smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)nc2N)cc1 ZINC000001079717 695535660 /nfs/dbraw/zinc/53/56/60/695535660.db2.gz RWOZXJCIDNNFSO-UHFFFAOYSA-N 0 0 357.435 3.076 50 0 FGAARN Cc1cnc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cn1 ZINC000013593436 695610630 /nfs/dbraw/zinc/61/06/30/695610630.db2.gz VMCMDCKYGYLHSL-AWEZNQCLSA-N 0 0 357.841 3.482 50 0 FGAARN CCN(CC)C(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C ZINC000014990277 695615650 /nfs/dbraw/zinc/61/56/50/695615650.db2.gz COOATXQDXMHFMM-UHFFFAOYSA-N 0 0 355.467 3.490 50 0 FGAARN Cn1c(CNC(=O)c2cccs2)nnc1SCc1ccc(F)cc1 ZINC000015003018 695615714 /nfs/dbraw/zinc/61/57/14/695615714.db2.gz IVYUESCIBIHBSC-UHFFFAOYSA-N 0 0 362.455 3.238 50 0 FGAARN O=C(/C=C/c1ccco1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000022885468 695658175 /nfs/dbraw/zinc/65/81/75/695658175.db2.gz MYFCUYCNRJHFFT-GQCTYLIASA-N 0 0 351.328 3.055 50 0 FGAARN CC(C)n1cc(CNC(=O)Nc2nnc(Cc3ccccc3)s2)cn1 ZINC000023368605 695661342 /nfs/dbraw/zinc/66/13/42/695661342.db2.gz CJUGTUUICDEQPU-UHFFFAOYSA-N 0 0 356.455 3.228 50 0 FGAARN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CCc2ccccc21 ZINC000083065083 700343957 /nfs/dbraw/zinc/34/39/57/700343957.db2.gz FOPRCNDCIXRABT-UHFFFAOYSA-N 0 0 351.374 3.027 50 0 FGAARN Cc1nc(CC(=O)NCc2ccnc(N3CCCCCC3)c2)c(C)s1 ZINC000118986910 700617482 /nfs/dbraw/zinc/61/74/82/700617482.db2.gz JMSFIMGFPQZRSI-UHFFFAOYSA-N 0 0 358.511 3.394 50 0 FGAARN CN(Cc1nccn1C(F)F)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000120665451 700658319 /nfs/dbraw/zinc/65/83/19/700658319.db2.gz DLQYZVVNSVEHLF-INIZCTEOSA-N 0 0 351.397 3.468 50 0 FGAARN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N[C@@H](C)c1nc[nH]n1 ZINC000128952337 700781485 /nfs/dbraw/zinc/78/14/85/700781485.db2.gz CURDUYHWHVMECY-ZETCQYMHSA-N 0 0 356.860 3.021 50 0 FGAARN O=S(=O)(c1ccccc1Cl)N1CCCN(c2ccc(F)cc2)CC1 ZINC000142978454 704885086 /nfs/dbraw/zinc/88/50/86/704885086.db2.gz NLPKCIRTGQXJFQ-UHFFFAOYSA-N 0 0 368.861 3.380 50 0 FGAARN CC(C)C(=O)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000169773513 705350920 /nfs/dbraw/zinc/35/09/20/705350920.db2.gz DAMRVQICGNJSMX-UHFFFAOYSA-N 0 0 353.413 3.371 50 0 FGAARN CCCN(C[C@@H]1CCOC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000169762842 705351123 /nfs/dbraw/zinc/35/11/23/705351123.db2.gz SKDSKJMQMJLGPX-LBPRGKRZSA-N 0 0 351.390 3.143 50 0 FGAARN O=C(N[C@H](c1nccs1)C1CC1)c1cc(N2CCCC2=O)ccc1F ZINC000173700939 705469791 /nfs/dbraw/zinc/46/97/91/705469791.db2.gz MCRIAPOINSYPBE-INIZCTEOSA-N 0 0 359.426 3.290 50 0 FGAARN CC(C)Oc1cccc(CN2CCCc3ccc(S(N)(=O)=O)cc32)c1 ZINC000174682343 705513907 /nfs/dbraw/zinc/51/39/07/705513907.db2.gz TVVYHVJIFPJGAY-UHFFFAOYSA-N 0 0 360.479 3.074 50 0 FGAARN CCCCc1nnc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)s1 ZINC000180378825 705737939 /nfs/dbraw/zinc/73/79/39/705737939.db2.gz AHVLCQDLNPDHAA-HNNXBMFYSA-N 0 0 360.483 3.356 50 0 FGAARN CCS(=O)(=O)c1ccc(-c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cc1 ZINC000190366652 712812862 /nfs/dbraw/zinc/81/28/62/712812862.db2.gz VNZYCQDZSBDWJQ-GJZGRUSLSA-N 0 0 364.467 3.449 50 0 FGAARN CCOC(=O)C(=NNc1ccc(Br)cc1)N1CCCCC1 ZINC000254376446 713675601 /nfs/dbraw/zinc/67/56/01/713675601.db2.gz XMMJYTLSCOTMTP-UHFFFAOYSA-N 0 0 354.248 3.224 50 0 FGAARN O=C(NN=Cc1ccco1)c1cc(-c2ccc(Br)s2)n[nH]1 ZINC000254870990 713676761 /nfs/dbraw/zinc/67/67/61/713676761.db2.gz JYZLOUWGENTCRF-UHFFFAOYSA-N 0 0 365.212 3.258 50 0 FGAARN COCCn1cc2c(n1)[C@H](NC(=O)c1cscc1C(F)(F)F)CCC2 ZINC000621953159 715040420 /nfs/dbraw/zinc/04/04/20/715040420.db2.gz FBWZSZIIXBEXDS-CYBMUJFWSA-N 0 0 373.400 3.417 50 0 FGAARN Cc1oc2ncnc(NC(=O)C[C@H](n3cccn3)C(F)(F)F)c2c1C ZINC000622776747 715090612 /nfs/dbraw/zinc/09/06/12/715090612.db2.gz QDUIESVDLDYWJT-JTQLQIEISA-N 0 0 353.304 3.168 50 0 FGAARN Clc1ccc2c(ccn2CCNc2cc(N3CCOCC3)ncn2)c1 ZINC000804774285 724549532 /nfs/dbraw/zinc/54/95/32/724549532.db2.gz HIEPBYCFHLSLCE-UHFFFAOYSA-N 0 0 357.845 3.033 50 0 FGAARN CC(C)O[C@]1(Cn2nnc(Cc3ccc(Cl)c(Cl)c3)n2)CCOC1 ZINC000657251530 719607883 /nfs/dbraw/zinc/60/78/83/719607883.db2.gz FVKFULSRHLMQOB-INIZCTEOSA-N 0 0 371.268 3.155 50 0 FGAARN Cc1ccc(C(=O)N2CCCC[C@H]2CCN2CCCC2=O)n1C(F)F ZINC000952963929 762536380 /nfs/dbraw/zinc/53/63/80/762536380.db2.gz LVHCVAKQWDBUSA-AWEZNQCLSA-N 0 0 353.413 3.199 50 0 FGAARN CCn1nc(C)c(CN(CCOC)C(=O)c2ccc3nc(C)oc3c2)c1C ZINC000215129078 222642531 /nfs/dbraw/zinc/64/25/31/222642531.db2.gz KMUHQKLOUTVWTL-UHFFFAOYSA-N 0 0 370.453 3.258 50 0 FGAARN CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1 ZINC000001125206 219374828 /nfs/dbraw/zinc/37/48/28/219374828.db2.gz NYPYBFPMNUMRKX-GFCCVEGCSA-N 0 0 371.462 3.090 50 0 FGAARN C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)C[C@@H](C)O1 ZINC000001124457 219375070 /nfs/dbraw/zinc/37/50/70/219375070.db2.gz AAVVITONJLJCOG-NXEZZACHSA-N 0 0 362.651 3.117 50 0 FGAARN Cc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C ZINC000001126411 219375775 /nfs/dbraw/zinc/37/57/75/219375775.db2.gz BHCXFIXVIVUZSU-UHFFFAOYSA-N 0 0 374.400 3.392 50 0 FGAARN CCCN(C(=O)c1ccc(N)cc1)c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001186775 219386758 /nfs/dbraw/zinc/38/67/58/219386758.db2.gz BCFGDKVZAORCPE-UHFFFAOYSA-N 0 0 364.449 3.123 50 0 FGAARN Brc1ccc(OCc2ccccc2)c(CNn2cnnc2)c1 ZINC000007602445 219810861 /nfs/dbraw/zinc/81/08/61/219810861.db2.gz XXWXFNYMYBGWEJ-UHFFFAOYSA-N 0 0 359.227 3.363 50 0 FGAARN Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 ZINC000007599233 219809933 /nfs/dbraw/zinc/80/99/33/219809933.db2.gz SHQATBPGEPLBLF-OAHLLOKOSA-N 0 0 366.417 3.066 50 0 FGAARN CCCN1c2cc(NS(=O)(=O)CC(C)C)ccc2OCC(C)(C)C1=O ZINC000009172025 219875565 /nfs/dbraw/zinc/87/55/65/219875565.db2.gz IUBQXUNZTUKJGP-UHFFFAOYSA-N 0 0 368.499 3.246 50 0 FGAARN CN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000299759053 203753484 /nfs/dbraw/zinc/75/34/84/203753484.db2.gz HDKXOCNQIQSRTD-UHFFFAOYSA-N 0 0 352.398 3.391 50 0 FGAARN CC(C)Oc1cccc(NC(=O)N2CCNC(=O)[C@@H]2c2cccc(F)c2)c1 ZINC000299798672 203777311 /nfs/dbraw/zinc/77/73/11/203777311.db2.gz 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QUJZSXRJIRUHBM-UHFFFAOYSA-N 0 0 369.450 3.059 50 0 FGAARN Cn1ncc2c1nc(C1CCCC1)nc2NCc1ccccc1-n1cncn1 ZINC000072477214 494181402 /nfs/dbraw/zinc/18/14/02/494181402.db2.gz HWLWWFDMBLGGNQ-UHFFFAOYSA-N 0 0 374.452 3.214 50 0 FGAARN C[C@H]1CCc2[nH]c3ccc(C(=O)NCCc4nnc5ccccn54)cc3c2C1 ZINC000011545366 494181514 /nfs/dbraw/zinc/18/15/14/494181514.db2.gz OXSGRNPUEHWKIQ-AWEZNQCLSA-N 0 0 373.460 3.308 50 0 FGAARN CCc1ccccc1N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000011566372 494181846 /nfs/dbraw/zinc/18/18/46/494181846.db2.gz FHCDLEAKJFGAGO-UHFFFAOYSA-N 0 0 362.429 3.318 50 0 FGAARN CCCc1nc2cccnc2n1[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC000065270999 494184175 /nfs/dbraw/zinc/18/41/75/494184175.db2.gz FMBACOXPQQTNCB-MRXNPFEDSA-N 0 0 364.449 3.480 50 0 FGAARN C[C@H](Oc1ccccc1)C(=O)Nc1cccn2nc(-c3cccnc3)nc12 ZINC000065284189 494186090 /nfs/dbraw/zinc/18/60/90/494186090.db2.gz YCQXSOCDTYEXLL-AWEZNQCLSA-N 0 0 359.389 3.197 50 0 FGAARN CCSc1nnc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)s1 ZINC000011690152 494186240 /nfs/dbraw/zinc/18/62/40/494186240.db2.gz CHPRYOFGAGRIBX-UHFFFAOYSA-N 0 0 374.495 3.408 50 0 FGAARN COC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2C)c1 ZINC000011692784 494186835 /nfs/dbraw/zinc/18/68/35/494186835.db2.gz AZBCIFRBMKOEJG-UHFFFAOYSA-N 0 0 364.405 3.231 50 0 FGAARN COc1ccc(CCNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1OC ZINC000054037237 494188403 /nfs/dbraw/zinc/18/84/03/494188403.db2.gz MDAPBVCYHRIOOO-ZDUSSCGKSA-N 0 0 368.437 3.183 50 0 FGAARN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCC(C)=O)cc1 ZINC000011753963 494189966 /nfs/dbraw/zinc/18/99/66/494189966.db2.gz VJBWCHXGJKYPRD-GOSISDBHSA-N 0 0 369.465 3.380 50 0 FGAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(Cc2nccn2C)C1 ZINC000011818570 494192362 /nfs/dbraw/zinc/19/23/62/494192362.db2.gz FCEOYSUVTKDEFS-NRFANRHFSA-N 0 0 355.482 3.198 50 0 FGAARN COc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)co2)c1 ZINC000011856552 494194277 /nfs/dbraw/zinc/19/42/77/494194277.db2.gz WFHWBBNZJGKUMC-UHFFFAOYSA-N 0 0 351.358 3.480 50 0 FGAARN C[C@H](Sc1nccn1C1CC1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000011895021 494195243 /nfs/dbraw/zinc/19/52/43/494195243.db2.gz MHCWNZMDWDOZBJ-LBPRGKRZSA-N 0 0 370.478 3.463 50 0 FGAARN NC(=O)[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000012050202 494200258 /nfs/dbraw/zinc/20/02/58/494200258.db2.gz DGRXLXRQDXZCGN-OAHLLOKOSA-N 0 0 358.488 3.122 50 0 FGAARN COC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 ZINC000012021712 494200735 /nfs/dbraw/zinc/20/07/35/494200735.db2.gz SFDZOSDOYAKHGS-GOSISDBHSA-N 0 0 356.397 3.329 50 0 FGAARN O=C(c1ccnc(NC2CC2)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000065609877 494219548 /nfs/dbraw/zinc/21/95/48/494219548.db2.gz QGYQMOMIQPOBQK-QGZVFWFLSA-N 0 0 365.433 3.404 50 0 FGAARN CCOC(=O)C[C@H](NC(=O)c1cc2c(C)nn(C)c2s1)c1ccccc1 ZINC000065610700 494219570 /nfs/dbraw/zinc/21/95/70/494219570.db2.gz IAOAWQSDWQXRBV-HNNXBMFYSA-N 0 0 371.462 3.368 50 0 FGAARN Cc1nnc([C@@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)s1 ZINC000042380274 494220654 /nfs/dbraw/zinc/22/06/54/494220654.db2.gz NIPFHWZAZKVAIP-LLVKDONJSA-N 0 0 359.480 3.318 50 0 FGAARN CC(=O)Nc1cccc2c1CCN(C(=O)c1cc3c(cc1O)CCCC3)C2 ZINC000065618837 494220682 /nfs/dbraw/zinc/22/06/82/494220682.db2.gz ILIBTKRKCMRAJQ-UHFFFAOYSA-N 0 0 364.445 3.428 50 0 FGAARN Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H](C)N1CCCC1=O ZINC000012307943 494223654 /nfs/dbraw/zinc/22/36/54/494223654.db2.gz WMIVQDFTMNLTFA-MRXNPFEDSA-N 0 0 367.449 3.118 50 0 FGAARN CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)ccc21 ZINC000012325048 494224133 /nfs/dbraw/zinc/22/41/33/494224133.db2.gz KNUBTETWKMAQEE-UHFFFAOYSA-N 0 0 364.401 3.369 50 0 FGAARN Cc1cc(C)n(CC(=O)NCc2cccnc2Oc2ccccc2F)n1 ZINC000012320818 494224405 /nfs/dbraw/zinc/22/44/05/494224405.db2.gz QSYVDAIACQPUME-UHFFFAOYSA-N 0 0 354.385 3.143 50 0 FGAARN CC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC[C@H]2CCCO2)cc1 ZINC000012380133 494227613 /nfs/dbraw/zinc/22/76/13/494227613.db2.gz NOCTYDBFKZROLD-QRVBRYPASA-N 0 0 371.433 3.132 50 0 FGAARN CCOC(=O)[C@H]1CCCN(Cc2nc(Cc3ccccc3Cl)no2)C1 ZINC000012387207 494229150 /nfs/dbraw/zinc/22/91/50/494229150.db2.gz FUSIQDDERRWCPS-AWEZNQCLSA-N 0 0 363.845 3.089 50 0 FGAARN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCC1)c1cccnc1 ZINC000012407685 494230368 /nfs/dbraw/zinc/23/03/68/494230368.db2.gz WAFULXGSJLUQKB-FQEVSTJZSA-N 0 0 365.477 3.262 50 0 FGAARN O=C(NC(=S)Nc1ccc(C(=O)N2CCCC2)cc1)c1cccs1 ZINC000012404415 494230430 /nfs/dbraw/zinc/23/04/30/494230430.db2.gz MUVASVSRROHVHH-UHFFFAOYSA-N 0 0 359.476 3.111 50 0 FGAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cc[nH]n2)CC1 ZINC000012430084 494231063 /nfs/dbraw/zinc/23/10/63/494231063.db2.gz BYDQEEPYZGOQRY-UHFFFAOYSA-N 0 0 361.873 3.451 50 0 FGAARN Cc1cccc(-c2noc([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)c1 ZINC000012416013 494231392 /nfs/dbraw/zinc/23/13/92/494231392.db2.gz OGXJWQHJZKEGCQ-AWEZNQCLSA-N 0 0 363.373 3.294 50 0 FGAARN CCC[C@H](CC(=O)OCC)NC(=O)c1cn(CCC2CCCCC2)nn1 ZINC000012430927 494232690 /nfs/dbraw/zinc/23/26/90/494232690.db2.gz NVEPMJFGLYPSAM-MRXNPFEDSA-N 0 0 364.490 3.100 50 0 FGAARN Cn1nccc1C(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012441991 494233520 /nfs/dbraw/zinc/23/35/20/494233520.db2.gz DWFGZPLLWAEJGG-KRWDZBQOSA-N 0 0 373.456 3.407 50 0 FGAARN Cc1ccc2c(c1)N(C(=O)CSc1nc3ccccc3c(=O)[nH]1)CCO2 ZINC000012462585 494234354 /nfs/dbraw/zinc/23/43/54/494234354.db2.gz FXMQMKLMUBWARF-UHFFFAOYSA-N 0 0 367.430 3.162 50 0 biogenic,in-vitro FGAARN Cc1ccccc1OCCn1c(CN2CCOCC2)nc2ccccc21 ZINC000012463137 494234436 /nfs/dbraw/zinc/23/44/36/494234436.db2.gz JDGBWEHMWGCCKO-UHFFFAOYSA-N 0 0 351.450 3.256 50 0 FGAARN Cc1ccc(-c2nc(Cn3c4ccccc4c(=O)n(C)c3=O)cs2)cc1 ZINC000012462047 494234621 /nfs/dbraw/zinc/23/46/21/494234621.db2.gz GTZDLRBPHRFQSH-UHFFFAOYSA-N 0 0 363.442 3.180 50 0 FGAARN CCCCn1nc(C)c(C(=O)Nc2ccc(-n3ccnc3)nc2)c1Cl ZINC000012520636 494236693 /nfs/dbraw/zinc/23/66/93/494236693.db2.gz JXMVGUODJMMLPJ-UHFFFAOYSA-N 0 0 358.833 3.478 50 0 FGAARN CC(C)n1ncc2cc(C(=O)O[C@H](c3nccn3C)C(F)(F)F)cnc21 ZINC000012507792 494236717 /nfs/dbraw/zinc/23/67/17/494236717.db2.gz HURPBDGPQHXNIK-GFCCVEGCSA-N 0 0 367.331 3.206 50 0 FGAARN O=C(Cc1cccc2ccccc21)NCc1nnc2n1-c1ccccc1CC2 ZINC000012527869 494238338 /nfs/dbraw/zinc/23/83/38/494238338.db2.gz VJCZOPYDZPBDDK-UHFFFAOYSA-N 0 0 368.440 3.378 50 0 FGAARN COC(=O)c1ccccc1[C@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1 ZINC000012537652 494239487 /nfs/dbraw/zinc/23/94/87/494239487.db2.gz UJEWBFBIIRXQQU-KUHUBIRLSA-N 0 0 366.417 3.219 50 0 FGAARN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2N2CCCC2)C1=O ZINC000012543175 494240411 /nfs/dbraw/zinc/24/04/11/494240411.db2.gz VQKUIOYCDOTQMI-HNNXBMFYSA-N 0 0 365.433 3.039 50 0 FGAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 ZINC000012550049 494241154 /nfs/dbraw/zinc/24/11/54/494241154.db2.gz QASLOOXOKXHZAR-OAHLLOKOSA-N 0 0 363.417 3.366 50 0 FGAARN O=C(OCc1csc(-c2ccsc2)n1)c1ccc(-n2cnnn2)cc1 ZINC000012552992 494241273 /nfs/dbraw/zinc/24/12/73/494241273.db2.gz UXOMRBZQXHJXHY-UHFFFAOYSA-N 0 0 369.431 3.204 50 0 FGAARN O=C(NCCc1cn2ccccc2n1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012550746 494241579 /nfs/dbraw/zinc/24/15/79/494241579.db2.gz SEMVUBXRNUOGHN-UHFFFAOYSA-N 0 0 371.444 3.370 50 0 FGAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1cncn1-c1ccccc1 ZINC000012550028 494241686 /nfs/dbraw/zinc/24/16/86/494241686.db2.gz IFHYFVPAAYJCMF-UHFFFAOYSA-N 0 0 368.824 3.203 50 0 FGAARN Cc1c2cccc(F)c2oc1C(=O)N1CCC[C@H](CN2CCCC2=O)C1 ZINC000012570937 494244458 /nfs/dbraw/zinc/24/44/58/494244458.db2.gz ZNWFTXRKFVJICD-CQSZACIVSA-N 0 0 358.413 3.355 50 0 FGAARN COCCC(=O)Nc1ccc2c(c1)CN(C(=O)c1oc(C)cc1C)CC2 ZINC000012595633 494244843 /nfs/dbraw/zinc/24/48/43/494244843.db2.gz GCFRHCYITHZEFO-UHFFFAOYSA-N 0 0 356.422 3.070 50 0 FGAARN O=C(CCC1CCN(C(=O)CC2=CCCCC2)CC1)NC[C@@H]1CCCO1 ZINC000012596410 494245616 /nfs/dbraw/zinc/24/56/16/494245616.db2.gz NLPWNAOFWXKEDI-IBGZPJMESA-N 0 0 362.514 3.191 50 0 FGAARN Cc1csc([C@@H](C)N(C)C(=O)c2cn(Cc3ccccc3F)nn2)n1 ZINC000012612587 494247440 /nfs/dbraw/zinc/24/74/40/494247440.db2.gz RQIKXRULASNDDK-GFCCVEGCSA-N 0 0 359.430 3.064 50 0 FGAARN O=C(CCc1ccccc1Cl)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000012615601 494247501 /nfs/dbraw/zinc/24/75/01/494247501.db2.gz GPISHCVMZOLHDG-UHFFFAOYSA-N 0 0 370.758 3.445 50 0 FGAARN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(F)cc1 ZINC000012621532 494248265 /nfs/dbraw/zinc/24/82/65/494248265.db2.gz WXXDMBJIXGQSEK-UHFFFAOYSA-N 0 0 357.381 3.266 50 0 FGAARN O=C(CSc1ncnc2ccsc21)NC(=O)Nc1ccccc1F ZINC000012621204 494248524 /nfs/dbraw/zinc/24/85/24/494248524.db2.gz ZFKCEOBORSHSMZ-UHFFFAOYSA-N 0 0 362.411 3.271 50 0 FGAARN Cc1cc(C)c2c(n1)nc(S[C@@H](C)C(=O)N(C(C)C)C(C)C)[nH]c2=O ZINC000012729787 494251422 /nfs/dbraw/zinc/25/14/22/494251422.db2.gz TYAHOKZYMUKCHU-ZDUSSCGKSA-N 0 0 362.499 3.473 50 0 FGAARN Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)CCN2CCCO2)c1C ZINC000012710221 494252191 /nfs/dbraw/zinc/25/21/91/494252191.db2.gz CXQWRLZBNFXWMF-GOSISDBHSA-N 0 0 368.481 3.010 50 0 FGAARN Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000012742441 494252833 /nfs/dbraw/zinc/25/28/33/494252833.db2.gz NFVVFXCNKMRIKG-ZDUSSCGKSA-N 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COCCCN1C(=O)c2ccc(C(=O)Nc3c(C)cccc3C)cc2C1=O ZINC000004524231 207024905 /nfs/dbraw/zinc/02/49/05/207024905.db2.gz OXGYRQXKAMBMKD-UHFFFAOYSA-N 0 0 366.417 3.188 50 0 FGAARN COc1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)N32)cc1 ZINC000004520150 207025414 /nfs/dbraw/zinc/02/54/14/207025414.db2.gz AVLJEYZOUJOJIS-WMZOPIPTSA-N 0 0 370.430 3.287 50 0 FGAARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)c2cccnc2)C1=O ZINC000004525629 207025436 /nfs/dbraw/zinc/02/54/36/207025436.db2.gz LBHPCLTVWRIGPK-QHCPKHFHSA-N 0 0 372.424 3.397 50 0 FGAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000004518913 207025460 /nfs/dbraw/zinc/02/54/60/207025460.db2.gz JABQMWLSDTWHNE-GOSISDBHSA-N 0 0 373.405 3.364 50 0 FGAARN COc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4ccc(F)cc4)N3C2=O)cc1 ZINC000004520169 207025616 /nfs/dbraw/zinc/02/56/16/207025616.db2.gz PDYUMGUISNDQIC-RDJZCZTQSA-N 0 0 358.394 3.417 50 0 FGAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2N)c1 ZINC000004537230 207026398 /nfs/dbraw/zinc/02/63/98/207026398.db2.gz 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CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2C1 ZINC000007980122 210761789 /nfs/dbraw/zinc/76/17/89/210761789.db2.gz HTQROAHRWCQGGT-SCLBCKFNSA-N 0 0 369.552 3.206 50 0 FGAARN O=C1CCCN1c1ccc(C2=N/C(=C\c3ccc(F)cc3F)C(=O)O2)cc1 ZINC000007925874 210761197 /nfs/dbraw/zinc/76/11/97/210761197.db2.gz PUENRAMZPBEEGX-YVLHZVERSA-N 0 0 368.339 3.436 50 0 FGAARN COc1ccc(OCCCC(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000007814317 210755245 /nfs/dbraw/zinc/75/52/45/210755245.db2.gz XFDFKJHTNDEFKY-UHFFFAOYSA-N 0 0 372.421 3.460 50 0 FGAARN CC(C)c1ccccc1-n1ccnc1S[C@H](C)C(=O)N1CCNC1=O ZINC000007177926 210731595 /nfs/dbraw/zinc/73/15/95/210731595.db2.gz OHTWODPLSVCJBM-CYBMUJFWSA-N 0 0 358.467 3.028 50 0 FGAARN CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1Cl ZINC000006697234 210688012 /nfs/dbraw/zinc/68/80/12/210688012.db2.gz WBKCOSIJEUISNC-UHFFFAOYSA-N 0 0 357.797 3.427 50 0 FGAARN CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 ZINC000006662652 210687084 /nfs/dbraw/zinc/68/70/84/210687084.db2.gz 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494246801 /nfs/dbraw/zinc/24/68/01/494246801.db2.gz YECRVOWHJMMFEK-INIZCTEOSA-N 0 0 357.429 3.462 50 0 FGAARN CSc1cccc(CNC(=O)c2cn(Cc3ccc(F)cc3)nn2)c1 ZINC000012612764 494247524 /nfs/dbraw/zinc/24/75/24/494247524.db2.gz KNPBNDVLMIWQJE-UHFFFAOYSA-N 0 0 356.426 3.117 50 0 FGAARN Cc1cc(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc12 ZINC000012659810 494249575 /nfs/dbraw/zinc/24/95/75/494249575.db2.gz KKFNBEUPXFMYPO-UHFFFAOYSA-N 0 0 351.431 3.373 50 0 FGAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(Cl)c4ncccc34)nc2n1 ZINC000012741552 494253165 /nfs/dbraw/zinc/25/31/65/494253165.db2.gz YJJCEZLVOAJJTI-UHFFFAOYSA-N 0 0 352.785 3.195 50 0 FGAARN COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2C)c(F)cc1F ZINC000012738267 494253251 /nfs/dbraw/zinc/25/32/51/494253251.db2.gz AJZSSGLFWKDYOC-UHFFFAOYSA-N 0 0 355.362 3.169 50 0 FGAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000012757914 494255355 /nfs/dbraw/zinc/25/53/55/494255355.db2.gz BUJWGXRXRFPGQU-OAHLLOKOSA-N 0 0 367.474 3.248 50 0 FGAARN CC(C)OCCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012771202 494257201 /nfs/dbraw/zinc/25/72/01/494257201.db2.gz LUUXRPZIROOCOQ-UHFFFAOYSA-N 0 0 371.481 3.058 50 0 FGAARN COc1cc(OC)c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC ZINC000012770435 494257626 /nfs/dbraw/zinc/25/76/26/494257626.db2.gz PSMOYQVASGFLFV-UHFFFAOYSA-N 0 0 370.409 3.290 50 0 FGAARN CCCCCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012774441 494257728 /nfs/dbraw/zinc/25/77/28/494257728.db2.gz FZBPQGSLPPZECW-UHFFFAOYSA-N 0 0 374.506 3.253 50 0 FGAARN O=C(NC1=NCCS1)c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000012775585 494257929 /nfs/dbraw/zinc/25/79/29/494257929.db2.gz NVIIMUKNZNUBBG-UHFFFAOYSA-N 0 0 368.487 3.459 50 0 FGAARN Cc1ccc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc1C ZINC000054670593 494258412 /nfs/dbraw/zinc/25/84/12/494258412.db2.gz HZJBIDKWFOVLNS-IBGZPJMESA-N 0 0 352.434 3.060 50 0 FGAARN Cc1noc(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000054664333 494258539 /nfs/dbraw/zinc/25/85/39/494258539.db2.gz SFJTVOJXPOEWKZ-UHFFFAOYSA-N 0 0 353.344 3.346 50 0 FGAARN COc1ccccc1CNC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000012781094 494258648 /nfs/dbraw/zinc/25/86/48/494258648.db2.gz MWKQTNJEUMQZKU-LBPRGKRZSA-N 0 0 357.381 3.219 50 0 FGAARN Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1C ZINC000012797993 494259974 /nfs/dbraw/zinc/25/99/74/494259974.db2.gz REOCKMVCGYVNJM-CQSZACIVSA-N 0 0 374.872 3.249 50 0 FGAARN CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc(N2CCCC2)c(C)c1 ZINC000054679904 494260856 /nfs/dbraw/zinc/26/08/56/494260856.db2.gz JUYPURRYZWFYNC-MRXNPFEDSA-N 0 0 363.527 3.182 50 0 FGAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CC(=O)Nc2ccccc21 ZINC000012799610 494261284 /nfs/dbraw/zinc/26/12/84/494261284.db2.gz SGMZNOJKTYXYSM-UHFFFAOYSA-N 0 0 372.808 3.029 50 0 FGAARN Cc1cc(C)nc(SCC(=O)Nc2ccc(F)c(N3CCCC3=O)c2)n1 ZINC000043063444 494261313 /nfs/dbraw/zinc/26/13/13/494261313.db2.gz KCJTUQODTWCBPS-UHFFFAOYSA-N 0 0 374.441 3.090 50 0 FGAARN Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000012821047 494262251 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NC(=O)Nc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000012847481 494265092 /nfs/dbraw/zinc/26/50/92/494265092.db2.gz YIKXXCXVTRNOFB-UHFFFAOYSA-N 0 0 372.768 3.238 50 0 FGAARN CN(Cc1cccc(F)c1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000012854004 494266022 /nfs/dbraw/zinc/26/60/22/494266022.db2.gz MISCAHGTJLWLOT-UHFFFAOYSA-N 0 0 362.455 3.093 50 0 FGAARN C[C@@H](NC(=O)N1CCN(Cc2cccnc2)CC1)c1ccccc1Cl ZINC000043181946 494275406 /nfs/dbraw/zinc/27/54/06/494275406.db2.gz PFEOZFUQFJTKGF-OAHLLOKOSA-N 0 0 358.873 3.323 50 0 FGAARN COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c2c(Cl)ccc3Cl)cc1 ZINC000043199596 494276754 /nfs/dbraw/zinc/27/67/54/494276754.db2.gz HLXSCTYHLQHQDJ-KRWDZBQOSA-N 0 0 366.200 3.415 50 0 in-vitro FGAARN O=S(=O)(c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)cc1)C(F)F ZINC000043272583 494281529 /nfs/dbraw/zinc/28/15/29/494281529.db2.gz OOFDBHYHRDNSGV-MRXNPFEDSA-N 0 0 371.380 3.400 50 0 FGAARN CCOc1cccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1 ZINC000089269934 494282749 /nfs/dbraw/zinc/28/27/49/494282749.db2.gz 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CNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccccc1C(=O)OC ZINC000102200636 570828495 /nfs/dbraw/zinc/82/84/95/570828495.db2.gz PGGFUFJAFFBFSW-UHFFFAOYSA-N 0 0 367.361 3.265 50 0 FGAARN C[C@H](OC(=O)c1cc2ccccc2c(=O)[nH]1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000103330479 570847478 /nfs/dbraw/zinc/84/74/78/570847478.db2.gz YHOQZMOMOIUNNO-AYMQEEERSA-N 0 0 370.449 3.014 50 0 FGAARN CCCC(=O)N(Cc1ccc(Cl)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000101860686 570860563 /nfs/dbraw/zinc/86/05/63/570860563.db2.gz AFDKJRWASBJBJR-UHFFFAOYSA-N 0 0 373.844 3.021 50 0 FGAARN C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3c4ccccc4oc3c2=O)[C@H]1C ZINC000104682368 570860798 /nfs/dbraw/zinc/86/07/98/570860798.db2.gz JBKBGRBEFQVMNH-VNHYZAJKSA-N 0 0 353.422 3.084 50 0 FGAARN O=C([C@H](Nc1cccc(N2CCOC2=O)c1)c1ccccc1)N1CCCC1 ZINC000046816874 570875505 /nfs/dbraw/zinc/87/55/05/570875505.db2.gz YPHBMLWDBGASLW-LJQANCHMSA-N 0 0 365.433 3.419 50 0 FGAARN COc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(N)cc3)C2=O)cc1 ZINC000211153394 570894929 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CC[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 ZINC000045608786 570909708 /nfs/dbraw/zinc/90/97/08/570909708.db2.gz ISQMYPIQNMVUKX-INIZCTEOSA-N 0 0 359.861 3.113 50 0 FGAARN O=c1cc(CN2CCn3cccc3[C@@H]2c2ccccc2)nc2sccn21 ZINC000045957621 570916457 /nfs/dbraw/zinc/91/64/57/570916457.db2.gz OBPJNLAHKVIWLU-IBGZPJMESA-N 0 0 362.458 3.163 50 0 FGAARN COc1cc2c(cc1C(=O)Nc1ccc(NC(C)=O)cc1)OCCCO2 ZINC000046077902 570925249 /nfs/dbraw/zinc/92/52/49/570925249.db2.gz YILAFWNMVCOXGM-UHFFFAOYSA-N 0 0 356.378 3.067 50 0 FGAARN Cc1cc(C(=O)CCC(=O)NC2CCC3(CC2)OCCO3)c(C)s1 ZINC000047672510 570929318 /nfs/dbraw/zinc/92/93/18/570929318.db2.gz VMPPRBRSTRMTFP-UHFFFAOYSA-N 0 0 351.468 3.130 50 0 FGAARN CCCOC(=O)c1ccc(NC(=O)NCc2ccnc(N(C)C)c2)cc1 ZINC000048019933 570933623 /nfs/dbraw/zinc/93/36/23/570933623.db2.gz KTDLGQHQACJRKG-UHFFFAOYSA-N 0 0 356.426 3.036 50 0 FGAARN COc1ccc(NC(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)cn1 ZINC000048018397 570933686 /nfs/dbraw/zinc/93/36/86/570933686.db2.gz UUHBVHLCGQGPQQ-KRWDZBQOSA-N 0 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O=C(COC(=O)c1ccc2n[nH]cc2c1)N1CCC[C@@H]1c1cccs1 ZINC000084437101 571085761 /nfs/dbraw/zinc/08/57/61/571085761.db2.gz JJPWGCJDJHPWQS-OAHLLOKOSA-N 0 0 355.419 3.145 50 0 FGAARN O[C@H](CNC(=S)NCc1cccs1)c1ccccc1C(F)(F)F ZINC000084501662 571087015 /nfs/dbraw/zinc/08/70/15/571087015.db2.gz JTKFVNPKYHAGMN-CYBMUJFWSA-N 0 0 360.426 3.465 50 0 FGAARN O=C(NCc1cccnc1-n1cncn1)c1ccccc1-c1ccccc1 ZINC000084562781 571089636 /nfs/dbraw/zinc/08/96/36/571089636.db2.gz UPHJMPGXTATQNZ-UHFFFAOYSA-N 0 0 355.401 3.259 50 0 FGAARN CCOC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2NCC(F)(F)F)C1 ZINC000084793556 571100396 /nfs/dbraw/zinc/10/03/96/571100396.db2.gz XSLCUYOMSFUMCX-GFCCVEGCSA-N 0 0 373.375 3.468 50 0 FGAARN O=C(c1[nH]ccc1C1CC1)N1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685941749 571102056 /nfs/dbraw/zinc/10/20/56/571102056.db2.gz AXWBUSAWHKBYQF-XOBRGWDASA-N 0 0 352.438 3.346 50 0 FGAARN COC(=O)c1occc1[C@H]1Nc2ccccc2C(=O)N1CC(F)(F)F ZINC000078265156 571141238 /nfs/dbraw/zinc/14/12/38/571141238.db2.gz 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571222161 /nfs/dbraw/zinc/22/21/61/571222161.db2.gz AYDDDGGTPCSMGF-UHFFFAOYSA-N 0 0 372.472 3.410 50 0 FGAARN CCc1nc(CCNC(=O)c2cccc(-c3ccc4c(c3)OCO4)c2)no1 ZINC000426415293 571222308 /nfs/dbraw/zinc/22/23/08/571222308.db2.gz HBSSHLYPDYTHCK-UHFFFAOYSA-N 0 0 365.389 3.000 50 0 FGAARN Cc1cc(C)n([C@@H]2CCN(C(=O)Nc3cc(F)cc4c3NC(=O)CC4)C2)n1 ZINC000426472669 571226965 /nfs/dbraw/zinc/22/69/65/571226965.db2.gz GGEUMXDVEGDUAM-OAHLLOKOSA-N 0 0 371.416 3.003 50 0 FGAARN CC1(C)C[C@@H](c2nc(COc3ccc(F)cc3)nn2CCCO)CCO1 ZINC000670448186 571351469 /nfs/dbraw/zinc/35/14/69/571351469.db2.gz KXFYJJHNTCOQEW-AWEZNQCLSA-N 0 0 363.433 3.051 50 0 FGAARN CN(C)C(=O)CCc1nc(-c2cccc3c2ccn3C)nn1C(C)(C)C ZINC000670461017 571356870 /nfs/dbraw/zinc/35/68/70/571356870.db2.gz YJCQLTAPWDDEIA-UHFFFAOYSA-N 0 0 353.470 3.213 50 0 FGAARN CCOC(=O)C1=NN[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000001168394 695535786 /nfs/dbraw/zinc/53/57/86/695535786.db2.gz QNGGYOGASXQSOD-CVEARBPZSA-N 0 0 356.809 3.197 50 0 FGAARN COc1ccc2sc(/C=C(/C)SC)[n+](CCCS(=O)(=O)[O-])c2c1 ZINC000001882637 695536087 /nfs/dbraw/zinc/53/60/87/695536087.db2.gz CTDZTTXRGUBAIP-LUAWRHEFSA-O 0 0 374.529 3.199 50 0 FGAARN O=C([N-]C(=O)c1c(F)cccc1F)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000006057481 695554101 /nfs/dbraw/zinc/55/41/01/695554101.db2.gz QBCXSGYRKIFNLO-DOMZBBRYSA-N 0 0 352.381 3.096 50 0 FGAARN CO[C@H]1CCCN(Cc2nc(Cc3cccc(C(F)(F)F)c3)no2)C1 ZINC000012005195 695604246 /nfs/dbraw/zinc/60/42/46/695604246.db2.gz JTCCIVMPVAWDPF-AWEZNQCLSA-N 0 0 355.360 3.290 50 0 FGAARN Cc1c(C(=O)NCCC(C)C)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000012078265 695604391 /nfs/dbraw/zinc/60/43/91/695604391.db2.gz CLIMXGWNUFTZCN-CYBMUJFWSA-N 0 0 362.499 3.367 50 0 FGAARN CCCC[C@H](CC(=O)OCC)NC(=O)c1cn(C2CCCCC2)nn1 ZINC000014950277 695615705 /nfs/dbraw/zinc/61/57/05/695615705.db2.gz VIQPZFAITQWVRE-CQSZACIVSA-N 0 0 350.463 3.025 50 0 FGAARN O=C(Nc1cccc2c1CCN(Cc1nccs1)C2)c1ccncc1 ZINC000020997557 695642447 /nfs/dbraw/zinc/64/24/47/695642447.db2.gz SYAXMFJXQHXBRR-UHFFFAOYSA-N 0 0 350.447 3.349 50 0 FGAARN Cc1cc(C)n(-c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cn2)n1 ZINC000024577746 695668700 /nfs/dbraw/zinc/66/87/00/695668700.db2.gz XEXAIUCMAJQGTI-ZHACJKMWSA-N 0 0 354.435 3.297 50 0 FGAARN COCCN/C=C1/c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000105320746 700499730 /nfs/dbraw/zinc/49/97/30/700499730.db2.gz JPPKAMKPGTULLQ-QINSGFPZSA-N 0 0 356.809 3.104 50 0 FGAARN O=C(c1c([O-])cc(Cl)cc1Cl)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119614257 700634062 /nfs/dbraw/zinc/63/40/62/700634062.db2.gz NQAPQYISAILSAK-GFCCVEGCSA-N 0 0 353.205 3.388 50 0 FGAARN Cc1cc(Cl)ccc1S(=O)(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000125346210 700734796 /nfs/dbraw/zinc/73/47/96/700734796.db2.gz NWCJEHQZMUVWOP-OAHLLOKOSA-N 0 0 353.875 3.080 50 0 FGAARN O=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000161527321 705277184 /nfs/dbraw/zinc/27/71/84/705277184.db2.gz ITLHMJFCCICLRS-JTQLQIEISA-N 0 0 369.368 3.405 50 0 FGAARN Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)c3ccccc32)c(C)c1 ZINC000169759900 705351141 /nfs/dbraw/zinc/35/11/41/705351141.db2.gz XZUVBACWNBAJLS-UHFFFAOYSA-N 0 0 358.463 3.120 50 0 FGAARN COc1ccc(NC(=O)C[C@H]2CCCCN(C)C2=O)cc1C(F)(F)F ZINC000169791736 705351796 /nfs/dbraw/zinc/35/17/96/705351796.db2.gz WNFYVCJWXITPPC-LLVKDONJSA-N 0 0 358.360 3.301 50 0 FGAARN CC1(O)CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000177768099 705639190 /nfs/dbraw/zinc/63/91/90/705639190.db2.gz MLGRIIMZUBXVEP-UHFFFAOYSA-N 0 0 354.237 3.166 50 0 FGAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ncon1 ZINC000182537822 705849242 /nfs/dbraw/zinc/84/92/42/705849242.db2.gz XTPFEYLHBRFDAF-JTQLQIEISA-N 0 0 362.386 3.044 50 0 FGAARN O=S(=O)(NC[C@@H]1Cc2ccccc21)c1ccc(CC(F)(F)F)cc1 ZINC000189876047 712802907 /nfs/dbraw/zinc/80/29/07/712802907.db2.gz DWXGPLKUCNORHL-AWEZNQCLSA-N 0 0 355.381 3.410 50 0 FGAARN Cc1ccnc([C@H]2CCN(C(=O)C[C@H](n3cccn3)C(F)(F)F)C2)c1 ZINC000615914600 714557364 /nfs/dbraw/zinc/55/73/64/714557364.db2.gz JNYOFYYJZCWZPZ-ZFWWWQNUSA-N 0 0 352.360 3.096 50 0 FGAARN Cc1cc(C(=O)N2CC(C)(C)Oc3cc(Br)ccc32)nn1C ZINC000622987209 715116365 /nfs/dbraw/zinc/11/63/65/715116365.db2.gz WMKQNSZOZWZBCO-UHFFFAOYSA-N 0 0 364.243 3.309 50 0 FGAARN CCc1onc(C)c1NC(=O)NCc1cc(Br)cnc1OC ZINC000626462773 715909843 /nfs/dbraw/zinc/90/98/43/715909843.db2.gz LDUPWAWMJVYMKD-UHFFFAOYSA-N 0 0 369.219 3.033 50 0 FGAARN CCc1nnc([C@H]2CN(CCc3cccc(C(F)(F)F)c3)CCO2)o1 ZINC000628254547 716130564 /nfs/dbraw/zinc/13/05/64/716130564.db2.gz FXWJTAWOVCQIMU-CQSZACIVSA-N 0 0 355.360 3.267 50 0 FGAARN CCc1nc(S(=O)(=O)N(C)c2ccc(F)cc2Cl)cn1CC1CC1 ZINC000663299932 720499358 /nfs/dbraw/zinc/49/93/58/720499358.db2.gz NUFHWJIGJCICEA-UHFFFAOYSA-N 0 0 371.865 3.473 50 0 FGAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCOCC2)o1 ZINC000683145959 722282488 /nfs/dbraw/zinc/28/24/88/722282488.db2.gz DVGVZBSHZXDGMO-UHFFFAOYSA-N 0 0 353.415 3.097 50 0 FGAARN CCC(C)(C)CS(=O)(=O)N1CC(C)(C)[C@@H]1c1nccn1CC1CC1 ZINC000888100156 739470129 /nfs/dbraw/zinc/47/01/29/739470129.db2.gz REBNQEZFNCGZMW-HNNXBMFYSA-N 0 0 353.532 3.442 50 0 FGAARN CC1(C)CCc2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)ccc2O1 ZINC000888100445 739470301 /nfs/dbraw/zinc/47/03/01/739470301.db2.gz OFUHPKAYXOXORZ-ITNZAGEZSA-N 0 0 362.495 3.308 50 0 FGAARN COc1cc(=O)n2c(c1C(=O)NCc1ccc(Cl)cc1)CCCCC2 ZINC000888104180 739470713 /nfs/dbraw/zinc/47/07/13/739470713.db2.gz LOEQUQCEMQAASF-UHFFFAOYSA-N 0 0 360.841 3.167 50 0 FGAARN C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)C[C@]1(C)CO ZINC000888101643 739470838 /nfs/dbraw/zinc/47/08/38/739470838.db2.gz LHMHJMBNLRWHSP-FRFSOERESA-N 0 0 358.404 3.068 50 0 FGAARN CCCn1cc(S(=O)(=O)N(C)Cc2cccc(C(F)(F)F)c2)cn1 ZINC000952971020 762537829 /nfs/dbraw/zinc/53/78/29/762537829.db2.gz FDJVQNQLRCHBTA-UHFFFAOYSA-N 0 0 361.389 3.133 50 0 FGAARN CCCN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2cc[nH]n2)o1 ZINC000952978687 762538906 /nfs/dbraw/zinc/53/89/06/762538906.db2.gz ZCHOXOLLYRDVTF-UHFFFAOYSA-N 0 0 359.451 3.313 50 0 FGAARN CCC(=O)Nc1ccc(NC(=O)CSc2nc(C)cc(C)n2)c(C)c1 ZINC000952980365 762539618 /nfs/dbraw/zinc/53/96/18/762539618.db2.gz KEPZSHAXHXEMEG-UHFFFAOYSA-N 0 0 358.467 3.481 50 0 FGAARN CC[C@@H](C(=O)N(Cc1cccc(SC)c1)C(C)C)N1CCOCC1 ZINC000952981254 762539725 /nfs/dbraw/zinc/53/97/25/762539725.db2.gz ZWYNDERUKNONHX-SFHVURJKSA-N 0 0 350.528 3.256 50 0 FGAARN O=C(/C=C/c1cc(CO)cs1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000952962476 762536415 /nfs/dbraw/zinc/53/64/15/762536415.db2.gz FOEFSIGFIHAIQR-OAJJDEHYSA-N 0 0 363.504 3.287 50 0 FGAARN Nc1nc(SCC(=O)N2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000000719309 210266446 /nfs/dbraw/zinc/26/64/46/210266446.db2.gz QWMUKBOFMVZFIA-UHFFFAOYSA-N 0 0 362.524 3.257 50 0 FGAARN CCCOc1cccc(C(=O)NC2CCC(O)(c3cccnc3)CC2)c1 ZINC000170083124 222595103 /nfs/dbraw/zinc/59/51/03/222595103.db2.gz ULKORPXDGAWQMS-UHFFFAOYSA-N 0 0 354.450 3.431 50 0 FGAARN COc1ccccc1-c1nnc2n1N[C@@H](c1ccc(O)c(OC)c1)S2 ZINC000000715488 210263914 /nfs/dbraw/zinc/26/39/14/210263914.db2.gz CSEQQWVZCXOADR-MRXNPFEDSA-N 0 0 356.407 3.016 50 0 FGAARN O=C(C1CC1)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)CCO1 ZINC000170617830 222605775 /nfs/dbraw/zinc/60/57/75/222605775.db2.gz GORIHRRZDYVRGK-YCPHGPKFSA-N 0 0 367.367 3.015 50 0 FGAARN O=C(c1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(F)cc1 ZINC000000663260 210259895 /nfs/dbraw/zinc/25/98/95/210259895.db2.gz IYDUDHNJLIVXDY-MRXNPFEDSA-N 0 0 352.287 3.435 50 0 FGAARN CC(C)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000000665419 210259267 /nfs/dbraw/zinc/25/92/67/210259267.db2.gz HQFLCNKCPWUZQC-UHFFFAOYSA-N 0 0 364.442 3.354 50 0 FGAARN O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000651257 210258583 /nfs/dbraw/zinc/25/85/83/210258583.db2.gz PIFGYCSWELAVSV-UHFFFAOYSA-N 0 0 358.463 3.042 50 0 FGAARN CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000000650193 210257474 /nfs/dbraw/zinc/25/74/74/210257474.db2.gz XZVKUFVUNHYFFV-UHFFFAOYSA-N 0 0 359.403 3.395 50 0 FGAARN CCOc1c(Cl)c(Cl)ccc1S(=O)(=O)NCc1ccco1 ZINC000000644662 210256994 /nfs/dbraw/zinc/25/69/94/210256994.db2.gz JISAQCAYCWWUJJ-UHFFFAOYSA-N 0 0 350.223 3.464 50 0 FGAARN O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000644195 210256050 /nfs/dbraw/zinc/25/60/50/210256050.db2.gz ZUBXGLYESQUZRN-HNNXBMFYSA-N 0 0 370.408 3.452 50 0 FGAARN COc1ccccc1COC(=O)Cn1c(=O)sc2cccc(Cl)c21 ZINC000000643511 210255778 /nfs/dbraw/zinc/25/57/78/210255778.db2.gz MZFUBPLMSHYZQG-UHFFFAOYSA-N 0 0 363.822 3.468 50 0 FGAARN O=S(=O)(c1ccccc1)n1c2ccccc2cc1[C@H](O)c1cccnc1 ZINC000000633505 210255158 /nfs/dbraw/zinc/25/51/58/210255158.db2.gz ZWZTXERVVCTSDD-HXUWFJFHSA-N 0 0 364.426 3.355 50 0 FGAARN COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCc1ccccc1 ZINC000000634915 210254449 /nfs/dbraw/zinc/25/44/49/210254449.db2.gz XQXGQMIPNHMCIH-SFHVURJKSA-N 0 0 352.390 3.067 50 0 FGAARN COc1ccc(CCNC(=O)CCc2ccc(OC)c(OC)c2)cc1OC ZINC000000638970 210254258 /nfs/dbraw/zinc/25/42/58/210254258.db2.gz CVAPQIIHMCZOBK-UHFFFAOYSA-N 0 0 373.449 3.013 50 0 FGAARN COc1ccc(-c2nc3s/c(=C\c4ccccc4Cl)c(=O)n3n2)cc1 ZINC000000630799 210253203 /nfs/dbraw/zinc/25/32/03/210253203.db2.gz BSXPGYRCIGRJDV-GDNBJRDFSA-N 0 0 369.833 3.028 50 0 FGAARN COc1ccc(N2C(=O)c3ccc(C(=O)OCC(C)C)cc3C2=O)cc1 ZINC000000629841 210252939 /nfs/dbraw/zinc/25/29/39/210252939.db2.gz ONSHXVQJTFLFDT-UHFFFAOYSA-N 0 0 353.374 3.309 50 0 FGAARN Fc1ccc(Cc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1 ZINC000000632836 210252944 /nfs/dbraw/zinc/25/29/44/210252944.db2.gz JEHGDUXAGWBAEY-HNNXBMFYSA-N 0 0 368.393 3.428 50 0 FGAARN CCOC(=O)n1c(NC(=S)Nc2ccc(OC)cc2)nc2c1CCC2 ZINC000000624272 210251257 /nfs/dbraw/zinc/25/12/57/210251257.db2.gz QTZSGRNASZHEOR-UHFFFAOYSA-N 0 0 360.439 3.194 50 0 FGAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009168799 210250147 /nfs/dbraw/zinc/25/01/47/210250147.db2.gz IXFBJPFEUSHRDJ-UHFFFAOYSA-N 0 0 374.462 3.461 50 0 FGAARN CCC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000009203824 210250222 /nfs/dbraw/zinc/25/02/22/210250222.db2.gz PHKGZWISNXYBOD-UHFFFAOYSA-N 0 0 358.463 3.091 50 0 FGAARN CN1CCOc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2C1=O ZINC000009170442 210249925 /nfs/dbraw/zinc/24/99/25/210249925.db2.gz DOCLCHLDJJXIFO-UHFFFAOYSA-N 0 0 364.323 3.422 50 0 FGAARN COc1cccc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)c1 ZINC000009066777 210248615 /nfs/dbraw/zinc/24/86/15/210248615.db2.gz LWZDBLUKXGGDHS-HNNXBMFYSA-N 0 0 371.412 3.005 50 0 FGAARN CC(C)C(=O)N1CCc2ccc(NC(=O)COc3ccccc3F)cc2C1 ZINC000009036135 210247457 /nfs/dbraw/zinc/24/74/57/210247457.db2.gz QLUMRVJMPLZKSL-UHFFFAOYSA-N 0 0 370.424 3.384 50 0 FGAARN O=C(C=Cc1ccccc1)N1CCC(C(=O)Nc2cccc3c[nH]nc32)CC1 ZINC000096794776 210241745 /nfs/dbraw/zinc/24/17/45/210241745.db2.gz JIMGXDLGUJFFPS-KTKRTIGZSA-N 0 0 374.444 3.453 50 0 FGAARN Cc1nc(C2(NC(=O)/C=C\c3c(C)nn(C)c3Cl)CCCCC2)no1 ZINC000096401459 210238608 /nfs/dbraw/zinc/23/86/08/210238608.db2.gz MGUVSUBGSQWVAG-FPLPWBNLSA-N 0 0 363.849 3.062 50 0 FGAARN COc1ccccc1-c1coc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O ZINC000001463829 210227535 /nfs/dbraw/zinc/22/75/35/210227535.db2.gz 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CCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3F)nc21 ZINC000012786578 494258743 /nfs/dbraw/zinc/25/87/43/494258743.db2.gz CSRJISIOLMDLES-UHFFFAOYSA-N 0 0 367.302 3.320 50 0 FGAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000012794430 494259586 /nfs/dbraw/zinc/25/95/86/494259586.db2.gz BNEGWQPSJCEEBG-UHFFFAOYSA-N 0 0 363.866 3.089 50 0 FGAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc(=O)[nH]c1 ZINC000012797341 494259917 /nfs/dbraw/zinc/25/99/17/494259917.db2.gz BJBLHHPDLKXGLI-MRXNPFEDSA-N 0 0 363.442 3.480 50 0 FGAARN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCN(c2ccccc2Cl)CC1 ZINC000012804803 494260869 /nfs/dbraw/zinc/26/08/69/494260869.db2.gz DOOGQHYVCXLDMZ-OAHLLOKOSA-N 0 0 369.852 3.115 50 0 FGAARN O=C1CCc2cc(OS(=O)(=O)c3ccc4ccccc4c3)ccc2N1 ZINC000012815092 494262404 /nfs/dbraw/zinc/26/24/04/494262404.db2.gz AYWXGCSIDYCFGJ-UHFFFAOYSA-N 0 0 353.399 3.492 50 0 FGAARN CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000043130413 494267008 /nfs/dbraw/zinc/26/70/08/494267008.db2.gz 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CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000055006448 494290284 /nfs/dbraw/zinc/29/02/84/494290284.db2.gz XBXLVVQQJGHYCE-OAHLLOKOSA-N 0 0 358.438 3.314 50 0 FGAARN COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(OC)c1 ZINC000055075668 494297430 /nfs/dbraw/zinc/29/74/30/494297430.db2.gz KHPJTLMTFARFGB-RMKNXTFCSA-N 0 0 366.461 3.175 50 0 FGAARN COC(=O)[C@H](NC(=O)Cc1ccc2c(c1)CCCC2)c1ccc(F)cc1F ZINC000089396225 494299965 /nfs/dbraw/zinc/29/99/65/494299965.db2.gz OYRQBWYHMKUOCT-HXUWFJFHSA-N 0 0 373.399 3.417 50 0 FGAARN COc1ccc([C@@H](NC(=O)c2cnn3cccnc23)c2ccccc2)cc1 ZINC000043509238 494301567 /nfs/dbraw/zinc/30/15/67/494301567.db2.gz MYOQZVXZPVIMDJ-IBGZPJMESA-N 0 0 358.401 3.257 50 0 FGAARN O=C(c1ccccc1)N1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 ZINC000055107655 494301723 /nfs/dbraw/zinc/30/17/23/494301723.db2.gz FLMXUOHJRDKEJR-UHFFFAOYSA-N 0 0 358.445 3.102 50 0 FGAARN COCCN(Cc1sccc1C)C(=O)c1scc2c1OCCO2 ZINC000055120386 494304494 /nfs/dbraw/zinc/30/44/94/494304494.db2.gz 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ZINC000055280890 221063898 /nfs/dbraw/zinc/06/38/98/221063898.db2.gz LFGOCFTXQTVVNC-INIZCTEOSA-N 0 0 368.433 3.094 50 0 FGAARN CCOC(=O)c1cn(Cc2c(C)n[nH]c2C)cc(Oc2ccccc2)c1=O ZINC000055270244 221064478 /nfs/dbraw/zinc/06/44/78/221064478.db2.gz CNFNPORXCUAXJG-UHFFFAOYSA-N 0 0 367.405 3.206 50 0 FGAARN COc1ccc(CC[N@H+](C)[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1OC ZINC000055282284 221064495 /nfs/dbraw/zinc/06/44/95/221064495.db2.gz LNXDLOUZHAIWNQ-LJQANCHMSA-N 0 0 361.413 3.452 50 0 FGAARN CCN(Cc1ccncc1)C(=O)CCCCN1Cc2ccccc2C1=O ZINC000055270843 221064606 /nfs/dbraw/zinc/06/46/06/221064606.db2.gz ZXRQLHNEOPCHAP-UHFFFAOYSA-N 0 0 351.450 3.256 50 0 FGAARN COC(=O)C[C@@H](NC(=O)Cc1noc2ccccc12)c1ccc(C)cc1 ZINC000052987211 221042327 /nfs/dbraw/zinc/04/23/27/221042327.db2.gz MLTRYDWKYZLFFW-MRXNPFEDSA-N 0 0 352.390 3.099 50 0 FGAARN Cc1cnn(CCC(=O)N[C@H](C)CCc2ccc(Br)cc2)c1 ZINC000053222256 221043505 /nfs/dbraw/zinc/04/35/05/221043505.db2.gz ULIPXLVMCCGHEQ-CQSZACIVSA-N 0 0 364.287 3.482 50 0 FGAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000053189766 221043680 /nfs/dbraw/zinc/04/36/80/221043680.db2.gz ALXIEKCOWYTTMM-CABCVRRESA-N 0 0 365.886 3.478 50 0 FGAARN Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc4c(c3)OCCCO4)C2=O)cc1 ZINC000053116061 221043785 /nfs/dbraw/zinc/04/37/85/221043785.db2.gz IJPUSQYVPFPACK-KRWDZBQOSA-N 0 0 366.417 3.148 50 0 FGAARN C[C@@H](NC(=O)CCc1cc(F)ccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000053154109 221043993 /nfs/dbraw/zinc/04/39/93/221043993.db2.gz VLSAZOFSROSKKT-GFCCVEGCSA-N 0 0 367.417 3.178 50 0 FGAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000053565588 221047356 /nfs/dbraw/zinc/04/73/56/221047356.db2.gz MRBRHMHBGMRZRJ-HNNXBMFYSA-N 0 0 352.500 3.170 50 0 FGAARN COc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cs2)cc1 ZINC000053600676 221047545 /nfs/dbraw/zinc/04/75/45/221047545.db2.gz VMYJDARADGIMII-KRWDZBQOSA-N 0 0 354.431 3.282 50 0 FGAARN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 ZINC000053565937 221047570 /nfs/dbraw/zinc/04/75/70/221047570.db2.gz NYMJBDHGHHLJKR-UHFFFAOYSA-N 0 0 352.500 3.170 50 0 FGAARN C[C@@H](C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1)n1cncn1 ZINC000053988226 221048970 /nfs/dbraw/zinc/04/89/70/221048970.db2.gz QIWSRVMTBRSBOG-NSHDSACASA-N 0 0 359.817 3.040 50 0 FGAARN COc1ccccc1[C@@H](C)NC(=O)NCCCn1cnc2ccccc21 ZINC000054046902 221049337 /nfs/dbraw/zinc/04/93/37/221049337.db2.gz VBNSOLAPJLXRKF-OAHLLOKOSA-N 0 0 352.438 3.495 50 0 FGAARN COc1ccccc1CC(=O)Nc1ccc(NC(=O)c2cnoc2C)cc1 ZINC000054270125 221050915 /nfs/dbraw/zinc/05/09/15/221050915.db2.gz IJNKCLKITFMYHY-UHFFFAOYSA-N 0 0 365.389 3.425 50 0 FGAARN COc1cc(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)cc(OC)c1OC ZINC000054225444 221051122 /nfs/dbraw/zinc/05/11/22/221051122.db2.gz NQPZIKYBIAPTME-UHFFFAOYSA-N 0 0 371.368 3.290 50 0 FGAARN CSc1nnc(CN(C)Cc2c(F)cccc2F)n1C[C@@H]1CCCO1 ZINC000055308100 221066285 /nfs/dbraw/zinc/06/62/85/221066285.db2.gz UWPZQLNLAZXCGL-LBPRGKRZSA-N 0 0 368.453 3.089 50 0 FGAARN Cc1oncc1C(=O)Nc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000054270448 221052063 /nfs/dbraw/zinc/05/20/63/221052063.db2.gz LOWMESUTTHDVGY-UHFFFAOYSA-N 0 0 351.362 3.253 50 0 FGAARN CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1)c1nc2ccccc2[nH]1 ZINC000054634951 221054336 /nfs/dbraw/zinc/05/43/36/221054336.db2.gz GUSGWZKUYAVMPF-KHYOSLBOSA-N 0 0 370.497 3.271 50 0 FGAARN C/C=C/c1ccc(OCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c(OC)c1 ZINC000054660475 221054469 /nfs/dbraw/zinc/05/44/69/221054469.db2.gz OSYVTLNJHOQBIH-MQDFFIGUSA-N 0 0 371.437 3.205 50 0 FGAARN CC[C@@H](C)NC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1 ZINC000054819588 221055832 /nfs/dbraw/zinc/05/58/32/221055832.db2.gz KELSBGDHMRQMMI-ZWNOBZJWSA-N 0 0 357.248 3.151 50 0 FGAARN CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCN(Cc4ccco4)CC3)c2C1 ZINC000054972847 221056461 /nfs/dbraw/zinc/05/64/61/221056461.db2.gz VOFOWTHQEBCDKU-OAHLLOKOSA-N 0 0 371.481 3.377 50 0 FGAARN CCCC[C@@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1cccnc1 ZINC000055413224 221069850 /nfs/dbraw/zinc/06/98/50/221069850.db2.gz DBFWZZHMZZIWAU-GOSISDBHSA-N 0 0 357.429 3.388 50 0 FGAARN COCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1Cl ZINC000055475155 221070741 /nfs/dbraw/zinc/07/07/41/221070741.db2.gz PYJPWROSKKFHGH-SOFGYWHQSA-N 0 0 362.813 3.270 50 0 FGAARN CNC(=O)c1cccc(NCC(=O)Nc2ccccc2OC(F)F)c1C ZINC000055855146 221075338 /nfs/dbraw/zinc/07/53/38/221075338.db2.gz ZPHUNDZCBCKRHH-UHFFFAOYSA-N 0 0 363.364 3.007 50 0 FGAARN C[C@H]1CCCCN1C(=O)CNc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000055866864 221075689 /nfs/dbraw/zinc/07/56/89/221075689.db2.gz FFHOTHRYCNQQNE-AWEZNQCLSA-N 0 0 363.889 3.389 50 0 FGAARN C[C@H]1CCCN(C(=O)CNc2ccc(Cl)cc2C(=O)N2CCCC2)C1 ZINC000055866846 221075907 /nfs/dbraw/zinc/07/59/07/221075907.db2.gz SWLUGBGYKKBKJQ-AWEZNQCLSA-N 0 0 363.889 3.246 50 0 FGAARN CC(C)Oc1ncc(C(=O)N(Cc2cnn(C)c2)C(C)C)cc1Cl ZINC000056026717 221077499 /nfs/dbraw/zinc/07/74/99/221077499.db2.gz GPPKHWXCRFNYCM-UHFFFAOYSA-N 0 0 350.850 3.307 50 0 FGAARN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(COc2ccccc2)CC1 ZINC000056987674 221082892 /nfs/dbraw/zinc/08/28/92/221082892.db2.gz HPXPHCVTIZWRBT-LJQANCHMSA-N 0 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/nfs/dbraw/zinc/10/17/02/221101702.db2.gz XNMRKJBYYZJWKK-HXUWFJFHSA-N 0 0 365.477 3.098 50 0 FGAARN O=C(CCNC(=O)c1sc2ccccc2c1Cl)NCc1cccnc1 ZINC000058171109 221102679 /nfs/dbraw/zinc/10/26/79/221102679.db2.gz VGEPXQBWDJSNNB-UHFFFAOYSA-N 0 0 373.865 3.386 50 0 FGAARN O=C(Nc1cccc(Cl)c1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000058182518 221103447 /nfs/dbraw/zinc/10/34/47/221103447.db2.gz STTUGHWTQASIRE-QGZVFWFLSA-N 0 0 357.841 3.351 50 0 FGAARN O=C(Nc1cccnc1-n1cncn1)c1cc(F)c(Cl)cc1Cl ZINC000058179836 221103849 /nfs/dbraw/zinc/10/38/49/221103849.db2.gz UYXVNZPCHWDTRS-UHFFFAOYSA-N 0 0 352.156 3.361 50 0 FGAARN COc1ccc(C(=O)[C@H](C)Sc2nc3nc(C)cc(C)n3n2)cc1OC ZINC000058197449 221105097 /nfs/dbraw/zinc/10/50/97/221105097.db2.gz RXVUAXWSDIDCEW-LBPRGKRZSA-N 0 0 372.450 3.122 50 0 FGAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C)cc1OC ZINC000058197352 221105657 /nfs/dbraw/zinc/10/56/57/221105657.db2.gz GCPZTNFJMCZIFT-NSHDSACASA-N 0 0 373.434 3.456 50 0 FGAARN CC(=O)N1CCC[C@H](C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)C1 ZINC000058202822 221106169 /nfs/dbraw/zinc/10/61/69/221106169.db2.gz HPGXKVCNRJXRCP-AWEZNQCLSA-N 0 0 371.462 3.197 50 0 FGAARN CC(=O)c1c[nH]c(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1 ZINC000058202497 221106216 /nfs/dbraw/zinc/10/62/16/221106216.db2.gz VQVIYVBMAPXFQJ-UHFFFAOYSA-N 0 0 353.353 3.474 50 0 FGAARN Cc1ccc(C(=O)N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)s1 ZINC000058202992 221106575 /nfs/dbraw/zinc/10/65/75/221106575.db2.gz SPSWJBDPVZCRGW-UHFFFAOYSA-N 0 0 370.474 3.004 50 0 FGAARN CCc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)Nc3ncccc3C)C2)c1 ZINC000058216760 221108377 /nfs/dbraw/zinc/10/83/77/221108377.db2.gz IJBZGFIJACSYEN-INIZCTEOSA-N 0 0 367.449 3.149 50 0 FGAARN CC(C)C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1cccs1 ZINC000058214223 221108431 /nfs/dbraw/zinc/10/84/31/221108431.db2.gz SDIQXMQQAYOXOY-OAHLLOKOSA-N 0 0 358.463 3.473 50 0 FGAARN COc1ccc(Br)c(NC(=O)[C@@H]2COc3ccccc3O2)c1 ZINC000058217880 221108577 /nfs/dbraw/zinc/10/85/77/221108577.db2.gz 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/nfs/dbraw/zinc/09/11/31/221091131.db2.gz SLKDTTXOCAEHIF-UHFFFAOYSA-N 0 0 356.451 3.022 50 0 FGAARN C[C@H](CCc1ccco1)NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000057577954 221092086 /nfs/dbraw/zinc/09/20/86/221092086.db2.gz WDPHPBYGRDEVEK-LLVKDONJSA-N 0 0 355.843 3.088 50 0 FGAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C(=O)N(C)C)C(C)C)n[nH]1 ZINC000057811032 221094358 /nfs/dbraw/zinc/09/43/58/221094358.db2.gz LQNCEWHDKNFFME-CYBMUJFWSA-N 0 0 368.890 3.339 50 0 FGAARN O=C(Nc1cn[nH]c1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058006990 221096835 /nfs/dbraw/zinc/09/68/35/221096835.db2.gz PAFPDCMXAGLFHH-UHFFFAOYSA-N 0 0 372.379 3.490 50 0 FGAARN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(Cl)ccc2O)CC1 ZINC000058004642 221097075 /nfs/dbraw/zinc/09/70/75/221097075.db2.gz JGFVCIZZDIFVIX-UHFFFAOYSA-N 0 0 354.834 3.129 50 0 FGAARN CCN1C[C@H](CN(C)C(=O)c2ccc(OC)c(F)c2)Oc2ccccc21 ZINC000058079777 221098147 /nfs/dbraw/zinc/09/81/47/221098147.db2.gz CRDPLOMKHIPHIT-HNNXBMFYSA-N 0 0 358.413 3.194 50 0 FGAARN COc1cc(NC(=O)OCC(F)(F)F)ccc1NC(=O)c1cccnc1 ZINC000058159389 221100313 /nfs/dbraw/zinc/10/03/13/221100313.db2.gz ULAGGZKZKWPRAE-UHFFFAOYSA-N 0 0 369.299 3.453 50 0 FGAARN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cnc2ccccc2n1 ZINC000059309321 221125720 /nfs/dbraw/zinc/12/57/20/221125720.db2.gz DBPRXUHGKDRPLX-UHFFFAOYSA-N 0 0 361.323 3.457 50 0 FGAARN Cc1sc2ncnc(NCc3cccc(OCC(=O)N(C)C)c3)c2c1C ZINC000059392365 221126946 /nfs/dbraw/zinc/12/69/46/221126946.db2.gz KYNBTEWDOSBZJA-UHFFFAOYSA-N 0 0 370.478 3.387 50 0 FGAARN CC(C)(C)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 ZINC000061718926 221134579 /nfs/dbraw/zinc/13/45/79/221134579.db2.gz GNPRJTVWQCYJNK-UHFFFAOYSA-N 0 0 351.406 3.440 50 0 FGAARN NC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nc1 ZINC000058244753 221110209 /nfs/dbraw/zinc/11/02/09/221110209.db2.gz ZHNJAEJYAOCMOZ-UHFFFAOYSA-N 0 0 358.810 3.210 50 0 FGAARN CC[C@H](NC(=O)CNC(=O)c1ccccc1)c1nc(-c2ccccc2)c[nH]1 ZINC000058227689 221110274 /nfs/dbraw/zinc/11/02/74/221110274.db2.gz 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COC(=O)c1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)oc1C ZINC000009157205 204357428 /nfs/dbraw/zinc/35/74/28/204357428.db2.gz BJLZFEQOFQGDNM-SCLBCKFNSA-N 0 0 370.405 3.120 50 0 FGAARN CCC(=O)Nc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000009230786 204359869 /nfs/dbraw/zinc/35/98/69/204359869.db2.gz ZYRGGTPMOSLFCB-UHFFFAOYSA-N 0 0 358.394 3.313 50 0 FGAARN Cc1ccc(O)c(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)c1 ZINC000009295422 204360470 /nfs/dbraw/zinc/36/04/70/204360470.db2.gz BSYMJDFQASPUII-UHFFFAOYSA-N 0 0 369.450 3.024 50 0 FGAARN C=C1C(Nc2ccc(OC)c(OC)c2)=NS(=O)(=O)C1c1ccccc1 ZINC000009251852 204360695 /nfs/dbraw/zinc/36/06/95/204360695.db2.gz CSJBKXHLOHLZHL-UHFFFAOYSA-N 0 0 358.419 3.289 50 0 FGAARN Cc1ccc(-n2nnnc2COc2ccc3c(C)cc(=O)oc3c2)c(C)c1 ZINC000009304372 204360876 /nfs/dbraw/zinc/36/08/76/204360876.db2.gz RLJDYKZFKCRPPA-UHFFFAOYSA-N 0 0 362.389 3.273 50 0 FGAARN Cc1ccc(F)c(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)c1 ZINC000009295429 204361042 /nfs/dbraw/zinc/36/10/42/204361042.db2.gz 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/nfs/dbraw/zinc/36/47/37/204364737.db2.gz VABHNYRQEAKXLK-UHFFFAOYSA-N 0 0 372.465 3.470 50 0 FGAARN CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 ZINC000009364921 204364948 /nfs/dbraw/zinc/36/49/48/204364948.db2.gz USCFFYOBJZROTD-SNVBAGLBSA-N 0 0 355.419 3.330 50 0 FGAARN COc1ccc([C@@H](CC(=O)Nc2ccc3c(c2)CCC3)NC(C)=O)cc1 ZINC000009364379 204365220 /nfs/dbraw/zinc/36/52/20/204365220.db2.gz SEGVADGWZDMKJM-HXUWFJFHSA-N 0 0 352.434 3.390 50 0 FGAARN CCN(C(=O)CSc1nnc2[nH]c3ccccc3n21)c1ccc(F)cc1 ZINC000009366861 204365709 /nfs/dbraw/zinc/36/57/09/204365709.db2.gz CXCKXRVQAFDFRA-UHFFFAOYSA-N 0 0 369.425 3.495 50 0 FGAARN O=C(Nc1ccccn1)c1oc2ccccc2c1CSc1nc[nH]n1 ZINC000009368289 204365976 /nfs/dbraw/zinc/36/59/76/204365976.db2.gz VTYMCLKWDKMEFJ-UHFFFAOYSA-N 0 0 351.391 3.491 50 0 FGAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)Cc2cccc(F)c2)c1 ZINC000009457615 204367975 /nfs/dbraw/zinc/36/79/75/204367975.db2.gz WNKYOYYXJQKFGU-UHFFFAOYSA-N 0 0 357.385 3.015 50 0 FGAARN CCc1nnc(NC(=O)CSCc2cc(OC)c(OC)cc2C)s1 ZINC000009451984 204368141 /nfs/dbraw/zinc/36/81/41/204368141.db2.gz TTZZLFNBBDSZKL-UHFFFAOYSA-N 0 0 367.496 3.298 50 0 FGAARN Cc1ccc(OCCN(C)C(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000009450299 204368371 /nfs/dbraw/zinc/36/83/71/204368371.db2.gz LDFLSBAIJJPDJA-UHFFFAOYSA-N 0 0 352.434 3.273 50 0 FGAARN Cc1cc(C)c(NC(=O)CN(C)C[C@H]2COc3ccccc3O2)c(C)c1 ZINC000009451580 204368691 /nfs/dbraw/zinc/36/86/91/204368691.db2.gz WZYIXCUWNZAMKQ-KRWDZBQOSA-N 0 0 354.450 3.322 50 0 FGAARN CC(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000009477018 204369506 /nfs/dbraw/zinc/36/95/06/204369506.db2.gz BBYHUWKFIMOTKD-KRWDZBQOSA-N 0 0 369.421 3.447 50 0 FGAARN CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(Br)cc1 ZINC000009483274 204370072 /nfs/dbraw/zinc/37/00/72/204370072.db2.gz FLDNXFYFOVSBQZ-UHFFFAOYSA-N 0 0 370.224 3.175 50 0 FGAARN C[C@H]1C[C@@H](Sc2nnc(-c3ccco3)n2Cc2ccccc2)C(=O)O1 ZINC000009477205 204370107 /nfs/dbraw/zinc/37/01/07/204370107.db2.gz 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/nfs/dbraw/zinc/37/56/55/204375655.db2.gz JXYYOGNKPGIYEV-UHFFFAOYSA-N 0 0 371.824 3.236 50 0 FGAARN CC(=O)Oc1ccc(Cl)cc1C1=NN(C(C)=O)[C@@](C)(c2ccco2)O1 ZINC000009586664 204375996 /nfs/dbraw/zinc/37/59/96/204375996.db2.gz FFGYXBMUOPUZCQ-QGZVFWFLSA-N 0 0 362.769 3.272 50 0 FGAARN COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)N1CCCCC1 ZINC000009645814 204377232 /nfs/dbraw/zinc/37/72/32/204377232.db2.gz VJTJATOWSMFZBI-UHFFFAOYSA-N 0 0 365.476 3.376 50 0 FGAARN C[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)C1 ZINC000008708658 204340364 /nfs/dbraw/zinc/34/03/64/204340364.db2.gz YUHSLCANUVTLQQ-IUODEOHRSA-N 0 0 369.387 3.025 50 0 FGAARN C[C@H]1CCc2c(sc(NC(=O)c3cccc(N(C)C)c3)c2C(N)=O)C1 ZINC000008725916 204340801 /nfs/dbraw/zinc/34/08/01/204340801.db2.gz GITMBFGLCUCIOO-NSHDSACASA-N 0 0 357.479 3.290 50 0 FGAARN C[C@]1(C2CC2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O ZINC000008745479 204342326 /nfs/dbraw/zinc/34/23/26/204342326.db2.gz KSHGMJYRVAAPDD-OAQYLSRUSA-N 0 0 363.417 3.159 50 0 FGAARN O=C(CCc1nc2ccccc2s1)NCc1ccc2c(c1)OCCO2 ZINC000008734505 204343012 /nfs/dbraw/zinc/34/30/12/204343012.db2.gz ONYJZRVSVHWCMX-UHFFFAOYSA-N 0 0 354.431 3.317 50 0 FGAARN Cc1ccc(C)c(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c1 ZINC000008754591 204343288 /nfs/dbraw/zinc/34/32/88/204343288.db2.gz AAFPOGBPEDOPIZ-UHFFFAOYSA-N 0 0 366.508 3.404 50 0 FGAARN Cc1ccc([C@@H](C)NC(=O)COc2ccc(Cl)cc2C(N)=O)cc1C ZINC000008749209 204343632 /nfs/dbraw/zinc/34/36/32/204343632.db2.gz BWBWFLHJXQIIFK-CYBMUJFWSA-N 0 0 360.841 3.312 50 0 FGAARN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2c(C)cccc2C)c1 ZINC000008749694 204343799 /nfs/dbraw/zinc/34/37/99/204343799.db2.gz JSGVRLNGEXNTGG-CQSZACIVSA-N 0 0 354.406 3.446 50 0 FGAARN O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(Br)o1 ZINC000010644065 204399989 /nfs/dbraw/zinc/39/99/89/204399989.db2.gz HROZSVAYHWOHAL-LBPRGKRZSA-N 0 0 360.211 3.479 50 0 FGAARN CNC(=O)c1cccc(NC(=O)c2csc(Br)c2)c1C ZINC000036390864 204379133 /nfs/dbraw/zinc/37/91/33/204379133.db2.gz MNGVVUVPLFUCED-UHFFFAOYSA-N 0 0 353.241 3.431 50 0 FGAARN COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3nccs3)n[nH]2)cc1 ZINC000009699130 204379883 /nfs/dbraw/zinc/37/98/83/204379883.db2.gz UNVJTANXJVZVCN-VIFPVBQESA-N 0 0 361.452 3.056 50 0 FGAARN Cc1nc(-n2cccc2)sc1C(=O)NCc1cc(-c2ccco2)on1 ZINC000036662447 204381851 /nfs/dbraw/zinc/38/18/51/204381851.db2.gz WEYWBGSYQDCWTM-UHFFFAOYSA-N 0 0 354.391 3.420 50 0 FGAARN COc1ccccc1C(=O)NCCCCN1CCO[C@@H](c2ccccc2)C1 ZINC000036700079 204381859 /nfs/dbraw/zinc/38/18/59/204381859.db2.gz FQDUZIWCLHVMCU-OAQYLSRUSA-N 0 0 368.477 3.279 50 0 FGAARN COCCNC(=O)Nc1nc(CSCc2ccc(F)cc2)cs1 ZINC000036662231 204382189 /nfs/dbraw/zinc/38/21/89/204382189.db2.gz SEALYAVJSTYLQP-UHFFFAOYSA-N 0 0 355.460 3.484 50 0 FGAARN COc1ccc(-c2csc(NC(=O)c3ccc4n[nH]nc4c3)n2)cc1F ZINC000009802897 204382220 /nfs/dbraw/zinc/38/22/20/204382220.db2.gz SPWAWBVCGCTXSI-UHFFFAOYSA-N 0 0 369.381 3.481 50 0 FGAARN CC(=O)Nc1ccc(NC(=O)CCc2c(C)nc3cc(C)nn3c2C)cc1 ZINC000009834743 204384069 /nfs/dbraw/zinc/38/40/69/204384069.db2.gz 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/nfs/dbraw/zinc/39/26/92/204392692.db2.gz SNDQIBQKMVADLI-CQSZACIVSA-N 0 0 358.463 3.077 50 0 FGAARN CCOc1ccc(-c2noc(-c3nnn(-c4cccc(F)c4)c3N)n2)cc1 ZINC000010273090 204393240 /nfs/dbraw/zinc/39/32/40/204393240.db2.gz BBQWMYHFUPEPPN-UHFFFAOYSA-N 0 0 366.356 3.104 50 0 FGAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000010288144 204393358 /nfs/dbraw/zinc/39/33/58/204393358.db2.gz FSNRUVIQEGJKNS-GFCCVEGCSA-N 0 0 353.344 3.295 50 0 FGAARN COC(=O)c1cccc(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000010291878 204393401 /nfs/dbraw/zinc/39/34/01/204393401.db2.gz COQDMQGWCAICMW-GOSISDBHSA-N 0 0 355.390 3.283 50 0 FGAARN O=C(NCc1ccc(Cl)cc1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000010327246 204395072 /nfs/dbraw/zinc/39/50/72/204395072.db2.gz KRKJYBUOVORDNY-UHFFFAOYSA-N 0 0 373.865 3.218 50 0 FGAARN C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(N)=O ZINC000010385154 204396146 /nfs/dbraw/zinc/39/61/46/204396146.db2.gz CFDBVSOJVZNRCJ-LXKVQUBZSA-N 0 0 367.430 3.031 50 0 FGAARN CC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000010471244 204397407 /nfs/dbraw/zinc/39/74/07/204397407.db2.gz DLSXYEZEHDDXOT-UHFFFAOYSA-N 0 0 368.433 3.199 50 0 FGAARN CN(C)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000010505804 204398297 /nfs/dbraw/zinc/39/82/97/204398297.db2.gz KSJAIAPWDUMZLR-INIZCTEOSA-N 0 0 356.850 3.060 50 0 FGAARN O=C(c1ccoc1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000012076172 204429559 /nfs/dbraw/zinc/42/95/59/204429559.db2.gz IGKXTYURYAZXAS-HXUWFJFHSA-N 0 0 356.397 3.074 50 0 FGAARN O=C(NCC1(O)CCCCC1)c1csc2nc(-c3ccccc3)cn12 ZINC000011934250 204422324 /nfs/dbraw/zinc/42/23/24/204422324.db2.gz ZRKKQCZJKMUNEC-UHFFFAOYSA-N 0 0 355.463 3.488 50 0 FGAARN COc1ccc(CCC(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000012075090 204429343 /nfs/dbraw/zinc/42/93/43/204429343.db2.gz RAJILEUYFCZQKK-LJQANCHMSA-N 0 0 372.509 3.269 50 0 FGAARN CCCOc1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000012252289 204446352 /nfs/dbraw/zinc/44/63/52/204446352.db2.gz 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CCOC(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000030952968 204913392 /nfs/dbraw/zinc/91/33/92/204913392.db2.gz QBCAUTFGSIDLGB-UHFFFAOYSA-N 0 0 364.873 3.453 50 0 FGAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnn(-c2ccccc2)n1 ZINC000032848520 204941303 /nfs/dbraw/zinc/94/13/03/204941303.db2.gz CJQDEGMRODKDBX-UHFFFAOYSA-N 0 0 370.796 3.334 50 0 FGAARN Cc1ccc(-c2noc(CCCSc3nnnn3C(C)C)n2)cc1F ZINC000032901381 204944937 /nfs/dbraw/zinc/94/49/37/204944937.db2.gz LGIZIUNBBOSMIQ-UHFFFAOYSA-N 0 0 362.434 3.476 50 0 FGAARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC[C@@H]1CCCO1 ZINC000032945278 204947737 /nfs/dbraw/zinc/94/77/37/204947737.db2.gz FEKWBXLQOBVAND-GWCFXTLKSA-N 0 0 367.858 3.166 50 0 FGAARN Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000032976431 204950385 /nfs/dbraw/zinc/95/03/85/204950385.db2.gz JEYOSHKOAXVMSC-UHFFFAOYSA-N 0 0 352.438 3.016 50 0 FGAARN CC(C)NC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995190 204951918 /nfs/dbraw/zinc/95/19/18/204951918.db2.gz SAJSJSBCVYMTHH-UHFFFAOYSA-N 0 0 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CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000006779207 204268898 /nfs/dbraw/zinc/26/88/98/204268898.db2.gz ZJOYGJFEYZOUED-LLVKDONJSA-N 0 0 362.476 3.483 50 0 FGAARN COCC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000006776800 204269100 /nfs/dbraw/zinc/26/91/00/204269100.db2.gz SFYCMGBQCPOABM-IBGZPJMESA-N 0 0 352.434 3.163 50 0 FGAARN CC(=O)Nc1ccc(NC(=O)COCc2nc3ccccc3s2)cc1 ZINC000006788894 204270002 /nfs/dbraw/zinc/27/00/02/204270002.db2.gz XQUGBANVMXTUII-UHFFFAOYSA-N 0 0 355.419 3.410 50 0 FGAARN O=C(CCCn1c(=O)c2cccn2c2cccnc21)Nc1cccc(F)c1 ZINC000006797462 204271304 /nfs/dbraw/zinc/27/13/04/204271304.db2.gz BXOYXYBTLFFZIZ-UHFFFAOYSA-N 0 0 364.380 3.207 50 0 FGAARN Cc1ccccc1OCc1nc2c3cnn(-c4ccccc4F)c3ncn2n1 ZINC000006810155 204272290 /nfs/dbraw/zinc/27/22/90/204272290.db2.gz SIDFWZNFTOCTQV-UHFFFAOYSA-N 0 0 374.379 3.490 50 0 FGAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(-n2cccc2)c1 ZINC000006830648 204274692 /nfs/dbraw/zinc/27/46/92/204274692.db2.gz DCZMNWIYMARZBU-UHFFFAOYSA-N 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CCc1ccc(OCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 ZINC000007759580 204305278 /nfs/dbraw/zinc/30/52/78/204305278.db2.gz WVKYBDMZKLWJDN-UHFFFAOYSA-N 0 0 351.406 3.336 50 0 FGAARN Cc1ccc(C)c(C(=O)CCC(=O)OCN2C(=O)c3ccccc3C2=O)c1 ZINC000007737416 204306231 /nfs/dbraw/zinc/30/62/31/204306231.db2.gz MEFVSSQKIPJAQU-UHFFFAOYSA-N 0 0 365.385 3.063 50 0 FGAARN Cc1sc(NC(=O)CNC(=O)C(C)(C)C)nc1-c1ccc(F)c(F)c1 ZINC000007780227 204306893 /nfs/dbraw/zinc/30/68/93/204306893.db2.gz GFSLXAKCQGBASZ-UHFFFAOYSA-N 0 0 367.421 3.498 50 0 FGAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)c1cnc2ccccc2n1 ZINC000007780562 204307086 /nfs/dbraw/zinc/30/70/86/204307086.db2.gz AMFMVPZBGCOPFF-UHFFFAOYSA-N 0 0 370.412 3.494 50 0 FGAARN Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1NC(=O)c1ccco1 ZINC000007770700 204307232 /nfs/dbraw/zinc/30/72/32/204307232.db2.gz DOCMLFYYQFRUAG-UHFFFAOYSA-N 0 0 363.373 3.192 50 0 FGAARN CCn1c(SCC(=O)Nc2nc3ccccc3[nH]2)nnc1-c1ccco1 ZINC000007983361 204313056 /nfs/dbraw/zinc/31/30/56/204313056.db2.gz 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204316606 /nfs/dbraw/zinc/31/66/06/204316606.db2.gz QGRZFTXQYAPCQX-UHFFFAOYSA-N 0 0 351.362 3.079 50 0 FGAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccc(Cl)c1 ZINC000008072078 204316736 /nfs/dbraw/zinc/31/67/36/204316736.db2.gz MLDVAQKZFAZYSR-UHFFFAOYSA-N 0 0 371.868 3.303 50 0 FGAARN O=C(CSc1nc2ccccc2o1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008074528 204317186 /nfs/dbraw/zinc/31/71/86/204317186.db2.gz CGMGPFKDCFOTAS-UHFFFAOYSA-N 0 0 367.430 3.451 50 0 FGAARN O=C(Cc1nc(-c2ccc3c(c2)OCO3)cs1)NCc1ccccc1 ZINC000008103190 204317807 /nfs/dbraw/zinc/31/78/07/204317807.db2.gz WVYSPODUDOUHDZ-UHFFFAOYSA-N 0 0 352.415 3.398 50 0 FGAARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1Cl ZINC000008078676 204318232 /nfs/dbraw/zinc/31/82/32/204318232.db2.gz SEDNHJZXGZHUDK-UHFFFAOYSA-N 0 0 363.197 3.032 50 0 FGAARN C[C@H](NC(=O)CNC(=O)c1cccs1)c1ccccc1Br ZINC000008088482 204318321 /nfs/dbraw/zinc/31/83/21/204318321.db2.gz OBRRUJNCQUAIKR-JTQLQIEISA-N 0 0 367.268 3.118 50 0 FGAARN 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493923222 /nfs/dbraw/zinc/92/32/22/493923222.db2.gz KNQWRWZMDRIDSB-UHFFFAOYSA-N 0 0 362.426 3.099 50 0 FGAARN CCCc1ccc(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)cc1 ZINC000060365386 493927087 /nfs/dbraw/zinc/92/70/87/493927087.db2.gz HVIUBVQLTPHTPC-UHFFFAOYSA-N 0 0 351.410 3.184 50 0 FGAARN COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccccc2OC)C(C)C)cc1 ZINC000069157659 493929844 /nfs/dbraw/zinc/92/98/44/493929844.db2.gz VYOHCVIEXAUQMW-GOSISDBHSA-N 0 0 356.422 3.097 50 0 FGAARN COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000005635882 493938390 /nfs/dbraw/zinc/93/83/90/493938390.db2.gz SDYBQSXBUSRWPY-UHFFFAOYSA-N 0 0 374.462 3.122 50 0 FGAARN O=C1c2ccccc2/C(=C\NCc2ccccn2)C(=O)N1c1ccccc1 ZINC000005706259 493940431 /nfs/dbraw/zinc/94/04/31/493940431.db2.gz QAJWZGYXOSFIFG-HMMYKYKNSA-N 0 0 355.397 3.399 50 0 FGAARN COc1ccc(/C=C\C(=O)N2CCN(c3ccccc3)CC2)cc1OC ZINC000005695545 493940562 /nfs/dbraw/zinc/94/05/62/493940562.db2.gz DJASSNAQTYVFBR-LUAWRHEFSA-N 0 0 352.434 3.066 50 0 FGAARN Cc1sc2nc(NC[C@@H](C)O)n3nc(Cc4ccccc4)nc3c2c1C ZINC000032096713 493975081 /nfs/dbraw/zinc/97/50/81/493975081.db2.gz CEYCSUYABMEQTG-LLVKDONJSA-N 0 0 367.478 3.339 50 0 FGAARN CCc1ccccc1N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000006697969 493975212 /nfs/dbraw/zinc/97/52/12/493975212.db2.gz RSUJZABJLVQLBC-UHFFFAOYSA-N 0 0 364.898 3.413 50 0 FGAARN COC(=O)[C@H](CCSC)NC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000032097410 493975436 /nfs/dbraw/zinc/97/54/36/493975436.db2.gz UCMXKZPMKDIQOP-HNNXBMFYSA-N 0 0 366.870 3.155 50 0 FGAARN COc1ccc(-n2nc(C)c3c2NC(=O)C[C@@H]3c2cccc(F)c2F)nn1 ZINC000032103374 493976295 /nfs/dbraw/zinc/97/62/95/493976295.db2.gz KXJYJGVIEOXHMB-LLVKDONJSA-N 0 0 371.347 3.381 50 0 FGAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1Cc2ccccc2[C@H](O)C1 ZINC000082097172 493978392 /nfs/dbraw/zinc/97/83/92/493978392.db2.gz RCGVIHJYJOQPSC-LJQANCHMSA-N 0 0 365.408 3.318 50 0 FGAARN CO[C@@H](C(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccccc1 ZINC000082098594 493978608 /nfs/dbraw/zinc/97/86/08/493978608.db2.gz DQBSNDBHDRBUIN-LJQANCHMSA-N 0 0 368.481 3.098 50 0 FGAARN C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 ZINC000032282681 493979213 /nfs/dbraw/zinc/97/92/13/493979213.db2.gz SVEKOOPXQNFOPE-CQSZACIVSA-N 0 0 369.417 3.387 50 0 FGAARN COc1ccccc1CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000006790237 493979986 /nfs/dbraw/zinc/97/99/86/493979986.db2.gz QSFTYJYFTTZVRF-UHFFFAOYSA-N 0 0 360.841 3.366 50 0 FGAARN Cc1ccccc1CNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21 ZINC000006798350 493980796 /nfs/dbraw/zinc/98/07/96/493980796.db2.gz LTECSLRNEXUJGM-MRXNPFEDSA-N 0 0 352.434 3.206 50 0 FGAARN CCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2C)CC1 ZINC000006801482 493980852 /nfs/dbraw/zinc/98/08/52/493980852.db2.gz DDOHHVHUWIXWGK-UHFFFAOYSA-N 0 0 352.482 3.051 50 0 FGAARN CCCNC(=O)C1CCN(C(=O)N2C[C@H](CC)Oc3ccc(C)cc32)CC1 ZINC000006846969 493983348 /nfs/dbraw/zinc/98/33/48/493983348.db2.gz LUXBOTPFQFLVAP-KRWDZBQOSA-N 0 0 373.497 3.331 50 0 FGAARN CSc1ncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)n1 ZINC000006900282 493986144 /nfs/dbraw/zinc/98/61/44/493986144.db2.gz ZLVVTXHKDJYHED-UHFFFAOYSA-N 0 0 362.886 3.123 50 0 FGAARN CCCOc1cccc([C@@H](C)NS(=O)(=O)c2cccc3nonc32)c1 ZINC000032578704 493997665 /nfs/dbraw/zinc/99/76/65/493997665.db2.gz LIPMMFPJDSCAQU-GFCCVEGCSA-N 0 0 361.423 3.051 50 0 FGAARN Cn1ccnc1CN1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000032590145 493998345 /nfs/dbraw/zinc/99/83/45/493998345.db2.gz RMGQHUWZVKKUNY-KRWDZBQOSA-N 0 0 367.478 3.147 50 0 FGAARN CCOc1ccccc1CNC(=O)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000062007231 494001204 /nfs/dbraw/zinc/00/12/04/494001204.db2.gz XBWDAWCOVIVPIA-UHFFFAOYSA-N 0 0 351.406 3.303 50 0 FGAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC(n2cccc2)CC1 ZINC000069724081 494002694 /nfs/dbraw/zinc/00/26/94/494002694.db2.gz SAKKEYWDJAHQDH-GOSISDBHSA-N 0 0 352.482 3.361 50 0 FGAARN CCSc1nnc(NC(=O)CSc2nnc(-c3ccco3)o2)s1 ZINC000032699187 494006168 /nfs/dbraw/zinc/00/61/68/494006168.db2.gz PWJLSBDAWWPAED-UHFFFAOYSA-N 0 0 369.453 3.024 50 0 FGAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000032722688 494007987 /nfs/dbraw/zinc/00/79/87/494007987.db2.gz STQXXCYVQBUQQE-VMPITWQZSA-N 0 0 353.374 3.206 50 0 FGAARN Cc1ccc([C@@H]2CCCN2C(=O)Cn2nc(C)c3ccccc3c2=O)cc1 ZINC000032754148 494012415 /nfs/dbraw/zinc/01/24/15/494012415.db2.gz ZDTDGHUDTZDTRC-FQEVSTJZSA-N 0 0 361.445 3.377 50 0 FGAARN O=C(CCSCCOc1ccc(F)cc1)NC(=O)NC1CCCC1 ZINC000032778673 494016249 /nfs/dbraw/zinc/01/62/49/494016249.db2.gz GTKKJDRTKXSKEZ-UHFFFAOYSA-N 0 0 354.447 3.096 50 0 FGAARN Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c2c1 ZINC000032814752 494018900 /nfs/dbraw/zinc/01/89/00/494018900.db2.gz LFXYUQNLTIHMIG-OAHLLOKOSA-N 0 0 362.433 3.362 50 0 FGAARN O=C(/C=C/c1ccccc1OC(F)F)N1CCN(Cc2ccccn2)CC1 ZINC000032822938 494019797 /nfs/dbraw/zinc/01/97/97/494019797.db2.gz KGHWWRFARRPIRO-CMDGGOBGSA-N 0 0 373.403 3.041 50 0 FGAARN Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000032869462 494022641 /nfs/dbraw/zinc/02/26/41/494022641.db2.gz KWAHVEHFRNDUQC-SNVBAGLBSA-N 0 0 350.777 3.292 50 0 FGAARN Cc1nn(C)c(C)c1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000032879878 494023954 /nfs/dbraw/zinc/02/39/54/494023954.db2.gz OHTDBOPBOKESGO-UHFFFAOYSA-N 0 0 353.401 3.103 50 0 FGAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(N3CCCC3=O)cc2)c1C ZINC000032888546 494024096 /nfs/dbraw/zinc/02/40/96/494024096.db2.gz NHOLDNVQYXSBFH-UHFFFAOYSA-N 0 0 354.406 3.223 50 0 FGAARN CCN(CC)C(=O)CN(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000032893613 494024543 /nfs/dbraw/zinc/02/45/43/494024543.db2.gz QBZFZJIQFLQNKS-UHFFFAOYSA-N 0 0 365.886 3.404 50 0 FGAARN CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(Cl)c1 ZINC000007493919 494025900 /nfs/dbraw/zinc/02/59/00/494025900.db2.gz KLRKTQSRQWWNSK-UHFFFAOYSA-N 0 0 373.884 3.247 50 0 FGAARN C[C@H](Sc1nc2ccccc2n1C)C(=O)NC(=O)NC1CCCCC1 ZINC000032910537 494026398 /nfs/dbraw/zinc/02/63/98/494026398.db2.gz GJFPTTVTIOLQCT-LBPRGKRZSA-N 0 0 360.483 3.212 50 0 FGAARN CC(=O)c1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1 ZINC000032906680 494026592 /nfs/dbraw/zinc/02/65/92/494026592.db2.gz KIFYQSVQJSDJNE-UHFFFAOYSA-N 0 0 365.433 3.176 50 0 FGAARN CCOc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 ZINC000032910527 494026606 /nfs/dbraw/zinc/02/66/06/494026606.db2.gz NFFUCECZQSSLAK-LSDHHAIUSA-N 0 0 369.417 3.018 50 0 FGAARN Cc1ccc(OCC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000032915963 494027371 /nfs/dbraw/zinc/02/73/71/494027371.db2.gz XHMZZJVUOVUWGE-UHFFFAOYSA-N 0 0 362.470 3.232 50 0 FGAARN Cc1ccc(CCC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1Cl ZINC000032913186 494027738 /nfs/dbraw/zinc/02/77/38/494027738.db2.gz HMSZBLDPHDUSRT-UHFFFAOYSA-N 0 0 371.868 3.156 50 0 FGAARN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000032913011 494027972 /nfs/dbraw/zinc/02/79/72/494027972.db2.gz BKGGTKGLELOJKK-ZDUSSCGKSA-N 0 0 360.845 3.302 50 0 FGAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(SC(F)F)cc1)CS2 ZINC000007598157 494028635 /nfs/dbraw/zinc/02/86/35/494028635.db2.gz NLUWPCXJGKNHBO-NHYWBVRUSA-N 0 0 358.435 3.394 50 0 FGAARN CCOCCCNC(=O)c1ccc(C)c(-n2c(C)nc3cccnc32)c1 ZINC000032932017 494029519 /nfs/dbraw/zinc/02/95/19/494029519.db2.gz QMVWIDRIGIHJTI-UHFFFAOYSA-N 0 0 352.438 3.194 50 0 FGAARN O=C(CCc1nc(Cc2ccccc2)no1)NCCc1ccc(F)cc1 ZINC000032930871 494029829 /nfs/dbraw/zinc/02/98/29/494029829.db2.gz RGWQFLFHDRZINN-UHFFFAOYSA-N 0 0 353.397 3.091 50 0 FGAARN Cc1ccc(C)c(CS(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000032929577 494030106 /nfs/dbraw/zinc/03/01/06/494030106.db2.gz XVFIOMLFFNBABM-JFIYKMOQSA-N 0 0 351.512 3.302 50 0 FGAARN C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000007631635 494031172 /nfs/dbraw/zinc/03/11/72/494031172.db2.gz GKYLWEFZVPHYLE-LLVKDONJSA-N 0 0 367.323 3.382 50 0 FGAARN CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 ZINC000007636555 494031383 /nfs/dbraw/zinc/03/13/83/494031383.db2.gz LKAVIIJQDFGXPA-CYBMUJFWSA-N 0 0 370.405 3.221 50 0 FGAARN CC(C)NC(=O)N[C@@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948941 494031808 /nfs/dbraw/zinc/03/18/08/494031808.db2.gz IIYCWSFHOGAZEY-KRWDZBQOSA-N 0 0 358.413 3.416 50 0 FGAARN CC1CCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)CC1 ZINC000032943575 494031928 /nfs/dbraw/zinc/03/19/28/494031928.db2.gz FBPWRTVVMTWAND-UHFFFAOYSA-N 0 0 359.495 3.256 50 0 FGAARN Cn1cc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000069963711 494032248 /nfs/dbraw/zinc/03/22/48/494032248.db2.gz RTVALERXXGCRNF-GVDBMIGSSA-N 0 0 361.392 3.319 50 0 FGAARN Cn1nccc1C(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000032960904 494032329 /nfs/dbraw/zinc/03/23/29/494032329.db2.gz LOHRWWSWERLAQO-UHFFFAOYSA-N 0 0 359.433 3.344 50 0 FGAARN Cc1ccccc1C(=O)N[C@@H](C(=O)OCC(=O)c1ccccc1)C(C)C ZINC000032954701 494032350 /nfs/dbraw/zinc/03/23/50/494032350.db2.gz JWWRFRRABQZNNL-LJQANCHMSA-N 0 0 353.418 3.176 50 0 FGAARN Cc1cc(NC(=O)c2nc3ccccc3n(C)c2=O)ccc1Br ZINC000032958112 494032813 /nfs/dbraw/zinc/03/28/13/494032813.db2.gz TZMZSODKTYPULE-UHFFFAOYSA-N 0 0 372.222 3.257 50 0 FGAARN O=C(N1CCO[C@@H](c2ccccc2)C1)C1(c2ccccc2)CCOCC1 ZINC000032963238 494033528 /nfs/dbraw/zinc/03/35/28/494033528.db2.gz HNRYYFMVJCATQJ-HXUWFJFHSA-N 0 0 351.446 3.335 50 0 FGAARN C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccc(Cl)cc1 ZINC000032978355 494034456 /nfs/dbraw/zinc/03/44/56/494034456.db2.gz FIZTUFJZHVMXNI-GFCCVEGCSA-N 0 0 356.809 3.484 50 0 FGAARN CC[C@@H](C)NC(=O)CCCc1nnc(C(=O)Nc2ccccc2C)s1 ZINC000032995339 494035199 /nfs/dbraw/zinc/03/51/99/494035199.db2.gz QRWKNGGTZPXAMV-CYBMUJFWSA-N 0 0 360.483 3.336 50 0 FGAARN CCN(CC(=O)NCc1ccc(F)cc1)C(=O)[C@H](C)Sc1ccccc1 ZINC000032999608 494035287 /nfs/dbraw/zinc/03/52/87/494035287.db2.gz GQKKZEOSCJFPTC-HNNXBMFYSA-N 0 0 374.481 3.471 50 0 FGAARN C[C@H](CCc1ccccc1)NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 ZINC000033040166 494038919 /nfs/dbraw/zinc/03/89/19/494038919.db2.gz YABJGHFYQJZJFO-CVEARBPZSA-N 0 0 354.450 3.396 50 0 FGAARN CCn1c2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2oc1=O ZINC000033048748 494039459 /nfs/dbraw/zinc/03/94/59/494039459.db2.gz LSFQQILVDLHDBM-UHFFFAOYSA-N 0 0 352.799 3.069 50 0 FGAARN Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000033060056 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/nfs/dbraw/zinc/57/78/92/494577892.db2.gz IRRMXSQAQJHTRF-IBGZPJMESA-N 0 0 357.479 3.385 50 0 FGAARN C[C@H]1CN(Cn2nc(-c3ccccc3Cl)n(C)c2=S)C[C@H](C)O1 ZINC000023741321 494578057 /nfs/dbraw/zinc/57/80/57/494578057.db2.gz OLNVSMYVPQRQPU-RYUDHWBXSA-N 0 0 352.891 3.338 50 0 FGAARN CC(C)CN1CC2(CC1=O)CCN(C(=O)Nc1ccc(F)c(F)c1)CC2 ZINC000091326774 494583121 /nfs/dbraw/zinc/58/31/21/494583121.db2.gz UBQVMKRIQQWELF-UHFFFAOYSA-N 0 0 365.424 3.467 50 0 FGAARN CCc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1 ZINC000023865282 494586586 /nfs/dbraw/zinc/58/65/86/494586586.db2.gz YQCZWDJMWHQHCY-UHFFFAOYSA-N 0 0 365.506 3.485 50 0 FGAARN CC(C)n1ccnc1C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000091381354 494592667 /nfs/dbraw/zinc/59/26/67/494592667.db2.gz CUJUYBBNPUAASU-GOSISDBHSA-N 0 0 355.438 3.010 50 0 FGAARN COc1ccc2c(c1)OC[C@@H](Cc1cc(C(=O)N3CCCC3)ccn1)C2 ZINC000091410541 494593974 /nfs/dbraw/zinc/59/39/74/494593974.db2.gz KOSQUNBZXLEPFQ-OAHLLOKOSA-N 0 0 352.434 3.120 50 0 FGAARN CN1CC2(CCC1=O)CCN(C(=O)[C@]1(c3ccc(F)cc3)CC1(C)C)CC2 ZINC000091410011 494594016 /nfs/dbraw/zinc/59/40/16/494594016.db2.gz UBOQJTJXJIUKCW-JOCHJYFZSA-N 0 0 372.484 3.354 50 0 FGAARN CO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000091416764 494594382 /nfs/dbraw/zinc/59/43/82/494594382.db2.gz KBWMJYMWZKNKJY-RTWAWAEBSA-N 0 0 365.473 3.285 50 0 FGAARN Nc1cc(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)ncn1 ZINC000067649203 494596486 /nfs/dbraw/zinc/59/64/86/494596486.db2.gz MTSJSRGPUFQRCQ-UHFFFAOYSA-N 0 0 361.384 3.262 50 0 FGAARN OCc1csc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)n1 ZINC000067650365 494598849 /nfs/dbraw/zinc/59/88/49/494598849.db2.gz LCSWNXHXZJBRCD-QGZVFWFLSA-N 0 0 352.887 3.110 50 0 FGAARN CC(C)c1cc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)nn1C(C)(C)C ZINC000056955823 494603070 /nfs/dbraw/zinc/60/30/70/494603070.db2.gz GXBKQUWVINANEC-HNNXBMFYSA-N 0 0 359.474 3.389 50 0 FGAARN COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H]3CC3(F)F)CC2)c1 ZINC000067672961 494605522 /nfs/dbraw/zinc/60/55/22/494605522.db2.gz CBQFJORKKOQLBM-MRXNPFEDSA-N 0 0 361.392 3.447 50 0 FGAARN Cc1cc2c(ncnc2SCC(=O)N2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000067690702 494613116 /nfs/dbraw/zinc/61/31/16/494613116.db2.gz GTFCGRXQLBENEL-LBPRGKRZSA-N 0 0 373.507 3.221 50 0 FGAARN Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1 ZINC000067688768 494613249 /nfs/dbraw/zinc/61/32/49/494613249.db2.gz FNTLSKJLLLGXNB-UHFFFAOYSA-N 0 0 362.433 3.093 50 0 FGAARN Cc1ccc([C@H]2c3[nH]cnc3CCN2Cc2cccn2-c2ncccn2)cc1 ZINC000067688960 494613489 /nfs/dbraw/zinc/61/34/89/494613489.db2.gz ALIDEIFPVKLBHM-NRFANRHFSA-N 0 0 370.460 3.447 50 0 FGAARN O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1ncccc1O ZINC000091586770 494620706 /nfs/dbraw/zinc/62/07/06/494620706.db2.gz UGMWDEDEHNQROQ-AWEZNQCLSA-N 0 0 370.359 3.059 50 0 FGAARN CC[C@@H](O)C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067726351 494624504 /nfs/dbraw/zinc/62/45/04/494624504.db2.gz VPUBZYZTJLBASO-MRXNPFEDSA-N 0 0 361.825 3.205 50 0 FGAARN Cc1c([C@H](C)NC(=O)c2n[nH]c3c2CCCC3)cnn1-c1cccc(F)c1 ZINC000091596009 494625136 /nfs/dbraw/zinc/62/51/36/494625136.db2.gz GZTFPMUCVUPJSA-LBPRGKRZSA-N 0 0 367.428 3.413 50 0 FGAARN C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 ZINC000024442290 494631329 /nfs/dbraw/zinc/63/13/29/494631329.db2.gz ZMNXFHRGLBZYPX-MLGOLLRUSA-N 0 0 357.841 3.417 50 0 FGAARN O=C([C@@H]1CCCCO1)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067757146 494635796 /nfs/dbraw/zinc/63/57/96/494635796.db2.gz XNIWDMJUYLUTML-FQEVSTJZSA-N 0 0 353.466 3.276 50 0 FGAARN O=C(Nc1nncs1)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000057090780 494641616 /nfs/dbraw/zinc/64/16/16/494641616.db2.gz FGEKCWYFFRKNRX-AWEZNQCLSA-N 0 0 353.407 3.040 50 0 FGAARN COC[C@@H](c1ccccn1)N(C)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000091679508 494642228 /nfs/dbraw/zinc/64/22/28/494642228.db2.gz CZGIJPJRARBZCA-IBGZPJMESA-N 0 0 351.450 3.359 50 0 FGAARN COc1ccc(CCCN(C)C(=O)c2cnc3ccccc3n2)cc1OC ZINC000024604839 494647112 /nfs/dbraw/zinc/64/71/12/494647112.db2.gz YZNMKZNUPVDXQN-UHFFFAOYSA-N 0 0 365.433 3.352 50 0 FGAARN CN(C[C@@H]1CCCO1)C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067805299 494651933 /nfs/dbraw/zinc/65/19/33/494651933.db2.gz DNAGCNVMFXYDQJ-HNNXBMFYSA-N 0 0 367.405 3.053 50 0 FGAARN Cc1nc(C2(NS(=O)(=O)c3ccccc3F)CCCCCC2)no1 ZINC000024689116 494653934 /nfs/dbraw/zinc/65/39/34/494653934.db2.gz BCLBMJJWTFENMM-UHFFFAOYSA-N 0 0 353.419 3.045 50 0 FGAARN O=C(NCC[C@H]1COc2ccccc2O1)c1ccc(-c2ccncc2)nc1 ZINC000067817442 494655221 /nfs/dbraw/zinc/65/52/21/494655221.db2.gz CFBWJJAGYWNNKR-KRWDZBQOSA-N 0 0 361.401 3.104 50 0 FGAARN CC(C)c1nc(CCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)cs1 ZINC000091725453 494657518 /nfs/dbraw/zinc/65/75/18/494657518.db2.gz MLRKIFPQJURJEJ-AWEZNQCLSA-N 0 0 361.442 3.190 50 0 FGAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(OCc2c(C)noc2C)cc1 ZINC000024724243 494657973 /nfs/dbraw/zinc/65/79/73/494657973.db2.gz JFSQYOCCIBMDGA-SFHVURJKSA-N 0 0 374.437 3.188 50 0 FGAARN COc1cccc2c1OC[C@@H](C(=O)NCCOc1ccccc1Cl)C2 ZINC000091724643 494658014 /nfs/dbraw/zinc/65/80/14/494658014.db2.gz IDEXZEAFLYPPRU-AWEZNQCLSA-N 0 0 361.825 3.095 50 0 FGAARN O=C(/C=C/c1ccc(F)cc1)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000024749460 494661858 /nfs/dbraw/zinc/66/18/58/494661858.db2.gz WWKZSUMRNGYBPW-ZBWUASRJSA-N 0 0 354.425 3.029 50 0 FGAARN Cc1cc(C)n([C@@H]2CCN(C(=O)c3c[nH]nc3-c3cccc(F)c3)C2)n1 ZINC000067840272 494664455 /nfs/dbraw/zinc/66/44/55/494664455.db2.gz IYTCJMKBUVVXBL-MRXNPFEDSA-N 0 0 353.401 3.116 50 0 FGAARN COCCC[C@@H]1CCCCN1C(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O ZINC000091745474 494664656 /nfs/dbraw/zinc/66/46/56/494664656.db2.gz BYYCOYAPXCQOEA-KRWDZBQOSA-N 0 0 369.465 3.167 50 0 FGAARN O=C(c1cccc(O)c1)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000067847690 494665740 /nfs/dbraw/zinc/66/57/40/494665740.db2.gz DDEMZDRRNRIVMB-UHFFFAOYSA-N 0 0 362.385 3.195 50 0 FGAARN CCOc1ccccc1OCC(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000024836370 494669922 /nfs/dbraw/zinc/66/99/22/494669922.db2.gz HHNFUGZSEFIJNX-UHFFFAOYSA-N 0 0 365.332 3.168 50 0 FGAARN O=C(NCCCc1ccccn1)c1ccc(N[C@H]2CCc3cccnc32)nc1 ZINC000067869048 494672640 /nfs/dbraw/zinc/67/26/40/494672640.db2.gz DRHWXQGLUAILCK-IBGZPJMESA-N 0 0 373.460 3.334 50 0 FGAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000080320927 494676045 /nfs/dbraw/zinc/67/60/45/494676045.db2.gz BIFJQJFRNBXPSK-GDBMZVCRSA-N 0 0 361.486 3.302 50 0 FGAARN CS(=O)(=O)Nc1ccccc1NC(=O)CCn1ccc2ccccc21 ZINC000024889504 494677219 /nfs/dbraw/zinc/67/72/19/494677219.db2.gz XEGAKSYYHMWWMM-UHFFFAOYSA-N 0 0 357.435 3.042 50 0 FGAARN CC(=O)Nc1nc(CSc2nnc(-c3ccccc3C)n2C)cs1 ZINC000024916863 494679361 /nfs/dbraw/zinc/67/93/61/494679361.db2.gz OGIBCUXHHBHNKQ-UHFFFAOYSA-N 0 0 359.480 3.498 50 0 FGAARN Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C[NH+](C)C)c3ccccc3)c12 ZINC000067896161 494685643 /nfs/dbraw/zinc/68/56/43/494685643.db2.gz WBNIRKIKYPLTNV-CYBMUJFWSA-N 0 0 356.451 3.413 50 0 FGAARN Cc1ccc(-c2nc(CC(=O)Nc3cn(C)c(=O)cc3C)cs2)cc1 ZINC000075092035 494685934 /nfs/dbraw/zinc/68/59/34/494685934.db2.gz HNPAPMPLEAEWCK-UHFFFAOYSA-N 0 0 353.447 3.307 50 0 FGAARN O=C(NC[C@H](CO)c1ccccc1)c1cc(Br)ccc1F ZINC000075104861 494689836 /nfs/dbraw/zinc/68/98/36/494689836.db2.gz DYZAPDQCJLUZDL-GFCCVEGCSA-N 0 0 352.203 3.094 50 0 FGAARN CCc1nc(CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)no1 ZINC000075107713 494690563 /nfs/dbraw/zinc/69/05/63/494690563.db2.gz SUBNEGLIXAWFRA-SNVBAGLBSA-N 0 0 352.232 3.490 50 0 FGAARN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000075107296 494690662 /nfs/dbraw/zinc/69/06/62/494690662.db2.gz PKRJSMMVQTXACT-HNNXBMFYSA-N 0 0 364.424 3.492 50 0 FGAARN COc1cc2c(cc1CNC(=O)C[C@@H]1CCc3ccccc31)OCCO2 ZINC000091819656 494690909 /nfs/dbraw/zinc/69/09/09/494690909.db2.gz KLMXFILRGBDDPJ-HNNXBMFYSA-N 0 0 353.418 3.203 50 0 FGAARN C/C(=C\C(=O)NC1CCN(c2cc(C)ncn2)CC1)CCc1ccccc1 ZINC000075106632 494690929 /nfs/dbraw/zinc/69/09/29/494690929.db2.gz URIQCUYEIOWLEU-SAPNQHFASA-N 0 0 364.493 3.449 50 0 FGAARN COc1ccc(C)cc1NC(=O)[C@@H](NC(=O)c1ccccc1OC)C(C)C ZINC000025050295 494693141 /nfs/dbraw/zinc/69/31/41/494693141.db2.gz XYDZEHACZVMXER-IBGZPJMESA-N 0 0 370.449 3.405 50 0 FGAARN CN1CCN(C(=O)CCCc2cccs2)c2nc3ccccc3nc21 ZINC000025056120 494693457 /nfs/dbraw/zinc/69/34/57/494693457.db2.gz MQSMGELJATWUBH-UHFFFAOYSA-N 0 0 352.463 3.497 50 0 FGAARN O=C(CCc1ccccn1)N1CC[C@@]2(C1)CCCN(C1CCCCC1)C2=O ZINC000091829694 494695284 /nfs/dbraw/zinc/69/52/84/494695284.db2.gz ORUKEKSSZUIXFX-JOCHJYFZSA-N 0 0 369.509 3.188 50 0 FGAARN Cc1ccsc1[C@@H]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H]1O ZINC000067946246 494705167 /nfs/dbraw/zinc/70/51/67/494705167.db2.gz FOTMDWFKWKLLGG-RHSMWYFYSA-N 0 0 369.490 3.242 50 0 FGAARN COCc1cc(N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)ncn1 ZINC000067954325 494707438 /nfs/dbraw/zinc/70/74/38/494707438.db2.gz VCYHRHPMZOXMND-QGZVFWFLSA-N 0 0 363.465 3.321 50 0 FGAARN COc1cc(NC(=O)CCc2ccsc2)c(C(=O)N(C)C)cc1OC ZINC000025217063 494710531 /nfs/dbraw/zinc/71/05/31/494710531.db2.gz PSDVOJHYSFMURJ-UHFFFAOYSA-N 0 0 362.451 3.038 50 0 FGAARN O=C(NCc1ccccc1)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 ZINC000025228804 494712787 /nfs/dbraw/zinc/71/27/87/494712787.db2.gz MSHDPVIHTRQGDZ-GOSISDBHSA-N 0 0 368.437 3.309 50 0 FGAARN COc1ccc(-c2nc(CN3CCc4n[nH]cc4C3)c(C)o2)c(OC)c1C ZINC000067965157 494713067 /nfs/dbraw/zinc/71/30/67/494713067.db2.gz MTRCTMJNPMQIQC-UHFFFAOYSA-N 0 0 368.437 3.257 50 0 FGAARN CCOc1ccc(OCc2nc3cc4c(cc3c(=O)o2)OCCCO4)cc1 ZINC000057327485 494713922 /nfs/dbraw/zinc/71/39/22/494713922.db2.gz IBFKLPNHFQSKLH-UHFFFAOYSA-N 0 0 369.373 3.327 50 0 FGAARN O=C(NOCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000025284303 494715504 /nfs/dbraw/zinc/71/55/04/494715504.db2.gz PQBNYHXIFNSINH-QGZVFWFLSA-N 0 0 353.422 3.179 50 0 FGAARN COc1cccc(CN2CCc3cc(OC)c(O)cc3[C@@H]2CO)c1Cl ZINC000075284199 494718558 /nfs/dbraw/zinc/71/85/58/494718558.db2.gz DBAOEVIYYMRTSB-HNNXBMFYSA-N 0 0 363.841 3.155 50 0 FGAARN COCc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000025305759 494719015 /nfs/dbraw/zinc/71/90/15/494719015.db2.gz MTQCSFAFMGGTLL-MRXNPFEDSA-N 0 0 362.470 3.096 50 0 FGAARN C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCC(Cc3ccccc3)CC1)C2=O ZINC000057363049 494721598 /nfs/dbraw/zinc/72/15/98/494721598.db2.gz DTLJCEXXQWLCFN-HTAPYJJXSA-N 0 0 369.509 3.399 50 0 FGAARN COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCCc2ccccc21 ZINC000025406174 494733721 /nfs/dbraw/zinc/73/37/21/494733721.db2.gz DFLBAAYFZNTJSJ-SFHVURJKSA-N 0 0 355.434 3.090 50 0 FGAARN CCC(C)(C)NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCCCCC2)c1C ZINC000075348088 494737148 /nfs/dbraw/zinc/73/71/48/494737148.db2.gz LPRADPJDBIKEOK-UHFFFAOYSA-N 0 0 369.531 3.115 50 0 FGAARN CCCn1c(SCC(=O)NC2CCCC2)nc2ccsc2c1=O ZINC000057425155 494742040 /nfs/dbraw/zinc/74/20/40/494742040.db2.gz JAGHAJSWIFJKIP-UHFFFAOYSA-N 0 0 351.497 3.019 50 0 FGAARN CCCn1c(SCC(=O)NCCC(C)C)nc2ccsc2c1=O ZINC000057425151 494742594 /nfs/dbraw/zinc/74/25/94/494742594.db2.gz KWBSCDBXPGZIAJ-UHFFFAOYSA-N 0 0 353.513 3.122 50 0 FGAARN COCCn1cc(C(=O)NC2(c3noc(C)n3)CCCC2)c2ccccc21 ZINC000057434607 494746496 /nfs/dbraw/zinc/74/64/96/494746496.db2.gz BYYSIAJPLQOQFN-UHFFFAOYSA-N 0 0 368.437 3.178 50 0 FGAARN O=C1[C@@H]2CCCN2[C@@H](c2ccc(Br)cc2)N1c1ccccn1 ZINC000075402934 494757532 /nfs/dbraw/zinc/75/75/32/494757532.db2.gz VEAADABTGDUONU-GOEBONIOSA-N 0 0 358.239 3.354 50 0 FGAARN CSc1cccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000075522623 494783519 /nfs/dbraw/zinc/78/35/19/494783519.db2.gz FWHMSZBUWOQKBY-INIZCTEOSA-N 0 0 359.426 3.475 50 0 FGAARN CN(C(N)=O)c1ccc(OCc2nn(-c3ccccc3)c3c2CCC3)cc1 ZINC000092894232 494783515 /nfs/dbraw/zinc/78/35/15/494783515.db2.gz AYVBYHSADKSDPF-UHFFFAOYSA-N 0 0 362.433 3.455 50 0 FGAARN CSc1ccc(NC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 ZINC000075522683 494783809 /nfs/dbraw/zinc/78/38/09/494783809.db2.gz VTLVXFMTNUTZAN-INIZCTEOSA-N 0 0 359.426 3.475 50 0 FGAARN Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3F)C2=O)ccc1F ZINC000075523460 494784845 /nfs/dbraw/zinc/78/48/45/494784845.db2.gz PVOYHUULFFLODB-INIZCTEOSA-N 0 0 363.339 3.339 50 0 FGAARN Cc1cccn2c(=O)cc(CN3CCn4cccc4[C@H]3c3ccccc3)nc12 ZINC000026164158 494805573 /nfs/dbraw/zinc/80/55/73/494805573.db2.gz FHNJWFMVUXOSMB-JOCHJYFZSA-N 0 0 370.456 3.410 50 0 FGAARN CC(C)COCCCNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000026265204 494813907 /nfs/dbraw/zinc/81/39/07/494813907.db2.gz SFNJTYGXNGODFA-KRWDZBQOSA-N 0 0 361.486 3.109 50 0 FGAARN C[C@@H](NC(=O)NCCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000026311663 494817202 /nfs/dbraw/zinc/81/72/02/494817202.db2.gz SJVMQTAAQRRDIN-CQSZACIVSA-N 0 0 352.438 3.033 50 0 FGAARN CCOC(=O)[C@H]1CCCN(Cn2ncn([C@H](C)c3ccccc3)c2=S)C1 ZINC000109044326 494824755 /nfs/dbraw/zinc/82/47/55/494824755.db2.gz PHQRKHCQFCKRFN-WBVHZDCISA-N 0 0 374.510 3.256 50 0 FGAARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C(F)(F)F)nc1 ZINC000026493393 494828755 /nfs/dbraw/zinc/82/87/55/494828755.db2.gz OOGKBXSJSUABSE-UHFFFAOYSA-N 0 0 364.323 3.480 50 0 FGAARN CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccc(F)cc1 ZINC000026685374 494834005 /nfs/dbraw/zinc/83/40/05/494834005.db2.gz RTOAMHDYOWZQJU-QGZVFWFLSA-N 0 0 364.367 3.175 50 0 FGAARN CC(=O)N1[C@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(C)cc1 ZINC000027118183 494852826 /nfs/dbraw/zinc/85/28/26/494852826.db2.gz BPYQSVPGDWMLEP-AZUAARDMSA-N 0 0 354.475 3.274 50 0 FGAARN CSc1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1 ZINC000027106848 494853369 /nfs/dbraw/zinc/85/33/69/494853369.db2.gz LNPBKBXCFFWOGJ-DZKIICNBSA-N 0 0 365.524 3.073 50 0 FGAARN Cc1ccc(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F ZINC000027171179 494855894 /nfs/dbraw/zinc/85/58/94/494855894.db2.gz RJHPREGCEFXJCP-UHFFFAOYSA-N 0 0 372.484 3.473 50 0 FGAARN Cc1noc(C)c1CSc1ncccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000027339586 494863261 /nfs/dbraw/zinc/86/32/61/494863261.db2.gz VGEGKRUAAYVLLG-TXEJJXNPSA-N 0 0 361.467 3.228 50 0 FGAARN O=C(COc1cccc(NC(=O)c2cc(F)cc(F)c2)c1)N1CCCC1 ZINC000027445020 494867890 /nfs/dbraw/zinc/86/78/90/494867890.db2.gz GFOZQTZTKRFHEG-UHFFFAOYSA-N 0 0 360.360 3.218 50 0 FGAARN CCn1cc(C2N3CC4(CC)CN2CC(CC)(C3)C4O)c2ccccc21 ZINC000027489130 494869985 /nfs/dbraw/zinc/86/99/85/494869985.db2.gz QXAQTRBFWZXRTN-UHFFFAOYSA-N 0 0 353.510 3.458 50 0 FGAARN COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000027662051 494879948 /nfs/dbraw/zinc/87/99/48/494879948.db2.gz KMLNUCIKOVWQCN-IBGZPJMESA-N 0 0 374.868 3.152 50 0 FGAARN CCc1ccc(O)c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000132471551 494880165 /nfs/dbraw/zinc/88/01/65/494880165.db2.gz KIGNLLZILQUIHH-UHFFFAOYSA-N 0 0 372.852 3.206 50 0 FGAARN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccccc3F)C2)n1 ZINC000117037832 494886448 /nfs/dbraw/zinc/88/64/48/494886448.db2.gz JSOJSCZDMSWWSI-RHSMWYFYSA-N 0 0 373.476 3.087 50 0 FGAARN CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000127115657 494895248 /nfs/dbraw/zinc/89/52/48/494895248.db2.gz IBJUOLRLNXQBTC-UHFFFAOYSA-N 0 0 367.446 3.183 50 0 FGAARN O=C(Cc1cc(Cl)ccc1Cl)N1CCCN(c2cccnn2)CC1 ZINC000109628825 494898329 /nfs/dbraw/zinc/89/83/29/494898329.db2.gz WEHQSXPAWCCVSR-UHFFFAOYSA-N 0 0 365.264 3.065 50 0 FGAARN Cc1nc(-c2ccc(S(=O)(=O)NC[C@H]3Cc4ccccc43)cc2)co1 ZINC000117360977 494914309 /nfs/dbraw/zinc/91/43/09/494914309.db2.gz ANDFCZJHAMRLLF-MRXNPFEDSA-N 0 0 354.431 3.268 50 0 FGAARN O=C(NCc1nncn1C1CC1)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000095466905 494978040 /nfs/dbraw/zinc/97/80/40/494978040.db2.gz GKIYJCKIIMUIFB-UHFFFAOYSA-N 0 0 373.420 3.274 50 0 FGAARN CCc1cc(=O)[nH]c(-c2ccc(N3CC[C@H](Nc4ccccc4)C3)nc2)n1 ZINC000095958366 494992398 /nfs/dbraw/zinc/99/23/98/494992398.db2.gz ZRTASEJYKHLLIV-SFHVURJKSA-N 0 0 361.449 3.085 50 0 FGAARN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000095998616 494994347 /nfs/dbraw/zinc/99/43/47/494994347.db2.gz XBMYCFPJEQLFAY-SFHVURJKSA-N 0 0 366.465 3.267 50 0 FGAARN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000095999992 494994952 /nfs/dbraw/zinc/99/49/52/494994952.db2.gz MOSGACBZWMVOIY-CYBMUJFWSA-N 0 0 372.860 3.049 50 0 FGAARN CC(C)c1nc([C@@H]2COCCN2c2ccnc(-c3ccccc3)n2)no1 ZINC000095999757 494995031 /nfs/dbraw/zinc/99/50/31/494995031.db2.gz ZWUXXQINNHARIH-HNNXBMFYSA-N 0 0 351.410 3.228 50 0 FGAARN Cc1occc1C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000096001845 494995039 /nfs/dbraw/zinc/99/50/39/494995039.db2.gz DRFNOFFEQFYURT-OAHLLOKOSA-N 0 0 355.398 3.129 50 0 FGAARN O=C1OC(c2ccc(OC(F)F)cc2)=N/C1=C/c1ccc2c(c1)OCCO2 ZINC000096019422 494996273 /nfs/dbraw/zinc/99/62/73/494996273.db2.gz OHTWOTCDFZQIKD-NTEUORMPSA-N 0 0 373.311 3.404 50 0 FGAARN Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1C ZINC000096025592 494996420 /nfs/dbraw/zinc/99/64/20/494996420.db2.gz YXGUUELGCNNIFV-FQEVSTJZSA-N 0 0 371.458 3.102 50 0 FGAARN CO[C@](C)(CNS(=O)(=O)c1ccccc1Cl)c1ccccc1F ZINC000096123573 495002794 /nfs/dbraw/zinc/00/27/94/495002794.db2.gz XMEKDQQQLYSLOI-MRXNPFEDSA-N 0 0 357.834 3.319 50 0 FGAARN Cc1ccc([C@H](C)N(C)C(=O)/C=C\c2ccc(OCC(N)=O)cc2)s1 ZINC000096309267 495009974 /nfs/dbraw/zinc/00/99/74/495009974.db2.gz UIFJTINCEQVBJC-JOHMGYAOSA-N 0 0 358.463 3.153 50 0 FGAARN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccccc1Cl)OC ZINC000096384907 495011550 /nfs/dbraw/zinc/01/15/50/495011550.db2.gz IRZDLJMBGFPZQG-OAHLLOKOSA-N 0 0 355.843 3.015 50 0 FGAARN COCCNC(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000096551463 495012078 /nfs/dbraw/zinc/01/20/78/495012078.db2.gz YPLPIUGGJFLGKC-KTKRTIGZSA-N 0 0 367.474 3.436 50 0 FGAARN Cc1ccccc1C1=N/C(=C/c2ccc(N3CCOCC3)s2)C(=O)O1 ZINC000096635178 495013924 /nfs/dbraw/zinc/01/39/24/495013924.db2.gz MMHOHIALFOMTCR-FOWTUZBSSA-N 0 0 354.431 3.238 50 0 FGAARN CCCN1CCN(C(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000096839806 495014644 /nfs/dbraw/zinc/01/46/44/495014644.db2.gz NAIUVYDSIMSZJF-UHFFFAOYSA-N 0 0 354.479 3.255 50 0 FGAARN COc1ccc(C(=O)N2CCCC[C@@H]2c2nncn2CC2CC2)cc1F ZINC000097124447 495024170 /nfs/dbraw/zinc/02/41/70/495024170.db2.gz XMSKDBHOAGHFHN-MRXNPFEDSA-N 0 0 358.417 3.203 50 0 FGAARN O=C(Nc1ccc[nH]c1=O)N(C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC000097499545 495037748 /nfs/dbraw/zinc/03/77/48/495037748.db2.gz HPBANUPGSRXJNA-MPNRVQBSSA-N 0 0 353.422 3.101 50 0 FGAARN CCn1c2ncccc2nc1[C@H]1CCN(C(=O)c2ccc(OC)c(F)c2)C1 ZINC000097944727 495046455 /nfs/dbraw/zinc/04/64/55/495046455.db2.gz LJLZJTYXKNJIEI-AWEZNQCLSA-N 0 0 368.412 3.229 50 0 FGAARN CCCCN1C(=O)C(=Cc2cc3c(cc2OCC)C[C@@H](C)O3)NC1=S ZINC000101400722 495068608 /nfs/dbraw/zinc/06/86/08/495068608.db2.gz MPZAOEIHGYPSDT-CDCQXCROSA-N 0 0 360.479 3.266 50 0 FGAARN Cn1cc2c(n1)ncnc2NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000119072946 495085527 /nfs/dbraw/zinc/08/55/27/495085527.db2.gz AOCXXPXFQOSIRG-UHFFFAOYSA-N 0 0 350.426 3.104 50 0 FGAARN CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000128541317 495113767 /nfs/dbraw/zinc/11/37/67/495113767.db2.gz JHJBMUODFHAEDI-GFCCVEGCSA-N 0 0 369.347 3.396 50 0 FGAARN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H]1OCCc2ccccc21 ZINC000119507313 495179494 /nfs/dbraw/zinc/17/94/94/495179494.db2.gz UCBJSEBNGRZADT-FQEVSTJZSA-N 0 0 366.461 3.051 50 0 FGAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)C1CCOCC1 ZINC000135949879 495345348 /nfs/dbraw/zinc/34/53/48/495345348.db2.gz ZVZIPMVVHWPTMX-CYBMUJFWSA-N 0 0 370.478 3.091 50 0 FGAARN O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000136524813 495384980 /nfs/dbraw/zinc/38/49/80/495384980.db2.gz HJPHVQFVRLSXPJ-AWEZNQCLSA-N 0 0 370.371 3.106 50 0 FGAARN C[Si](C)(C)CCNC(=O)C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000170601748 495532285 /nfs/dbraw/zinc/53/22/85/495532285.db2.gz MKUJWHXAKIMEHG-UHFFFAOYSA-N 0 0 361.562 3.253 50 0 FGAARN COC(=O)[C@H](NC(=O)CSCc1ccccn1)c1c(C)cc(C)cc1C ZINC000170601476 495532452 /nfs/dbraw/zinc/53/24/52/495532452.db2.gz WYKNEHUWQURAFI-LJQANCHMSA-N 0 0 372.490 3.271 50 0 FGAARN CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)cn1 ZINC000170605937 495533903 /nfs/dbraw/zinc/53/39/03/495533903.db2.gz YRSIVKYIMLPWGI-RDTXWAMCSA-N 0 0 373.884 3.440 50 0 FGAARN CCc1ccc([C@H](C)NC(=O)COc2ccc(C(=O)OC)c(OC)c2)cc1 ZINC000170611059 495534471 /nfs/dbraw/zinc/53/44/71/495534471.db2.gz ODZZTNAQDJMLRN-AWEZNQCLSA-N 0 0 371.433 3.300 50 0 FGAARN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cc2ccc3c[nH]nc3c2)c1 ZINC000170610244 495535187 /nfs/dbraw/zinc/53/51/87/495535187.db2.gz XUEHECIMDNCVJB-AWEZNQCLSA-N 0 0 364.449 3.406 50 0 FGAARN CC(C)(CNC(=O)c1nc2cccnc2s1)N1CCc2ccccc2C1 ZINC000170615527 495535673 /nfs/dbraw/zinc/53/56/73/495535673.db2.gz XMNDLQCUALINRX-UHFFFAOYSA-N 0 0 366.490 3.258 50 0 FGAARN O=C(OC[C@H]1CCCCO1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170622893 495536767 /nfs/dbraw/zinc/53/67/67/495536767.db2.gz BIUULBHNPOBEGL-GFCCVEGCSA-N 0 0 356.300 3.481 50 0 FGAARN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2noc3c2CCCC3)C1 ZINC000170629831 495538599 /nfs/dbraw/zinc/53/85/99/495538599.db2.gz FMQNVBQFOSPGJA-HNNXBMFYSA-N 0 0 357.429 3.400 50 0 FGAARN NC(=O)c1cncc(N2CC[C@H](c3cccc(Oc4ccccc4)c3)C2)n1 ZINC000170654189 495548220 /nfs/dbraw/zinc/54/82/20/495548220.db2.gz NNLMPIGEPQPJFW-INIZCTEOSA-N 0 0 360.417 3.362 50 0 FGAARN Cc1nc(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(C)s1 ZINC000151012066 495711375 /nfs/dbraw/zinc/71/13/75/495711375.db2.gz HZFSTYRKYMZCRK-UHFFFAOYSA-N 0 0 371.506 3.032 50 0 FGAARN CCc1c(C(=O)N(C)CCCn2ccnc2)cnn1-c1ccccc1C ZINC000186164672 495880294 /nfs/dbraw/zinc/88/02/94/495880294.db2.gz LZCFHJWROHCJBV-UHFFFAOYSA-N 0 0 351.454 3.102 50 0 FGAARN OCCc1cn(Cc2noc(-c3ccc(Cl)cc3)n2)nc1C(F)(F)F ZINC000180457231 496003995 /nfs/dbraw/zinc/00/39/95/496003995.db2.gz TVEPIRJQJIVRCL-UHFFFAOYSA-N 0 0 372.734 3.188 50 0 FGAARN O=C(NC1Cc2ccccc2C1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000186673894 496101297 /nfs/dbraw/zinc/10/12/97/496101297.db2.gz JBEHLHFVCNJEGH-UHFFFAOYSA-N 0 0 367.468 3.210 50 0 FGAARN Cc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1OC(F)F ZINC000172121948 496174646 /nfs/dbraw/zinc/17/46/46/496174646.db2.gz INDBLXHCIWVLJY-UHFFFAOYSA-N 0 0 352.381 3.184 50 0 FGAARN C[C@@H](c1nccs1)N1CCN(C(=O)c2ccnc3ccccc32)CC1 ZINC000184115520 496244741 /nfs/dbraw/zinc/24/47/41/496244741.db2.gz FJOGRFFLVRVISG-AWEZNQCLSA-N 0 0 352.463 3.210 50 0 FGAARN Cc1ncsc1CN(C)S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000172456741 496302799 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O=C(NCc1nc(-c2ccccc2)cs1)c1ccc2[nH]c(CO)nc2c1 ZINC000097785558 209197092 /nfs/dbraw/zinc/19/70/92/209197092.db2.gz VPFKSZZURNOFJQ-UHFFFAOYSA-N 0 0 364.430 3.109 50 0 FGAARN COc1ccc(-c2ccc(CS(C)(=O)=O)cn2)c(-n2nc(C)cc2C)c1 ZINC000097785355 209196949 /nfs/dbraw/zinc/19/69/49/209196949.db2.gz WMBCNLHEAFXYLW-UHFFFAOYSA-N 0 0 371.462 3.104 50 0 FGAARN CCc1cccc(OCCN(C)C(=O)[C@H]2CC(=O)OC23CCCCC3)c1 ZINC000097729655 209195128 /nfs/dbraw/zinc/19/51/28/209195128.db2.gz MMCAMEFBMLNINI-GOSISDBHSA-N 0 0 359.466 3.352 50 0 FGAARN COC(=O)[C@@H](N[C@@H](C)c1ccccc1)C(C)(C)NC(=O)OC(C)(C)C ZINC000097758797 209194186 /nfs/dbraw/zinc/19/41/86/209194186.db2.gz ANRULRPIGXTOCP-DZGCQCFKSA-N 0 0 350.459 3.182 50 0 FGAARN COc1ccc(-c2ccc(NC(=O)NC[C@@](C)(O)CCCO)cc2)cc1 ZINC000097713594 209193446 /nfs/dbraw/zinc/19/34/46/209193446.db2.gz XXZXUDJDHAOJEX-FQEVSTJZSA-N 0 0 358.438 3.007 50 0 FGAARN Cn1nc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)c2c1CCCC2 ZINC000097660540 209192005 /nfs/dbraw/zinc/19/20/05/209192005.db2.gz 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CCN(CC)C(=O)CCCNC(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000097107615 209171290 /nfs/dbraw/zinc/17/12/90/209171290.db2.gz ZVEDUBIAINMPFR-KHPPLWFESA-N 0 0 356.388 3.483 50 0 FGAARN Cc1cc2c(cc1NC(=O)N1CC[C@](O)(c3ccccc3C)C1)OCCO2 ZINC000097155679 209173231 /nfs/dbraw/zinc/17/32/31/209173231.db2.gz BSYUKUNHIMCFGJ-OAQYLSRUSA-N 0 0 368.433 3.200 50 0 FGAARN O=C(/C=C\c1ccc(F)cc1)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000097002917 209166627 /nfs/dbraw/zinc/16/66/27/209166627.db2.gz WWKZSUMRNGYBPW-NHHWLVAYSA-N 0 0 354.425 3.029 50 0 FGAARN C[C@@H]1Oc2ccc(NC(=O)/C=C\c3cnc4ccccc4n3)cc2NC1=O ZINC000096912954 209161659 /nfs/dbraw/zinc/16/16/59/209161659.db2.gz RQXFVWBRBJNACP-UPZNUWHASA-N 0 0 360.373 3.001 50 0 FGAARN COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)N(C)Cc2sccc2C)cc1 ZINC000096841931 209159062 /nfs/dbraw/zinc/15/90/62/209159062.db2.gz YCTCYNSMCJGPCG-YYRKOSNBSA-N 0 0 372.490 3.242 50 0 FGAARN COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 ZINC000012918513 220043188 /nfs/dbraw/zinc/04/31/88/220043188.db2.gz 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Cc1c2cccc(F)c2[nH]c1-c1nc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 ZINC000096166685 209129808 /nfs/dbraw/zinc/12/98/08/209129808.db2.gz FRGUWDZPVKGKII-LBPRGKRZSA-N 0 0 374.441 3.111 50 0 FGAARN OCCn1nc(Cc2c(Cl)cccc2Cl)nc1Cc1cccnc1 ZINC000096162941 209129119 /nfs/dbraw/zinc/12/91/19/209129119.db2.gz ZZSOKTAOOGPMFM-UHFFFAOYSA-N 0 0 363.248 3.154 50 0 FGAARN CCN(c1ccc(C(=O)Nc2c(F)cccc2F)cc1)S(C)(=O)=O ZINC000013682431 220085012 /nfs/dbraw/zinc/08/50/12/220085012.db2.gz FERBYCJMPLYLCD-UHFFFAOYSA-N 0 0 354.378 3.003 50 0 FGAARN Cn1nc(-c2ccccc2)cc1NC(=O)N1CCN(Cc2ccco2)CC1 ZINC000096153877 209125907 /nfs/dbraw/zinc/12/59/07/209125907.db2.gz QSGBURIXMMEVDG-UHFFFAOYSA-N 0 0 365.437 3.030 50 0 FGAARN COc1ccc(Cc2nc(-c3ccc[nH]3)n(CC(F)(F)F)n2)cc1OC ZINC000096150940 209124779 /nfs/dbraw/zinc/12/47/79/209124779.db2.gz KYJLIUFFCUPEQA-UHFFFAOYSA-N 0 0 366.343 3.444 50 0 FGAARN CN(C)C(=O)c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)s1 ZINC000096150985 209124493 /nfs/dbraw/zinc/12/44/93/209124493.db2.gz 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209121234 /nfs/dbraw/zinc/12/12/34/209121234.db2.gz GEFLBEYWNAWYKD-UHFFFAOYSA-N 0 0 354.414 3.234 50 0 FGAARN COc1ccc(OC)c([C@@H]2CCN(C(=O)Nc3ccnn3CC3CC3)C2)c1 ZINC000096132327 209117255 /nfs/dbraw/zinc/11/72/55/209117255.db2.gz CCMSTXHSDQVZHE-OAHLLOKOSA-N 0 0 370.453 3.332 50 0 FGAARN C/C(=C\C(=O)NCCNC(=O)c1ccc(C)c(F)c1)c1ccccc1F ZINC000096133868 209116866 /nfs/dbraw/zinc/11/68/66/209116866.db2.gz RNRGOVKNODWXOQ-SDNWHVSQSA-N 0 0 358.388 3.223 50 0 FGAARN Cn1c2cnccc2nc1[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000096125137 209116194 /nfs/dbraw/zinc/11/61/94/209116194.db2.gz YCFSGGJZRRPNQR-CQSZACIVSA-N 0 0 354.841 3.180 50 0 FGAARN CC(C)C[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1nnc2ccccn21 ZINC000096118290 209115729 /nfs/dbraw/zinc/11/57/29/209115729.db2.gz ZYDMDAAKCUTXKY-AWEZNQCLSA-N 0 0 364.409 3.230 50 0 FGAARN CCn1c(C[C@H]2CCN(C(=O)CCc3ccccc3)C2)nc2cccnc21 ZINC000096124922 209115775 /nfs/dbraw/zinc/11/57/75/209115775.db2.gz AUDDGLHZSBMNGN-GOSISDBHSA-N 0 0 362.477 3.475 50 0 FGAARN 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CCOc1ccc(N2C[C@@H](c3nc(-c4ccccn4)no3)CC2=O)cc1 ZINC000009318661 210827145 /nfs/dbraw/zinc/82/71/45/210827145.db2.gz VCGKJWULSNAMGW-ZDUSSCGKSA-N 0 0 350.378 3.051 50 0 FGAARN Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)NCc1ccco1 ZINC000009315481 210826292 /nfs/dbraw/zinc/82/62/92/210826292.db2.gz RSFQURYTTZQJJI-UHFFFAOYSA-N 0 0 362.432 3.246 50 0 FGAARN Cc1ccc2nc(CN(C)Cc3ccccc3Br)cc(=O)n2c1 ZINC000009154621 210817843 /nfs/dbraw/zinc/81/78/43/210817843.db2.gz OPAIFTOOQHWNCL-UHFFFAOYSA-N 0 0 372.266 3.397 50 0 FGAARN O=C(Cn1nnc2ccccc21)Nc1ccc(Br)cc1Cl ZINC000009156184 210817746 /nfs/dbraw/zinc/81/77/46/210817746.db2.gz FACBDSRDKWJNPQ-UHFFFAOYSA-N 0 0 365.618 3.486 50 0 FGAARN COc1ccc2c(C)c(CCC(=O)Nc3cccnc3)c(=O)oc2c1C ZINC000009060654 210815654 /nfs/dbraw/zinc/81/56/54/210815654.db2.gz ZBHAYRZPDHTQGC-UHFFFAOYSA-N 0 0 352.390 3.385 50 0 FGAARN COc1ccc2[nH]c(=NC(=O)c3cc(=O)c4ccccc4o3)sc2c1 ZINC000008974575 210811173 /nfs/dbraw/zinc/81/11/73/210811173.db2.gz CVRFECMYQCCMKW-UHFFFAOYSA-N 0 0 352.371 3.086 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363.483 3.463 50 0 FGAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000009503912 494126434 /nfs/dbraw/zinc/12/64/34/494126434.db2.gz UOQQGGTZNVPPFF-CYBMUJFWSA-N 0 0 353.422 3.437 50 0 FGAARN CC(=O)N1C[C@@H](C(=O)N2CCCc3cccc(C)c32)Oc2ccccc21 ZINC000040023494 494126890 /nfs/dbraw/zinc/12/68/90/494126890.db2.gz LPYXGOSNFXPCED-IBGZPJMESA-N 0 0 350.418 3.088 50 0 FGAARN CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC1=CCCCC1 ZINC000009528410 494126993 /nfs/dbraw/zinc/12/69/93/494126993.db2.gz JIYGZAZHXDFOTI-MRXNPFEDSA-N 0 0 370.540 3.058 50 0 FGAARN COc1ccccc1-c1nn2c(nnc(-c3ccc(C)cc3)c2=O)s1 ZINC000009547950 494127308 /nfs/dbraw/zinc/12/73/08/494127308.db2.gz OLNHPEQRVPVJJS-UHFFFAOYSA-N 0 0 350.403 3.197 50 0 FGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](c2cccnc2)C1 ZINC000085472804 494127488 /nfs/dbraw/zinc/12/74/88/494127488.db2.gz AXQKXRQELMYQSE-KRWDZBQOSA-N 0 0 360.841 3.493 50 0 FGAARN COC(=O)c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c(F)cc1F ZINC000040051100 494127561 /nfs/dbraw/zinc/12/75/61/494127561.db2.gz LIWQZHGCHPIMLF-UHFFFAOYSA-N 0 0 374.343 3.352 50 0 FGAARN Cc1cccc(OCCC(=O)NCc2ccc(N3CCCC3)nc2)c1C ZINC000040070250 494128583 /nfs/dbraw/zinc/12/85/83/494128583.db2.gz DTQQYCAKMUKUQS-UHFFFAOYSA-N 0 0 353.466 3.384 50 0 FGAARN Cc1ccc(OCCC(=O)NCc2ccc(Cn3cncn3)cc2)c(C)c1 ZINC000040069159 494128622 /nfs/dbraw/zinc/12/86/22/494128622.db2.gz KLBYVKHKJLGJFK-UHFFFAOYSA-N 0 0 364.449 3.029 50 0 FGAARN Cc1c(C(=O)N2CCN(Cc3ccco3)CC2)cnn1-c1ccccc1C ZINC000040073918 494128890 /nfs/dbraw/zinc/12/88/90/494128890.db2.gz PWIBVUZVMDFWBP-UHFFFAOYSA-N 0 0 364.449 3.040 50 0 FGAARN COc1ccc(-c2nc(CN3CCN(c4nc(C)cs4)CC3)co2)cc1 ZINC000040088513 494130726 /nfs/dbraw/zinc/13/07/26/494130726.db2.gz FNKVSUCGHAYRFG-UHFFFAOYSA-N 0 0 370.478 3.437 50 0 FGAARN COc1cccc2c1OCCCN(Cc1cn(-c3ccccc3)nn1)C2 ZINC000072132061 494130695 /nfs/dbraw/zinc/13/06/95/494130695.db2.gz YZNHSUCDVMDPRK-UHFFFAOYSA-N 0 0 350.422 3.061 50 0 FGAARN O=C(c1cnc(CN2CCCC2)s1)N1CCC[C@@H](Nc2ccccc2)C1 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CCOC(=O)CCCNC(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000009836422 494133230 /nfs/dbraw/zinc/13/32/30/494133230.db2.gz YAFBEKPWVYIAGF-UHFFFAOYSA-N 0 0 373.478 3.059 50 0 FGAARN O=C(C1CC1)N1CCC[C@H](Nc2cc(-c3ccccc3)nc3ccnn32)C1 ZINC000072144928 494133400 /nfs/dbraw/zinc/13/34/00/494133400.db2.gz BGIXQUVOJZUMPG-KRWDZBQOSA-N 0 0 361.449 3.209 50 0 FGAARN CCNC(=O)c1cccc(CNC(=O)CCOc2ccc(C)cc2C)c1 ZINC000040113324 494134089 /nfs/dbraw/zinc/13/40/89/494134089.db2.gz BHGWCGCOMBECAU-UHFFFAOYSA-N 0 0 354.450 3.138 50 0 FGAARN CCCc1nc(C(=O)N2CCC3(CC2)c2ccccc2C[C@@H]3O)cs1 ZINC000072147534 494134181 /nfs/dbraw/zinc/13/41/81/494134181.db2.gz OAOHOFIQDJVJMS-KRWDZBQOSA-N 0 0 356.491 3.187 50 0 FGAARN Cc1ccc(-n2cnnn2)cc1NC(=O)N(C)Cc1ccccc1Cl ZINC000040120616 494134180 /nfs/dbraw/zinc/13/41/80/494134180.db2.gz QNSRZYALEIZAKR-UHFFFAOYSA-N 0 0 356.817 3.288 50 0 FGAARN Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)o1 ZINC000040122388 494134478 /nfs/dbraw/zinc/13/44/78/494134478.db2.gz ZBMGSDIPHCDKLG-UHFFFAOYSA-N 0 0 367.232 3.493 50 0 FGAARN CS[C@@H](C)C(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040121241 494134488 /nfs/dbraw/zinc/13/44/88/494134488.db2.gz AZUUYDCCZSFPPF-SMDDNHRTSA-N 0 0 374.428 3.237 50 0 FGAARN COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C ZINC000040128171 494134500 /nfs/dbraw/zinc/13/45/00/494134500.db2.gz CEGQDPAERRUQIL-UHFFFAOYSA-N 0 0 350.802 3.340 50 0 FGAARN CCCc1nc(C(=O)N2CCC3(CC2)c2ccccc2C[C@H]3O)cs1 ZINC000072147535 494134737 /nfs/dbraw/zinc/13/47/37/494134737.db2.gz OAOHOFIQDJVJMS-QGZVFWFLSA-N 0 0 356.491 3.187 50 0 FGAARN CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)C2CC2)cc1 ZINC000040122805 494135105 /nfs/dbraw/zinc/13/51/05/494135105.db2.gz DOZZXKLYSAKIHX-UHFFFAOYSA-N 0 0 354.406 3.342 50 0 FGAARN Cc1ccsc1CN(C)C(=O)CCn1cnc2c(C)cccc2c1=O ZINC000053464812 494135124 /nfs/dbraw/zinc/13/51/24/494135124.db2.gz QXJZJPODXDNZAE-UHFFFAOYSA-N 0 0 355.463 3.124 50 0 FGAARN NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3ccccc3n2)c1 ZINC000009903564 494135249 /nfs/dbraw/zinc/13/52/49/494135249.db2.gz 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ZINC000072154073 494136738 /nfs/dbraw/zinc/13/67/38/494136738.db2.gz DTADXLCVNCFKGF-QFIPXVFZSA-N 0 0 370.493 3.130 50 0 FGAARN CN(Cc1ccccc1)c1cnn(Cc2cc(F)c(F)c(F)c2)c(=O)c1 ZINC000072154953 494136995 /nfs/dbraw/zinc/13/69/95/494136995.db2.gz WUEJKCHHEMMFDN-UHFFFAOYSA-N 0 0 359.351 3.345 50 0 FGAARN CN(C)C(=O)c1cccc(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)c1 ZINC000040155407 494137875 /nfs/dbraw/zinc/13/78/75/494137875.db2.gz DZXHOJKKOSOFOZ-UHFFFAOYSA-N 0 0 358.398 3.319 50 0 FGAARN CC(=O)N[C@H](CC(=O)N1CCc2[nH]c3ccccc3c2C1)c1cccs1 ZINC000009956389 494138080 /nfs/dbraw/zinc/13/80/80/494138080.db2.gz LDTGMHZGGZEIOY-GOSISDBHSA-N 0 0 367.474 3.382 50 0 FGAARN COC(=O)COc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1OC ZINC000040285822 494139484 /nfs/dbraw/zinc/13/94/84/494139484.db2.gz HAAXCJCTHABIED-AUWJEWJLSA-N 0 0 373.792 3.393 50 0 FGAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC)cc1 ZINC000085874765 494139567 /nfs/dbraw/zinc/13/95/67/494139567.db2.gz LFAKAWGSWHXZEA-LPHOPBHVSA-N 0 0 366.369 3.258 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/nfs/dbraw/zinc/14/70/26/494147026.db2.gz AKCGFAOWDMDSPM-PXNSSMCTSA-N 0 0 370.424 3.060 50 0 FGAARN O=C(NCc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000064761402 494147346 /nfs/dbraw/zinc/14/73/46/494147346.db2.gz QLPYEDRSRLTABF-MRXNPFEDSA-N 0 0 374.843 3.187 50 0 FGAARN CON(C)C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000072272665 494147532 /nfs/dbraw/zinc/14/75/32/494147532.db2.gz XMLAGPOTVYCLDJ-ICSRJNTNSA-N 0 0 352.434 3.186 50 0 FGAARN Cc1cccc(C)c1NC(=O)CNC(=O)NCCc1cccc(Cl)c1 ZINC000010257594 494147611 /nfs/dbraw/zinc/14/76/11/494147611.db2.gz QSZODKBGGNUSAN-UHFFFAOYSA-N 0 0 359.857 3.437 50 0 FGAARN CC[C@H]1CCCCN1C(=O)CN(C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072291818 494148825 /nfs/dbraw/zinc/14/88/25/494148825.db2.gz WVKFKHLLWARZRE-FPOVZHCZSA-N 0 0 372.488 3.372 50 0 FGAARN O=C(Nc1cccnc1)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000072301427 494148845 /nfs/dbraw/zinc/14/88/45/494148845.db2.gz TYTGLIUGRQJOOS-MRXNPFEDSA-N 0 0 366.248 3.400 50 0 FGAARN COc1cccc(-c2csc3ncc(C(=O)NC4CCCC4)c(=O)n23)c1 ZINC000064787905 494148960 /nfs/dbraw/zinc/14/89/60/494148960.db2.gz OYDYGFDLRDJWEG-UHFFFAOYSA-N 0 0 369.446 3.104 50 0 FGAARN C[C@@H]1CCCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000072302634 494149073 /nfs/dbraw/zinc/14/90/73/494149073.db2.gz LBDVRBCQHRIQCF-SECBINFHSA-N 0 0 369.206 3.040 50 0 FGAARN Cc1csc2nc(COc3cccc(NC(=O)C(C)C)c3)cc(=O)n12 ZINC000064775671 494149444 /nfs/dbraw/zinc/14/94/44/494149444.db2.gz IUJZPLRLLVHLES-UHFFFAOYSA-N 0 0 357.435 3.238 50 0 FGAARN COc1ccc(C[C@H](CO)CNC(=O)Nc2cccc(Cl)c2)cc1O ZINC000072304715 494149702 /nfs/dbraw/zinc/14/97/02/494149702.db2.gz XKEDAXPCOIXZSJ-ZDUSSCGKSA-N 0 0 364.829 3.027 50 0 FGAARN CN([C@@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)N1CCCCCC1 ZINC000072307444 494149859 /nfs/dbraw/zinc/14/98/59/494149859.db2.gz ZVRMXNFKCLXAES-KRWDZBQOSA-N 0 0 353.532 3.091 50 0 FGAARN COCCCNC(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000041154668 494149879 /nfs/dbraw/zinc/14/98/79/494149879.db2.gz QAHMFVNGRGSNDZ-UHFFFAOYSA-N 0 0 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366.436 3.094 50 0 FGAARN O=C(NCc1ccc(F)cc1)[C@H]1CN(C(=O)C2CC2)C[C@@H]1c1ccccc1 ZINC000036041259 494084354 /nfs/dbraw/zinc/08/43/54/494084354.db2.gz UYIWVLBKKATTOV-UXHICEINSA-N 0 0 366.436 3.094 50 0 FGAARN Cc1nc([C@@H](C)N(C)C(=O)CCn2c3ccccc3[nH]c2=O)c(C)s1 ZINC000077453384 494085920 /nfs/dbraw/zinc/08/59/20/494085920.db2.gz YUXANPRSEIKQBH-LLVKDONJSA-N 0 0 358.467 3.013 50 0 FGAARN COc1cccc(CN(Cc2ccco2)C[C@H](O)COC(C)C)c1OC ZINC000036103600 494087071 /nfs/dbraw/zinc/08/70/71/494087071.db2.gz AUNGRZQIFZYACQ-KRWDZBQOSA-N 0 0 363.454 3.085 50 0 FGAARN O=C(Nc1ccc(F)c(Cl)c1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000036358456 494090286 /nfs/dbraw/zinc/09/02/86/494090286.db2.gz UWNIRBLYCYWXKM-UHFFFAOYSA-N 0 0 363.805 3.257 50 0 FGAARN Cc1c(Cl)cccc1NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000036387072 494091339 /nfs/dbraw/zinc/09/13/39/494091339.db2.gz SIPATNHPFXZTJD-IJEWVQPXSA-N 0 0 367.902 3.313 50 0 FGAARN CCC(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036392694 494091579 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ZINC000036646817 494094876 /nfs/dbraw/zinc/09/48/76/494094876.db2.gz GCYSNHRTNLLAED-UHFFFAOYSA-N 0 0 354.185 3.335 50 0 FGAARN O=C(NCCCN1CCO[C@H](c2ccccc2)C1)c1c(F)cccc1F ZINC000036699926 494095770 /nfs/dbraw/zinc/09/57/70/494095770.db2.gz PFIILUOJOPBNGC-SFHVURJKSA-N 0 0 360.404 3.158 50 0 FGAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCCCC1=O ZINC000036703006 494095879 /nfs/dbraw/zinc/09/58/79/494095879.db2.gz GJVCSDLJQCFBJS-UHFFFAOYSA-N 0 0 366.889 3.406 50 0 FGAARN COc1cccc(CNC(=O)c2ccc3c(c2)nnn3C2CCCC2)c1 ZINC000008599045 494097551 /nfs/dbraw/zinc/09/75/51/494097551.db2.gz WDDVEUOFIUVJMS-UHFFFAOYSA-N 0 0 350.422 3.485 50 0 FGAARN CC(=O)NCCc1nc2cc(NC(=O)c3ccccc3Cl)ccc2n1C ZINC000008656508 494099281 /nfs/dbraw/zinc/09/92/81/494099281.db2.gz ULCCNGIXNUVFPJ-UHFFFAOYSA-N 0 0 370.840 3.158 50 0 FGAARN CC(C)N1C[C@@]2(CCCN(c3noc(-c4ccccc4)n3)C2)CCC1=O ZINC000077505191 494099261 /nfs/dbraw/zinc/09/92/61/494099261.db2.gz GMMQNMHSJBHQCT-FQEVSTJZSA-N 0 0 354.454 3.354 50 0 FGAARN 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494720227 /nfs/dbraw/zinc/72/02/27/494720227.db2.gz MTQCSFAFMGGTLL-INIZCTEOSA-N 0 0 362.470 3.096 50 0 FGAARN Cc1ccc(-c2nc(CN3CC[C@]4(C3)CCCN(C(C)C)C4=O)no2)cc1 ZINC000091915464 494721030 /nfs/dbraw/zinc/72/10/30/494721030.db2.gz VINVIMJZMYEHRS-NRFANRHFSA-N 0 0 368.481 3.268 50 0 FGAARN CCOC(=O)c1cc(NC(=O)/C=C/c2ccccn2)cc(C(=O)OCC)c1 ZINC000047520904 494725212 /nfs/dbraw/zinc/72/52/12/494725212.db2.gz HVIWQWRKUGDUIJ-CMDGGOBGSA-N 0 0 368.389 3.087 50 0 FGAARN COc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1OC ZINC000025375965 494731249 /nfs/dbraw/zinc/73/12/49/494731249.db2.gz XHYSHBRZAYMRMT-GHMZBOCLSA-N 0 0 367.389 3.103 50 0 FGAARN CCCC(=O)N(Cc1nc2nc(C)cc(C)n2n1)c1ccccc1OC ZINC000075330367 494732357 /nfs/dbraw/zinc/73/23/57/494732357.db2.gz FWXJHJIHKBTSDN-UHFFFAOYSA-N 0 0 353.426 3.083 50 0 FGAARN O=C(NCc1ccc2c(c1)OCCCO2)c1c[nH]nc1-c1cccc(F)c1 ZINC000091952270 494732586 /nfs/dbraw/zinc/73/25/86/494732586.db2.gz GNMHFRCHGIJDOH-UHFFFAOYSA-N 0 0 367.380 3.307 50 0 FGAARN 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O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1cnccn1 ZINC000040074491 220877055 /nfs/dbraw/zinc/87/70/55/220877055.db2.gz UGJGZKAQPJMSAP-CQSZACIVSA-N 0 0 365.220 3.027 50 0 FGAARN COc1ccccc1C(=O)NCCC(=O)N1CCC[C@H]1c1ccsc1 ZINC000040107706 220882289 /nfs/dbraw/zinc/88/22/89/220882289.db2.gz AJCBXDUBQCJEKG-INIZCTEOSA-N 0 0 358.463 3.240 50 0 FGAARN CNC(=O)c1cccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)c1 ZINC000040114887 220883474 /nfs/dbraw/zinc/88/34/74/220883474.db2.gz ATLLBHLIPOCUTI-UHFFFAOYSA-N 0 0 354.406 3.355 50 0 FGAARN COCCN(C(=O)c1cccc(C(=O)OC)c1)c1nc2ccccc2s1 ZINC000040132745 220886898 /nfs/dbraw/zinc/88/68/98/220886898.db2.gz VDMBHVMSDHSDFJ-UHFFFAOYSA-N 0 0 370.430 3.376 50 0 FGAARN CC(C)n1ncc2cc(NC(=O)c3csc(-c4cnn(C)c4)n3)cnc21 ZINC000040144154 220887498 /nfs/dbraw/zinc/88/74/98/220887498.db2.gz DCWJPWWRGDLXHH-UHFFFAOYSA-N 0 0 367.438 3.122 50 0 FGAARN Cc1noc(-c2cccc(NC(=O)CCCNC(=O)c3ccccc3)c2)n1 ZINC000040152557 220888769 /nfs/dbraw/zinc/88/87/69/220888769.db2.gz 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/nfs/dbraw/zinc/93/09/39/220930939.db2.gz BAXNWNBFKAQKDJ-UHFFFAOYSA-N 0 0 352.390 3.117 50 0 FGAARN CCOC(=O)[C@@H]1CCc2sc(NC(=O)Cn3ccc4ccccc43)nc21 ZINC000042381393 220939368 /nfs/dbraw/zinc/93/93/68/220939368.db2.gz DHVQPIWHAUSSPB-CYBMUJFWSA-N 0 0 369.446 3.329 50 0 FGAARN COCC(=O)Nc1cccc(NC(=O)N(C)[C@H]2CCc3ccccc32)c1 ZINC000044108769 220951708 /nfs/dbraw/zinc/95/17/08/220951708.db2.gz CEJJVKHGRFTDQP-SFHVURJKSA-N 0 0 353.422 3.423 50 0 FGAARN CN(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000044301449 220955013 /nfs/dbraw/zinc/95/50/13/220955013.db2.gz USRTVCSNANOUBB-OAHLLOKOSA-N 0 0 374.840 3.199 50 0 FGAARN O=C(NCCC1=CCCCC1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000045727182 220973995 /nfs/dbraw/zinc/97/39/95/220973995.db2.gz FMHRZAMTHPLOIS-UHFFFAOYSA-N 0 0 353.422 3.468 50 0 FGAARN Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)N1CCCC[C@@H]1C ZINC000046023913 220979660 /nfs/dbraw/zinc/97/96/60/220979660.db2.gz JEQLQKAJMYCUQE-LBPRGKRZSA-N 0 0 369.494 3.413 50 0 FGAARN Cc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccccc3F)C2)cc1 ZINC000046044455 220979885 /nfs/dbraw/zinc/97/98/85/220979885.db2.gz MGPBQFAFIGQXTJ-SFHVURJKSA-N 0 0 368.452 3.345 50 0 FGAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)C(C)C)C3)s2)cc1 ZINC000046123097 220981277 /nfs/dbraw/zinc/98/12/77/220981277.db2.gz RHJZIKSMKXYVBS-CQSZACIVSA-N 0 0 372.494 3.461 50 0 FGAARN CC(C)n1ncc2cc(C(=O)NC[C@@H](O)c3cccc(Cl)c3)cnc21 ZINC000046688566 220984472 /nfs/dbraw/zinc/98/44/72/220984472.db2.gz NAXFZDPIYOESLR-MRXNPFEDSA-N 0 0 358.829 3.129 50 0 FGAARN Cc1ccc(C)c(S(=O)(=O)NCc2nc3cccnc3n2CC(C)C)c1 ZINC000047147188 220988282 /nfs/dbraw/zinc/98/82/82/220988282.db2.gz SBRGMXQGBGASSL-UHFFFAOYSA-N 0 0 372.494 3.183 50 0 FGAARN O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000048302465 221006623 /nfs/dbraw/zinc/00/66/23/221006623.db2.gz IIEVJYPTPANEEY-HXUWFJFHSA-N 0 0 364.445 3.425 50 0 FGAARN CC(C)(C)c1nnnn1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000048301592 221006860 /nfs/dbraw/zinc/00/68/60/221006860.db2.gz 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221009137 /nfs/dbraw/zinc/00/91/37/221009137.db2.gz MABFUBCQQVIOSG-UHFFFAOYSA-N 0 0 352.434 3.008 50 0 FGAARN C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccc3nsnc32)o1 ZINC000048332767 221009334 /nfs/dbraw/zinc/00/93/34/221009334.db2.gz WEYADSMNGQGGDS-CMPLNLGQSA-N 0 0 363.464 3.228 50 0 FGAARN Cc1cc(NC(=O)CSCC(=O)N2CCC[C@@H]2c2ccccc2C)no1 ZINC000048365883 221010965 /nfs/dbraw/zinc/01/09/65/221010965.db2.gz OACVZBJRMXITEI-MRXNPFEDSA-N 0 0 373.478 3.327 50 0 FGAARN CCn1cc(C(=O)Nc2cc(Cl)ccc2O)c(=O)c2ccc(C)nc21 ZINC000049002250 221015567 /nfs/dbraw/zinc/01/55/67/221015567.db2.gz VEVHNCBJJYJSQH-UHFFFAOYSA-N 0 0 357.797 3.336 50 0 FGAARN Cc1c(C(=O)NCCc2cccc3cccnc32)nnn1-c1ccc(C)cc1 ZINC000048375059 221011903 /nfs/dbraw/zinc/01/19/03/221011903.db2.gz KEABDGVTDVZBQG-UHFFFAOYSA-N 0 0 371.444 3.405 50 0 FGAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)c3ccncc3)CC2)C1(C)C ZINC000048375422 221011986 /nfs/dbraw/zinc/01/19/86/221011986.db2.gz KFCWURXVNVXTFV-MSOLQXFVSA-N 0 0 355.482 3.041 50 0 FGAARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000048400728 221012267 /nfs/dbraw/zinc/01/22/67/221012267.db2.gz LWVUOMUEMRLSMU-HNNXBMFYSA-N 0 0 365.408 3.269 50 0 FGAARN COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000048237782 221001668 /nfs/dbraw/zinc/00/16/68/221001668.db2.gz SKYMUBNIAIXCIL-UHFFFAOYSA-N 0 0 353.418 3.042 50 0 FGAARN Cn1ccnc1COc1ccc(C(=O)NCCSC2CCCC2)cc1 ZINC000048234138 221001963 /nfs/dbraw/zinc/00/19/63/221001963.db2.gz BZLIUXDLQMAYJO-UHFFFAOYSA-N 0 0 359.495 3.405 50 0 FGAARN CCOC(=O)c1nc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000048236471 221002213 /nfs/dbraw/zinc/00/22/13/221002213.db2.gz PYWXDUNUXHVNID-ZDUSSCGKSA-N 0 0 371.466 3.094 50 0 FGAARN Cc1cn(-c2ccc(SCC(=O)NCc3ccc(Cl)cc3)nn2)cn1 ZINC000049401156 221021921 /nfs/dbraw/zinc/02/19/21/221021921.db2.gz MNMSWJMIWKSDMC-UHFFFAOYSA-N 0 0 373.869 3.033 50 0 FGAARN COc1ccc(NC(=O)Cc2nnc(-c3sccc3C)o2)c(OC)c1 ZINC000049409414 221022077 /nfs/dbraw/zinc/02/20/77/221022077.db2.gz UHXNLDKBLDYJFS-UHFFFAOYSA-N 0 0 359.407 3.305 50 0 FGAARN CCc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCS2)cc1 ZINC000049403633 221022137 /nfs/dbraw/zinc/02/21/37/221022137.db2.gz JSIOIRBDUYZEBH-UHFFFAOYSA-N 0 0 351.431 3.317 50 0 FGAARN C[C@H](CCc1ccccc1)NC(=O)Cn1nc(-c2cccs2)ccc1=O ZINC000049544949 221024803 /nfs/dbraw/zinc/02/48/03/221024803.db2.gz BCFBOIVTDGOIHA-OAHLLOKOSA-N 0 0 367.474 3.109 50 0 FGAARN COc1ccccc1OCC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000049701686 221026800 /nfs/dbraw/zinc/02/68/00/221026800.db2.gz UHJVOVAGVLMAJT-QGZVFWFLSA-N 0 0 353.418 3.196 50 0 FGAARN O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1ccc(F)c(F)c1F ZINC000049958859 221028855 /nfs/dbraw/zinc/02/88/55/221028855.db2.gz ZGUQHQXUAQRHFW-UHFFFAOYSA-N 0 0 354.353 3.023 50 0 FGAARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1c[nH]c2cc(F)ccc12 ZINC000050766440 221032750 /nfs/dbraw/zinc/03/27/50/221032750.db2.gz NOYBBLITMJIJHE-BLVKFPJESA-N 0 0 354.381 3.194 50 0 FGAARN OCc1nc2ccccc2n1C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000051092909 221033433 /nfs/dbraw/zinc/03/34/33/221033433.db2.gz ZMXUFHORWYXHBG-HNNXBMFYSA-N 0 0 352.312 3.161 50 0 FGAARN CCOc1ccccc1C(=O)OCC(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000051356627 221035385 /nfs/dbraw/zinc/03/53/85/221035385.db2.gz YVULSEPYZZEBAJ-CQSZACIVSA-N 0 0 357.406 3.128 50 0 FGAARN CCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccc(OC)cc1 ZINC000051356625 221035637 /nfs/dbraw/zinc/03/56/37/221035637.db2.gz YVULSEPYZZEBAJ-AWEZNQCLSA-N 0 0 357.406 3.128 50 0 FGAARN CCOc1ccc([C@@H]2CCCN2CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000052584205 221039266 /nfs/dbraw/zinc/03/92/66/221039266.db2.gz HFMGDDBXVBGZJH-SFHVURJKSA-N 0 0 371.481 3.434 50 0 FGAARN O=c1ccn(-c2ccc(F)c(F)c2)nc1-c1nc(-c2cccc(F)c2)no1 ZINC000049006397 221016997 /nfs/dbraw/zinc/01/69/97/221016997.db2.gz BUMOIOSIGINYCP-UHFFFAOYSA-N 0 0 370.290 3.367 50 0 FGAARN COc1ccc(-c2oc3cc4c(c(OC)c3c(=O)c2OC)OCO4)cc1 ZINC000049181202 221020796 /nfs/dbraw/zinc/02/07/96/221020796.db2.gz LWUQVHKGVXRUPD-UHFFFAOYSA-N 0 0 356.330 3.215 50 0 biogenic,in-vitro FGAARN CCc1oc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C[NH+]1CCCC1 ZINC000055042474 221057611 /nfs/dbraw/zinc/05/76/11/221057611.db2.gz WIVCBCVSMOVJGT-MRXNPFEDSA-N 0 0 362.470 3.297 50 0 FGAARN CCSCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000055096557 221058176 /nfs/dbraw/zinc/05/81/76/221058176.db2.gz DJOPYECWYUVOFB-UHFFFAOYSA-N 0 0 360.523 3.414 50 0 FGAARN Cc1cc(C)n(C)c(=O)c1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1C ZINC000055089249 221058577 /nfs/dbraw/zinc/05/85/77/221058577.db2.gz VFICBFYCFOMUJI-UHFFFAOYSA-N 0 0 369.465 3.091 50 0 FGAARN C[C@H](Nc1cccc2c1OCCO2)C(=O)Nc1ccc(F)c(F)c1F ZINC000055156660 221060152 /nfs/dbraw/zinc/06/01/52/221060152.db2.gz YKXPUSAIPIBKQL-VIFPVBQESA-N 0 0 352.312 3.314 50 0 FGAARN Cc1cccc(NC(=O)Nc2cccc(CN3C(=O)[C@@H](C)NC3=S)c2)c1 ZINC000055179933 221060946 /nfs/dbraw/zinc/06/09/46/221060946.db2.gz NYSQAKHZYBEIIB-CYBMUJFWSA-N 0 0 368.462 3.244 50 0 FGAARN Cc1cc(C)c(NC(=O)CCC(=O)NCc2cncn2CC(C)C)c(C)c1 ZINC000055182787 221061490 /nfs/dbraw/zinc/06/14/90/221061490.db2.gz 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/nfs/dbraw/zinc/06/60/73/221066073.db2.gz RZIFMFYIYDCDBO-MRXNPFEDSA-N 0 0 356.466 3.439 50 0 FGAARN Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)cccc1C(=O)NC(C)(C)C ZINC000055327249 221066102 /nfs/dbraw/zinc/06/61/02/221066102.db2.gz ZEPSFWIHSHRFTN-SFHVURJKSA-N 0 0 368.433 3.302 50 0 FGAARN CN(Cc1nccn1C)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000052954348 221041502 /nfs/dbraw/zinc/04/15/02/221041502.db2.gz CAWYVRGGZNXOPT-UHFFFAOYSA-N 0 0 363.421 3.336 50 0 FGAARN COc1ccc([C@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)c(OC)c1 ZINC000052955421 221041603 /nfs/dbraw/zinc/04/16/03/221041603.db2.gz HTHVYGBZIXIWRR-OXQOHEQNSA-N 0 0 369.417 3.207 50 0 FGAARN O=C(Nc1ccc(C(=O)Nc2ccccc2-n2ccnc2)cc1)NC1CC1 ZINC000052927024 221042339 /nfs/dbraw/zinc/04/23/39/221042339.db2.gz BRKDQOMFEKYQEB-UHFFFAOYSA-N 0 0 361.405 3.409 50 0 FGAARN O=C(c1cc(N2CCCCCCC2)nc2ccccc21)N1CCOCC1 ZINC000053214662 221043059 /nfs/dbraw/zinc/04/30/59/221043059.db2.gz LSGDXKLBUDQHON-UHFFFAOYSA-N 0 0 353.466 3.478 50 0 FGAARN CC(C)c1ccc(-c2noc(Cn3nc(-c4ccco4)oc3=O)n2)cc1 ZINC000053361817 221044678 /nfs/dbraw/zinc/04/46/78/221044678.db2.gz OLJWZDCWNOGRBF-UHFFFAOYSA-N 0 0 352.350 3.318 50 0 FGAARN CN(C)c1c(F)cc(NC(=O)c2cccc(C[S@@](C)=O)c2)cc1F ZINC000054118252 221050415 /nfs/dbraw/zinc/05/04/15/221050415.db2.gz WHMNPCIOWXQPES-DEOSSOPVSA-N 0 0 352.406 3.162 50 0 FGAARN CC(C)n1ncc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cnc21 ZINC000054226701 221050758 /nfs/dbraw/zinc/05/07/58/221050758.db2.gz JPWNKLAKVZROSM-ZDUSSCGKSA-N 0 0 366.421 3.274 50 0 FGAARN O=C(Nc1ccc(NC(=O)c2cccc[n+]2[O-])cc1)c1ccc(Cl)cc1 ZINC000054256346 221051176 /nfs/dbraw/zinc/05/11/76/221051176.db2.gz HOMYQRMROIDVDX-UHFFFAOYSA-N 0 0 367.792 3.478 50 0 FGAARN CC(C)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1 ZINC000054658915 221054052 /nfs/dbraw/zinc/05/40/52/221054052.db2.gz FUJAQFMHLYDVLM-JOCHJYFZSA-N 0 0 361.445 3.424 50 0 FGAARN NC(=O)c1cccc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000054674989 221055234 /nfs/dbraw/zinc/05/52/34/221055234.db2.gz 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C[C@H](Oc1cccc(F)c1)C(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000055800360 221074865 /nfs/dbraw/zinc/07/48/65/221074865.db2.gz OSIBNJMLEFXDLS-KXBFYZLASA-N 0 0 358.413 3.196 50 0 FGAARN Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000056098401 221076815 /nfs/dbraw/zinc/07/68/15/221076815.db2.gz BWCAHWZRSHFNOQ-UHFFFAOYSA-N 0 0 364.467 3.140 50 0 FGAARN C/C(=C/C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1)C1CC1 ZINC000056060276 221076880 /nfs/dbraw/zinc/07/68/80/221076880.db2.gz ASRNZAXOCDBGPA-RAXLEYEMSA-N 0 0 360.435 3.053 50 0 FGAARN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCC(C(=O)NC3CC3)CC2)c1 ZINC000056402048 221079762 /nfs/dbraw/zinc/07/97/62/221079762.db2.gz SLYSROORTGNLOA-OAHLLOKOSA-N 0 0 373.497 3.235 50 0 FGAARN NC(=O)Nc1ccc(CNC(=O)CCOc2ccc(F)cc2Cl)cc1 ZINC000056325788 221080245 /nfs/dbraw/zinc/08/02/45/221080245.db2.gz GEWKUBNSMGFZMM-UHFFFAOYSA-N 0 0 365.792 3.055 50 0 FGAARN O=C(CCc1ccc(F)cc1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000056467256 221080936 /nfs/dbraw/zinc/08/09/36/221080936.db2.gz 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221088155 /nfs/dbraw/zinc/08/81/55/221088155.db2.gz UAJBUPXARBRTLX-UHFFFAOYSA-N 0 0 363.417 3.481 50 0 FGAARN COc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)n[nH]2)c1 ZINC000057412800 221088517 /nfs/dbraw/zinc/08/85/17/221088517.db2.gz LGTXOICGSUISES-UHFFFAOYSA-N 0 0 353.378 3.355 50 0 FGAARN CN(CC(=O)Nc1ccccc1)C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000057471179 221089392 /nfs/dbraw/zinc/08/93/92/221089392.db2.gz AAMDIPCQROKSJW-UHFFFAOYSA-N 0 0 368.824 3.236 50 0 FGAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)NCc3ccco3)n2)cc1 ZINC000057486901 221089461 /nfs/dbraw/zinc/08/94/61/221089461.db2.gz JLMUHHPRAUTVLH-UHFFFAOYSA-N 0 0 362.389 3.423 50 0 FGAARN O=C(COC(=O)c1cc(F)ccc1F)NCc1ccc(F)c(Cl)c1 ZINC000057472338 221089709 /nfs/dbraw/zinc/08/97/09/221089709.db2.gz HYUHXHQGNJJMPC-UHFFFAOYSA-N 0 0 357.715 3.231 50 0 FGAARN CCc1cc(=O)n(CC(=O)Nc2cccc(F)c2)c(-c2ccc(F)cc2)n1 ZINC000057508759 221090279 /nfs/dbraw/zinc/09/02/79/221090279.db2.gz WTOWNIJVMZUZRQ-UHFFFAOYSA-N 0 0 369.371 3.390 50 0 FGAARN CCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2cccc(F)c2)n1 ZINC000057508208 221091142 /nfs/dbraw/zinc/09/11/42/221091142.db2.gz FRHSSMNFFGPCBX-UHFFFAOYSA-N 0 0 351.381 3.251 50 0 FGAARN Cc1ccccc1CN(C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 ZINC000057568833 221092319 /nfs/dbraw/zinc/09/23/19/221092319.db2.gz QRLHBGZAJVQWFS-UHFFFAOYSA-N 0 0 374.506 3.134 50 0 FGAARN O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC(=O)Nc1ccccc1 ZINC000057756094 221092948 /nfs/dbraw/zinc/09/29/48/221092948.db2.gz ORSSBSMQDKRSCC-INIZCTEOSA-N 0 0 373.478 3.077 50 0 FGAARN Cc1cc(=O)c(C(=O)NC(C)(C)C)nn1-c1ccccc1C(F)(F)F ZINC000057880935 221095186 /nfs/dbraw/zinc/09/51/86/221095186.db2.gz GKFLOYPBHWQFNX-UHFFFAOYSA-N 0 0 353.344 3.088 50 0 FGAARN COc1ccc(C)cc1CN(C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 ZINC000057996807 221096422 /nfs/dbraw/zinc/09/64/22/221096422.db2.gz JPBSQYDLBXPMKL-UHFFFAOYSA-N 0 0 360.498 3.247 50 0 FGAARN CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000058101883 221098142 /nfs/dbraw/zinc/09/81/42/221098142.db2.gz 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/nfs/dbraw/zinc/85/08/71/493850871.db2.gz NHQHJEUVBYEWDF-UKTHLTGXSA-N 0 0 363.822 3.305 50 0 FGAARN COc1cccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1 ZINC000003520176 493851324 /nfs/dbraw/zinc/85/13/24/493851324.db2.gz VKLVSPDSSGGPPQ-UHFFFAOYSA-N 0 0 372.425 3.361 50 0 FGAARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2Br)c(C)o1 ZINC000003525573 493851400 /nfs/dbraw/zinc/85/14/00/493851400.db2.gz JGZGGTAMGVWARC-UHFFFAOYSA-N 0 0 352.184 3.454 50 0 FGAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)c(C)c1 ZINC000003541785 493852243 /nfs/dbraw/zinc/85/22/43/493852243.db2.gz QYHRMZOYEAPKBJ-UHFFFAOYSA-N 0 0 357.429 3.260 50 0 FGAARN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O ZINC000003595814 493855065 /nfs/dbraw/zinc/85/50/65/493855065.db2.gz ZIVJQGYZHAPTPY-KPZWWZAWSA-N 0 0 363.845 3.088 50 0 FGAARN COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000003815352 493858004 /nfs/dbraw/zinc/85/80/04/493858004.db2.gz RNCVPFCGSMNPPO-UHFFFAOYSA-N 0 0 371.393 3.416 50 0 in-vivo FGAARN Cc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000029805667 493859617 /nfs/dbraw/zinc/85/96/17/493859617.db2.gz XFOFAHXEMRZDCH-FQEVSTJZSA-N 0 0 372.896 3.381 50 0 FGAARN COc1ccc2cc(CCNC(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000003911783 493859879 /nfs/dbraw/zinc/85/98/79/493859879.db2.gz COAHSTJYWQIPHW-UHFFFAOYSA-N 0 0 356.809 3.163 50 0 FGAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2CC(=O)C(C)(C)C ZINC000003910146 493860058 /nfs/dbraw/zinc/86/00/58/493860058.db2.gz POTVOEVQTYYMRW-UHFFFAOYSA-N 0 0 370.474 3.446 50 0 FGAARN C[C@@H]1CCC[C@H](NC(=O)CCCCCn2nnc3ccccc3c2=O)[C@@H]1C ZINC000003912115 493860274 /nfs/dbraw/zinc/86/02/74/493860274.db2.gz RQMKDEVFAKLHJD-NUJGCVRESA-N 0 0 370.497 3.293 50 0 FGAARN CCCN1C(=O)N=NC1S[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000029838727 493861242 /nfs/dbraw/zinc/86/12/42/493861242.db2.gz KUUBXCYSJUBIAA-SECBINFHSA-N 0 0 372.397 3.114 50 0 FGAARN Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000004035153 493862539 /nfs/dbraw/zinc/86/25/39/493862539.db2.gz 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0 FGAARN Cc1cccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C(C(N)=O)=C(C)N3)c1 ZINC000004318807 493872131 /nfs/dbraw/zinc/87/21/31/493872131.db2.gz NGQDGPAUMSAYPX-QGZVFWFLSA-N 0 0 363.396 3.167 50 0 FGAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000004306150 493872176 /nfs/dbraw/zinc/87/21/76/493872176.db2.gz QIIZWYGZQPSNKN-NRFANRHFSA-N 0 0 365.433 3.099 50 0 FGAARN O=S(=O)(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cccs1 ZINC000004305166 493872189 /nfs/dbraw/zinc/87/21/89/493872189.db2.gz DWSUNHNPOZOUDS-MRXNPFEDSA-N 0 0 374.487 3.423 50 0 FGAARN COc1ccc(NC(=O)CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000004315303 493872262 /nfs/dbraw/zinc/87/22/62/493872262.db2.gz DTGILRIGVIAUKW-OAHLLOKOSA-N 0 0 364.449 3.390 50 0 FGAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 ZINC000004304968 493872445 /nfs/dbraw/zinc/87/24/45/493872445.db2.gz IGOJWQXZHMQTNM-UHFFFAOYSA-N 0 0 373.459 3.251 50 0 FGAARN O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1cccnc1 ZINC000004329816 493873161 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O=C(CSc1nc2cc(Cl)ccc2[nH]1)NC(=O)NC1CCCCC1 ZINC000004406723 493876415 /nfs/dbraw/zinc/87/64/15/493876415.db2.gz BQYLSUXOOMJIOY-UHFFFAOYSA-N 0 0 366.874 3.467 50 0 FGAARN CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)N(C)C1=S ZINC000004472237 493877112 /nfs/dbraw/zinc/87/71/12/493877112.db2.gz QPDQBBHIWIIBOP-WJDWOHSUSA-N 0 0 356.422 3.434 50 0 FGAARN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000004462929 493877116 /nfs/dbraw/zinc/87/71/16/493877116.db2.gz DEUMKYDAYXZALA-GFCCVEGCSA-N 0 0 366.373 3.024 50 0 FGAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000030134409 493877860 /nfs/dbraw/zinc/87/78/60/493877860.db2.gz IVTJIRMVEVWWGU-UHFFFAOYSA-N 0 0 355.438 3.113 50 0 FGAARN O=C(Nc1c(=O)oc2ccccc2c1N1CCOCC1)c1cccc(F)c1 ZINC000049648721 493878142 /nfs/dbraw/zinc/87/81/42/493878142.db2.gz CQYMUOKGJNORTJ-UHFFFAOYSA-N 0 0 368.364 3.021 50 0 FGAARN COc1ccccc1OCCN1c2ccc(C)cc2C2(OCCCO2)C1=O ZINC000004487906 493878543 /nfs/dbraw/zinc/87/85/43/493878543.db2.gz 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493882824 /nfs/dbraw/zinc/88/28/24/493882824.db2.gz SRTNBNAHPOKRAQ-CQSZACIVSA-N 0 0 357.793 3.119 50 0 FGAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2N)cc1 ZINC000004585991 493883757 /nfs/dbraw/zinc/88/37/57/493883757.db2.gz QQSJMLAERCTHEI-UHFFFAOYSA-N 0 0 359.480 3.014 50 0 FGAARN O=c1[nH]c(SCc2ccc(F)cc2)nc2c1nnn2Cc1ccccc1 ZINC000004626106 493884456 /nfs/dbraw/zinc/88/44/56/493884456.db2.gz KMGLDKQVUNEWJR-UHFFFAOYSA-N 0 0 367.409 3.407 50 0 FGAARN CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccccc2C)C1=O ZINC000004687751 493886671 /nfs/dbraw/zinc/88/66/71/493886671.db2.gz SXBQIAAOJNMZID-LFIBNONCSA-N 0 0 370.430 3.385 50 0 FGAARN COc1ccccc1N1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1 ZINC000004687674 493886927 /nfs/dbraw/zinc/88/69/27/493886927.db2.gz IDDMPJZICDABKQ-UHFFFAOYSA-N 0 0 363.461 3.307 50 0 FGAARN Cn1c(-c2ccc3c(c2)OCO3)cn2cc(-c3ccc4c(c3)OCO4)nc21 ZINC000004678518 493887078 /nfs/dbraw/zinc/88/70/78/493887078.db2.gz PHIFHGXHQJSVPU-UHFFFAOYSA-N 0 0 361.357 3.464 50 0 FGAARN CCOCCNC(=O)C(=O)c1cn(Cc2ccccc2F)c2ccccc12 ZINC000004709129 493888983 /nfs/dbraw/zinc/88/89/83/493888983.db2.gz BWPFGLMBZGPGCM-UHFFFAOYSA-N 0 0 368.408 3.164 50 0 FGAARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(NC(C)=O)cc3)nc2c1 ZINC000004705450 493889030 /nfs/dbraw/zinc/88/90/30/493889030.db2.gz FEGJEMIVDUEKSR-UHFFFAOYSA-N 0 0 370.434 3.261 50 0 FGAARN COc1ccc(N2C[C@H](C(=O)NCc3ccccc3Cl)CC2=O)cc1 ZINC000004731947 493889788 /nfs/dbraw/zinc/88/97/88/493889788.db2.gz LYWYAZREFWOIPE-CQSZACIVSA-N 0 0 358.825 3.018 50 0 FGAARN CN(C1CCCCC1)S(=O)(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000030421768 493890549 /nfs/dbraw/zinc/89/05/49/493890549.db2.gz MTWMEOLAXGHNDG-UHFFFAOYSA-N 0 0 367.515 3.002 50 0 FGAARN CC(C)C[C@H](C)N(C)C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000030424857 493890577 /nfs/dbraw/zinc/89/05/77/493890577.db2.gz PTFXFBWLJSRHBR-HNNXBMFYSA-N 0 0 366.527 3.414 50 0 FGAARN CCCCc1nnc(S[C@H](C)C(=O)Nc2ccc(C(=O)OC)cc2)[nH]1 ZINC000004776608 493891907 /nfs/dbraw/zinc/89/19/07/493891907.db2.gz 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