[C@@H]2[C@@H](C1)c1ccc(CCCCCC(C)(C)C)cc1OC2(C)C ZINC000095607434 221969003 /nfs/dbraw/zinc/96/90/03/221969003.db2.gz BEBBFNSWULOPQQ-FCHUYYIVSA-N 0 0 354.578 7.447 1 0 FKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCCO ZINC000095617631 571795628 /nfs/dbraw/zinc/79/56/28/571795628.db2.gz CXWASNUDKUTFPQ-KUBAVDMBSA-N 0 0 372.549 6.000 1 0 endogenous,in-man FKAFRN CC(C)(C)CC(C)(C)c1ccc(OCCCCCCCCCCO)cc1 ZINC000095619925 574417096 /nfs/dbraw/zinc/41/70/96/574417096.db2.gz YHBHQYRDAVETGQ-UHFFFAOYSA-N 0 0 362.598 6.892 1 0 endogenous,in-man FKAFRN CCO[C@@H]1C[C@@H](c2ccccc2)Oc2cc3c(c(OC)c21)C=CC(C)(C)O3 ZINC000095910402 291088877 /nfs/dbraw/zinc/08/88/77/291088877.db2.gz JUEHBQGSIXIHCE-PKOBYXMFSA-N 0 0 366.457 5.481 1 0 biogenic,in-vitro FKAFRN COC(=O)c1cc(O)c2c(c1)C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)O2 ZINC000095910772 291088869 /nfs/dbraw/zinc/08/88/69/291088869.db2.gz UERQNIPJAHMGOA-QPLBDWIMSA-N 0 0 370.489 5.816 1 0 biogenic,in-vitro FKAFRN CCCCC/C=C\CCCCCCCCc1cc(=O)c2ccccc2n1C ZINC000095913686 291087719 /nfs/dbraw/zinc/08/77/19/291087719.db2.gz MRCULLZMMHZIEL-FPLPWBNLSA-N 0 0 367.577 6.948 1 0 biogenic,in-vitro FKAFRN CCCCC/C=C\CCCCCCCc1cc(=O)c2ccccc2n1C ZINC000095913702 291087713 /nfs/dbraw/zinc/08/77/13/291087713.db2.gz DCLPWWXNFDNSMW-FPLPWBNLSA-N 0 0 353.550 6.558 1 0 biogenic,in-vitro FKAFRN O=C(/C=C/C=C/CCCC/C=C\c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000095914429 291089582 /nfs/dbraw/zinc/08/95/82/291089582.db2.gz BADLEYLQAILHPV-KJBFNNNQSA-N 0 0 367.489 5.114 1 0 biogenic,in-vitro FKAFRN CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCCCC(C)C ZINC000095914430 291087693 /nfs/dbraw/zinc/08/76/93/291087693.db2.gz OQYWYNYZGPSILS-KVFRDMGPSA-N 0 0 361.614 7.128 1 0 biogenic,in-vitro FKAFRN CC1=CCCC(C)(C)[C@@H]1Cc1c(O)cc(/C=C\c2ccc(O)cc2)cc1O ZINC000095919297 291087491 /nfs/dbraw/zinc/08/74/91/291087491.db2.gz PFXULLDGLDNOOD-IZRJCCQOSA-N 0 0 364.485 5.899 1 0 biogenic,in-vitro FKAFRN CC1(C)CCC[C@]2(C)Oc3cc(/C=C\c4ccc(O)cc4)cc(O)c3C[C@H]12 ZINC000095919298 291087189 /nfs/dbraw/zinc/08/71/89/291087189.db2.gz NVDNWXIJCXLGEI-WXTRPDSFSA-N 0 0 364.485 5.788 1 0 biogenic,in-vitro FKAFRN CC1=CCCC(C)(C)[C@H]1Cc1cc(/C=C\c2cc(O)cc(O)c2)ccc1O ZINC000095919299 291087485 /nfs/dbraw/zinc/08/74/85/291087485.db2.gz MEWJXXAKBKFVOS-DYRFGFBLSA-N 0 0 364.485 5.899 1 0 biogenic,in-vitro FKAFRN O=c1[nH]c2cc(-c3ccccc3)ccc2c2nc(-c3ccccc3Cl)[nH]c21 ZINC000096270721 222106784 /nfs/dbraw/zinc/10/67/84/222106784.db2.gz SJSIOPWZUMWNBI-UHFFFAOYSA-N 0 0 371.827 5.392 1 0 FKAFRN CC1(C)CCC[C@]2(C)[C@H]3CC[C@H](O)[C@H](CCc4ccoc4)[C@@]3(C)CC[C@@H]12 ZINC000096270791 222107051 /nfs/dbraw/zinc/10/70/51/222107051.db2.gz GUZTXAUQPRPAHU-RDMFNCBLSA-N 0 0 358.566 6.232 1 0 FKAFRN CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccccc1 ZINC000096271733 222107523 /nfs/dbraw/zinc/10/75/23/222107523.db2.gz ZHNWTUFEXOWNBM-UHFFFAOYSA-N 0 0 361.445 5.815 1 0 FKAFRN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000096273828 209148923 /nfs/dbraw/zinc/14/89/23/209148923.db2.gz OVKLTZBQWAZPAV-UHFFFAOYSA-N 0 0 368.387 5.062 1 0 FKAFRN O=C(Nc1cc(C2CC2)nn1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000096273839 209148305 /nfs/dbraw/zinc/14/83/05/209148305.db2.gz ORNBSQGNYDYIMI-UHFFFAOYSA-N 0 0 352.825 5.047 1 0 FKAFRN O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000096273848 209148702 /nfs/dbraw/zinc/14/87/02/209148702.db2.gz TVNJCCQHEJCRNN-UHFFFAOYSA-N 0 0 366.852 5.437 1 0 FKAFRN Cc1ccc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc32)s1 ZINC000096282214 222109594 /nfs/dbraw/zinc/10/95/94/222109594.db2.gz XEKAHYAPDGCRMP-UHFFFAOYSA-N 0 0 363.467 5.724 1 0 FKAFRN Cc1ncc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc32)s1 ZINC000096282229 222109727 /nfs/dbraw/zinc/10/97/27/222109727.db2.gz FJPOGNAHCZFDQR-UHFFFAOYSA-N 0 0 364.455 5.119 1 0 FKAFRN COc1ccc(-c2csc(NC(=O)Nc3ccccc3)c2)cc1OC ZINC000096282748 222110895 /nfs/dbraw/zinc/11/08/95/222110895.db2.gz UPOKDIRWWVQRJE-UHFFFAOYSA-N 0 0 354.431 5.076 1 0 FKAFRN c1ccc(-c2cccc(Nc3ncnc4cc5c(cc43)OCCCO5)c2)cc1 ZINC000096283120 222110856 /nfs/dbraw/zinc/11/08/56/222110856.db2.gz WRSMBOCJQHDXNC-UHFFFAOYSA-N 0 0 369.424 5.202 1 0 FKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(Cl)c1C ZINC000096283508 222111273 /nfs/dbraw/zinc/11/12/73/222111273.db2.gz NOHNIZSVZHKRNO-UHFFFAOYSA-N 0 0 373.887 6.126 1 0 FKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(F)c1C ZINC000096283509 222110446 /nfs/dbraw/zinc/11/04/46/222110446.db2.gz URNUWJQXXIKCEO-UHFFFAOYSA-N 0 0 357.432 5.611 1 0 FKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(O)c1C ZINC000096283513 222110688 /nfs/dbraw/zinc/11/06/88/222110688.db2.gz WQVLNNMZFIKSFN-UHFFFAOYSA-N 0 0 355.441 5.178 1 0 FKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(N)c1C ZINC000096283515 209150743 /nfs/dbraw/zinc/15/07/43/209150743.db2.gz FKNWKLYWGXANLI-UHFFFAOYSA-N 0 0 354.457 5.054 1 0 FKAFRN CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C)c1C ZINC000096283516 222110599 /nfs/dbraw/zinc/11/05/99/222110599.db2.gz RVUWASDCOIJWGK-UHFFFAOYSA-N 0 0 353.469 5.781 1 0 FKAFRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2ccncc2)n1 ZINC000096284259 222110363 /nfs/dbraw/zinc/11/03/63/222110363.db2.gz IQVIVUCZIJXEDE-UHFFFAOYSA-N 0 0 359.216 5.094 1 0 FKAFRN CCn1ccc2c1ccc1nc(-c3ccccc3)cc(Cn3ccnc3)c21 ZINC000096285999 222110868 /nfs/dbraw/zinc/11/08/68/222110868.db2.gz ZFYXQRAKMAWFHN-UHFFFAOYSA-N 0 0 352.441 5.121 1 0 FKAFRN CCn1ccc2c1ccc1c(Cn3ccnc3)cc(-c3ccccc3)nc21 ZINC000096286003 222111222 /nfs/dbraw/zinc/11/12/22/222111222.db2.gz JJBBGSQNJYBGBL-UHFFFAOYSA-N 0 0 352.441 5.121 1 0 FKAFRN CN1C(=O)C(c2[nH]c3ccccc3c2N=O)c2cccc(Br)c21 ZINC000096900287 222136409 /nfs/dbraw/zinc/13/64/09/222136409.db2.gz RQGLDKGZSNDMAT-UHFFFAOYSA-N 0 0 370.206 5.193 1 0 FKAFRN Oc1ccc(/C(=C(/F)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000096903471 209160284 /nfs/dbraw/zinc/16/02/84/209160284.db2.gz XJOUGYUNFQGCQZ-FMQUCBEESA-N 0 0 358.334 6.297 1 0 FKAFRN C[C@@H]1CCCc2c1nc1nc(=S)[nH]c(N)c1c2-c1ccc(Cl)cc1 ZINC000096906376 222137789 /nfs/dbraw/zinc/13/77/89/222137789.db2.gz GOQOCVXVPKBGFP-SECBINFHSA-N 0 0 356.882 5.030 1 0 FKAFRN C[C@H]1CCCc2c1nc1nc(=S)[nH]c(N)c1c2-c1ccc(Cl)cc1 ZINC000096906377 222137430 /nfs/dbraw/zinc/13/74/30/222137430.db2.gz GOQOCVXVPKBGFP-VIFPVBQESA-N 0 0 356.882 5.030 1 0 FKAFRN Cc1ccc(-c2nc3sc(Cc4ccccc4Cl)cc3c(N)n2)o1 ZINC000096907801 209160489 /nfs/dbraw/zinc/16/04/89/209160489.db2.gz MYJRPHGICROETI-UHFFFAOYSA-N 0 0 355.850 5.086 1 0 FKAFRN Nc1nc(-c2ccc(C(F)F)o2)nc2sc(Cc3ccccc3)cc21 ZINC000096908546 222137937 /nfs/dbraw/zinc/13/79/37/222137937.db2.gz AURLHFYBUXKXRM-UHFFFAOYSA-N 0 0 357.385 5.062 1 0 FKAFRN O=C(Nc1c2ccccc2[nH]c1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000096910146 222137920 /nfs/dbraw/zinc/13/79/20/222137920.db2.gz FGTQMXWJGDMLNR-UHFFFAOYSA-N 0 0 370.496 5.990 1 0 FKAFRN CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@@H]1c1ccc(F)cc1 ZINC000096910447 222137584 /nfs/dbraw/zinc/13/75/84/222137584.db2.gz SPLDXKXCVXJETQ-MRXNPFEDSA-N 0 0 367.203 5.213 1 0 FKAFRN CCOC(=O)C1=Cc2cc(Cl)cc(Cl)c2O[C@H]1c1ccc(F)cc1 ZINC000096910448 222137338 /nfs/dbraw/zinc/13/73/38/222137338.db2.gz SPLDXKXCVXJETQ-INIZCTEOSA-N 0 0 367.203 5.213 1 0 FKAFRN c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1noc(-c2ccccc2)n1 ZINC000096911229 209161536 /nfs/dbraw/zinc/16/15/36/209161536.db2.gz GPXCKPWOSUPUAY-UHFFFAOYSA-N 0 0 364.408 5.256 1 0 FKAFRN O=c1cc(CSc2nc3ccccc3s2)oc2ccc(Cl)cc12 ZINC000096911292 222139219 /nfs/dbraw/zinc/13/92/19/222139219.db2.gz PEIFTPCOVUXINT-UHFFFAOYSA-N 0 0 359.859 5.348 1 0 FKAFRN CCc1ccc2c(c1)[C@@H](c1ccc(OC)cc1)[C@H](C)[C@@H](c1ccccc1)N2 ZINC000096913178 222139433 /nfs/dbraw/zinc/13/94/33/222139433.db2.gz KLLPTXAQPYTSFD-AJHZIAPWSA-N 0 0 357.497 6.192 1 0 FKAFRN COc1ccc([C@@H]2c3cc(OC)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1 ZINC000096913180 222138787 /nfs/dbraw/zinc/13/87/87/222138787.db2.gz SJKWGHPDDCNDII-GHEQTVGYSA-N 0 0 359.469 5.639 1 0 FKAFRN COc1ccc([C@@H]2c3cc(Cl)ccc3N[C@H](c3ccccc3)[C@H]2C)cc1 ZINC000096913184 222138638 /nfs/dbraw/zinc/13/86/38/222138638.db2.gz DCTUVBWTDIKCOW-BJQRDSPESA-N 0 0 363.888 6.283 1 0 FKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](OC(=O)c3ccccc3)CCC[C@]12C ZINC000096914348 222138847 /nfs/dbraw/zinc/13/88/47/222138847.db2.gz UPEQPWHQQHTDQF-OWRAIZPZSA-N 0 0 370.577 6.891 1 0 FKAFRN 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FKAFRN c1cc(-c2ccc3ncc(-c4cccc(-c5ccccc5)c4)n3c2)cs1 ZINC000096927442 222141680 /nfs/dbraw/zinc/14/16/80/222141680.db2.gz CQTLRPKYPWEYCL-UHFFFAOYSA-N 0 0 352.462 6.397 1 0 FKAFRN Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccccc3)c2)cc1 ZINC000096927451 222141583 /nfs/dbraw/zinc/14/15/83/222141583.db2.gz SHUCWOWARPASCH-UHFFFAOYSA-N 0 0 364.423 6.474 1 0 FKAFRN Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccncc3)c2)cc1 ZINC000096927458 222140871 /nfs/dbraw/zinc/14/08/71/222140871.db2.gz OWJDWWHEFMILGM-UHFFFAOYSA-N 0 0 365.411 5.869 1 0 FKAFRN Fc1ccc(-c2nc3ccccn3c2-c2cccc(-c3ccoc3)c2)cc1 ZINC000096927460 222141599 /nfs/dbraw/zinc/14/15/99/222141599.db2.gz IJPSEWYDPPOLOP-UHFFFAOYSA-N 0 0 354.384 6.067 1 0 FKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C2(C(F)(F)F)CC2)cc1 ZINC000096929155 222141486 /nfs/dbraw/zinc/14/14/86/222141486.db2.gz IIICFIDURUZIMJ-UHFFFAOYSA-N 0 0 373.296 5.552 1 0 FKAFRN O=C1NC[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc2ccccc2c1 ZINC000096929914 209162957 /nfs/dbraw/zinc/16/29/57/209162957.db2.gz 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ZINC000096938356 205889168 /nfs/dbraw/zinc/88/91/68/205889168.db2.gz XUWAFIRGUZGIAA-UHFFFAOYSA-N 0 0 364.558 6.146 1 0 FKAFRN CCCCCn1c2ccccc2c2cc(C(=O)NCC(C)(C)C)ncc21 ZINC000096938363 222143395 /nfs/dbraw/zinc/14/33/95/222143395.db2.gz JSXJBGNWNNYUBU-UHFFFAOYSA-N 0 0 351.494 5.156 1 0 FKAFRN CCCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 ZINC000096938365 222143407 /nfs/dbraw/zinc/14/34/07/222143407.db2.gz NYEDXSGEEHGJAU-UHFFFAOYSA-N 0 0 362.517 6.001 1 0 FKAFRN Cc1cc(-c2ccc3oc(=O)cc(-c4ccccc4)c3c2)c(C)cc1CO ZINC000096940143 209164563 /nfs/dbraw/zinc/16/45/63/209164563.db2.gz UGMBVUOLBIPHPB-UHFFFAOYSA-N 0 0 356.421 5.236 1 0 FKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc(Cl)cc1 ZINC000096940149 222144576 /nfs/dbraw/zinc/14/45/76/222144576.db2.gz STOLJQNAWOSACU-UHFFFAOYSA-N 0 0 360.840 6.397 1 0 FKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1cccc(Cl)c1 ZINC000096940151 209164803 /nfs/dbraw/zinc/16/48/03/209164803.db2.gz IPMCYMMTHCXUCZ-UHFFFAOYSA-N 0 0 360.840 6.397 1 0 FKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccccc1Cl ZINC000096940153 209164523 /nfs/dbraw/zinc/16/45/23/209164523.db2.gz HQKHSDBLPHVITO-UHFFFAOYSA-N 0 0 360.840 6.397 1 0 FKAFRN COc1ccccc1-c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1C ZINC000096940156 209164786 /nfs/dbraw/zinc/16/47/86/209164786.db2.gz RPUOTRKOAXWGJT-UHFFFAOYSA-N 0 0 356.421 5.752 1 0 FKAFRN Cc1cc2oc(=O)cc(-c3ccccc3)c2c(C)c1-c1ccc([C@@H](C)O)cc1 ZINC000096940163 205888327 /nfs/dbraw/zinc/88/83/27/205888327.db2.gz RMNUOCJSKSTSEA-QGZVFWFLSA-N 0 0 370.448 5.797 1 0 FKAFRN Cc1cc(CO)ccc1-c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1C ZINC000096940169 222145158 /nfs/dbraw/zinc/14/51/58/222145158.db2.gz XIWUFZZFPQYGPY-UHFFFAOYSA-N 0 0 370.448 5.545 1 0 FKAFRN Cc1ccc(/C=C/c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 ZINC000096940170 209164333 /nfs/dbraw/zinc/16/43/33/209164333.db2.gz SZBBRTSTTJMRPI-BUHFOSPRSA-N 0 0 366.460 6.556 1 0 FKAFRN C=Cc1ccc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)cc1 ZINC000096940178 209164084 /nfs/dbraw/zinc/16/40/84/209164084.db2.gz 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QPYZLTLQGISONP-SFHVURJKSA-N 0 0 367.242 5.365 1 0 FKAFRN CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000098084945 209205111 /nfs/dbraw/zinc/20/51/11/209205111.db2.gz UIRGBYWISWGYEM-NOUBXCAASA-N 0 0 373.581 5.081 1 0 FKAFRN Cc1cc(Cl)c(N2C(=O)c3cccc4cccc(c43)C2=O)c(Cl)c1 ZINC000098085741 132232047 /nfs/dbraw/zinc/23/20/47/132232047.db2.gz GGRWEFFZZCGYNK-UHFFFAOYSA-N 0 0 356.208 5.256 1 0 FKAFRN O=C1/C(=C\c2ccco2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000098085786 209204658 /nfs/dbraw/zinc/20/46/58/209204658.db2.gz QWBVGQSWIOWZLL-KAMYIIQDSA-N 0 0 356.208 5.805 1 0 FKAFRN O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[n-]n1-c1ccc(Cl)cc1 ZINC000100033054 209208160 /nfs/dbraw/zinc/20/81/60/209208160.db2.gz FNKVMIBWGQCPFN-UHFFFAOYSA-N 0 0 365.795 5.099 1 0 FKAFRN CCOC(=O)C1=C(c2ccccc2)NC(CC)=C(C(=O)SCC)[C@@H]1CC ZINC000100037862 205939037 /nfs/dbraw/zinc/93/90/37/205939037.db2.gz AKZADXZKEFHHGK-MUNYZGMTSA-N 0 0 373.518 5.374 1 0 FKAFRN CCOC(=O)C1=C(c2ccccc2)NC(CC)=C(C(=O)SCC)[C@H]1CC ZINC000100037863 222232881 /nfs/dbraw/zinc/23/28/81/222232881.db2.gz AKZADXZKEFHHGK-OVFHLDOESA-N 0 0 373.518 5.374 1 0 FKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](CCC)C1C(=O)SCC ZINC000100038016 222233581 /nfs/dbraw/zinc/23/35/81/222233581.db2.gz DQAPCAIOIAMAQE-WFOVFMPGSA-N 0 0 373.518 5.374 1 0 FKAFRN FC(F)(F)c1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1 ZINC000100065459 209208886 /nfs/dbraw/zinc/20/88/86/209208886.db2.gz KMLSWQHKGJLUQH-UHFFFAOYSA-N 0 0 353.347 5.117 1 0 FKAFRN FC(F)(F)c1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1 ZINC000100065463 209209361 /nfs/dbraw/zinc/20/93/61/209209361.db2.gz XCIMCYYAYVQPIS-UHFFFAOYSA-N 0 0 353.347 5.117 1 0 FKAFRN FC(F)(F)c1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 ZINC000100065469 222234477 /nfs/dbraw/zinc/23/44/77/222234477.db2.gz WRXLFFYLXHPHFE-UHFFFAOYSA-N 0 0 353.347 5.117 1 0 FKAFRN c1ccc(-c2nc3ccn(Cc4ccc(-c5ccccc5)cc4)cc-3n2)cc1 ZINC000100065476 209209105 /nfs/dbraw/zinc/20/91/05/209209105.db2.gz MMVUCDMKDSXBOC-UHFFFAOYSA-N 0 0 361.448 5.765 1 0 FKAFRN Fc1ccccc1-c1nc2ccn(Cc3ccc(C(F)(F)F)cc3)cc-2n1 ZINC000100068474 222234184 /nfs/dbraw/zinc/23/41/84/222234184.db2.gz MSZBYSLTRYXXBB-UHFFFAOYSA-N 0 0 371.337 5.256 1 0 FKAFRN CC(C)c1ccc(Cn2ccc3nc(-c4cccc(F)c4F)nc-3c2)cc1 ZINC000100068578 222234804 /nfs/dbraw/zinc/23/48/04/222234804.db2.gz GJVNZNVVLVNVLN-UHFFFAOYSA-N 0 0 363.411 5.500 1 0 FKAFRN Cc1ccc(F)c(-c2nc3ccn(Cc4ccc(C(C)C)cc4)cc-3n2)c1 ZINC000100068587 209209129 /nfs/dbraw/zinc/20/91/29/209209129.db2.gz VVENASDXYZLBHC-UHFFFAOYSA-N 0 0 359.448 5.669 1 0 FKAFRN Fc1c(Cl)cccc1-c1nc2ccn(Cc3ccc(Cl)cc3)cc-2n1 ZINC000100068591 222234992 /nfs/dbraw/zinc/23/49/92/222234992.db2.gz ZJNLFKRTKPGYKU-UHFFFAOYSA-N 0 0 372.230 5.544 1 0 FKAFRN O=c1cc(N2CCCCC2)oc2c1cccc2-c1cc(-c2ccoc2)ccn1 ZINC000100077976 132232067 /nfs/dbraw/zinc/23/20/67/132232067.db2.gz RAPORCIORBWPTG-UHFFFAOYSA-N 0 0 372.424 5.105 1 0 FKAFRN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000100632717 222248299 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COc1cccc([C@@H]2CC(=O)C3Sc4cc(Cl)ccc4N=C3C2)c1 ZINC000100796279 209217747 /nfs/dbraw/zinc/21/77/47/209217747.db2.gz ZHMKBYAPEBVHNQ-LBPRGKRZSA-N 0 0 357.862 5.874 1 0 FKAFRN COc1ccc([C@@H]2CC(=O)C3Sc4cc(F)ccc4N=C3C2)cc1OC ZINC000100796305 205947788 /nfs/dbraw/zinc/94/77/88/205947788.db2.gz NKUKURNSCKFLTA-LBPRGKRZSA-N 0 0 371.433 5.368 1 0 FKAFRN COc1cccc([C@@H]2CC(=O)C3Sc4cc(F)ccc4N=C3C2)c1OC ZINC000100796328 209217158 /nfs/dbraw/zinc/21/71/58/209217158.db2.gz AFXLXGZTGSVEEW-NSHDSACASA-N 0 0 371.433 5.368 1 0 FKAFRN O=c1oc2c(c(O)c1[C@@H](c1ccccc1)C1CC1)CCCCCCCC2 ZINC000100808305 222254419 /nfs/dbraw/zinc/25/44/19/222254419.db2.gz AMQQAQXRRHSJHR-FQEVSTJZSA-N 0 0 352.474 5.327 1 0 FKAFRN Cc1nc2cc(CSc3ccc(Cl)cc3)[nH]c2c(N2CCCCC2)n1 ZINC000100867602 136151125 /nfs/dbraw/zinc/15/11/25/136151125.db2.gz RKEVQAHNCOKLIZ-UHFFFAOYSA-N 0 0 372.925 5.154 1 0 FKAFRN CCCCC[C@@H](CC)CNc1nc(C)nc2cc(-c3ccccc3)[nH]c21 ZINC000100867610 222255099 /nfs/dbraw/zinc/25/50/99/222255099.db2.gz NCFZGLGFTBPAMI-QGZVFWFLSA-N 0 0 350.510 5.903 1 0 FKAFRN CCCCC[C@H](CC)CNc1nc(C)nc2cc(-c3ccccc3)[nH]c21 ZINC000100867615 222255155 /nfs/dbraw/zinc/25/51/55/222255155.db2.gz NCFZGLGFTBPAMI-KRWDZBQOSA-N 0 0 350.510 5.903 1 0 FKAFRN c1c2nc(-c3ccccc3)nc(N3CCCCC3)c2[nH]c1-c1ccccc1 ZINC000100867699 136151128 /nfs/dbraw/zinc/15/11/28/136151128.db2.gz HPWUFPQHXPUHAQ-UHFFFAOYSA-N 0 0 354.457 5.234 1 0 FKAFRN O=C1CCCC2=C1[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)n1nccc1N2 ZINC000100914072 222256617 /nfs/dbraw/zinc/25/66/17/222256617.db2.gz ZZBRCHCUZICPAN-MRXNPFEDSA-N 0 0 367.758 5.227 1 0 FKAFRN CN1c2cc(Br)ccc2C(c2[nH]c3ccccc3c2N=O)C1=O ZINC000100992413 205950758 /nfs/dbraw/zinc/95/07/58/205950758.db2.gz PIDGGJYETVQYET-UHFFFAOYSA-N 0 0 370.206 5.193 1 0 FKAFRN C[C@H]1Sc2ccc(Cl)cc2C(=O)C1C(=O)Nc1cccc(Cl)c1 ZINC000101002058 209220660 /nfs/dbraw/zinc/22/06/60/209220660.db2.gz IZACCOPDTVOHKX-SECBINFHSA-N 0 0 366.269 5.395 1 0 FKAFRN C[C@@H]1Sc2ccc(Cl)cc2C(=O)C1C(=O)Nc1cccc(Cl)c1 ZINC000101002062 222259519 /nfs/dbraw/zinc/25/95/19/222259519.db2.gz IZACCOPDTVOHKX-VIFPVBQESA-N 0 0 366.269 5.395 1 0 FKAFRN c1[nH]nc2cc(Nc3nc4ccccc4c4nc(C5CCCC5)[nH]c43)ccc12 ZINC000101043082 209220927 /nfs/dbraw/zinc/22/09/27/209220927.db2.gz XBNGMRYJZRQQGJ-UHFFFAOYSA-N 0 0 368.444 5.340 1 0 FKAFRN COc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c32)cc1 ZINC000101043227 209220179 /nfs/dbraw/zinc/22/01/79/209220179.db2.gz SYCMCXKSCZYNPX-UHFFFAOYSA-N 0 0 358.445 5.473 1 0 FKAFRN Clc1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c32)cc1 ZINC000101087739 222262012 /nfs/dbraw/zinc/26/20/12/222262012.db2.gz MGMLCNPIQUCXFO-UHFFFAOYSA-N 0 0 362.864 6.117 1 0 FKAFRN O=Nc1c2ccccc2[nH]c1C1C(=O)Nc2c1cccc2Br ZINC000101094032 222261742 /nfs/dbraw/zinc/26/17/42/222261742.db2.gz HYMACPDEJIEMST-UHFFFAOYSA-N 0 0 356.179 5.182 1 0 FKAFRN O=Nc1c2ccccc2[nH]c1C1C(=O)Nc2cc(Br)ccc21 ZINC000101094033 209220787 /nfs/dbraw/zinc/22/07/87/209220787.db2.gz SAQUSDSPQYQNBG-UHFFFAOYSA-N 0 0 356.179 5.182 1 0 FKAFRN CCOC(=O)C(=CNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000101108702 222261864 /nfs/dbraw/zinc/26/18/64/222261864.db2.gz LFUKCNNYTLVSDT-MHWRWJLKSA-N 0 0 370.663 5.663 1 0 FKAFRN CCO[P@](=O)(Cc1ccc(-c2nc3ccccc3s2)cc1)NC(C)C ZINC000101250931 222266040 /nfs/dbraw/zinc/26/60/40/222266040.db2.gz IUGPHUFZBTZFMM-XMMPIXPASA-N 0 0 374.446 5.691 1 0 FKAFRN c1ccc(CCNc2nc3ccccc3c3nc(C4CCCC4)[nH]c32)cc1 ZINC000101382890 222273435 /nfs/dbraw/zinc/27/34/35/222273435.db2.gz QJYJSZXEMLIZCF-UHFFFAOYSA-N 0 0 356.473 5.375 1 0 FKAFRN c1ccc2c3nc(C4CCCC4)[nH]c3c(Nc3ccc4c(c3)CCC4)nc2c1 ZINC000101412448 209225738 /nfs/dbraw/zinc/22/57/38/209225738.db2.gz NZFDBINXNRUFCN-UHFFFAOYSA-N 0 0 368.484 5.953 1 0 FKAFRN c1cc2ccc(Nc3nc4ccccc4c4nc(C5CCCC5)[nH]c43)cc2[nH]1 ZINC000101412600 209224820 /nfs/dbraw/zinc/22/48/20/209224820.db2.gz DQTVCJBEFLMTFZ-UHFFFAOYSA-N 0 0 367.456 5.945 1 0 FKAFRN CCOC(=O)C(=CNc1cc(Cl)cc(Cl)c1)c1ccc(OC)cc1 ZINC000101427231 222274355 /nfs/dbraw/zinc/27/43/55/222274355.db2.gz VBVGAJAPIJGBLU-BOPFTXTBSA-N 0 0 366.244 5.018 1 0 FKAFRN c1ccc(C2=Nc3ccccc3[C@@H]2C2CCN(c3ccccc3)CC2)cc1 ZINC000101640655 132234170 /nfs/dbraw/zinc/23/41/70/132234170.db2.gz SKANGXDRVLBYBV-DEOSSOPVSA-N 0 0 352.481 5.821 1 0 FKAFRN COc1ccc(C(C(C)=O)c2ccc3ccccc3c2)c(OC)c1OC ZINC000101662064 222280707 /nfs/dbraw/zinc/28/07/07/222280707.db2.gz JTYMXQSQVUJQDK-ZHZULCJRSA-N 0 0 350.414 5.203 1 0 FKAFRN Cc1[nH]c(C)c([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)c(=O)c1Cl ZINC000101671390 222280895 /nfs/dbraw/zinc/28/08/95/222280895.db2.gz KAXKBGORPSMNKI-OTVXOJSOSA-N 0 0 350.289 5.740 1 0 FKAFRN CCOC(=O)C(=CNc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000101682234 222281016 /nfs/dbraw/zinc/28/10/16/222281016.db2.gz NCODCHMMORQKHV-UVTDQMKNSA-N 0 0 370.663 5.663 1 0 FKAFRN COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)ccc1O ZINC000101691924 222280676 /nfs/dbraw/zinc/28/06/76/222280676.db2.gz VXWGDPJHAFSNPG-OAQYLSRUSA-N 0 0 372.424 5.163 1 0 FKAFRN COc1cc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)ccc1O ZINC000101691932 222280352 /nfs/dbraw/zinc/28/03/52/222280352.db2.gz VXWGDPJHAFSNPG-NRFANRHFSA-N 0 0 372.424 5.163 1 0 FKAFRN CCOC(=O)C(=CNc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000101711218 209228600 /nfs/dbraw/zinc/22/86/00/209228600.db2.gz DQSHOTPHOIJLQM-HAVVHWLPSA-N 0 0 373.452 5.282 1 0 FKAFRN CC(C)[C@@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1Cc1ccsc1 ZINC000101731916 209229469 /nfs/dbraw/zinc/22/94/69/209229469.db2.gz SGTDVYJWFFKLLN-HXUWFJFHSA-N 0 0 363.482 5.237 1 0 FKAFRN CC(C)[C@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1Cc1ccsc1 ZINC000101731921 222281531 /nfs/dbraw/zinc/28/15/31/222281531.db2.gz SGTDVYJWFFKLLN-FQEVSTJZSA-N 0 0 363.482 5.237 1 0 FKAFRN Cc1nn(-c2cccc(C)c2)c2c1[C@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000101756444 209229578 /nfs/dbraw/zinc/22/95/78/209229578.db2.gz UVINIJXELDZEAI-QFIPXVFZSA-N 0 0 370.456 5.098 1 0 FKAFRN Cc1nn(-c2cccc(C)c2)c2c1[C@@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000101756449 222284281 /nfs/dbraw/zinc/28/42/81/222284281.db2.gz UVINIJXELDZEAI-JOCHJYFZSA-N 0 0 370.456 5.098 1 0 FKAFRN CC(C)[C@@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1 ZINC000101774341 222283482 /nfs/dbraw/zinc/28/34/82/222283482.db2.gz YOLGLKVVEBTMHH-JOCHJYFZSA-N 0 0 363.501 5.556 1 0 FKAFRN CC(C)[C@H]1C(O)=C(c2ccc3ccccc3c2)C(=O)N1CC1CCCCC1 ZINC000101774344 222284677 /nfs/dbraw/zinc/28/46/77/222284677.db2.gz YOLGLKVVEBTMHH-QFIPXVFZSA-N 0 0 363.501 5.556 1 0 FKAFRN CCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)cc1 ZINC000101895447 222285800 /nfs/dbraw/zinc/28/58/00/222285800.db2.gz YMHINAJXKVTASY-JOCHJYFZSA-N 0 0 370.452 5.848 1 0 FKAFRN CCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CCC3)cc1 ZINC000101895451 205965670 /nfs/dbraw/zinc/96/56/70/205965670.db2.gz YMHINAJXKVTASY-QFIPXVFZSA-N 0 0 370.452 5.848 1 0 FKAFRN CCO[P@@](=O)(NC1CCCCC1)Oc1ccc(C(F)(F)F)cc1 ZINC000102073840 222289831 /nfs/dbraw/zinc/28/98/31/222289831.db2.gz CAAZYUCHWWIOLT-QHCPKHFHSA-N 0 0 351.305 5.151 1 0 FKAFRN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CC[C@H](C)C(=O)NCCF ZINC000102262608 222292936 /nfs/dbraw/zinc/29/29/36/222292936.db2.gz HMMNZALKMVCHHZ-RRLBHHRISA-N 0 0 363.561 6.464 1 0 FKAFRN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccn1)Nc1ccccc1N2 ZINC000102563684 222299611 /nfs/dbraw/zinc/29/96/11/222299611.db2.gz XVGNNWYEOHOOTA-OSPHWJPCSA-N 0 0 367.452 5.711 1 0 FKAFRN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 ZINC000102563690 205975654 /nfs/dbraw/zinc/97/56/54/205975654.db2.gz XVGNNWYEOHOOTA-BXKMTCNYSA-N 0 0 367.452 5.711 1 0 FKAFRN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2 ZINC000102563693 222299565 /nfs/dbraw/zinc/29/95/65/222299565.db2.gz XVGNNWYEOHOOTA-MZNJEOGPSA-N 0 0 367.452 5.711 1 0 FKAFRN Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000102581158 222300377 /nfs/dbraw/zinc/30/03/77/222300377.db2.gz GKTWZZIZYUEJMK-NRFANRHFSA-N 0 0 369.461 5.272 1 0 FKAFRN Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000102581160 222299092 /nfs/dbraw/zinc/29/90/92/222299092.db2.gz GKTWZZIZYUEJMK-OAQYLSRUSA-N 0 0 369.461 5.272 1 0 FKAFRN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(F)cc1)OCO3 ZINC000102629499 222302291 /nfs/dbraw/zinc/30/22/91/222302291.db2.gz JJHULZGYCISGOB-HXUWFJFHSA-N 0 0 365.404 5.405 1 0 FKAFRN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(F)cc1)OCO3 ZINC000102629502 222302164 /nfs/dbraw/zinc/30/21/64/222302164.db2.gz JJHULZGYCISGOB-FQEVSTJZSA-N 0 0 365.404 5.405 1 0 FKAFRN CCOC(=O)c1sc2c(c1C)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000102710451 222305542 /nfs/dbraw/zinc/30/55/42/222305542.db2.gz ZYQDQCQYVMWGED-MRXNPFEDSA-N 0 0 373.499 5.509 1 0 FKAFRN CC1=CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@H](c3ccccc3)N12 ZINC000102897084 205983883 /nfs/dbraw/zinc/98/38/83/205983883.db2.gz XWGRXQHTTFBINK-FIWMFUAISA-N 0 0 370.521 6.529 1 0 FKAFRN CC1=CSC2=NC3=C(CCC/C3=C\c3ccccc3)[C@@H](c3ccccc3)N12 ZINC000102897086 209243827 /nfs/dbraw/zinc/24/38/27/209243827.db2.gz XWGRXQHTTFBINK-QFXGEWDLSA-N 0 0 370.521 6.529 1 0 FKAFRN CC1=C(C)C[C@H]2C(=O)N(c3cc(C(C)(C)C)ccc3C(C)(C)C)C(=O)[C@@H]2C1 ZINC000102938419 222314697 /nfs/dbraw/zinc/31/46/97/222314697.db2.gz BLRBFXKWWFDGCB-QZTJIDSGSA-N 0 0 367.533 5.517 1 0 FKAFRN Cc1ccc([S@@](=O)(=Nc2ccccc2)[C@@H](C(C)C)C(C)(C)Cl)cc1 ZINC000102947010 222315055 /nfs/dbraw/zinc/31/50/55/222315055.db2.gz DVFUUDXSWUKQSE-CYFREDJKSA-N 0 0 363.954 6.196 1 0 FKAFRN Cc1ccc([S@@](=O)(=Nc2ccccc2)[C@H](C(C)C)C(C)(C)Cl)cc1 ZINC000102947013 209244473 /nfs/dbraw/zinc/24/44/73/209244473.db2.gz DVFUUDXSWUKQSE-DVECYGJZSA-N 0 0 363.954 6.196 1 0 FKAFRN C(\c1cccs1)=C1\CCCC2=C1N=C1SC=CN1[C@@H]2c1cccs1 ZINC000102973961 209244043 /nfs/dbraw/zinc/24/40/43/209244043.db2.gz DSKUFLMIVNWNEB-HHNLSAEISA-N 0 0 368.552 6.262 1 0 FKAFRN C(\c1cccs1)=C1\CCCC2=C1N=C1SC=CN1[C@H]2c1cccs1 ZINC000102973963 209243499 /nfs/dbraw/zinc/24/34/99/209243499.db2.gz DSKUFLMIVNWNEB-QFQMRYFISA-N 0 0 368.552 6.262 1 0 FKAFRN O=C1CC(=O)CC(c2cc(-c3cccc(Cl)c3)cc(C(F)(F)F)c2)C1 ZINC000102974572 222316340 /nfs/dbraw/zinc/31/63/40/222316340.db2.gz UXXPYGNIHNTLCJ-UHFFFAOYSA-N 0 0 366.766 5.432 1 0 FKAFRN Cc1cccc2c1OCN(c1ccc3c(=O)cc(-c4ccccc4)oc3c1)C2 ZINC000103156815 132236726 /nfs/dbraw/zinc/23/67/26/132236726.db2.gz DEPNNMIZJXIGNU-UHFFFAOYSA-N 0 0 369.420 5.125 1 0 FKAFRN Nc1c2c(nc3nc(-c4ccccc4)cc(C(F)(F)F)c13)CCCCC2 ZINC000103168219 209246462 /nfs/dbraw/zinc/24/64/62/209246462.db2.gz WDGPMSCKIAVOFM-UHFFFAOYSA-N 0 0 357.379 5.167 1 0 FKAFRN C[C@H]1CCc2c(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc3nc2C1 ZINC000103168668 209246452 /nfs/dbraw/zinc/24/64/52/209246452.db2.gz NBXVRBUWBMRGAG-NSHDSACASA-N 0 0 357.379 5.023 1 0 FKAFRN C[C@H]1CCc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c(N)c2C1 ZINC000103168672 209246660 /nfs/dbraw/zinc/24/66/60/209246660.db2.gz QTICPRZEJAZQKT-NSHDSACASA-N 0 0 357.379 5.023 1 0 FKAFRN Brc1ccc(-c2nnc(N3CCCCC3)c3ccccc32)cc1 ZINC000103168733 532961355 /nfs/dbraw/zinc/96/13/55/532961355.db2.gz YECRYSXBDLBNPV-UHFFFAOYSA-N 0 0 368.278 5.050 1 0 FKAFRN Cn1s/c(=N/c2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)cc1 ZINC000103168898 209247387 /nfs/dbraw/zinc/24/73/87/209247387.db2.gz WCYWZWUBZWSRRU-DYTRJAOYSA-N 0 0 357.910 5.332 1 0 FKAFRN Cc1cccc2c1OCN(c1ccc3oc(-c4ccccc4)cc(=O)c3c1)C2 ZINC000103172346 132236866 /nfs/dbraw/zinc/23/68/66/132236866.db2.gz GWIRMFFRHMLLCL-UHFFFAOYSA-N 0 0 369.420 5.125 1 0 FKAFRN COc1ccc([C@@H](c2ccc(F)cc2)c2c(O)ccc3ccccc32)cc1 ZINC000103173157 209246844 /nfs/dbraw/zinc/24/68/44/209246844.db2.gz VSBNFIPZVRTYHO-HSZRJFAPSA-N 0 0 358.412 5.873 1 0 FKAFRN COc1ccc([C@H](c2ccc(Cl)cc2)c2c(O)ccc3ccccc32)cc1 ZINC000103173165 209247210 /nfs/dbraw/zinc/24/72/10/209247210.db2.gz PIPNRUUUVUXONF-QHCPKHFHSA-N 0 0 374.867 6.388 1 0 FKAFRN O=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1-c1cccc(Cl)c1 ZINC000103174464 222323146 /nfs/dbraw/zinc/32/31/46/222323146.db2.gz UOKYQJRQRWGPCM-UHFFFAOYSA-N 0 0 367.235 5.360 1 0 FKAFRN Cc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccccc2)s1 ZINC000103175086 222322929 /nfs/dbraw/zinc/32/29/29/222322929.db2.gz SPUOHNXUEJGKPL-UHFFFAOYSA-N 0 0 362.376 5.390 1 0 FKAFRN Cc1ccc2c(c1)CN(c1ccc3oc(-c4ccccc4)cc(=O)c3c1)CO2 ZINC000103175697 132236931 /nfs/dbraw/zinc/23/69/31/132236931.db2.gz NDJAWTOTXRSKFF-UHFFFAOYSA-N 0 0 369.420 5.125 1 0 FKAFRN CC(=O)OC/C=C(\C)C[C@H](C)C[C@H](C)CCCCCCCCC(C)C ZINC000103176509 222322774 /nfs/dbraw/zinc/32/27/74/222322774.db2.gz YOKQQBWIWJYSNO-JNBKCATLSA-N 0 0 352.603 7.325 1 0 FKAFRN CC(=O)OC/C=C(\C)C[C@H](C)C[C@@H](C)CCCCCCCCC(C)C ZINC000103176512 222322782 /nfs/dbraw/zinc/32/27/82/222322782.db2.gz YOKQQBWIWJYSNO-UKGKJFFASA-N 0 0 352.603 7.325 1 0 FKAFRN CC(=O)OC/C=C(\C)C[C@@H](C)C[C@H](C)CCCCCCCCC(C)C ZINC000103176514 209246334 /nfs/dbraw/zinc/24/63/34/209246334.db2.gz YOKQQBWIWJYSNO-IUEIJJPLSA-N 0 0 352.603 7.325 1 0 FKAFRN CC(=O)OC/C=C(\C)C[C@@H](C)C[C@@H](C)CCCCCCCCC(C)C ZINC000103176516 222323100 /nfs/dbraw/zinc/32/31/00/222323100.db2.gz YOKQQBWIWJYSNO-ZDEWFUBOSA-N 0 0 352.603 7.325 1 0 FKAFRN Cn1s/c(=N/c2ccc(Cl)cc2)nc1-c1cc(Cl)cc(Cl)c1 ZINC000103179751 222323693 /nfs/dbraw/zinc/32/36/93/222323693.db2.gz MNHFKCASZCEPLB-XDJHFCHBSA-N 0 0 370.692 5.341 1 0 FKAFRN FC(F)(F)c1ccc2c(c1)CN1CN2Cc2cc(C(F)(F)F)ccc21 ZINC000103179810 132237023 /nfs/dbraw/zinc/23/70/23/132237023.db2.gz MCBSQMTZOWTKBB-UHFFFAOYSA-N 0 0 358.285 5.022 1 0 FKAFRN Cc1ccc(-c2nn(-c3nc4cc(Cl)cc(Cl)c4o3)cc2C=O)cc1 ZINC000103180425 209246744 /nfs/dbraw/zinc/24/67/44/209246744.db2.gz QKLGVBXRJZAZHF-UHFFFAOYSA-N 0 0 372.211 5.108 1 0 FKAFRN CCC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 ZINC000103181076 209247004 /nfs/dbraw/zinc/24/70/04/209247004.db2.gz HPQOOJOUVVIFGS-UHFFFAOYSA-N 0 0 362.498 5.237 1 0 FKAFRN COc1ccc(-c2cc3cc(/C=C\c4ccccc4)ccc3oc2=O)cc1 ZINC000103181240 222322787 /nfs/dbraw/zinc/32/27/87/222322787.db2.gz CDDDVUODUYOENR-FPLPWBNLSA-N 0 0 354.405 5.639 1 0 FKAFRN COc1ccc(/C=C\c2ccc3oc(=O)c(-c4ccccc4)cc3c2)cc1 ZINC000103182735 209246751 /nfs/dbraw/zinc/24/67/51/209246751.db2.gz XXYVGINCJVSVPW-FPLPWBNLSA-N 0 0 354.405 5.639 1 0 FKAFRN COc1ccc(/C=C/c2ccc3oc(=O)c(-c4ccccc4)cc3c2)cc1 ZINC000103182738 209246756 /nfs/dbraw/zinc/24/67/56/209246756.db2.gz XXYVGINCJVSVPW-BQYQJAHWSA-N 0 0 354.405 5.639 1 0 FKAFRN Cn1s/c(=N/c2ccc(Cl)cc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000103182773 222323358 /nfs/dbraw/zinc/32/33/58/222323358.db2.gz JJWVAFLYYDNZEK-XDJHFCHBSA-N 0 0 370.692 5.341 1 0 FKAFRN CCc1ccc(C(=O)NC(CC)(CC)C(=O)c2cc(C)cc(C)c2)cc1 ZINC000103183416 209247206 /nfs/dbraw/zinc/24/72/06/209247206.db2.gz NOPSQZLYKMXQNR-UHFFFAOYSA-N 0 0 351.490 5.037 1 0 FKAFRN Cn1s/c(=N/c2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1 ZINC000103184086 209246895 /nfs/dbraw/zinc/24/68/95/209246895.db2.gz BKPAAVXYZOXDLH-XDJHFCHBSA-N 0 0 370.692 5.341 1 0 FKAFRN Fc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)N2c2ccccc2)cc1 ZINC000103184140 209246436 /nfs/dbraw/zinc/24/64/36/209246436.db2.gz VLGMEZOOLGNFIU-FQEVSTJZSA-N 0 0 352.796 5.376 1 0 FKAFRN Fc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)N2c2ccccc2)cc1 ZINC000103184143 222322726 /nfs/dbraw/zinc/32/27/26/222322726.db2.gz VLGMEZOOLGNFIU-HXUWFJFHSA-N 0 0 352.796 5.376 1 0 FKAFRN CS(=O)(=O)c1ccc(/C=C(\c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000103184275 222323127 /nfs/dbraw/zinc/32/31/27/222323127.db2.gz BLIMAHXYOZZLTM-RCCKNPSSSA-N 0 0 368.885 5.332 1 0 FKAFRN Fc1cc(-c2nc3ccc(Br)cc3s2)c(F)c(F)c1F ZINC000103184556 222323328 /nfs/dbraw/zinc/32/33/28/222323328.db2.gz ZSBLJAYSDGKPPQ-UHFFFAOYSA-N 0 0 362.145 5.282 1 0 FKAFRN CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccc(C)cc3s2)C1 ZINC000103184795 222323087 /nfs/dbraw/zinc/32/30/87/222323087.db2.gz UUWCZMVTXWNEIU-UHFFFAOYSA-N 0 0 362.498 5.156 1 0 FKAFRN CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cc(C)ccc3s2)C1 ZINC000103184898 209247227 /nfs/dbraw/zinc/24/72/27/209247227.db2.gz JYMCIOLUPLMXGA-UHFFFAOYSA-N 0 0 362.498 5.156 1 0 FKAFRN CCCCc1ccc(/N=c2\nc(-c3ccc(Cl)cc3)n(C)s2)cc1 ZINC000103185277 222323001 /nfs/dbraw/zinc/32/30/01/222323001.db2.gz LSAQXGKWPIAKSA-XUTLUUPISA-N 0 0 357.910 5.377 1 0 FKAFRN Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)s2)c1 ZINC000103185618 222323455 /nfs/dbraw/zinc/32/34/55/222323455.db2.gz RYGYXLMEXHEEKA-UHFFFAOYSA-N 0 0 358.879 5.027 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2cc(F)cc(F)c2)nn1 ZINC000103186320 222323543 /nfs/dbraw/zinc/32/35/43/222323543.db2.gz LGVHVNFQIATITR-UHFFFAOYSA-N 0 0 366.289 5.541 1 0 FKAFRN CCCC[C@]1(CC)Cc2cccc(NC(=O)c3cccnc3Cl)c2O1 ZINC000103187012 222323656 /nfs/dbraw/zinc/32/36/56/222323656.db2.gz HPUQRJJMMNTYMD-HXUWFJFHSA-N 0 0 358.869 5.261 1 0 FKAFRN CCCC[C@@]1(CC)Cc2cccc(NC(=O)c3cccnc3Cl)c2O1 ZINC000103187014 209246957 /nfs/dbraw/zinc/24/69/57/209246957.db2.gz HPUQRJJMMNTYMD-FQEVSTJZSA-N 0 0 358.869 5.261 1 0 FKAFRN Cc1ccc(COc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103189456 222322819 /nfs/dbraw/zinc/32/28/19/222322819.db2.gz UCMVEWAKDVIGAF-UHFFFAOYSA-N 0 0 358.363 5.358 1 0 FKAFRN Cc1ccc(Oc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000103189632 222323171 /nfs/dbraw/zinc/32/31/71/222323171.db2.gz VFOOASAGTPYZKU-UHFFFAOYSA-N 0 0 358.363 5.880 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2c(C)cccc2C)nn1 ZINC000103189636 209248169 /nfs/dbraw/zinc/24/81/69/209248169.db2.gz WWCWWEDMCJCGHM-UHFFFAOYSA-N 0 0 358.363 5.880 1 0 FKAFRN CC[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1c1cccc(F)c1 ZINC000103190584 222323042 /nfs/dbraw/zinc/32/30/42/222323042.db2.gz BOYAYDCAQXMQSM-PXAZEXFGSA-N 0 0 351.343 5.001 1 0 FKAFRN CC[C@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1c1cccc(F)c1 ZINC000103190587 222324550 /nfs/dbraw/zinc/32/45/50/222324550.db2.gz BOYAYDCAQXMQSM-SJCJKPOMSA-N 0 0 351.343 5.001 1 0 FKAFRN CC[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1c1cccc(F)c1 ZINC000103190591 222324853 /nfs/dbraw/zinc/32/48/53/222324853.db2.gz BOYAYDCAQXMQSM-SJKOYZFVSA-N 0 0 351.343 5.001 1 0 FKAFRN CCN(CC)c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000103191708 222324545 /nfs/dbraw/zinc/32/45/45/222324545.db2.gz NZZQQPKJDJEHGW-UHFFFAOYSA-N 0 0 368.702 5.528 1 0 FKAFRN O=C(c1cc2cc(-c3ccccc3)ccc2o1)c1ccc(-c2ccccc2)cc1 ZINC000103192591 209247921 /nfs/dbraw/zinc/24/79/21/209247921.db2.gz QXRJWHPIVKZHIJ-UHFFFAOYSA-N 0 0 374.439 6.998 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2cccc(Cl)c2)nn1 ZINC000103193083 209248513 /nfs/dbraw/zinc/24/85/13/209248513.db2.gz GCRYWJAOKMGDHG-UHFFFAOYSA-N 0 0 364.754 5.917 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Oc2ccc(Cl)cc2)nn1 ZINC000103193086 222324132 /nfs/dbraw/zinc/32/41/32/222324132.db2.gz RJRZRZATNMXIPJ-UHFFFAOYSA-N 0 0 364.754 5.917 1 0 FKAFRN C[C@@H](NC(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)c1ccccc1 ZINC000103196919 222324517 /nfs/dbraw/zinc/32/45/17/222324517.db2.gz NIGLUZQDBWZGOF-MRXNPFEDSA-N 0 0 352.522 6.164 1 0 FKAFRN C[C@H](NC(=O)Nc1cc(C(C)(C)C)ccc1C(C)(C)C)c1ccccc1 ZINC000103196921 222324367 /nfs/dbraw/zinc/32/43/67/222324367.db2.gz NIGLUZQDBWZGOF-INIZCTEOSA-N 0 0 352.522 6.164 1 0 FKAFRN CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3c(cccc3C)s2)C1 ZINC000103197599 209248355 /nfs/dbraw/zinc/24/83/55/209248355.db2.gz IOYIOJQEQJDOKN-UHFFFAOYSA-N 0 0 362.498 5.156 1 0 FKAFRN Cc1cc(C)c(C2C(=O)N(OCC3CCCCC3)C(C)(C)C2=O)c(C)c1 ZINC000103197607 209248307 /nfs/dbraw/zinc/24/83/07/209248307.db2.gz HPIXVYOHAZLVOB-UHFFFAOYSA-N 0 0 357.494 5.014 1 0 FKAFRN Cc1nc(C(F)F)c(C(=O)Nc2ccsc2[C@H](C)CC(C)C)s1 ZINC000103197684 222324720 /nfs/dbraw/zinc/32/47/20/222324720.db2.gz TWYFNXVNUVZDET-SECBINFHSA-N 0 0 358.479 5.853 1 0 FKAFRN CC[C@@H](C)C[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197713 222324824 /nfs/dbraw/zinc/32/48/24/222324824.db2.gz MTNMQRCVEVQDPA-GHMZBOCLSA-N 0 0 373.444 5.292 1 0 FKAFRN CC[C@H](C)C[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197716 222324567 /nfs/dbraw/zinc/32/45/67/222324567.db2.gz MTNMQRCVEVQDPA-WDEREUQCSA-N 0 0 373.444 5.292 1 0 FKAFRN CC[C@H](C)C[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197720 222324481 /nfs/dbraw/zinc/32/44/81/222324481.db2.gz MTNMQRCVEVQDPA-QWRGUYRKSA-N 0 0 373.444 5.292 1 0 FKAFRN C[C@@H](CC(C)(C)C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197773 209248584 /nfs/dbraw/zinc/24/85/84/209248584.db2.gz UVXIRTGIDQOKGE-JTQLQIEISA-N 0 0 373.444 5.292 1 0 FKAFRN C[C@H](CC(C)(C)C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197776 209248617 /nfs/dbraw/zinc/24/86/17/209248617.db2.gz UVXIRTGIDQOKGE-SNVBAGLBSA-N 0 0 373.444 5.292 1 0 FKAFRN CC(C)CC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197787 222324489 /nfs/dbraw/zinc/32/44/89/222324489.db2.gz JLUIDEVPLCSUIV-NSHDSACASA-N 0 0 373.444 5.292 1 0 FKAFRN CCCC[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F ZINC000103197803 209248248 /nfs/dbraw/zinc/24/82/48/209248248.db2.gz SBTMBSWHVJFOKF-SNVBAGLBSA-N 0 0 359.417 5.046 1 0 FKAFRN c1ccc2c(c1)cccc2NC1=NS[C@H](Nc2cccc3ccccc32)N1 ZINC000103198113 222324245 /nfs/dbraw/zinc/32/42/45/222324245.db2.gz FBEMKOHMCWBVQQ-JOCHJYFZSA-N 0 0 370.481 5.408 1 0 FKAFRN c1ccc2c(c1)cccc2NC1=NS[C@@H](Nc2cccc3ccccc32)N1 ZINC000103198115 209248636 /nfs/dbraw/zinc/24/86/36/209248636.db2.gz FBEMKOHMCWBVQQ-QFIPXVFZSA-N 0 0 370.481 5.408 1 0 FKAFRN CN(C)C(=O)O[C@@H](c1cccc2ccccc21)c1cnccc1C(F)(F)F ZINC000103198756 209248395 /nfs/dbraw/zinc/24/83/95/209248395.db2.gz INABRMVVKWVYMD-SFHVURJKSA-N 0 0 374.362 5.041 1 0 FKAFRN CN(C)C(=O)O[C@H](c1cccc2ccccc21)c1cnccc1C(F)(F)F ZINC000103198758 222324286 /nfs/dbraw/zinc/32/42/86/222324286.db2.gz INABRMVVKWVYMD-GOSISDBHSA-N 0 0 374.362 5.041 1 0 FKAFRN CCOC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC000103201265 222324948 /nfs/dbraw/zinc/32/49/48/222324948.db2.gz RSTCPDRTCVQCJW-UHFFFAOYSA-N 0 0 361.228 5.023 1 0 FKAFRN Cc1cc(C2=NN[C@H](c3cc4cccc(C)c4nc3Cl)C2)c(C)s1 ZINC000103205149 222325341 /nfs/dbraw/zinc/32/53/41/222325341.db2.gz WXXHNOOHMOGPNY-KRWDZBQOSA-N 0 0 355.894 5.314 1 0 FKAFRN Cc1cc(C2=NN[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c(C)s1 ZINC000103205152 209247845 /nfs/dbraw/zinc/24/78/45/209247845.db2.gz WXXHNOOHMOGPNY-QGZVFWFLSA-N 0 0 355.894 5.314 1 0 FKAFRN CCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000103208839 209248177 /nfs/dbraw/zinc/24/81/77/209248177.db2.gz FQCPDANIUNDLLQ-UHFFFAOYSA-N 0 0 366.679 5.982 1 0 FKAFRN Cc1cccc2cc([C@@H]3CC(c4ccc(Cl)s4)=NN3)c(Cl)nc12 ZINC000103212117 209247979 /nfs/dbraw/zinc/24/79/79/209247979.db2.gz YWIQFTKKPWKYBJ-LBPRGKRZSA-N 0 0 362.285 5.350 1 0 FKAFRN Cc1cccc2cc([C@H]3CC(c4ccc(Cl)s4)=NN3)c(Cl)nc12 ZINC000103212121 205988893 /nfs/dbraw/zinc/98/88/93/205988893.db2.gz YWIQFTKKPWKYBJ-GFCCVEGCSA-N 0 0 362.285 5.350 1 0 FKAFRN Cc1cc(C2=NN[C@H](c3cc4ccc(C)cc4nc3Cl)C2)c(C)s1 ZINC000103212260 209248101 /nfs/dbraw/zinc/24/81/01/209248101.db2.gz JXJFRSBQKIYLLC-SFHVURJKSA-N 0 0 355.894 5.314 1 0 FKAFRN CO[C@@]1(c2ccc(F)cc2)C=CC(C2CCCCC2)(C2CCCCC2)OC1 ZINC000103215729 205987985 /nfs/dbraw/zinc/98/79/85/205987985.db2.gz WVBYAKBIQIYTJT-QHCPKHFHSA-N 0 0 372.524 6.153 1 0 FKAFRN O=C(Nc1nc2ccccc2s1)Nc1ccc(Oc2ccccc2)cc1 ZINC000103219798 222326181 /nfs/dbraw/zinc/32/61/81/222326181.db2.gz QIOGENTZQIZTLO-UHFFFAOYSA-N 0 0 361.426 5.733 1 0 FKAFRN Cc1ccc(C(=O)c2c(N)sc(Br)c2CC(C)(C)C)cc1 ZINC000103226696 222325881 /nfs/dbraw/zinc/32/58/81/222325881.db2.gz UIGMNPUUVREBQR-UHFFFAOYSA-N 0 0 366.324 5.221 1 0 FKAFRN Cc1ccc(C(=O)c2c(N)sc(-c3ccccc3)c2CC(C)(C)C)cc1 ZINC000103228502 222326093 /nfs/dbraw/zinc/32/60/93/222326093.db2.gz QAQQDPPBZKOTQC-UHFFFAOYSA-N 0 0 363.526 6.125 1 0 FKAFRN CC(C)(C)Cc1c(-c2ccco2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103228541 205988997 /nfs/dbraw/zinc/98/89/97/205988997.db2.gz XRXZAXXGNBFOQV-UHFFFAOYSA-N 0 0 373.905 6.063 1 0 FKAFRN CC(C)(C)Cc1c(-c2ccoc2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103228545 209249195 /nfs/dbraw/zinc/24/91/95/209249195.db2.gz WVHUNTGERNLVHZ-UHFFFAOYSA-N 0 0 373.905 6.063 1 0 FKAFRN Cc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 ZINC000103229177 205988984 /nfs/dbraw/zinc/98/89/84/205988984.db2.gz LMQWJIBIPLWKLJ-UHFFFAOYSA-N 0 0 352.356 6.020 1 0 FKAFRN Cc1ccc(N(C)c2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 ZINC000103229180 222326922 /nfs/dbraw/zinc/32/69/22/222326922.db2.gz PUCWJRMMCKBHHT-UHFFFAOYSA-N 0 0 366.383 6.044 1 0 FKAFRN Cc1cccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)c1 ZINC000103229182 209249157 /nfs/dbraw/zinc/24/91/57/209249157.db2.gz GOXIVRYHYOHQOB-UHFFFAOYSA-N 0 0 352.356 6.020 1 0 FKAFRN Cc1ccccc1Nc1nc(-c2cc(C(F)(F)F)ccc2F)cs1 ZINC000103229184 222326684 /nfs/dbraw/zinc/32/66/84/222326684.db2.gz TWUYMQVATWPNKB-UHFFFAOYSA-N 0 0 352.356 6.020 1 0 FKAFRN Fc1ccc(C(F)(F)F)cc1-c1csc(Nc2cccc(Cl)c2)n1 ZINC000103229190 209249037 /nfs/dbraw/zinc/24/90/37/209249037.db2.gz OMQWMPPBPJBXDG-UHFFFAOYSA-N 0 0 372.774 6.365 1 0 FKAFRN Fc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1 ZINC000103229208 205988690 /nfs/dbraw/zinc/98/86/90/205988690.db2.gz ZZNKPLATXYGORX-UHFFFAOYSA-N 0 0 356.319 5.851 1 0 FKAFRN Cc1ccc(Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)c(C)c1 ZINC000103229211 222325777 /nfs/dbraw/zinc/32/57/77/222325777.db2.gz RXAWEGNMANCOAH-UHFFFAOYSA-N 0 0 366.383 6.328 1 0 FKAFRN Cc1ccc(-c2nn(CNc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 ZINC000103230758 209249123 /nfs/dbraw/zinc/24/91/23/209249123.db2.gz WLSNJTCWKPJOJL-UHFFFAOYSA-N 0 0 366.273 5.557 1 0 FKAFRN S=c1oc(-c2ccc(Cl)cc2)nn1CNc1ccccc1Cl ZINC000103230771 222326415 /nfs/dbraw/zinc/32/64/15/222326415.db2.gz YIDFHKJYIVADMR-UHFFFAOYSA-N 0 0 352.246 5.249 1 0 FKAFRN O=C1c2c(ccc3ccccc32)OC[C@H]1c1ccc(Oc2ccccc2)cc1 ZINC000103231159 209249841 /nfs/dbraw/zinc/24/98/41/209249841.db2.gz MVCYWOXPHRRABH-QFIPXVFZSA-N 0 0 366.416 5.991 1 0 FKAFRN O=C1c2c(ccc3ccccc32)OC[C@@H]1c1ccc(Oc2ccccc2)cc1 ZINC000103231161 222326222 /nfs/dbraw/zinc/32/62/22/222326222.db2.gz MVCYWOXPHRRABH-JOCHJYFZSA-N 0 0 366.416 5.991 1 0 FKAFRN COc1ccc(CCNC(=O)N2c3ccccc3C=Cc3ccccc32)cc1 ZINC000103231525 209249617 /nfs/dbraw/zinc/24/96/17/209249617.db2.gz ZFQCEMBADSQEEZ-UHFFFAOYSA-N 0 0 370.452 5.269 1 0 FKAFRN CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1/C=C/c1ccccc1 ZINC000103232662 209249226 /nfs/dbraw/zinc/24/92/26/209249226.db2.gz NDQDYVIZPYNOHY-UACNQURRSA-N 0 0 370.448 5.866 1 0 FKAFRN CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1/C=C/c1ccccc1 ZINC000103232664 222326099 /nfs/dbraw/zinc/32/60/99/222326099.db2.gz NDQDYVIZPYNOHY-AXDNMFEOSA-N 0 0 370.448 5.866 1 0 FKAFRN COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccc(Cl)cc1 ZINC000103232673 209249574 /nfs/dbraw/zinc/24/95/74/209249574.db2.gz BBKFPFLYSQSXTB-FQEVSTJZSA-N 0 0 364.828 5.465 1 0 FKAFRN COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccc(Cl)cc1 ZINC000103232676 209249750 /nfs/dbraw/zinc/24/97/50/209249750.db2.gz BBKFPFLYSQSXTB-HXUWFJFHSA-N 0 0 364.828 5.465 1 0 FKAFRN CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1cccs1 ZINC000103232736 222326546 /nfs/dbraw/zinc/32/65/46/222326546.db2.gz VCGXVFYPEZBJLF-HXUWFJFHSA-N 0 0 350.439 5.263 1 0 FKAFRN CCOC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1cccs1 ZINC000103232738 209249920 /nfs/dbraw/zinc/24/99/20/209249920.db2.gz VCGXVFYPEZBJLF-FQEVSTJZSA-N 0 0 350.439 5.263 1 0 FKAFRN COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1sccc1C ZINC000103232746 222326899 /nfs/dbraw/zinc/32/68/99/222326899.db2.gz IBJZXKGHISDDBQ-IBGZPJMESA-N 0 0 350.439 5.181 1 0 FKAFRN COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1sccc1C ZINC000103232748 222326294 /nfs/dbraw/zinc/32/62/94/222326294.db2.gz IBJZXKGHISDDBQ-LJQANCHMSA-N 0 0 350.439 5.181 1 0 FKAFRN O=C(CC1CCCCC1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000103235259 222327829 /nfs/dbraw/zinc/32/78/29/222327829.db2.gz ZIBYLGUEKDZYBR-UHFFFAOYSA-N 0 0 369.317 6.026 1 0 FKAFRN O=C(Cc1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000103235261 205989388 /nfs/dbraw/zinc/98/93/88/205989388.db2.gz LVZNSHQMWFYVMU-UHFFFAOYSA-N 0 0 363.269 5.298 1 0 FKAFRN Cc1ccc([C@H](CC(=O)c2ccccc2)[C@@H]2c3ccccc3NC2=O)cc1 ZINC000103235994 209249426 /nfs/dbraw/zinc/24/94/26/209249426.db2.gz AMEDOEDXLQMXOG-REWPJTCUSA-N 0 0 355.437 5.088 1 0 FKAFRN Cc1ccc([C@@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 ZINC000103237892 222327678 /nfs/dbraw/zinc/32/76/78/222327678.db2.gz LOKXJVUUPQQRAC-MRXNPFEDSA-N 0 0 353.425 5.762 1 0 FKAFRN Cc1ccc([C@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 ZINC000103237895 209249304 /nfs/dbraw/zinc/24/93/04/209249304.db2.gz LOKXJVUUPQQRAC-INIZCTEOSA-N 0 0 353.425 5.762 1 0 FKAFRN COc1ccc([C@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 ZINC000103237899 209249882 /nfs/dbraw/zinc/24/98/82/209249882.db2.gz YCEJIKGLLGZDKD-HNNXBMFYSA-N 0 0 369.424 5.462 1 0 FKAFRN COc1ccc([C@@H](C)n2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 ZINC000103237902 222328430 /nfs/dbraw/zinc/32/84/30/222328430.db2.gz YCEJIKGLLGZDKD-OAHLLOKOSA-N 0 0 369.424 5.462 1 0 FKAFRN Clc1ccc2nc(-c3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1 ZINC000103240798 209249943 /nfs/dbraw/zinc/24/99/43/209249943.db2.gz LTUZPODERZUPRD-UHFFFAOYSA-N 0 0 354.840 6.704 1 0 in-vitro FKAFRN Cc1cccc(C)c1NC(=O)c1ccc(Nc2ncc(C)c(C3CC3)n2)cc1 ZINC000103241181 209250045 /nfs/dbraw/zinc/25/00/45/209250045.db2.gz GXQPSIZLNSOJMZ-UHFFFAOYSA-N 0 0 372.472 5.275 1 0 FKAFRN Cc1[nH]c2ccccc2c1[C@@H]([NH2+]Cc1ccccc1)c1ccccc1Cl ZINC000103244878 222328372 /nfs/dbraw/zinc/32/83/72/222328372.db2.gz FCLRKOQXOJBTEP-QHCPKHFHSA-N 0 0 360.888 6.009 1 0 FKAFRN Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(Cl)cc1)c1nccs1 ZINC000103244915 222327235 /nfs/dbraw/zinc/32/72/35/222327235.db2.gz CKYVDHZHFCZJBC-SFHVURJKSA-N 0 0 353.878 5.788 1 0 FKAFRN Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(Cl)cc1)c1nccs1 ZINC000103244917 209248942 /nfs/dbraw/zinc/24/89/42/209248942.db2.gz CKYVDHZHFCZJBC-GOSISDBHSA-N 0 0 353.878 5.788 1 0 FKAFRN Cc1[nH]c2cc(C)ccc2c1[C@H](Nc1cccnc1)c1ccccc1Cl ZINC000103244936 209249835 /nfs/dbraw/zinc/24/98/35/209249835.db2.gz 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ZINC000103247443 222328169 /nfs/dbraw/zinc/32/81/69/222328169.db2.gz VQEVVFAFQHQQFY-VHQJYJOSSA-N 0 0 351.465 5.742 1 0 FKAFRN C[C@]1(O)C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247468 222328031 /nfs/dbraw/zinc/32/80/31/222328031.db2.gz CQJGCQVQOOMFHY-VHQJYJOSSA-N 0 0 351.465 5.478 1 0 FKAFRN C[C@@]1(O)C[C@@H]2CCCC[C@@H]2[C@H]1/C=C/c1ccc(-c2cccc(F)c2)cn1 ZINC000103247470 209249895 /nfs/dbraw/zinc/24/98/95/209249895.db2.gz CQJGCQVQOOMFHY-RWDCKZERSA-N 0 0 351.465 5.478 1 0 FKAFRN c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1-c1ccccc1 ZINC000103247856 222327649 /nfs/dbraw/zinc/32/76/49/222327649.db2.gz CLRZKWDDCHPPFI-UHFFFAOYSA-N 0 0 351.409 5.153 1 0 FKAFRN c1cn(-c2ccccc2)c2cc(OCc3ccc4ccccc4n3)ccc12 ZINC000103247858 222327852 /nfs/dbraw/zinc/32/78/52/222327852.db2.gz PHVKKWYEOVNTSD-UHFFFAOYSA-N 0 0 350.421 5.758 1 0 FKAFRN c1nn(-c2ccccc2)c2cc(OCc3ccc4ccccc4n3)ccc12 ZINC000103247860 222327387 /nfs/dbraw/zinc/32/73/87/222327387.db2.gz DTWOPPZRWVVFEF-UHFFFAOYSA-N 0 0 351.409 5.153 1 0 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ZINC000103289511 222331331 /nfs/dbraw/zinc/33/13/31/222331331.db2.gz CIWXARNBSXBHLE-UHFFFAOYSA-N 0 0 362.816 5.271 1 0 FKAFRN Nc1nc(=S)[nH]c2c1[C@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103289558 209251888 /nfs/dbraw/zinc/25/18/88/209251888.db2.gz PTRHMMXJGVYASQ-MRXNPFEDSA-N 0 0 357.438 5.160 1 0 FKAFRN Nc1nc(=S)[nH]c2c1[C@@H](c1ccccc1)c1ccc3ccccc3c1O2 ZINC000103289560 222331960 /nfs/dbraw/zinc/33/19/60/222331960.db2.gz PTRHMMXJGVYASQ-INIZCTEOSA-N 0 0 357.438 5.160 1 0 FKAFRN O=C(Nc1nc2ccc(-c3ccccn3)cc2s1)[C@H]1C[C@@H]1c1ccccc1 ZINC000103290037 209251683 /nfs/dbraw/zinc/25/16/83/209251683.db2.gz SZGHEGNWCACYLN-SJORKVTESA-N 0 0 371.465 5.101 1 0 FKAFRN Cc1cc(-c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)ccn1 ZINC000103290219 222331726 /nfs/dbraw/zinc/33/17/26/222331726.db2.gz LGBXCUAQHIUOHM-UHFFFAOYSA-N 0 0 357.240 5.616 1 0 FKAFRN O=S(=O)(Nc1ccc(-c2ccco2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000103290238 209251842 /nfs/dbraw/zinc/25/18/42/209251842.db2.gz OGQIHASBDUUYTP-UHFFFAOYSA-N 0 0 368.241 5.054 1 0 FKAFRN S=c1[nH]c(=S)c2c([nH]1)Oc1c3ccccc3ccc1[C@H]2c1ccccc1 ZINC000103290835 209252594 /nfs/dbraw/zinc/25/25/94/209252594.db2.gz XNVMBVJNYWEIFC-MRXNPFEDSA-N 0 0 374.490 6.241 1 0 FKAFRN S=c1[nH]c(=S)c2c([nH]1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 ZINC000103290839 209252471 /nfs/dbraw/zinc/25/24/71/209252471.db2.gz JTWKDJAZKVUSDU-MRXNPFEDSA-N 0 0 374.490 6.241 1 0 FKAFRN COc1ccc(CNc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103291065 222332538 /nfs/dbraw/zinc/33/25/38/222332538.db2.gz AXHNKGQBTSFRJQ-UHFFFAOYSA-N 0 0 373.378 5.092 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCc2ccccc2F)nn1 ZINC000103291067 222331597 /nfs/dbraw/zinc/33/15/97/222331597.db2.gz CZHRXSRJTRCLQJ-UHFFFAOYSA-N 0 0 361.342 5.222 1 0 FKAFRN COc1ccc2c(c1Cl)CCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103291464 222331554 /nfs/dbraw/zinc/33/15/54/222331554.db2.gz WPXDKOKSLPCVOY-UHFFFAOYSA-N 0 0 374.864 5.142 1 0 FKAFRN CCCCCCOc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl ZINC000103291766 209252602 /nfs/dbraw/zinc/25/26/02/209252602.db2.gz ZWMDTIIXIWGODC-UHFFFAOYSA-N 0 0 369.820 5.215 1 0 FKAFRN Clc1ccc(C2=NO[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000103291889 222332427 /nfs/dbraw/zinc/33/24/27/222332427.db2.gz VBGJUHJPZFPSSP-QFIPXVFZSA-N 0 0 363.844 5.785 1 0 FKAFRN COc1ccccc1Nc1nnc(C)cc1-c1cccc(C(F)(F)F)c1 ZINC000103292449 209252410 /nfs/dbraw/zinc/25/24/10/209252410.db2.gz NIIRKOFYJLPGRE-UHFFFAOYSA-N 0 0 359.351 5.223 1 0 FKAFRN COc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103292452 209251927 /nfs/dbraw/zinc/25/19/27/209251927.db2.gz CSRDRRIAJBLMPS-UHFFFAOYSA-N 0 0 359.351 5.223 1 0 FKAFRN Cc1ccc(CNc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000103292516 222332253 /nfs/dbraw/zinc/33/22/53/222332253.db2.gz ASBVYMUMYMCDQC-UHFFFAOYSA-N 0 0 357.379 5.391 1 0 FKAFRN C[C@H](NC(=O)[C@]1(C2CCCC2)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103293191 222332389 /nfs/dbraw/zinc/33/23/89/222332389.db2.gz FCBPAVBVTODMLA-MEDUHNTESA-N 0 0 360.712 5.271 1 0 FKAFRN C[C@H](NC(=O)[C@@]1(C2CCCC2)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103293195 209251629 /nfs/dbraw/zinc/25/16/29/209251629.db2.gz FCBPAVBVTODMLA-ZBEGNZNMSA-N 0 0 360.712 5.271 1 0 FKAFRN C[C@H](NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103293198 205990984 /nfs/dbraw/zinc/99/09/84/205990984.db2.gz NVXNDEOFVXDGNT-YVEFUNNKSA-N 0 0 368.691 5.033 1 0 FKAFRN C[C@@H](NC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103293200 222332206 /nfs/dbraw/zinc/33/22/06/222332206.db2.gz NVXNDEOFVXDGNT-SJKOYZFVSA-N 0 0 368.691 5.033 1 0 FKAFRN C[C@H](NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103293202 222332248 /nfs/dbraw/zinc/33/22/48/222332248.db2.gz NVXNDEOFVXDGNT-SJCJKPOMSA-N 0 0 368.691 5.033 1 0 FKAFRN C[C@@H](NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl)c1ccc(Cl)cc1 ZINC000103293204 222331537 /nfs/dbraw/zinc/33/15/37/222331537.db2.gz NVXNDEOFVXDGNT-PXAZEXFGSA-N 0 0 368.691 5.033 1 0 FKAFRN O=C(Nc1nc2c(ccc3ccccc23)s1)Nc1ccccc1Cl ZINC000103293626 222332357 /nfs/dbraw/zinc/33/23/57/222332357.db2.gz MLFIEKGCPKQYRK-UHFFFAOYSA-N 0 0 353.834 5.747 1 0 FKAFRN Fc1ccccc1NC(=S)Nc1nc2c(ccc3ccccc23)s1 ZINC000103293702 222332229 /nfs/dbraw/zinc/33/22/29/222332229.db2.gz CRFBEZYHUISVDI-UHFFFAOYSA-N 0 0 353.447 5.398 1 0 FKAFRN Fc1ccc(NC(=S)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000103293704 222332420 /nfs/dbraw/zinc/33/24/20/222332420.db2.gz HDFZLFPVAQHBPU-UHFFFAOYSA-N 0 0 353.447 5.398 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(N[C@@H](C)c2ccccc2)nn1 ZINC000103293806 209252553 /nfs/dbraw/zinc/25/25/53/209252553.db2.gz XZHMWVJKPWPUEI-AWEZNQCLSA-N 0 0 357.379 5.644 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(N[C@H](C)c2ccccc2)nn1 ZINC000103293808 209252465 /nfs/dbraw/zinc/25/24/65/209252465.db2.gz XZHMWVJKPWPUEI-CQSZACIVSA-N 0 0 357.379 5.644 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCCc2ccccc2)nn1 ZINC000103293822 209252447 /nfs/dbraw/zinc/25/24/47/209252447.db2.gz GXKKLODRJLLQER-UHFFFAOYSA-N 0 0 357.379 5.125 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2cccc(Cl)c2)nn1 ZINC000103293849 222332718 /nfs/dbraw/zinc/33/27/18/222332718.db2.gz LLJMFMPAXPQUDV-UHFFFAOYSA-N 0 0 363.770 5.868 1 0 FKAFRN Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(Cl)cc2)nn1 ZINC000103293850 209251867 /nfs/dbraw/zinc/25/18/67/209251867.db2.gz LFSQFVUXEVMSSI-UHFFFAOYSA-N 0 0 363.770 5.868 1 0 FKAFRN Clc1ccc(-c2cc(-c3nnc(Nc4ccccc4)s3)no2)cc1 ZINC000103293955 222332300 /nfs/dbraw/zinc/33/23/00/222332300.db2.gz WNSRHTHEQQNZFN-UHFFFAOYSA-N 0 0 354.822 5.257 1 0 FKAFRN O=C(Nc1nc2ccc(-c3ccncc3)cc2s1)[C@H]1C[C@@H]1c1ccccc1 ZINC000103294172 222332071 /nfs/dbraw/zinc/33/20/71/222332071.db2.gz WCIQHQDDKIZJND-MSOLQXFVSA-N 0 0 371.465 5.101 1 0 FKAFRN O=C(Nc1nc2ccc(-c3cccnc3)cc2s1)[C@H]1C[C@@H]1c1ccccc1 ZINC000103294174 222332117 /nfs/dbraw/zinc/33/21/17/222332117.db2.gz RNUSCQGPUILDPO-MSOLQXFVSA-N 0 0 371.465 5.101 1 0 FKAFRN CN(Cc1cc2ccccc2nc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000103294824 205993357 /nfs/dbraw/zinc/99/33/57/205993357.db2.gz XEMFTFBKBVSAMY-UHFFFAOYSA-N 0 0 351.664 5.831 1 0 FKAFRN S=C(Nc1nc2c(ccc3ccccc23)s1)Nc1ccccc1Cl ZINC000103294834 222333231 /nfs/dbraw/zinc/33/32/31/222333231.db2.gz PZCQGGLVRSEXTH-UHFFFAOYSA-N 0 0 369.902 5.912 1 0 FKAFRN S=C(Nc1nc2c(ccc3ccccc23)s1)Nc1ccc(Cl)cc1 ZINC000103294839 205992947 /nfs/dbraw/zinc/99/29/47/205992947.db2.gz PJZPHJLYSPGRSQ-UHFFFAOYSA-N 0 0 369.902 5.912 1 0 FKAFRN Clc1ncccc1Oc1cc2c(c3ncccc13)Oc1ncccc1O2 ZINC000103295136 209252426 /nfs/dbraw/zinc/25/24/26/209252426.db2.gz ZLKIVCGIMSKCAP-UHFFFAOYSA-N 0 0 363.760 5.369 1 0 FKAFRN Clc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c32)c1 ZINC000103297331 222333090 /nfs/dbraw/zinc/33/30/90/222333090.db2.gz HRBOFBDIESILOZ-UHFFFAOYSA-N 0 0 372.653 5.876 1 0 FKAFRN COP(=O)(OC)[C@H](Nc1ccccc1)c1ccccc1Br ZINC000103299989 222333946 /nfs/dbraw/zinc/33/39/46/222333946.db2.gz AFRBZVSLFAUYTN-HNNXBMFYSA-N 0 0 370.183 5.046 1 0 FKAFRN COP(=O)(OC)[C@@H](Nc1ccccc1)c1ccccc1Br ZINC000103299991 222333663 /nfs/dbraw/zinc/33/36/63/222333663.db2.gz AFRBZVSLFAUYTN-OAHLLOKOSA-N 0 0 370.183 5.046 1 0 FKAFRN CC(C)c1ccccc1Nc1nccc(-c2ccc(Br)cc2)n1 ZINC000103300960 209252685 /nfs/dbraw/zinc/25/26/85/209252685.db2.gz MOWJBNHQTXCUGI-UHFFFAOYSA-N 0 0 368.278 5.773 1 0 FKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000105027819 209264041 /nfs/dbraw/zinc/26/40/41/209264041.db2.gz QBEFIFWEOSUTKV-RCCFBDPRSA-N 0 0 370.577 7.457 1 0 FKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000105027822 222364220 /nfs/dbraw/zinc/36/42/20/222364220.db2.gz QBEFIFWEOSUTKV-KSZLIROESA-N 0 0 370.577 7.457 1 0 FKAFRN Cc1cc(C[C@@H](C)[C@H]2CC[C@@H](C)[C@@H](c3ccc(O)c(C)c3)C2)ccc1O ZINC000105084829 206002535 /nfs/dbraw/zinc/00/25/35/206002535.db2.gz VLPXHDDRKFSEFV-ZDRLFVKYSA-N 0 0 352.518 6.113 1 0 FKAFRN CC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118914166 291086560 /nfs/dbraw/zinc/08/65/60/291086560.db2.gz CDRZQEYAKWRWRP-KNGVNFKHSA-N 0 0 356.550 6.232 1 0 biogenic,in-vitro FKAFRN CCCCCC[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920088 222513284 /nfs/dbraw/zinc/51/32/84/222513284.db2.gz SUFKNLCDOHRDMW-ZMTPGRRHSA-N 0 0 374.609 6.300 1 0 FKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118920130 206103055 /nfs/dbraw/zinc/10/30/55/206103055.db2.gz FBCINCBIRWVDGR-KUJHCPCUSA-N 0 0 366.545 5.486 1 0 FKAFRN CCCCCCO[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920134 206104093 /nfs/dbraw/zinc/10/40/93/206104093.db2.gz WZUFCJOKVUYXDX-XMHBYXNSSA-N 0 0 374.609 6.564 1 0 FKAFRN Cc1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 ZINC000118922709 206104149 /nfs/dbraw/zinc/10/41/49/206104149.db2.gz MCSQKDICBVZIBS-HKZQYKGFSA-N 0 0 355.522 5.390 1 0 FKAFRN Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 ZINC000118922710 206103904 /nfs/dbraw/zinc/10/39/04/206103904.db2.gz MCSQKDICBVZIBS-MTMZYOSNSA-N 0 0 355.522 5.390 1 0 FKAFRN Cc1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)co1 ZINC000118922712 209349142 /nfs/dbraw/zinc/34/91/42/209349142.db2.gz MCSQKDICBVZIBS-QREMAQNESA-N 0 0 355.522 5.390 1 0 FKAFRN CC(C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936789 571844815 /nfs/dbraw/zinc/84/48/15/571844815.db2.gz BKWBRNDZAJHCMT-KOQQBXJFSA-N 0 0 370.621 6.775 1 0 endogenous,in-man FKAFRN CC(C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936790 571844776 /nfs/dbraw/zinc/84/47/76/571844776.db2.gz BKWBRNDZAJHCMT-AANNOKFNSA-N 0 0 370.621 6.775 1 0 endogenous,in-man FKAFRN CC(C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936791 571844774 /nfs/dbraw/zinc/84/47/74/571844774.db2.gz BKWBRNDZAJHCMT-HOLRIKFESA-N 0 0 370.621 6.775 1 0 endogenous,in-man FKAFRN CC(C)/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118936792 571844741 /nfs/dbraw/zinc/84/47/41/571844741.db2.gz BKWBRNDZAJHCMT-FNSJAWQJSA-N 0 0 370.621 6.775 1 0 endogenous,in-man FKAFRN CCC(=O)C(CC/C=C/CCc1ccc(OC(F)(F)F)cc1)C(=O)CC ZINC000137666023 222546119 /nfs/dbraw/zinc/54/61/19/222546119.db2.gz XXNBOSLAQNKODZ-AATRIKPKSA-N 0 0 370.411 5.429 1 0 FKAFRN COc1ccc(Nc2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)cc1 ZINC000140452555 206135768 /nfs/dbraw/zinc/13/57/68/206135768.db2.gz WIZPMKGFLYYGKW-UHFFFAOYSA-N 0 0 369.424 5.739 1 0 FKAFRN CN(c1nc2cc(-c3ccc4c(ccn4C)c3)ccc2o1)c1ccccc1 ZINC000140569048 206136100 /nfs/dbraw/zinc/13/61/00/206136100.db2.gz MVYARKAUCYWWLH-UHFFFAOYSA-N 0 0 353.425 5.754 1 0 FKAFRN CC(C)=CCC[C@H](C)[C@H]1[C@@H]2C/C(C)=C\CC/C(=C/OC(C)=O)[C@H]1C(=O)O2 ZINC000141547394 209378997 /nfs/dbraw/zinc/37/89/97/209378997.db2.gz DFKHRBLZEJCJLU-CBYSXIAQSA-N 0 0 360.494 5.104 1 0 FKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 ZINC000144738848 209382321 /nfs/dbraw/zinc/38/23/21/209382321.db2.gz YIIBQCYDEMJLIF-JKSUJKDBSA-N 0 0 374.590 6.774 1 0 FKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 ZINC000144739065 206139814 /nfs/dbraw/zinc/13/98/14/206139814.db2.gz YIIBQCYDEMJLIF-CVEARBPZSA-N 0 0 374.590 6.774 1 0 FKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCSC1 ZINC000144739281 206140347 /nfs/dbraw/zinc/14/03/47/206140347.db2.gz YIIBQCYDEMJLIF-HOTGVXAUSA-N 0 0 374.590 6.774 1 0 FKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CS1 ZINC000144995201 209381584 /nfs/dbraw/zinc/38/15/84/209381584.db2.gz YHLYCRRAQSELEI-HRCADAONSA-N 0 0 374.590 6.977 1 0 FKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](C)CS1 ZINC000144995582 209381668 /nfs/dbraw/zinc/38/16/68/209381668.db2.gz YHLYCRRAQSELEI-JYJNAYRXSA-N 0 0 374.590 6.977 1 0 FKAFRN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c3c(c(=O)oc2c1)CCC3 ZINC000147656256 206141705 /nfs/dbraw/zinc/14/17/05/206141705.db2.gz VQKMAQSUYKTDSL-AWEZNQCLSA-N 0 0 366.432 5.253 1 0 FKAFRN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000147711853 209381942 /nfs/dbraw/zinc/38/19/42/209381942.db2.gz WISKNMYMNRQYOL-HZPDHXFCSA-N 0 0 353.506 6.402 1 0 FKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000147712070 206141745 /nfs/dbraw/zinc/14/17/45/206141745.db2.gz WISKNMYMNRQYOL-JKSUJKDBSA-N 0 0 353.506 6.402 1 0 FKAFRN Cn1ccc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21 ZINC000148880881 222548391 /nfs/dbraw/zinc/54/83/91/222548391.db2.gz JSDIANPKQMJBEW-UHFFFAOYSA-N 0 0 365.436 5.507 1 0 FKAFRN CCOC(=O)NCCSC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000149199930 222548777 /nfs/dbraw/zinc/54/87/77/222548777.db2.gz ABBMATXNEBQOKJ-NWLVNBMCSA-N 0 0 353.572 5.885 1 0 FKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSCCO ZINC000149200094 206141985 /nfs/dbraw/zinc/14/19/85/206141985.db2.gz FHPOZQMLTNNPRF-FLPKSHQQSA-N 0 0 350.612 6.858 1 0 FKAFRN COC(=O)[C@]12CCCC(C)(C)[C@H]1CCc1cc(C(C)C)c(OC)c(OC)c12 ZINC000166033377 560044254 /nfs/dbraw/zinc/04/42/54/560044254.db2.gz WPHRDKKVZLUHBK-UZUQRXQVSA-N 0 0 374.521 5.011 1 0 biogenic,in-vitro FKAFRN CC(=O)OC(C)(C)[C@H]1CC/C(C)=C\CC/C(C)=C\CCC2=C[C@@H]1OC2=O ZINC000169290355 206249135 /nfs/dbraw/zinc/24/91/35/206249135.db2.gz JRHSHBMAWLBQTD-GUVYCFEUSA-N 0 0 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CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)N(CC)CC ZINC000169301044 206249385 /nfs/dbraw/zinc/24/93/85/206249385.db2.gz FJSSHRJDGBNCDH-CVLOBQTISA-N 0 0 359.598 7.001 1 0 FKAFRN C/C1=C\CC/C(C)=C\CC(C)(C)C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)C1 ZINC000169304593 222559021 /nfs/dbraw/zinc/55/90/21/222559021.db2.gz SPBVSJHMHZCQRT-GLKYTHBFSA-N 0 0 368.517 6.200 1 0 FKAFRN COc1ccc2c(c1)CC[C@H]1[C@H]3C=C[C@@](O)(c4ccccc4)[C@@]3(C)CC[C@@H]21 ZINC000169308080 209516435 /nfs/dbraw/zinc/51/64/35/209516435.db2.gz PRCGTYKZJAVITA-VCDBXAJLSA-N 0 0 360.497 5.215 1 0 FKAFRN O=C(Cc1ccccc1Cl)Nc1nc2ccc(C(F)(F)F)cc2s1 ZINC000169309122 206248690 /nfs/dbraw/zinc/24/86/90/206248690.db2.gz HXHBWAKMASIKBO-UHFFFAOYSA-N 0 0 370.783 5.150 1 0 FKAFRN CCCN(CC1CC1)c1ncnc(Nc2c(C)cc(C)cc2C)c1SC ZINC000169310335 206249001 /nfs/dbraw/zinc/24/90/01/206249001.db2.gz CRFRLSQMEUWONY-UHFFFAOYSA-N 0 0 370.566 5.494 1 0 FKAFRN CCCCN(CC)c1ncnc(Nc2c(C)cc(C)cc2C)c1SC ZINC000169310338 206249717 /nfs/dbraw/zinc/24/97/17/206249717.db2.gz 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C(=C/c1cncnc1C1=CC=C(C2=CC=CCS2)SC1)\c1ccccc1 ZINC000169327632 222562565 /nfs/dbraw/zinc/56/25/65/222562565.db2.gz UOQLMEKUAIGZSO-MDZDMXLPSA-N 0 0 374.534 5.848 1 0 FKAFRN Cc1cc2c(cc(C(=O)Nc3cnc(C)cn3)cc2Oc2ccc(C)cc2)o1 ZINC000169329195 222562634 /nfs/dbraw/zinc/56/26/34/222562634.db2.gz AUFVGKLMXAAARH-UHFFFAOYSA-N 0 0 373.412 5.193 1 0 FKAFRN CC[C@H](O)c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC ZINC000169329370 206252492 /nfs/dbraw/zinc/25/24/92/206252492.db2.gz TUIQKYUDKDMHMZ-AWEZNQCLSA-N 0 0 371.658 5.347 1 0 FKAFRN C[C@@]12C=C(/C=C\C=C\c3ccco3)[C@@](C)(C1)[C@@H](/C=C\c1ccco1)CC2=O ZINC000169332500 209519825 /nfs/dbraw/zinc/51/98/25/209519825.db2.gz UQMOFGNDJAVHLT-XIWXJIOBSA-N 0 0 360.453 6.087 1 0 FKAFRN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)S1 ZINC000169332970 209519325 /nfs/dbraw/zinc/51/93/25/209519325.db2.gz HDPKJWICBWVRGV-ARFHVFGLSA-N 0 0 374.590 7.120 1 0 FKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)S1 ZINC000169332973 222562463 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O=C1N(c2ccccc2C(F)(F)F)O[C@]1(c1ccccc1)C1CCCC1 ZINC000036387693 205013099 /nfs/dbraw/zinc/01/30/99/205013099.db2.gz QJMSPYGZEOTPPP-LJQANCHMSA-N 0 0 361.363 5.069 3 0 FKAFRN CC(C)[C@@]1(c2ccc(Cl)cc2)ON(c2ccccc2C(F)(F)F)C1=O ZINC000036387710 205015081 /nfs/dbraw/zinc/01/50/81/205015081.db2.gz ZMJAHLRWNZMKQY-KRWDZBQOSA-N 0 0 369.770 5.189 3 0 FKAFRN CC(C)[C@]1(c2ccc(Cl)cc2)ON(c2ccccc2C(F)(F)F)C1=O ZINC000036387711 205015442 /nfs/dbraw/zinc/01/54/42/205015442.db2.gz ZMJAHLRWNZMKQY-QGZVFWFLSA-N 0 0 369.770 5.189 3 0 FKAFRN CC(C)(C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@@H]12 ZINC000036387886 208162233 /nfs/dbraw/zinc/16/22/33/208162233.db2.gz NEOONGYNIJYGRY-HBCYGQLZSA-N 0 0 373.581 5.273 3 0 FKAFRN CC(C)(C)NC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@H]12 ZINC000036387889 208161058 /nfs/dbraw/zinc/16/10/58/208161058.db2.gz NEOONGYNIJYGRY-LRYNBKOMSA-N 0 0 373.581 5.273 3 0 FKAFRN CCCCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@H]12 ZINC000036387919 208162061 /nfs/dbraw/zinc/16/20/61/208162061.db2.gz PQZWOPSCARSDCV-KEPNZDNYSA-N 0 0 373.581 5.275 3 0 FKAFRN CCCCNC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(CC4=O)CC[C@@H]12 ZINC000036387921 205014259 /nfs/dbraw/zinc/01/42/59/205014259.db2.gz PQZWOPSCARSDCV-QCIYFODSSA-N 0 0 373.581 5.275 3 0 FKAFRN COc1ccccc1-c1sc2ccccc2c1-c1ccc2c(c1)OCCO2 ZINC000036388659 205014668 /nfs/dbraw/zinc/01/46/68/205014668.db2.gz ZKYHIKWGAIOKRZ-UHFFFAOYSA-N 0 0 374.461 6.015 3 0 FKAFRN COc1ccc(-c2c3ccccc3sc2-c2ccccc2OC)cc1C=O ZINC000036388660 205015253 /nfs/dbraw/zinc/01/52/53/205015253.db2.gz LESQTAFRRWTPBU-UHFFFAOYSA-N 0 0 374.461 6.065 3 0 FKAFRN COc1ccc2sc(-c3cccc(OC)c3)c(-c3ccc(O)cc3)c2c1 ZINC000036388679 205014859 /nfs/dbraw/zinc/01/48/59/205014859.db2.gz SXMCYZLUBNHAQI-UHFFFAOYSA-N 0 0 362.450 5.958 3 0 FKAFRN Fc1ccc2cnc(-c3ccccc3)c(-c3ccc(C(F)(F)F)cc3)c2c1 ZINC000036388759 208162656 /nfs/dbraw/zinc/16/26/56/208162656.db2.gz UFHDBKJBFWWCON-UHFFFAOYSA-N 0 0 367.345 6.727 3 0 FKAFRN Fc1ccc2c(cnc(-c3ccccc3)c2-c2cccc(C(F)(F)F)c2)c1 ZINC000036388763 208161936 /nfs/dbraw/zinc/16/19/36/208161936.db2.gz DLKUDWZZWONFFL-UHFFFAOYSA-N 0 0 367.345 6.727 3 0 FKAFRN O=c1oc(C2(O)CCCCC2)cc2ccc(/C=C/c3ccc(F)cc3)cc12 ZINC000036388768 205014826 /nfs/dbraw/zinc/01/48/26/205014826.db2.gz PHIIGMZXHBPWEP-SNAWJCMRSA-N 0 0 364.416 5.254 3 0 FKAFRN Cn1c2ccc(Br)cc2c(-c2cccs2)c1-c1ccsc1 ZINC000036388831 220817218 /nfs/dbraw/zinc/81/72/18/220817218.db2.gz VKZIWUNBVHGINK-UHFFFAOYSA-N 0 0 374.328 6.398 3 0 FKAFRN COc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OC)cc2)cc1 ZINC000036388955 208162617 /nfs/dbraw/zinc/16/26/17/208162617.db2.gz TVKSCNIHILDMGO-UHFFFAOYSA-N 0 0 358.393 5.348 3 0 FKAFRN Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc1 ZINC000059955265 212017946 /nfs/dbraw/zinc/01/79/46/212017946.db2.gz IOKJROFMMRNCJR-SFHVURJKSA-N 0 0 363.288 5.077 3 0 FKAFRN CC(=O)N[C@@H](c1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 ZINC000061895605 221135193 /nfs/dbraw/zinc/13/51/93/221135193.db2.gz LEUHOEQBGCJVTF-OAQYLSRUSA-N 0 0 358.466 5.189 3 0 FKAFRN Fc1ccc(Nc2nc(NCc3cccs3)nc3ccsc32)cc1 ZINC000061895833 221135598 /nfs/dbraw/zinc/13/55/98/221135598.db2.gz XIRLRTFCKVPWKL-UHFFFAOYSA-N 0 0 356.451 5.248 3 0 FKAFRN Clc1ccccc1Nc1nc(NCc2cccs2)nc2ccsc21 ZINC000061895961 212026539 /nfs/dbraw/zinc/02/65/39/212026539.db2.gz MOTNANVOXIPMAA-UHFFFAOYSA-N 0 0 372.906 5.762 3 0 FKAFRN Cc1noc(C)c1-c1ccc(C(=O)Nc2ccc(C(C)C)cc2)c2occc21 ZINC000061896210 221135404 /nfs/dbraw/zinc/13/54/04/221135404.db2.gz VZNMIPKFRONCFB-UHFFFAOYSA-N 0 0 374.440 6.080 3 0 FKAFRN O=C(NCc1ccccc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc21 ZINC000061896222 205287675 /nfs/dbraw/zinc/28/76/75/205287675.db2.gz ZULDHMHHKDMSCU-UHFFFAOYSA-N 0 0 363.363 5.308 3 0 FKAFRN C[C@@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2c1cccc2Cl ZINC000061896661 221135446 /nfs/dbraw/zinc/13/54/46/221135446.db2.gz HKGDGADDOPKUHK-INIZCTEOSA-N 0 0 374.189 5.465 3 0 FKAFRN C[C@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2c1cccc2Cl ZINC000061896665 221136102 /nfs/dbraw/zinc/13/61/02/221136102.db2.gz HKGDGADDOPKUHK-MRXNPFEDSA-N 0 0 374.189 5.465 3 0 FKAFRN Cc1ccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)cc1C ZINC000061897204 221135629 /nfs/dbraw/zinc/13/56/29/221135629.db2.gz KEAUTUBZLBSVFV-SFHVURJKSA-N 0 0 363.404 5.225 3 0 FKAFRN COc1ccc(-c2ccc(C(=O)NC3CCCCC3)c3occc32)c(C)c1 ZINC000061897714 205288283 /nfs/dbraw/zinc/28/82/83/205288283.db2.gz SNHCRORFSCLZAJ-UHFFFAOYSA-N 0 0 363.457 5.479 3 0 FKAFRN COc1ccc(-c2ccc(C(=O)NCc3ccccc3)c3occc32)c(C)c1 ZINC000061898166 205287497 /nfs/dbraw/zinc/28/74/97/205287497.db2.gz RNOSYQNFQIKJLP-UHFFFAOYSA-N 0 0 371.436 5.347 3 0 FKAFRN O[C@H](c1nc(-c2cccc3ccccc32)c[nH]1)c1ccc2ccccc2c1 ZINC000061898345 208600175 /nfs/dbraw/zinc/60/01/75/208600175.db2.gz FSDJBPFBFFXTPZ-QHCPKHFHSA-N 0 0 350.421 5.465 3 0 FKAFRN FC(F)(F)c1cccc(-c2cc3nc(NC4CCCCC4)ccn3n2)c1 ZINC000061902873 212026683 /nfs/dbraw/zinc/02/66/83/212026683.db2.gz JZXSUWSQTKVNHF-UHFFFAOYSA-N 0 0 360.383 5.160 3 0 FKAFRN C[C@](O)(c1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cccc(F)c1 ZINC000061902926 205288017 /nfs/dbraw/zinc/28/80/17/205288017.db2.gz OTNFBPKXXWMHOP-QGZVFWFLSA-N 0 0 367.367 5.224 3 0 FKAFRN C[C@](O)(c1nc(-c2csc3ccccc23)cs1)c1ccc(F)c(F)c1 ZINC000061903073 212026564 /nfs/dbraw/zinc/02/65/64/212026564.db2.gz SXCXGJJTJDPZLI-LJQANCHMSA-N 0 0 373.449 5.559 3 0 FKAFRN C[C@@](O)(c1nc(-c2csc3ccccc23)cs1)c1ccc(F)c(F)c1 ZINC000061903074 212026830 /nfs/dbraw/zinc/02/68/30/212026830.db2.gz SXCXGJJTJDPZLI-IBGZPJMESA-N 0 0 373.449 5.559 3 0 FKAFRN COc1ccc(-c2coc3c2cccc3C(=O)NC2CCCCC2)c(C)c1 ZINC000061903127 212027363 /nfs/dbraw/zinc/02/73/63/212027363.db2.gz VPQWTYKQAYGMEH-UHFFFAOYSA-N 0 0 363.457 5.479 3 0 FKAFRN O[C@H](c1nc(-c2ccc(F)c(Cl)c2)cs1)c1cccc(Cl)c1 ZINC000061903983 205288656 /nfs/dbraw/zinc/28/86/56/205288656.db2.gz OZZHWBQJFYGRFL-HNNXBMFYSA-N 0 0 354.233 5.338 3 0 FKAFRN O[C@@H](c1nc(-c2ccc(F)c(Cl)c2)cs1)c1cccc(Cl)c1 ZINC000061903984 221137060 /nfs/dbraw/zinc/13/70/60/221137060.db2.gz OZZHWBQJFYGRFL-OAHLLOKOSA-N 0 0 354.233 5.338 3 0 FKAFRN O=C(NCc1ccccc1)c1cccc2c(-c3ccc(F)c(F)c3)coc21 ZINC000061903998 212027001 /nfs/dbraw/zinc/02/70/01/212027001.db2.gz DQVGECPEODKVLL-UHFFFAOYSA-N 0 0 363.363 5.308 3 0 FKAFRN O[C@@H](c1nc(-c2ccccc2Cl)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000061904963 205288399 /nfs/dbraw/zinc/28/83/99/205288399.db2.gz OSLNSFHEQBAFMI-OAHLLOKOSA-N 0 0 353.636 5.119 3 0 FKAFRN C[C@](O)(c1nc(-c2cc3ccccc3o2)cs1)c1ccc(F)c(F)c1 ZINC000061904985 212026817 /nfs/dbraw/zinc/02/68/17/212026817.db2.gz DHXJTCOUWHJDHF-LJQANCHMSA-N 0 0 357.381 5.090 3 0 FKAFRN C[C@@](O)(c1nc(-c2cc3ccccc3o2)cs1)c1ccc(F)c(F)c1 ZINC000061904986 205287713 /nfs/dbraw/zinc/28/77/13/205287713.db2.gz DHXJTCOUWHJDHF-IBGZPJMESA-N 0 0 357.381 5.090 3 0 FKAFRN O[C@@H](c1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000061905110 205287779 /nfs/dbraw/zinc/28/77/79/205287779.db2.gz QFJXGXINXIAGCS-OAHLLOKOSA-N 0 0 353.636 5.119 3 0 FKAFRN O[C@H](c1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000061905111 205288503 /nfs/dbraw/zinc/28/85/03/205288503.db2.gz QFJXGXINXIAGCS-HNNXBMFYSA-N 0 0 353.636 5.119 3 0 FKAFRN C[C@](O)(c1nc(-c2csc3ccccc23)cs1)c1cccc(F)c1 ZINC000061905471 212026147 /nfs/dbraw/zinc/02/61/47/212026147.db2.gz DBVOCAZNWPRQLS-LJQANCHMSA-N 0 0 355.459 5.420 3 0 FKAFRN C[C@@](O)(c1nc(-c2csc3ccccc23)cs1)c1cccc(F)c1 ZINC000061905472 221137310 /nfs/dbraw/zinc/13/73/10/221137310.db2.gz DBVOCAZNWPRQLS-IBGZPJMESA-N 0 0 355.459 5.420 3 0 FKAFRN CC(C)Nc1nc2cc(-c3ccccc3)sc2c(-c2ccccc2F)n1 ZINC000061905504 205288099 /nfs/dbraw/zinc/28/80/99/205288099.db2.gz LXUOQBCZGZATKG-UHFFFAOYSA-N 0 0 363.461 5.985 3 0 FKAFRN CC(=O)N[C@H](c1nc(-c2csc3ccccc23)cs1)c1ccccc1 ZINC000061905958 221137075 /nfs/dbraw/zinc/13/70/75/221137075.db2.gz WLMCYFNWFTXAEM-IBGZPJMESA-N 0 0 364.495 5.250 3 0 FKAFRN CC(=O)N[C@@H](c1nc(-c2csc3ccccc23)cs1)c1ccccc1 ZINC000061905959 205289884 /nfs/dbraw/zinc/28/98/84/205289884.db2.gz WLMCYFNWFTXAEM-LJQANCHMSA-N 0 0 364.495 5.250 3 0 FKAFRN CC(=O)N[C@@H](c1nc(-c2cccc(C(C)C)c2)cs1)c1ccccc1 ZINC000061905978 212027367 /nfs/dbraw/zinc/02/73/67/212027367.db2.gz QGNSZZUSUXLSGT-HXUWFJFHSA-N 0 0 350.487 5.159 3 0 FKAFRN O[C@@H](c1nc(-c2cnc3ccccc3c2)cs1)c1cccc(Cl)c1 ZINC000061906041 208600629 /nfs/dbraw/zinc/60/06/29/208600629.db2.gz ALUWWDQBTSBBGA-GOSISDBHSA-N 0 0 352.846 5.093 3 0 FKAFRN O[C@H](c1nc(-c2cnc3ccccc3c2)cs1)c1cccc(Cl)c1 ZINC000061906042 221137016 /nfs/dbraw/zinc/13/70/16/221137016.db2.gz ALUWWDQBTSBBGA-SFHVURJKSA-N 0 0 352.846 5.093 3 0 FKAFRN N[C@@H](c1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)c(F)c1 ZINC000061906240 212026889 /nfs/dbraw/zinc/02/68/89/212026889.db2.gz YJPJVTRKGCGDJX-LJQANCHMSA-N 0 0 352.409 5.290 3 0 FKAFRN N[C@H](c1nc(-c2ccc3ccccc3c2)cs1)c1ccc(F)c(F)c1 ZINC000061906241 221137201 /nfs/dbraw/zinc/13/72/01/221137201.db2.gz YJPJVTRKGCGDJX-IBGZPJMESA-N 0 0 352.409 5.290 3 0 FKAFRN O[C@@H](c1nc(-c2ccc3ccccc3c2)c[nH]1)c1cc(F)cc(Cl)c1 ZINC000061906415 212026937 /nfs/dbraw/zinc/02/69/37/212026937.db2.gz KUVNZUXWVQZCDJ-LJQANCHMSA-N 0 0 352.796 5.104 3 0 FKAFRN O[C@H](c1nc(-c2ccc3ccccc3c2)c[nH]1)c1cc(F)cc(Cl)c1 ZINC000061906416 205288993 /nfs/dbraw/zinc/28/89/93/205288993.db2.gz KUVNZUXWVQZCDJ-IBGZPJMESA-N 0 0 352.796 5.104 3 0 FKAFRN O=C(NCCC(F)(F)F)c1cccc2c(-c3ccc(F)c(F)c3)coc21 ZINC000061906683 205289407 /nfs/dbraw/zinc/28/94/07/205289407.db2.gz LOCAQQNKKFZQQW-UHFFFAOYSA-N 0 0 369.289 5.060 3 0 FKAFRN O[C@](c1nc(/C=C/c2ccccc2)cs1)(c1ccccc1)C(F)(F)F ZINC000061906847 205290125 /nfs/dbraw/zinc/29/01/25/205290125.db2.gz JSAZGJWABSGUJE-DXRVJIQQSA-N 0 0 361.388 5.112 3 0 FKAFRN O[C@@](c1nc(/C=C/c2ccccc2)cs1)(c1ccccc1)C(F)(F)F ZINC000061906848 221137019 /nfs/dbraw/zinc/13/70/19/221137019.db2.gz JSAZGJWABSGUJE-IENJSVCTSA-N 0 0 361.388 5.112 3 0 FKAFRN O[C@@H](c1nc(-c2cccc3ccccc32)c[nH]1)c1ccc(Cl)c(F)c1 ZINC000061907060 208600389 /nfs/dbraw/zinc/60/03/89/208600389.db2.gz ALAIFMGIAKZINV-LJQANCHMSA-N 0 0 352.796 5.104 3 0 FKAFRN O[C@H](c1nc(-c2cccc3ccccc32)c[nH]1)c1ccc(Cl)c(F)c1 ZINC000061907061 212026668 /nfs/dbraw/zinc/02/66/68/212026668.db2.gz ALAIFMGIAKZINV-IBGZPJMESA-N 0 0 352.796 5.104 3 0 FKAFRN Cc1cc(Cl)ccc1[C@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000061907133 205289880 /nfs/dbraw/zinc/28/98/80/205289880.db2.gz JAUPQKZLBDEGSJ-INIZCTEOSA-N 0 0 366.770 5.139 3 0 FKAFRN Cc1cc(Cl)ccc1[C@@H](O)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000061907134 212026899 /nfs/dbraw/zinc/02/68/99/212026899.db2.gz JAUPQKZLBDEGSJ-MRXNPFEDSA-N 0 0 366.770 5.139 3 0 FKAFRN C[C@](O)(c1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc(F)c(F)c1 ZINC000061907502 205289152 /nfs/dbraw/zinc/28/91/52/205289152.db2.gz RPQXRBKEZHXDNG-QGZVFWFLSA-N 0 0 369.795 5.137 3 0 FKAFRN C[C@@](O)(c1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccc(F)c(F)c1 ZINC000061907503 221136458 /nfs/dbraw/zinc/13/64/58/221136458.db2.gz RPQXRBKEZHXDNG-KRWDZBQOSA-N 0 0 369.795 5.137 3 0 FKAFRN CC(C)c1cccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)c1 ZINC000061907695 205289904 /nfs/dbraw/zinc/28/99/04/205289904.db2.gz OVFYEODBGFAOEE-HXUWFJFHSA-N 0 0 359.441 5.468 3 0 FKAFRN O[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(F)cc1 ZINC000061907903 221136879 /nfs/dbraw/zinc/13/68/79/221136879.db2.gz HEAXPRLCJSVWQR-OAHLLOKOSA-N 0 0 353.340 5.050 3 0 FKAFRN O[C@H](c1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(F)cc1 ZINC000061907906 221136490 /nfs/dbraw/zinc/13/64/90/221136490.db2.gz HEAXPRLCJSVWQR-HNNXBMFYSA-N 0 0 353.340 5.050 3 0 FKAFRN Clc1ccc(-c2cc3nc(NCc4cccc(Cl)c4)ccn3n2)cc1 ZINC000061907926 205288903 /nfs/dbraw/zinc/28/89/03/205288903.db2.gz ZUEHGMPOVXEIMK-UHFFFAOYSA-N 0 0 369.255 5.315 3 0 FKAFRN O=CNc1cc(-c2ccccc2)cn2c(-c3ccc(F)c(Cl)c3)cnc12 ZINC000061908270 212026558 /nfs/dbraw/zinc/02/65/58/212026558.db2.gz IFBOXEURBLKSPY-UHFFFAOYSA-N 0 0 365.795 5.029 3 0 FKAFRN O[C@@H](c1nc(-c2cccc3cccnc32)cs1)c1cccc(Cl)c1 ZINC000061908347 205289758 /nfs/dbraw/zinc/28/97/58/205289758.db2.gz FHZILDWMICDIGC-GOSISDBHSA-N 0 0 352.846 5.093 3 0 FKAFRN COc1ccc(-c2coc3c2cccc3C(=O)Nc2cccnc2)c(C)c1 ZINC000061908840 221136662 /nfs/dbraw/zinc/13/66/62/221136662.db2.gz 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